A0A087XIA0_POEFO Loading...

Tubulin delta chain

Acts as a positive regulator of hedgehog signaling and regulates ciliary function.

AlphaFold DB , UniProt , Accession A0A087XIA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 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
1M84.6Confident95.4Very high27 Ų2715.7 Ų15.713%0.1338%0.08CC..  0146.80-67.4-176.1148.700109.8E41 R42 M125 A127 R246 H247M1-E41 PolarHBondContact N-OE1 3.12Å; M1-R42 WeakPolarHBondContact O-CA 3.37Å; M1-M125 WeakPolarHBondContact CA-O 3.43Å; M1-M125 HydrophobicContact CB-CE 4.49Å; M1-M125 HydrophobicContact CE-CE 3.5Å; M1-M125 HydrophobicContact CE-CG 3.46Å; M1-M125 VanDerWaalsContact CE-CG 3.46Å; M1-M125 HydrophobicContact CE-SD 3.28Å; M1-M125 WeakPolarHBondContact CE-SD 3.47Å; M1-M125 HydrophobicContact CG-CB 4.3Å; M1-M125 HydrophobicContact CG-CE 3.22Å; M1-M125 HydrophobicContact CG-CG 3.83Å; M1-M125 HydrophobicContact CG-SD 4.1Å; M1-M125 HydrophobicContact SD-CE 4.12Å; M1-M125 HydrophobicContact SD-CG 4.3Å; M1-M125 HydrophobicContact SD-SD 4.49Å; M1-A127 HydrophobicContact CB-CB 3.74Å; M1-A127 HydrophobicContact CG-CB 4.45Å; M1-A127 HydrophobicContact SD-CB 3.78Å; M1-R246 VanDerWaalsContact CB-O 3.25Å; M1-R246 WeakPolarHBondContact CB-O 3.17Å; M1-H247 WeakPolarHBondContact CE-CE1 3.39Å; M1-H247 WeakPolarHBondContact CE-ND1 3.29Å; M1-H247 HydrophobicContact SD-CB 4.45Å; M1-H247 PolarHBondContact SD-CE1 3.49Å; M1-H247 PolarHBondContact SD-ND1 2.94Å
2S92.8Very high95.6Very high1 Ų114.4 Ų14.41%0.0077%0.074CC..EExtended strand (participates in β ladder)trans-93.1147.2-179.4-57.90000111.7E41 R42 R55 C123 M125 A127S2-E41 PolarHBondContact OG-O 2.77Å; S2-R42 WeakPolarHBondContact CA-O 3.22Å; S2-R55 PolarHBondContact OG-NE 2.61Å; S2-C123 WeakPolarHBondContact CB-SG 3.34Å; S2-M125 PolarHBondContact N-O 2.98Å; S2-A127 WeakPolarHBondContact O-CB 3.46Å; S2-A127 PolarHBondContact O-N 2.86Å
3V95.4Very high95.8Very high1 Ų113.3 Ų13.31%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-119.2132.1175.2173.30000107.6R42 F43 A127 I130 I249V3-R42 HydrophobicContact CB-CG 4.38Å; V3-R42 HydrophobicContact CG2-CG 3.96Å; V3-R42 PolarHBondContact N-O 2.8Å; V3-F43 HydrophobicContact CB-CD1 4.32Å; V3-F43 HydrophobicContact CB-CE1 3.9Å; V3-F43 HydrophobicContact CG1-CE1 3.98Å; V3-A127 HydrophobicContact CG2-CB 4.11Å; V3-I130 HydrophobicContact CG1-CD1 3.6Å; V3-I130 HydrophobicContact CG1-CG1 3.66Å; V3-I249 HydrophobicContact CB-CD1 4.4Å; V3-I249 HydrophobicContact CG1-CD1 3.75Å; V3-I249 HydrophobicContact CG2-CD1 3.72Å; V3-I249 HydrophobicContact CG2-CG1 4.26Å
4V97.5Very high95.9Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-102.3121.4176.3177.40000108.9E119 V120 L126 G128 F129 I130V4-E119 HydrophobicContact CG1-CB 4.35Å; V4-E119 HydrophobicContact CG1-CG 3.85Å; V4-E119 HydrophobicContact CG2-CG 4.08Å; V4-V120 HydrophobicContact CG2-CG2 4.4Å; V4-L126 HydrophobicContact CB-CD1 4.44Å; V4-L126 HydrophobicContact CG2-CD1 3.87Å; V4-G128 PolarHBondContact N-O 2.75Å; V4-F129 HydrophobicContact CB-CD1 3.9Å; V4-F129 HydrophobicContact CB-CE1 4.09Å; V4-F129 HydrophobicContact CG1-CD1 4.2Å; V4-F129 HydrophobicContact CG1-CE1 4.33Å; V4-F129 VanDerWaalsContact O-CA 3.31Å; V4-F129 WeakPolarHBondContact O-CA 3.37Å; V4-I130 PolarHBondContact O-N 2.78Å
5T98.2Very high96.1Very high0 Ų014.7 Ų14.70%07%0.074CC..EExtended strand (participates in β ladder)trans-89.2135.3173.2730000110.3Q7 F20 R55 A56 V57 I130T5-Q7 PolarHBondContact OG1-NE2 2.76Å; T5-F20 HydrophobicContact CG2-CE2 3.74Å; T5-F20 HydrophobicContact CG2-CZ 3.89Å; T5-F20 VanDerWaalsContact OG1-CE2 3.27Å; T5-F20 WeakPolarHBondContact OG1-CE2 3.33Å; T5-R55 PolarHBondContact N-O 3.33Å; T5-A56 CarbonylContact O-C 3.45Å; T5-A56 VanDerWaalsContact O-CA 3.27Å; T5-A56 WeakPolarHBondContact O-CA 3.4Å; T5-A56 WeakPolarHBondContact OG1-CB 3.43Å; T5-V57 PolarHBondContact O-N 2.75Å; T5-I130 CarbonylContact C-O 3.58Å; T5-I130 VanDerWaalsContact CA-O 3.3Å; T5-I130 WeakPolarHBondContact CA-O 3.18Å; T5-I130 HydrophobicContact CG2-CB 4.45Å
6V98.4Very high96.2Very high0 Ų013.8 Ų13.80%07%0.069CC..EExtended strand (participates in β ladder)trans-112.8103.9175.1-173.10000108.2L8 I59 F129 I130 P131 I132 I147 L151V6-L8 HydrophobicContact CG1-CD1 4.07Å; V6-L8 HydrophobicContact CG1-CD2 4.21Å; V6-L8 HydrophobicContact CG1-CG 4.05Å; V6-I59 HydrophobicContact CG1-CD1 4.03Å; V6-F129 HydrophobicContact CG2-CD1 4.36Å; V6-I130 PolarHBondContact N-O 3.07Å; V6-P131 HydrophobicContact CB-CB 4.42Å; V6-P131 CarbonylContact O-C 3.54Å; V6-P131 VanDerWaalsContact O-CA 3.26Å; V6-P131 WeakPolarHBondContact O-CA 3.2Å; V6-I132 PolarHBondContact O-N 2.86Å; V6-I147 HydrophobicContact CG1-CG2 4.11Å; V6-L151 HydrophobicContact CG2-CD1 4.12Å
7Q98.4Very high96.3Very high0 Ų013.2 Ų13.20%07%0.066CC..EExtended strand (participates in β ladder)trans-94.4115.6-170.1-58.7178.11100109.5T5 N13 V57 L58 I59 Y81T5-Q7 PolarHBondContact OG1-NE2 2.76Å; Q7-N13 WeakPolarHBondContact CB-OD1 3.22Å; Q7-N13 PolarHBondContact O-OD1 3.06Å; Q7-V57 PolarHBondContact N-O 2.78Å; Q7-L58 HydrophobicContact CB-CG 4.47Å; Q7-I59 PolarHBondContact O-N 2.83Å; Q7-Y81 PolarHBondContact OE1-OH 3.41Å
8L97.8Very high96.4Very high0 Ų013.6 Ų13.60%07%0.067CC..EExtended strand (participates in β ladder)trans-120.8122.9-162.3-69.5155000112.5V6 G12 I59 P131 I132 M133 I147V6-L8 HydrophobicContact CG1-CD1 4.07Å; V6-L8 HydrophobicContact CG1-CD2 4.21Å; V6-L8 HydrophobicContact CG1-CG 4.05Å; L8-G12 WeakPolarHBondContact O-CA 3.38Å; L8-G12 PolarHBondContact O-N 3.05Å; L8-I59 WeakPolarHBondContact CA-O 3.3Å; L8-I59 HydrophobicContact CD2-CB 3.89Å; L8-I59 HydrophobicContact CD2-CD1 4.19Å; L8-I59 HydrophobicContact CD2-CG2 4.16Å; L8-P131 HydrophobicContact CD1-CB 4.01Å; L8-I132 PolarHBondContact N-O 2.95Å; L8-M133 HydrophobicContact CB-CB 3.95Å; L8-M133 HydrophobicContact CD1-CE 3.72Å; L8-I147 HydrophobicContact CD2-CB 4.44Å; L8-I147 HydrophobicContact CD2-CD1 3.44Å; L8-I147 VanDerWaalsContact CD2-CD1 3.44Å
9G96.1Very high96.5Very high1 Ų112.8 Ų12.81%0.016%0.064CC..Hα-helixtrans65.3-175.2-179.200000113.7C11 G12 N13 I59 D60G9-C11 PolarHBondContact O-N 3Å; G9-G12 PolarHBondContact O-N 3.24Å; G9-N13 WeakPolarHBondContact O-CB 3.39Å; G9-N13 PolarHBondContact O-N 3.33Å; G9-N13 PolarHBondContact O-ND2 3.46Å; G9-I59 PolarHBondContact N-O 2.85Å; G9-D60 VanDerWaalsContact C-OD2 3.23Å
10Q94.9Very high96.6Very high115 Ų11512.2 Ų12.254%0.5376%0.061SC..Hα-helixtrans-57.1-49.1-173.8174.1172.5-25.900113.3Q14 D60 V65Q10-Q14 VanDerWaalsContact CG-NE2 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.28Å; Q10-Q14 WeakPolarHBondContact O-CG 3.31Å; Q10-Q14 PolarHBondContact O-N 3.43Å; Q10-D60 PolarHBondContact N-OD2 2.81Å; Q10-D60 VanDerWaalsContact N-OD2 3.08Å; Q10-V65 HydrophobicContact CB-CG2 4.1Å; Q10-V65 HydrophobicContact CG-CG1 4.45Å; Q10-V65 HydrophobicContact CG-CG2 3.81Å
11C95.7Very high96.6Very high28 Ų2812.5 Ų12.519%0.1896%0.062CC..Hα-helixtrans-66.6-47.9-178.4179.20000111.4G9 N13 Q14 V15 T165G9-C11 PolarHBondContact O-N 3Å; C11-N13 PolarHBondContact O-N 2.89Å; C11-Q14 PolarHBondContact O-N 2.89Å; C11-V15 WeakPolarHBondContact O-CG2 3.32Å; C11-V15 PolarHBondContact O-N 2.96Å; C11-T165 PolarHBondContact SG-OG1 3.06Å; C11-T165 VanDerWaalsContact SG-OG1 3.41Å
12G97.6Very high97.1Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-59.7-43.9-17800000113.3L8 G9 G16 I132L8-G12 WeakPolarHBondContact O-CA 3.38Å; L8-G12 PolarHBondContact O-N 3.05Å; G9-G12 PolarHBondContact O-N 3.24Å; G12-G16 PolarHBondContact O-N 2.88Å; G12-I132 WeakPolarHBondContact CA-O 3.44Å
13N98Very high97.3Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-64.6-39.8177.1-73.7-62000112.8Q7 G9 C11 Q17 L58 I59 V65Q7-N13 WeakPolarHBondContact CB-OD1 3.22Å; Q7-N13 PolarHBondContact O-OD1 3.06Å; G9-N13 WeakPolarHBondContact O-CB 3.39Å; G9-N13 PolarHBondContact O-N 3.33Å; G9-N13 PolarHBondContact O-ND2 3.46Å; C11-N13 PolarHBondContact O-N 2.89Å; N13-Q17 WeakPolarHBondContact O-CB 3.02Å; N13-Q17 PolarHBondContact O-N 3.46Å; N13-L58 VanDerWaalsContact OD1-CB 3.27Å; N13-L58 WeakPolarHBondContact OD1-CB 3.17Å; N13-L58 WeakPolarHBondContact OD1-CG 3.47Å; N13-I59 PolarHBondContact ND2-O 2.93Å; N13-V65 HydrophobicContact CB-CG1 3.94Å
14Q97.7Very high97.2Very high48 Ų4811.8 Ų11.822%0.2246%0.06CC..Hα-helixtrans-72.3-42.1179.3-66.5176.426.700112.6Q10 C11 Q17 E18 V65 N221Q10-Q14 VanDerWaalsContact CG-NE2 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.28Å; Q10-Q14 WeakPolarHBondContact O-CG 3.31Å; Q10-Q14 PolarHBondContact O-N 3.43Å; C11-Q14 PolarHBondContact O-N 2.89Å; Q14-Q17 PolarHBondContact O-N 2.8Å; Q14-E18 PolarHBondContact O-N 3.35Å; Q14-V65 HydrophobicContact CG-CG1 3.82Å; Q14-N221 VanDerWaalsContact CB-ND2 3.34Å; Q14-N221 WeakPolarHBondContact CB-ND2 3.47Å; Q14-N221 PolarHBondContact OE1-ND2 2.83Å
15V98.3Very high97.1Very high0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-64.3-44.9174.6172.10000110.4C11 Q17 E18 L19 I132 N221 I224 L228C11-V15 WeakPolarHBondContact O-CG2 3.32Å; C11-V15 PolarHBondContact O-N 2.96Å; V15-Q17 VanDerWaalsContact C-N 3.34Å; V15-Q17 PolarHBondContact O-N 2.89Å; V15-E18 PolarHBondContact O-N 3.21Å; V15-L19 VanDerWaalsContact O-CB 3.29Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.25Å; V15-I132 HydrophobicContact CB-CG2 4.12Å; V15-I132 HydrophobicContact CG1-CG2 3.93Å; V15-N221 HydrophobicContact CG2-CB 4.3Å; V15-N221 WeakPolarHBondContact CG2-OD1 3.49Å; V15-I224 HydrophobicContact CG1-CB 4.47Å; V15-I224 HydrophobicContact CG1-CG2 3.7Å; V15-I224 HydrophobicContact CG2-CD1 4.43Å; V15-L228 HydrophobicContact CG1-CD1 4.19Å
16G98Very high96.8Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-58.9-43.9177.500000112.5G12 L19 F20G12-G16 PolarHBondContact O-N 2.88Å; G16-L19 WeakPolarHBondContact O-CB 3.46Å; G16-L19 PolarHBondContact O-N 3.4Å; G16-F20 WeakPolarHBondContact O-CD2 3.45Å; G16-F20 PolarHBondContact O-N 3.3Å
17Q97.8Very high96.4Very high4 Ų416.4 Ų16.42%0.0199%0.091CC..Hα-helixtrans-60.5-48.1177.1-171-77.3-52.400112.5N13 Q14 V15 L19 F20 D21 K72 W79 Y81N13-Q17 WeakPolarHBondContact O-CB 3.02Å; N13-Q17 PolarHBondContact O-N 3.46Å; Q14-Q17 PolarHBondContact O-N 2.8Å; V15-Q17 VanDerWaalsContact C-N 3.34Å; V15-Q17 PolarHBondContact O-N 2.89Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.25Å; Q17-F20 PolarHBondContact O-N 3.3Å; Q17-D21 PolarHBondContact NE2-OD2 3.39Å; Q17-D21 PolarHBondContact O-N 3.12Å; Q17-D21 VanDerWaalsContact O-N 3.12Å; Q17-K72 VanDerWaalsContact OE1-CD 3.29Å; Q17-W79 HydrophobicContact CG-CH2 4.4Å; Q17-W79 HydrophobicContact CG-CZ2 4.5Å; Q17-Y81 WeakPolarHBondContact CA-OH 3.46Å; Q17-Y81 WeakPolarHBondContact CB-OH 3.47Å; Q17-Y81 HydrophobicContact CG-CE2 4.38Å; Q17-Y81 PolarHBondContact N-OH 2.94Å
18E98Very high95.6Very high19 Ų1922.6 Ų22.69%0.08911%0.114CC..Hα-helixtrans-62.9-38.2176.2-70.3-67.5167.900111.6Q14 V15 D21 V22 K72 S218 N221 A225Q14-E18 PolarHBondContact O-N 3.35Å; V15-E18 PolarHBondContact O-N 3.21Å; E18-D21 WeakPolarHBondContact O-CB 3.5Å; E18-D21 PolarHBondContact O-N 3.28Å; E18-V22 WeakPolarHBondContact O-CG2 3.23Å; E18-V22 PolarHBondContact O-N 3Å; E18-K72 IonicContact OE1-NZ 3.43Å; E18-K72 PolarHBondContact OE1-NZ 2.98Å; E18-S218 PolarHBondContact OE1-OG 3.46Å; E18-N221 HydrophobicContact CB-CB 4.46Å; E18-N221 HydrophobicContact CG-CB 3.92Å; E18-A225 HydrophobicContact CB-CB 3.74Å
19L98.1Very high94.6Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-60.9-48.2177.2175.360.6000111.7V15 G16 Q17 D21 V22 M23 I132 A225 L228 L232V15-L19 VanDerWaalsContact O-CB 3.29Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.25Å; G16-L19 WeakPolarHBondContact O-CB 3.46Å; G16-L19 PolarHBondContact O-N 3.4Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.25Å; L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 2.74Å; L19-V22 PolarHBondContact O-N 2.83Å; L19-M23 HydrophobicContact CD1-CE 3.73Å; L19-M23 HydrophobicContact CD1-CG 4.07Å; L19-M23 HydrophobicContact CD1-SD 4.4Å; L19-M23 HydrophobicContact CD2-CE 3.71Å; L19-M23 HydrophobicContact CG-CE 3.38Å; L19-M23 HydrophobicContact CG-CG 4.49Å; L19-M23 VanDerWaalsContact O-CG 3.28Å; L19-M23 WeakPolarHBondContact O-CG 3.14Å; L19-M23 PolarHBondContact O-N 3.2Å; L19-I132 HydrophobicContact CD2-CD1 3.83Å; L19-A225 HydrophobicContact CB-CB 4.21Å; L19-L228 HydrophobicContact CD1-CB 3.68Å; L19-L228 HydrophobicContact CD2-CB 4.41Å; L19-L228 HydrophobicContact CD2-CD1 4.06Å; L19-L232 HydrophobicContact CD2-CD1 4.38Å
20F97.9Very high93.1Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-64.6-33.4176.4-87.1-88.7000112.7T5 G16 Q17 M23 C24 F43 F44 A54 A56 W79T5-F20 HydrophobicContact CG2-CE2 3.74Å; T5-F20 HydrophobicContact CG2-CZ 3.89Å; T5-F20 VanDerWaalsContact OG1-CE2 3.27Å; T5-F20 WeakPolarHBondContact OG1-CE2 3.33Å; G16-F20 WeakPolarHBondContact O-CD2 3.45Å; G16-F20 PolarHBondContact O-N 3.3Å; Q17-F20 PolarHBondContact O-N 3.3Å; F20-M23 PolarHBondContact O-N 3.2Å; F20-C24 WeakPolarHBondContact O-CB 3.5Å; F20-C24 PolarHBondContact O-N 3.1Å; F20-F43 HydrophobicContact CE1-CB 4.08Å; F20-F43 WeakPolarHBondContact CE1-O 3.24Å; F20-F44 HydrophobicContact CD1-CD1 4.41Å; F20-F44 AromaticContact CD1-CE1 3.62Å; F20-F44 HydrophobicContact CD1-CE1 3.62Å; F20-F44 HydrophobicContact CD1-CE2 4.47Å; F20-F44 AromaticContact CD1-CZ 3.64Å; F20-F44 HydrophobicContact CD1-CZ 3.64Å; F20-F44 HydrophobicContact CE1-CE1 4.23Å; F20-F44 HydrophobicContact CE1-CZ 4.33Å; F20-A54 HydrophobicContact CD1-CB 3.47Å; F20-A54 VanDerWaalsContact CD1-CB 3.47Å; F20-A54 HydrophobicContact CE1-CB 3.38Å; F20-A54 HydrophobicContact CG-CB 4.12Å; F20-A54 HydrophobicContact CZ-CB 3.98Å; F20-A56 HydrophobicContact CE2-CB 3.85Å; F20-A56 HydrophobicContact CZ-CB 3.86Å; F20-W79 HydrophobicContact CB-CD2 4.24Å; F20-W79 HydrophobicContact CB-CE3 4.2Å; F20-W79 HydrophobicContact CB-CH2 3.4Å; F20-W79 HydrophobicContact CB-CZ2 3.43Å; F20-W79 VanDerWaalsContact CB-CZ2 3.43Å; F20-W79 HydrophobicContact CB-CZ3 3.81Å; F20-W79 HydrophobicContact CG-CH2 4.19Å; F20-W79 HydrophobicContact CG-CZ3 4.22Å
21D96.7Very high92Very high18 Ų1833.2 Ų33.210%0.09617%0.172CC..Hα-helixtrans-62.3-43.2171.9-94-23.6000112.3Q17 E18 L19 S25 R78 W79Q17-D21 PolarHBondContact NE2-OD2 3.39Å; Q17-D21 PolarHBondContact O-N 3.12Å; Q17-D21 VanDerWaalsContact O-N 3.12Å; E18-D21 WeakPolarHBondContact O-CB 3.5Å; E18-D21 PolarHBondContact O-N 3.28Å; L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 2.74Å; D21-S25 VanDerWaalsContact O-CB 3.31Å; D21-S25 WeakPolarHBondContact O-CB 3.23Å; D21-S25 PolarHBondContact O-N 3.02Å; D21-R78 VanDerWaalsContact CG-NH2 3.28Å; D21-R78 IonicContact OD1-CZ 3.67Å; D21-R78 IonicContact OD1-NH2 2.71Å; D21-R78 PolarHBondContact OD1-NH2 2.84Å; D21-R78 IonicContact OD2-NH2 3.65Å; D21-W79 PolarHBondContact OD1-NE1 2.98Å
22V96.1Very high91.5Very high14 Ų1435.7 Ų35.79%0.08518%0.178CC..Hα-helixtrans-64.5-48.6175.6170.70000110.5E18 L19 C24 S25 D26 A225 F376E18-V22 WeakPolarHBondContact O-CG2 3.23Å; E18-V22 PolarHBondContact O-N 3Å; L19-V22 PolarHBondContact O-N 2.83Å; V22-C24 PolarHBondContact O-N 3.38Å; V22-S25 PolarHBondContact O-N 3.18Å; V22-D26 WeakPolarHBondContact O-CB 2.92Å; V22-D26 PolarHBondContact O-N 3.2Å; V22-A225 HydrophobicContact CG2-CB 3.93Å; V22-F376 HydrophobicContact CG1-CE2 4.05Å; V22-F376 HydrophobicContact CG1-CZ 3.71Å
23M95.9Very high91Very high0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-63.8-42.9-178.7-67.5-154.3-102.900112.5L19 F20 D26 A27 F43 F44 Q233L19-M23 HydrophobicContact CD1-CE 3.73Å; L19-M23 HydrophobicContact CD1-CG 4.07Å; L19-M23 HydrophobicContact CD1-SD 4.4Å; L19-M23 HydrophobicContact CD2-CE 3.71Å; L19-M23 HydrophobicContact CG-CE 3.38Å; L19-M23 HydrophobicContact CG-CG 4.49Å; L19-M23 VanDerWaalsContact O-CG 3.28Å; L19-M23 WeakPolarHBondContact O-CG 3.14Å; L19-M23 PolarHBondContact O-N 3.2Å; F20-M23 PolarHBondContact O-N 3.2Å; M23-D26 PolarHBondContact O-N 2.85Å; M23-A27 WeakPolarHBondContact O-CB 3.42Å; M23-A27 PolarHBondContact O-N 3.06Å; M23-F43 HydrophobicContact CE-CD1 3.7Å; M23-F43 HydrophobicContact CE-CD2 4.17Å; M23-F43 HydrophobicContact CE-CE1 3.81Å; M23-F43 HydrophobicContact CE-CE2 4.23Å; M23-F43 HydrophobicContact CE-CG 3.9Å; M23-F43 HydrophobicContact CE-CZ 4.09Å; M23-F43 HydrophobicContact SD-CB 4.36Å; M23-F43 HydrophobicContact SD-CD1 3.89Å; M23-F43 HydrophobicContact SD-CD2 3.23Å; M23-F43 WeakPolarHBondContact SD-CD2 3.32Å; M23-F43 HydrophobicContact SD-CE1 3.94Å; M23-F43 HydrophobicContact SD-CE2 3.25Å; M23-F43 WeakPolarHBondContact SD-CE2 3.47Å; M23-F43 HydrophobicContact SD-CG 3.55Å; M23-F43 VanDerWaalsContact SD-CG 3.55Å; M23-F43 HydrophobicContact SD-CZ 3.65Å; M23-F44 HydrophobicContact CB-CE2 4.3Å; M23-Q233 VanDerWaalsContact CB-NE2 3.28Å; M23-Q233 VanDerWaalsContact CG-NE2 3.26Å
24C95.2Very high90.6Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-64.6-40.5175.7-174.20000111.7F20 V22 D26 R28 F44 W79F20-C24 WeakPolarHBondContact O-CB 3.5Å; F20-C24 PolarHBondContact O-N 3.1Å; V22-C24 PolarHBondContact O-N 3.38Å; C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.02Å; C24-R28 WeakPolarHBondContact O-CB 3.47Å; C24-R28 WeakPolarHBondContact O-CD 3.48Å; C24-R28 WeakPolarHBondContact O-CG 3.15Å; C24-R28 PolarHBondContact O-N 3.27Å; C24-R28 PolarHBondContact SG-NE 3.16Å; C24-R28 VanDerWaalsContact SG-NE 3.37Å; C24-F44 HydrophobicContact CB-CE1 4.29Å; C24-F44 HydrophobicContact CB-CE2 4.34Å; C24-F44 HydrophobicContact CB-CZ 3.67Å; C24-W79 HydrophobicContact CB-CG 4.2Å
25S93.5Very high90.4Very high74 Ų7446.3 Ų46.352%0.51723%0.231SC..Hα-helixtrans-63.9-38.8176.9-167.40000112.5D21 V22D21-S25 VanDerWaalsContact O-CB 3.31Å; D21-S25 WeakPolarHBondContact O-CB 3.23Å; D21-S25 PolarHBondContact O-N 3.02Å; V22-S25 PolarHBondContact O-N 3.18Å
26D93.4Very high90.1Very high21 Ų2147.1 Ų47.111%0.11224%0.237CC..Hα-helixtrans-75.5-34.3-177.9-171.969.2000112.5V22 M23 C24 R28 Y35 Q233 R339 F376V22-D26 WeakPolarHBondContact O-CB 2.92Å; V22-D26 PolarHBondContact O-N 3.2Å; M23-D26 PolarHBondContact O-N 2.85Å; C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.02Å; D26-R28 VanDerWaalsContact C-N 3.32Å; D26-R28 PolarHBondContact O-N 3.3Å; D26-Y35 WeakPolarHBondContact OD2-CE1 3.28Å; D26-Y35 PolarHBondContact OD2-OH 3.21Å; D26-Q233 WeakPolarHBondContact OD2-CG 3.42Å; D26-Q233 PolarHBondContact OD2-OE1 3.13Å; D26-Q233 VanDerWaalsContact OD2-OE1 3.13Å; D26-R339 IonicContact OD2-NH2 3.77Å; D26-F376 HydrophobicContact CB-CD2 4.39Å; D26-F376 HydrophobicContact CB-CE2 4.26Å; D26-F376 VanDerWaalsContact OD1-CD2 3.28Å; D26-F376 WeakPolarHBondContact OD1-CD2 3.49Å
27A90.2Very high89.8Confident3 Ų349.9 Ų49.93%0.02526%0.26CS..Hα-helixtrans-72.6-18.8177.200000114.1M23 D29 S36M23-A27 WeakPolarHBondContact O-CB 3.42Å; M23-A27 PolarHBondContact O-N 3.06Å; A27-D29 VanDerWaalsContact C-N 3.33Å; A27-D29 PolarHBondContact O-N 3.26Å; A27-D29 VanDerWaalsContact O-N 3.15Å; A27-S36 WeakPolarHBondContact O-CB 3.41Å; A27-S36 PolarHBondContact O-OG 3.06Å
28R81.3Confident89.6Confident130 Ų13050.4 Ų50.449%0.49126%0.263SS..  trans-8940.8-168.4-80.9176.7164.4-132.7-7.7115.4C24 D26 R78C24-R28 WeakPolarHBondContact O-CB 3.47Å; C24-R28 WeakPolarHBondContact O-CD 3.48Å; C24-R28 WeakPolarHBondContact O-CG 3.15Å; C24-R28 PolarHBondContact O-N 3.27Å; C24-R28 PolarHBondContact SG-NE 3.16Å; C24-R28 VanDerWaalsContact SG-NE 3.37Å; D26-R28 VanDerWaalsContact C-N 3.32Å; D26-R28 PolarHBondContact O-N 3.3Å; R28-R78 VanDerWaalsContact CZ-O 3.31Å; R28-R78 PolarHBondContact NH2-O 2.91Å
29D76.3Confident89.4Confident45 Ų4549.5 Ų49.524%0.24126%0.259CS..  trans-100.5114.9174-170.8-19000112.1A27 H31 R32 S36A27-D29 VanDerWaalsContact C-N 3.33Å; A27-D29 PolarHBondContact O-N 3.26Å; A27-D29 VanDerWaalsContact O-N 3.15Å; D29-H31 PolarHBondContact O-N 2.71Å; D29-H31 WeakPolarHBondContact OD1-CB 3.48Å; D29-H31 IonicContact OD1-CD2 3.81Å; D29-H31 IonicContact OD1-CG 3.21Å; D29-H31 PolarHBondContact OD1-N 3.48Å; D29-R32 HydrophobicContact CB-CB 4.22Å; D29-R32 HydrophobicContact CB-CG 4.19Å; D29-R32 PolarHBondContact O-N 3.4Å; D29-R32 VanDerWaalsContact O-N 3.09Å; D29-R32 VanDerWaalsContact OD2-CD 3.28Å; D29-R32 WeakPolarHBondContact OD2-CD 3.45Å; D29-R32 IonicContact OD2-CZ 3.93Å; D29-R32 IonicContact OD2-NE 3.7Å; D29-R32 PolarHBondContact OD2-NE 3.1Å; D29-R32 VanDerWaalsContact OD2-NE 3.09Å; D29-R32 IonicContact OD2-NH1 3.91Å; D29-R32 PolarHBondContact OD2-NH1 3.25Å; D29-R32 IonicContact OD2-NH2 2.61Å; D29-S36 PolarHBondContact O-OG 3.17Å
30V63.7Low89.1Confident119 Ų11950.9 Ų50.972%0.72127%0.269SS*.THydrogen-bonded Turntrans-61.2-27.5-178-1780000112.4R32V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.81Å
31H71.7Confident88.8Confident174 Ų17454 Ų5481%0.80628%0.284SS*.THydrogen-bonded Turntrans-82.1-9-178.8-60.1-70.8000112.9D29D29-H31 PolarHBondContact O-N 2.71Å; D29-H31 WeakPolarHBondContact OD1-CB 3.48Å; D29-H31 IonicContact OD1-CD2 3.81Å; D29-H31 IonicContact OD1-CG 3.21Å; D29-H31 PolarHBondContact OD1-N 3.48Å
32R85.2Confident88.7Confident81 Ų8153.3 Ų53.331%0.30628%0.279SS..  trans-121.648.9-170.4-57.4-178.3-177.3154.48.6113.2D29 V30 T34 Y35 S36 P375D29-R32 HydrophobicContact CB-CB 4.22Å; D29-R32 HydrophobicContact CB-CG 4.19Å; D29-R32 PolarHBondContact O-N 3.4Å; D29-R32 VanDerWaalsContact O-N 3.09Å; D29-R32 VanDerWaalsContact OD2-CD 3.28Å; D29-R32 WeakPolarHBondContact OD2-CD 3.45Å; D29-R32 IonicContact OD2-CZ 3.93Å; D29-R32 IonicContact OD2-NE 3.7Å; D29-R32 PolarHBondContact OD2-NE 3.1Å; D29-R32 VanDerWaalsContact OD2-NE 3.09Å; D29-R32 IonicContact OD2-NH1 3.91Å; D29-R32 PolarHBondContact OD2-NH1 3.25Å; D29-R32 IonicContact OD2-NH2 2.61Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.81Å; R32-T34 VanDerWaalsContact C-N 3.34Å; R32-T34 PolarHBondContact O-N 3.16Å; R32-T34 VanDerWaalsContact O-N 3.14Å; R32-Y35 WeakPolarHBondContact O-CB 3.29Å; R32-Y35 PolarHBondContact O-N 2.97Å; R32-S36 PolarHBondContact O-N 3.13Å; R32-S36 PolarHBondContact O-OG 2.87Å; R32-P375 VanDerWaalsContact NH2-CD 3.34Å
33K87.6Confident88.7Confident167 Ų16752.7 Ų52.773%0.72628%0.275SS*.Hα-helixtrans-47.3-47.5-172.9-64.6-174.4179.9-179.10114.7A37K33-A37 VanDerWaalsContact O-CB 3.31Å; K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3.28Å
34T91.1Very high88.6Confident101 Ų10152.9 Ų52.962%0.6228%0.276SS*.Hα-helixtrans-65.6-44-178.5-48.50000112.2R32 A37 V38 Y244R32-T34 VanDerWaalsContact C-N 3.34Å; R32-T34 PolarHBondContact O-N 3.16Å; R32-T34 VanDerWaalsContact O-N 3.14Å; T34-A37 PolarHBondContact O-N 2.88Å; T34-V38 WeakPolarHBondContact O-CG2 3.35Å; T34-V38 PolarHBondContact O-N 3.04Å; T34-V38 VanDerWaalsContact O-N 3.11Å; T34-Y244 HydrophobicContact CG2-CD2 4.23Å; T34-Y244 HydrophobicContact CG2-CE2 4.45Å
35Y92.4Very high88.5Confident2 Ų256.3 Ų56.31%0.00829%0.289CS..Hα-helixtrans-62.3-49.5177.5176.1-92.5000111.1D26 R32 A37 V38 S39 Q233 P234 Y244 R339 V374D26-Y35 WeakPolarHBondContact OD2-CE1 3.28Å; D26-Y35 PolarHBondContact OD2-OH 3.21Å; R32-Y35 WeakPolarHBondContact O-CB 3.29Å; R32-Y35 PolarHBondContact O-N 2.97Å; Y35-A37 VanDerWaalsContact C-N 3.31Å; Y35-A37 PolarHBondContact O-N 3.34Å; Y35-V38 PolarHBondContact O-N 3.36Å; Y35-S39 PolarHBondContact O-N 2.89Å; Y35-Q233 WeakPolarHBondContact OH-CB 3.43Å; Y35-Q233 PolarHBondContact OH-OE1 3.43Å; Y35-P234 HydrophobicContact CD2-CB 3.84Å; Y35-P234 HydrophobicContact CD2-CG 4.16Å; Y35-P234 HydrophobicContact CE2-CB 3.65Å; Y35-P234 HydrophobicContact CE2-CG 3.86Å; Y35-P234 WeakPolarHBondContact CE2-O 3.36Å; Y35-Y244 HydrophobicContact CD2-CD1 4.44Å; Y35-Y244 AromaticContact CD2-CE1 3.89Å; Y35-Y244 HydrophobicContact CD2-CE1 3.89Å; Y35-Y244 HydrophobicContact CD2-CE2 4.16Å; Y35-Y244 AromaticContact CD2-CZ 3.74Å; Y35-R339 PolarHBondContact OH-NH2 3.2Å; Y35-V374 HydrophobicContact CD1-CG1 4.06Å; Y35-V374 HydrophobicContact CD1-CG2 4.5Å; Y35-V374 HydrophobicContact CD2-CB 4.13Å; Y35-V374 HydrophobicContact CD2-CG1 4.2Å; Y35-V374 HydrophobicContact CD2-CG2 3.63Å; Y35-V374 HydrophobicContact CE1-CG1 3.87Å; Y35-V374 HydrophobicContact CE2-CB 4.04Å; Y35-V374 HydrophobicContact CE2-CG1 3.99Å; Y35-V374 HydrophobicContact CE2-CG2 4.06Å; Y35-V374 HydrophobicContact CG-CG1 4.23Å; Y35-V374 HydrophobicContact CG-CG2 3.87Å
36S92.3Very high88.4Confident18 Ų1859.6 Ų59.613%0.12630%0.296CS..Hα-helixtrans-57.1-44.1176.7-60.90000111.8A27 D29 R32 S39 C40A27-S36 WeakPolarHBondContact O-CB 3.41Å; A27-S36 PolarHBondContact O-OG 3.06Å; D29-S36 PolarHBondContact O-OG 3.17Å; R32-S36 PolarHBondContact O-N 3.13Å; R32-S36 PolarHBondContact O-OG 2.87Å; S36-S39 PolarHBondContact O-N 3.47Å; S36-C40 VanDerWaalsContact O-CB 3.23Å; S36-C40 WeakPolarHBondContact O-CB 3.38Å; S36-C40 PolarHBondContact O-N 3.31Å; S36-C40 PolarHBondContact O-SG 3.23Å
37A91.7Very high88Confident58 Ų5859.5 Ų59.548%0.47930%0.297SS..Hα-helixtrans-61.1-46.8178.300000111.8K33 T34 Y35 C40 E41K33-A37 VanDerWaalsContact O-CB 3.31Å; K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3.28Å; T34-A37 PolarHBondContact O-N 2.88Å; Y35-A37 VanDerWaalsContact C-N 3.31Å; Y35-A37 PolarHBondContact O-N 3.34Å; A37-C40 PolarHBondContact O-N 3.34Å; A37-E41 VanDerWaalsContact O-CB 3.27Å; A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 2.87Å
38V92.6Very high87.7Confident14 Ų1466.7 Ų66.79%0.08534%0.34CS..Hα-helixtrans-67.3-39.3179.8177.60000111.7T34 Y35 R42 P234T34-V38 WeakPolarHBondContact O-CG2 3.35Å; T34-V38 PolarHBondContact O-N 3.04Å; T34-V38 VanDerWaalsContact O-N 3.11Å; Y35-V38 PolarHBondContact O-N 3.36Å; V38-R42 VanDerWaalsContact O-CB 3.27Å; V38-R42 WeakPolarHBondContact O-CB 3.06Å; V38-R42 PolarHBondContact O-N 3Å; V38-P234 HydrophobicContact CB-CB 4.38Å; V38-P234 HydrophobicContact CB-CG 4.09Å; V38-P234 HydrophobicContact CG1-CB 4.02Å; V38-P234 HydrophobicContact CG1-CG 3.88Å
39S93.6Very high87.7Confident0 Ų068.5 Ų68.50%036%0.355CS..Hα-helixtrans-65-45.6175.6-171.10000111.8Y35 S36 R42 F43 Q233Y35-S39 PolarHBondContact O-N 2.89Å; S36-S39 PolarHBondContact O-N 3.47Å; S39-R42 PolarHBondContact O-N 3.36Å; S39-F43 PolarHBondContact O-N 2.92Å; S39-Q233 VanDerWaalsContact OG-CD 3.29Å; S39-Q233 PolarHBondContact OG-NE2 3.07Å; S39-Q233 VanDerWaalsContact OG-NE2 3.11Å; S39-Q233 PolarHBondContact OG-OE1 3.04Å
40C92.9Very high88Confident30 Ų3068.1 Ų68.120%0.20336%0.361CS..Hα-helixtrans-63.8-49.3176.9-74.50000112S36 A37 R42 F43 F44S36-C40 VanDerWaalsContact O-CB 3.23Å; S36-C40 WeakPolarHBondContact O-CB 3.38Å; S36-C40 PolarHBondContact O-N 3.31Å; S36-C40 PolarHBondContact O-SG 3.23Å; A37-C40 PolarHBondContact O-N 3.34Å; C40-R42 PolarHBondContact O-N 3Å; C40-F43 PolarHBondContact O-N 3.04Å; C40-F44 CarbonylContact O-C 3.53Å; C40-F44 VanDerWaalsContact O-CA 3.31Å; C40-F44 WeakPolarHBondContact O-CA 3.49Å; C40-F44 WeakPolarHBondContact O-CB 3.34Å; C40-F44 PolarHBondContact O-N 3.42Å
41E92.1Very high89.2Confident66 Ų6664.3 Ų64.331%0.30834%0.342SS..Hα-helixtrans-54.1-38.2177.5-173.9-161.7139.400111.7M1 S2 A37 R55M1-E41 PolarHBondContact N-OE1 3.12Å; S2-E41 PolarHBondContact OG-O 2.77Å; A37-E41 VanDerWaalsContact O-CB 3.27Å; A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 2.87Å; E41-R55 PolarHBondContact O-NE 2.81Å
42R93.9Very high90.3Very high3 Ų356.9 Ų56.91%0.01131%0.308CS..Hα-helixtrans-69.3-47-176.7-170.6179.2-67-177.3-2.6112.9M1 S2 V3 V38 S39 C40 L232 S245 P248M1-R42 WeakPolarHBondContact O-CA 3.37Å; S2-R42 WeakPolarHBondContact CA-O 3.22Å; V3-R42 HydrophobicContact CB-CG 4.38Å; V3-R42 HydrophobicContact CG2-CG 3.96Å; V3-R42 PolarHBondContact N-O 2.8Å; V38-R42 VanDerWaalsContact O-CB 3.27Å; V38-R42 WeakPolarHBondContact O-CB 3.06Å; V38-R42 PolarHBondContact O-N 3Å; S39-R42 PolarHBondContact O-N 3.36Å; C40-R42 PolarHBondContact O-N 3Å; R42-L232 PolarHBondContact NH1-O 3.21Å; R42-S245 PolarHBondContact NH2-O 3.2Å; R42-P248 VanDerWaalsContact CZ-CG 3.43Å
43F95.4Very high90.8Very high0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-117-15.3-169.5-65.2-68.4000114.9V3 F20 M23 S39 C40 R55 L232V3-F43 HydrophobicContact CB-CD1 4.32Å; V3-F43 HydrophobicContact CB-CE1 3.9Å; V3-F43 HydrophobicContact CG1-CE1 3.98Å; F20-F43 HydrophobicContact CE1-CB 4.08Å; F20-F43 WeakPolarHBondContact CE1-O 3.24Å; M23-F43 HydrophobicContact CE-CD1 3.7Å; M23-F43 HydrophobicContact CE-CD2 4.17Å; M23-F43 HydrophobicContact CE-CE1 3.81Å; M23-F43 HydrophobicContact CE-CE2 4.23Å; M23-F43 HydrophobicContact CE-CG 3.9Å; M23-F43 HydrophobicContact CE-CZ 4.09Å; M23-F43 HydrophobicContact SD-CB 4.36Å; M23-F43 HydrophobicContact SD-CD1 3.89Å; M23-F43 HydrophobicContact SD-CD2 3.23Å; M23-F43 WeakPolarHBondContact SD-CD2 3.32Å; M23-F43 HydrophobicContact SD-CE1 3.94Å; M23-F43 HydrophobicContact SD-CE2 3.25Å; M23-F43 WeakPolarHBondContact SD-CE2 3.47Å; M23-F43 HydrophobicContact SD-CG 3.55Å; M23-F43 VanDerWaalsContact SD-CG 3.55Å; M23-F43 HydrophobicContact SD-CZ 3.65Å; S39-F43 PolarHBondContact O-N 2.92Å; C40-F43 PolarHBondContact O-N 3.04Å; F43-R55 WeakPolarHBondContact O-CB 3.23Å; F43-R55 WeakPolarHBondContact O-CG 3.38Å; F43-R55 PolarHBondContact O-N 2.93Å; F43-L232 HydrophobicContact CE2-CB 4.37Å; F43-L232 HydrophobicContact CZ-CB 3.9Å; F43-L232 HydrophobicContact CZ-CD1 4.46Å
44F95.4Very high91.3Very high5 Ų545.7 Ų45.72%0.02226%0.262CS..EExtended strand (participates in β ladder)trans-124.9154.1-175-60.1-86.5000111.5F20 M23 C24 C40 L52 E53 R55 W79F20-F44 HydrophobicContact CD1-CD1 4.41Å; F20-F44 AromaticContact CD1-CE1 3.62Å; F20-F44 HydrophobicContact CD1-CE1 3.62Å; F20-F44 HydrophobicContact CD1-CE2 4.47Å; F20-F44 AromaticContact CD1-CZ 3.64Å; F20-F44 HydrophobicContact CD1-CZ 3.64Å; F20-F44 HydrophobicContact CE1-CE1 4.23Å; F20-F44 HydrophobicContact CE1-CZ 4.33Å; M23-F44 HydrophobicContact CB-CE2 4.3Å; C24-F44 HydrophobicContact CB-CE1 4.29Å; C24-F44 HydrophobicContact CB-CE2 4.34Å; C24-F44 HydrophobicContact CB-CZ 3.67Å; C40-F44 CarbonylContact O-C 3.53Å; C40-F44 VanDerWaalsContact O-CA 3.31Å; C40-F44 WeakPolarHBondContact O-CA 3.49Å; C40-F44 WeakPolarHBondContact O-CB 3.34Å; C40-F44 PolarHBondContact O-N 3.42Å; F44-L52 HydrophobicContact CB-CB 4.37Å; F44-L52 HydrophobicContact CB-CD2 4.22Å; F44-L52 HydrophobicContact CD1-CB 3.96Å; F44-L52 HydrophobicContact CG-CB 4.34Å; F44-E53 CarbonylContact C-O 3.47Å; F44-E53 VanDerWaalsContact CA-O 3.23Å; F44-E53 WeakPolarHBondContact CA-O 3.4Å; F44-R55 PolarHBondContact O-NE 3.47Å; F44-R55 PolarHBondContact O-NH2 3.47Å; F44-W79 HydrophobicContact CD1-CB 4.38Å; F44-W79 HydrophobicContact CE1-CB 3.85Å; F44-W79 HydrophobicContact CE1-CD2 4.32Å; F44-W79 HydrophobicContact CE1-CE3 4.46Å; F44-W79 HydrophobicContact CE1-CG 4.06Å
45R92.9Very high91.6Very high71 Ų7141.5 Ų41.527%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-111.9131.2165.4-175.6177.170.8110.6-3.4107.8E53R45-E53 IonicContact CZ-OE1 2.75Å; R45-E53 PolarHBondContact N-O 3.32Å; R45-E53 IonicContact NE-OE1 2.86Å; R45-E53 IonicContact NH2-OE1 2.76Å; R45-E53 PolarHBondContact NH2-OE1 3.47Å; R45-E53 IonicContact NH2-OE2 2.75Å; R45-E53 PolarHBondContact O-N 3.35Å
46Q90.3Very high91.8Very high143 Ų14341.4 Ų41.467%0.66824%0.235SC*.EExtended strand (participates in β ladder)trans-87.5122.6174.2-165.4170.97.100109.2
47T86.4Confident92.1Very high19 Ų1940.6 Ų40.612%0.11723%0.229CC..  trans-75.4164.8175.261.30000110.9Q49 G50 A51 E53T47-Q49 PolarHBondContact O-N 3.49Å; T47-Q49 VanDerWaalsContact O-N 3.16Å; T47-G50 WeakPolarHBondContact O-CA 3.38Å; T47-G50 PolarHBondContact O-N 2.83Å; T47-A51 PolarHBondContact N-O 3.41Å; T47-A51 WeakPolarHBondContact OG1-CA 3.26Å; T47-A51 WeakPolarHBondContact OG1-CB 3.46Å; T47-A51 PolarHBondContact OG1-N 2.93Å; T47-A51 PolarHBondContact OG1-O 3.47Å; T47-E53 HydrophobicContact CG2-CB 4.32Å
48T83.4Confident92.4Very high154 Ų15437.8 Ų37.895%0.94521%0.206SC*.THydrogen-bonded Turntrans-58.1-27.6175.349.70000113.2G50T48-G50 VanDerWaalsContact C-N 3.26Å; T48-G50 PolarHBondContact O-N 3.04Å
49Q80.9Confident92.7Very high169 Ų16937.1 Ų37.179%0.7920%0.202SC*.THydrogen-bonded Turntrans-84.33.4175.6-63.6179.8-11.600113.2T47 A51T47-Q49 PolarHBondContact O-N 3.49Å; T47-Q49 VanDerWaalsContact O-N 3.16Å; Q49-A51 VanDerWaalsContact C-N 3.29Å; Q49-A51 PolarHBondContact O-N 3.34Å
50G82.6Confident92.8Very high37 Ų3737.4 Ų37.438%0.38120%0.203SC..SBendtrans80.10.3179.700000115.2T47 T48T47-G50 WeakPolarHBondContact O-CA 3.38Å; T47-G50 PolarHBondContact O-N 2.83Å; T48-G50 VanDerWaalsContact C-N 3.26Å; T48-G50 PolarHBondContact O-N 3.04Å
51A89.5Confident92.9Very high38 Ų3836.1 Ų36.131%0.31419%0.194SC..  trans-72.4141.7175.400000111.2T47 Q49T47-A51 PolarHBondContact N-O 3.41Å; T47-A51 WeakPolarHBondContact OG1-CA 3.26Å; T47-A51 WeakPolarHBondContact OG1-CB 3.46Å; T47-A51 PolarHBondContact OG1-N 2.93Å; T47-A51 PolarHBondContact OG1-O 3.47Å; Q49-A51 VanDerWaalsContact C-N 3.29Å; Q49-A51 PolarHBondContact O-N 3.34Å
52L94.1Very high92.9Very high19 Ų1937.8 Ų37.810%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-86.1121.9175.1-63.2177.9000110.1F44 W79 R80F44-L52 HydrophobicContact CB-CB 4.37Å; F44-L52 HydrophobicContact CB-CD2 4.22Å; F44-L52 HydrophobicContact CD1-CB 3.96Å; F44-L52 HydrophobicContact CG-CB 4.34Å; L52-W79 HydrophobicContact CB-CB 4.13Å; L52-W79 CarbonylContact O-C 3.57Å; L52-W79 VanDerWaalsContact O-CA 3.22Å; L52-W79 WeakPolarHBondContact O-CA 3.27Å; L52-R80 PolarHBondContact O-N 3.08Å
53E96Very high92.9Very high12 Ų1240.1 Ų40.16%0.05622%0.218CC..EExtended strand (participates in β ladder)trans-107.3130175.2-161.2165.7108.100109.6F44 R45 T47 R80 G82F44-E53 CarbonylContact C-O 3.47Å; F44-E53 VanDerWaalsContact CA-O 3.23Å; F44-E53 WeakPolarHBondContact CA-O 3.4Å; R45-E53 IonicContact CZ-OE1 2.75Å; R45-E53 PolarHBondContact N-O 3.32Å; R45-E53 IonicContact NE-OE1 2.86Å; R45-E53 IonicContact NH2-OE1 2.76Å; R45-E53 PolarHBondContact NH2-OE1 3.47Å; R45-E53 IonicContact NH2-OE2 2.75Å; R45-E53 PolarHBondContact O-N 3.35Å; T47-E53 HydrophobicContact CG2-CB 4.32Å; E53-R80 CarbonylContact C-O 3.59Å; E53-R80 VanDerWaalsContact CA-O 3.3Å; E53-R80 WeakPolarHBondContact CA-O 3.43Å; E53-R80 HydrophobicContact CG-CG 4.43Å; E53-R80 IonicContact OE2-CZ 3.16Å; E53-R80 IonicContact OE2-NE 2.77Å; E53-R80 PolarHBondContact OE2-NE 3.03Å; E53-R80 IonicContact OE2-NH2 3.23Å; E53-R80 PolarHBondContact OE2-NH2 2.8Å; E53-G82 WeakPolarHBondContact OE1-CA 3.43Å
54A97.3Very high92.9Very high1 Ų148.2 Ų48.21%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-71134.4-178.600000111.4F20 A56 W79 R80 Y81F20-A54 HydrophobicContact CD1-CB 3.47Å; F20-A54 VanDerWaalsContact CD1-CB 3.47Å; F20-A54 HydrophobicContact CE1-CB 3.38Å; F20-A54 HydrophobicContact CG-CB 4.12Å; F20-A54 HydrophobicContact CZ-CB 3.98Å; A54-A56 HydrophobicContact CB-CB 4.2Å; A54-A56 PolarHBondContact O-N 2.85Å; A54-W79 HydrophobicContact CB-CE3 3.81Å; A54-W79 HydrophobicContact CB-CZ3 3.78Å; A54-R80 PolarHBondContact N-O 3.42Å; A54-Y81 HydrophobicContact CB-CD1 4Å; A54-Y81 HydrophobicContact CB-CE1 4.34Å
55R97.3Very high92.8Very high13 Ų1348.8 Ų48.85%0.04926%0.257CS..  trans-77.371.9170-62.9179.7-173.8-82.84.4110.2S2 T5 E41 F43 F44 E119 H122 C123S2-R55 PolarHBondContact OG-NE 2.61Å; T5-R55 PolarHBondContact N-O 3.33Å; E41-R55 PolarHBondContact O-NE 2.81Å; F43-R55 WeakPolarHBondContact O-CB 3.23Å; F43-R55 WeakPolarHBondContact O-CG 3.38Å; F43-R55 PolarHBondContact O-N 2.93Å; F44-R55 PolarHBondContact O-NE 3.47Å; F44-R55 PolarHBondContact O-NH2 3.47Å; R55-E119 WeakPolarHBondContact CA-OE1 3.49Å; R55-H122 PolarHBondContact NH1-O 3.44Å; R55-C123 PolarHBondContact NH1-SG 3.45Å
56A97.9Very high92.9Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-145.5139.2-17100000112.2T5 F20 A54 Y81 S85T5-A56 CarbonylContact O-C 3.45Å; T5-A56 VanDerWaalsContact O-CA 3.27Å; T5-A56 WeakPolarHBondContact O-CA 3.4Å; T5-A56 WeakPolarHBondContact OG1-CB 3.43Å; F20-A56 HydrophobicContact CE2-CB 3.85Å; F20-A56 HydrophobicContact CZ-CB 3.86Å; A54-A56 HydrophobicContact CB-CB 4.2Å; A54-A56 PolarHBondContact O-N 2.85Å; A56-Y81 HydrophobicContact CB-CD1 3.99Å; A56-Y81 HydrophobicContact CB-CE1 3.82Å; A56-S85 VanDerWaalsContact O-CB 3.23Å; A56-S85 WeakPolarHBondContact O-CB 3.32Å
57V98.3Very high93.2Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-111.3126.6170.6-176.40000108.9T5 Q7 I59 S85 L115 V116 E119T5-V57 PolarHBondContact O-N 2.75Å; Q7-V57 PolarHBondContact N-O 2.78Å; V57-I59 HydrophobicContact CG1-CD1 3.99Å; V57-I59 HydrophobicContact CG1-CG1 3.92Å; V57-S85 WeakPolarHBondContact CA-O 3.3Å; V57-L115 HydrophobicContact CG1-CB 3.99Å; V57-V116 HydrophobicContact CG2-CG2 4.37Å; V57-E119 HydrophobicContact CG2-CB 4.05Å; V57-E119 HydrophobicContact CG2-CG 4.35Å
58L98.5Very high93.7Very high0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-103.8124.9-179-70.280.2000110.1Q7 N13 I66 M70 Y81 S85 H86 F87Q7-L58 HydrophobicContact CB-CG 4.47Å; N13-L58 VanDerWaalsContact OD1-CB 3.27Å; N13-L58 WeakPolarHBondContact OD1-CB 3.17Å; N13-L58 WeakPolarHBondContact OD1-CG 3.47Å; L58-I66 HydrophobicContact CB-CD1 4.33Å; L58-I66 HydrophobicContact CB-CG1 4.38Å; L58-I66 HydrophobicContact CB-CG2 4.3Å; L58-I66 HydrophobicContact CD2-CG2 4.28Å; L58-M70 HydrophobicContact CD2-CG 4.47Å; L58-Y81 HydrophobicContact CD1-CD1 3.18Å; L58-Y81 HydrophobicContact CD1-CD2 4.46Å; L58-Y81 HydrophobicContact CD1-CE1 3.3Å; L58-Y81 HydrophobicContact CD1-CG 3.78Å; L58-Y81 HydrophobicContact CD2-CD1 4.42Å; L58-Y81 HydrophobicContact CD2-CD2 4.44Å; L58-Y81 HydrophobicContact CD2-CE1 4.1Å; L58-Y81 HydrophobicContact CD2-CE2 4.13Å; L58-Y81 HydrophobicContact CG-CD1 4.34Å; L58-Y81 HydrophobicContact CG-CE1 4.08Å; L58-S85 PolarHBondContact N-O 3.32Å; L58-H86 HydrophobicContact CB-CB 3.98Å; L58-H86 CarbonylContact O-C 3.06Å; L58-H86 WeakPolarHBondContact O-CA 3.37Å; L58-F87 PolarHBondContact O-N 2.87Å
59I97.4Very high94.3Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-134122.1-175.6-56.6174.6000108.5V6 Q7 L8 G9 N13 V57 M61 F87 V112 I147V6-I59 HydrophobicContact CG1-CD1 4.03Å; Q7-I59 PolarHBondContact O-N 2.83Å; L8-I59 WeakPolarHBondContact CA-O 3.3Å; L8-I59 HydrophobicContact CD2-CB 3.89Å; L8-I59 HydrophobicContact CD2-CD1 4.19Å; L8-I59 HydrophobicContact CD2-CG2 4.16Å; G9-I59 PolarHBondContact N-O 2.85Å; N13-I59 PolarHBondContact ND2-O 2.93Å; V57-I59 HydrophobicContact CG1-CD1 3.99Å; V57-I59 HydrophobicContact CG1-CG1 3.92Å; I59-M61 HydrophobicContact CG2-CE 4.17Å; I59-F87 HydrophobicContact CG1-CB 4.36Å; I59-F87 HydrophobicContact CG2-CD1 4.26Å; I59-V112 HydrophobicContact CD1-CB 4.38Å; I59-V112 HydrophobicContact CD1-CG1 3.49Å; I59-V112 VanDerWaalsContact CD1-CG1 3.49Å; I59-V112 HydrophobicContact CD1-CG2 4.05Å; I59-I147 HydrophobicContact CD1-CD1 3.66Å; I59-I147 HydrophobicContact CG2-CD1 3.91Å
60D96.5Very high95Very high6 Ų634.4 Ų34.43%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-150.3149.6172.7-156.8-24.4000108.5G9 Q10 E62 I66 F87 S88G9-D60 VanDerWaalsContact C-OD2 3.23Å; Q10-D60 PolarHBondContact N-OD2 2.81Å; Q10-D60 VanDerWaalsContact N-OD2 3.08Å; D60-E62 PolarHBondContact O-N 2.94Å; D60-I66 HydrophobicContact CB-CD1 3.87Å; D60-I66 HydrophobicContact CB-CG1 3.95Å; D60-F87 PolarHBondContact N-O 2.83Å; D60-S88 WeakPolarHBondContact O-CA 3.41Å
61M94.1Very high95.6Very high2 Ų234.9 Ų34.91%0.0118%0.181CC..SBendtrans-79.5-2177.8-64.1-60.710300112.3I59 F87 Q89 Q91 L104 T139 V143I59-M61 HydrophobicContact CG2-CE 4.17Å; M61-F87 HydrophobicContact CE-CD1 3.91Å; M61-F87 HydrophobicContact CE-CE1 3.74Å; M61-Q89 CarbonylContact O-C 3.44Å; M61-Q89 WeakPolarHBondContact O-CA 3.45Å; M61-Q89 WeakPolarHBondContact O-CB 3.46Å; M61-Q89 HydrophobicContact SD-CB 4.38Å; M61-Q89 HydrophobicContact SD-CG 4.21Å; M61-Q91 WeakPolarHBondContact CB-O 3.22Å; M61-L104 HydrophobicContact CG-CD1 4.04Å; M61-L104 HydrophobicContact SD-CB 4.25Å; M61-L104 HydrophobicContact SD-CD1 4.26Å; M61-T139 HydrophobicContact CB-CG2 4.26Å; M61-T139 HydrophobicContact CG-CG2 3.72Å; M61-V143 HydrophobicContact CE-CG1 4.21Å; M61-V143 HydrophobicContact CG-CG2 4.32Å
62E92.4Very high95.9Very high101 Ų10136.1 Ų36.147%0.47218%0.18SC..SBendtrans-131.8138.4176.5-64.2179.881.600111.2D60 K64D60-E62 PolarHBondContact O-N 2.94Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.19Å
63P94.1Very high95.9Very high52 Ų5235.2 Ų35.234%0.33818%0.175SC..Hα-helixtrans-78.3-17.1-17031.7-36.7000113.5V65 I66 N67 Q89P63-V65 PolarHBondContact O-N 2.85Å; P63-I66 PolarHBondContact O-N 3.4Å; P63-N67 WeakPolarHBondContact O-CB 3.27Å; P63-N67 VanDerWaalsContact O-CG 3.25Å; P63-N67 PolarHBondContact O-N 3.39Å; P63-N67 PolarHBondContact O-ND2 2.97Å; P63-Q89 WeakPolarHBondContact CD-O 3.31Å
64K94.8Very high95.8Very high171 Ų17137.5 Ų37.574%0.74320%0.196SC*.Hα-helixtrans-58-47.9-168.2-176.9-179.4177.6-177.30112.4E62 H68E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.19Å; K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 3.35Å; K64-H68 VanDerWaalsContact O-N 3.13Å
65V94.1Very high95.6Very high16 Ų1645.7 Ų45.710%0.09723%0.231CC..Hα-helixtrans-74.3-38.3-174.8-1770000111Q10 N13 Q14 P63 H68 S69Q10-V65 HydrophobicContact CB-CG2 4.1Å; Q10-V65 HydrophobicContact CG-CG1 4.45Å; Q10-V65 HydrophobicContact CG-CG2 3.81Å; N13-V65 HydrophobicContact CB-CG1 3.94Å; Q14-V65 HydrophobicContact CG-CG1 3.82Å; P63-V65 PolarHBondContact O-N 2.85Å; V65-H68 PolarHBondContact O-N 3.3Å; V65-S69 WeakPolarHBondContact O-CB 3.41Å; V65-S69 PolarHBondContact O-N 2.92Å; V65-S69 PolarHBondContact O-OG 3.37Å
66I95.7Very high95.3Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-62.6-52.9175.8-61.8-173.6000110.3L58 D60 P63 H68 S69 M70 H86 F87L58-I66 HydrophobicContact CB-CD1 4.33Å; L58-I66 HydrophobicContact CB-CG1 4.38Å; L58-I66 HydrophobicContact CB-CG2 4.3Å; L58-I66 HydrophobicContact CD2-CG2 4.28Å; D60-I66 HydrophobicContact CB-CD1 3.87Å; D60-I66 HydrophobicContact CB-CG1 3.95Å; P63-I66 PolarHBondContact O-N 3.4Å; I66-H68 VanDerWaalsContact C-N 3.25Å; I66-H68 PolarHBondContact O-N 3.26Å; I66-S69 PolarHBondContact O-N 3.42Å; I66-S69 VanDerWaalsContact O-N 3.07Å; I66-M70 HydrophobicContact CG2-CG 4.22Å; I66-M70 HydrophobicContact CG2-SD 3.81Å; I66-M70 WeakPolarHBondContact O-CG 3.4Å; I66-M70 PolarHBondContact O-N 3.35Å; I66-H86 HydrophobicContact CG2-CB 3.76Å; I66-F87 WeakPolarHBondContact CD1-O 3.36Å
67N95.9Very high94.9Very high92 Ų9250.2 Ų50.249%0.49228%0.276SS..Hα-helixtrans-58.1-40.3179.8-72.3-16.9000111.8P63 S71P63-N67 WeakPolarHBondContact O-CB 3.27Å; P63-N67 VanDerWaalsContact O-CG 3.25Å; P63-N67 PolarHBondContact O-N 3.39Å; P63-N67 PolarHBondContact O-ND2 2.97Å; N67-S71 VanDerWaalsContact O-CB 3.23Å; N67-S71 WeakPolarHBondContact O-CB 3.09Å; N67-S71 PolarHBondContact O-N 3.23Å
68H96.1Very high94.6Very high121 Ų12153.8 Ų53.856%0.5629%0.289SS*.Hα-helixtrans-62.9-47.9175.2-176.877.4000111.9K64 V65 I66 S71 K72K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 3.35Å; K64-H68 VanDerWaalsContact O-N 3.13Å; V65-H68 PolarHBondContact O-N 3.3Å; I66-H68 VanDerWaalsContact C-N 3.25Å; I66-H68 PolarHBondContact O-N 3.26Å; H68-S71 PolarHBondContact O-N 3.02Å; H68-K72 VanDerWaalsContact O-CB 3.29Å; H68-K72 WeakPolarHBondContact O-CB 3.45Å; H68-K72 PolarHBondContact O-N 2.78Å
69S96.2Very high94.5Very high2 Ų254.1 Ų54.11%0.01429%0.29CS..Hα-helixtrans-64.5-43.5-178.5-560000111.8V65 I66 K72 A73V65-S69 WeakPolarHBondContact O-CB 3.41Å; V65-S69 PolarHBondContact O-N 2.92Å; V65-S69 PolarHBondContact O-OG 3.37Å; I66-S69 PolarHBondContact O-N 3.42Å; I66-S69 VanDerWaalsContact O-N 3.07Å; S69-K72 PolarHBondContact O-N 2.74Å; S69-A73 WeakPolarHBondContact O-CB 2.91Å; S69-A73 PolarHBondContact O-N 3.33Å
70M95.8Very high94.5Very high39 Ų3957.7 Ų57.719%0.19230%0.304CS..Hα-helixtrans-63.4-46.3175.3-68.4-177.576.500112.1L58 I66 K72 A73 A74 Y81 H86L58-M70 HydrophobicContact CD2-CG 4.47Å; I66-M70 HydrophobicContact CG2-CG 4.22Å; I66-M70 HydrophobicContact CG2-SD 3.81Å; I66-M70 WeakPolarHBondContact O-CG 3.4Å; I66-M70 PolarHBondContact O-N 3.35Å; M70-K72 PolarHBondContact O-N 3.31Å; M70-A73 PolarHBondContact O-N 3.14Å; M70-A74 WeakPolarHBondContact O-CB 3.48Å; M70-A74 PolarHBondContact O-N 2.67Å; M70-Y81 HydrophobicContact CG-CD2 4.12Å; M70-H86 HydrophobicContact SD-CB 4.31Å
71S95.9Very high94.5Very high47 Ų4757.8 Ų57.833%0.32930%0.304SS..Hα-helixtrans-63.2-42.5178-172.90000111.7N67 H68 K75N67-S71 VanDerWaalsContact O-CB 3.23Å; N67-S71 WeakPolarHBondContact O-CB 3.09Å; N67-S71 PolarHBondContact O-N 3.23Å; H68-S71 PolarHBondContact O-N 3.02Å; S71-K75 VanDerWaalsContact O-CB 3.27Å; S71-K75 WeakPolarHBondContact O-CB 3.31Å; S71-K75 WeakPolarHBondContact O-CG 3.25Å; S71-K75 PolarHBondContact O-N 2.74Å; S71-K75 VanDerWaalsContact OG-CE 3.27Å; S71-K75 WeakPolarHBondContact OG-CE 3.36Å; S71-K75 PolarHBondContact OG-NZ 3.22Å
72K95.1Very high94.5Very high65 Ų6557.7 Ų57.728%0.28330%0.304SS..Hα-helixtrans-63-46.2178.5-176.1175.8169.2-161.30111.6Q17 E18 H68 S69 M70 S76Q17-K72 VanDerWaalsContact OE1-CD 3.29Å; E18-K72 IonicContact OE1-NZ 3.43Å; E18-K72 PolarHBondContact OE1-NZ 2.98Å; H68-K72 VanDerWaalsContact O-CB 3.29Å; H68-K72 WeakPolarHBondContact O-CB 3.45Å; H68-K72 PolarHBondContact O-N 2.78Å; S69-K72 PolarHBondContact O-N 2.74Å; M70-K72 PolarHBondContact O-N 3.31Å; K72-S76 PolarHBondContact O-N 2.95Å
73A94.7Very high94.4Very high0 Ų059.9 Ų59.90%031%0.314CS..Hα-helixtrans-59.1-53.6175.800000111.3S69 M70 K75 S76 W79 Y81S69-A73 WeakPolarHBondContact O-CB 2.91Å; S69-A73 PolarHBondContact O-N 3.33Å; M70-A73 PolarHBondContact O-N 3.14Å; A73-K75 PolarHBondContact O-N 2.82Å; A73-S76 VanDerWaalsContact O-CB 3.25Å; A73-S76 WeakPolarHBondContact O-CB 3.22Å; A73-S76 PolarHBondContact O-N 2.8Å; A73-S76 VanDerWaalsContact O-N 3.07Å; A73-S76 PolarHBondContact O-OG 3.35Å; A73-W79 CarbonylContact C-O 3.44Å; A73-W79 HydrophobicContact CB-CD2 4.23Å; A73-W79 HydrophobicContact CB-CE3 4.04Å; A73-W79 HydrophobicContact CB-CH2 3.5Å; A73-W79 VanDerWaalsContact CB-CH2 3.5Å; A73-W79 HydrophobicContact CB-CZ2 3.7Å; A73-W79 HydrophobicContact CB-CZ3 3.67Å; A73-Y81 HydrophobicContact CB-CD2 3.86Å; A73-Y81 HydrophobicContact CB-CE2 3.91Å
74A93.4Very high94.3Very high59 Ų5961.7 Ų61.749%0.48832%0.324SS..Hα-helixtrans-60.9-42.3-178.600000113M70 S76 G77M70-A74 WeakPolarHBondContact O-CB 3.48Å; M70-A74 PolarHBondContact O-N 2.67Å; A74-S76 PolarHBondContact O-N 3.18Å; A74-G77 PolarHBondContact O-N 3.48Å; A74-G77 VanDerWaalsContact O-N 3.09Å
75K93.4Very high94.3Very high173 Ų17354 Ų5475%0.75229%0.292SS*.Hα-helixtrans-62.7-23.3177.2-77.6173.3179.2170.30113.4S71 A73 G77S71-K75 VanDerWaalsContact O-CB 3.27Å; S71-K75 WeakPolarHBondContact O-CB 3.31Å; S71-K75 WeakPolarHBondContact O-CG 3.25Å; S71-K75 PolarHBondContact O-N 2.74Å; S71-K75 VanDerWaalsContact OG-CE 3.27Å; S71-K75 WeakPolarHBondContact OG-CE 3.36Å; S71-K75 PolarHBondContact OG-NZ 3.22Å; A73-K75 PolarHBondContact O-N 2.82Å; K75-G77 PolarHBondContact O-N 3.45Å
76S90.4Very high94.4Very high41 Ų4156.1 Ų56.129%0.28730%0.3SS..THydrogen-bonded Turntrans-66.2-24.6175.981.80000112.7K72 A73 A74 R78K72-S76 PolarHBondContact O-N 2.95Å; A73-S76 VanDerWaalsContact O-CB 3.25Å; A73-S76 WeakPolarHBondContact O-CB 3.22Å; A73-S76 PolarHBondContact O-N 2.8Å; A73-S76 VanDerWaalsContact O-N 3.07Å; A73-S76 PolarHBondContact O-OG 3.35Å; A74-S76 PolarHBondContact O-N 3.18Å; S76-R78 PolarHBondContact O-N 2.73Å; S76-R78 VanDerWaalsContact O-N 3.13Å; S76-R78 PolarHBondContact OG-N 3.2Å; S76-R78 VanDerWaalsContact OG-N 3.15Å
77G90.8Very high94.4Very high68 Ų6857.2 Ų57.270%0.70131%0.305SS*.THydrogen-bonded Turntrans66.34.3-173.400000114.5A74 K75A74-G77 PolarHBondContact O-N 3.48Å; A74-G77 VanDerWaalsContact O-N 3.09Å; K75-G77 PolarHBondContact O-N 3.45Å
78R92.3Very high94.4Very high75 Ų7554.7 Ų54.728%0.28330%0.295SS..SBendtrans-97.8-35.6-175.9-61.4-176.9-63.5156.81.6112.8D21 R28 S76D21-R78 VanDerWaalsContact CG-NH2 3.28Å; D21-R78 IonicContact OD1-CZ 3.67Å; D21-R78 IonicContact OD1-NH2 2.71Å; D21-R78 PolarHBondContact OD1-NH2 2.84Å; D21-R78 IonicContact OD2-NH2 3.65Å; R28-R78 VanDerWaalsContact CZ-O 3.31Å; R28-R78 PolarHBondContact NH2-O 2.91Å; S76-R78 PolarHBondContact O-N 2.73Å; S76-R78 VanDerWaalsContact O-N 3.13Å; S76-R78 PolarHBondContact OG-N 3.2Å; S76-R78 VanDerWaalsContact OG-N 3.15Å
79W95.6Very high94.1Very high7 Ų752.2 Ų52.23%0.02728%0.284CS..  trans-160.9169.7177.863.6-81.7000108.7Q17 F20 D21 C24 F44 L52 A54 A73 Y81Q17-W79 HydrophobicContact CG-CH2 4.4Å; Q17-W79 HydrophobicContact CG-CZ2 4.5Å; F20-W79 HydrophobicContact CB-CD2 4.24Å; F20-W79 HydrophobicContact CB-CE3 4.2Å; F20-W79 HydrophobicContact CB-CH2 3.4Å; F20-W79 HydrophobicContact CB-CZ2 3.43Å; F20-W79 VanDerWaalsContact CB-CZ2 3.43Å; F20-W79 HydrophobicContact CB-CZ3 3.81Å; F20-W79 HydrophobicContact CG-CH2 4.19Å; F20-W79 HydrophobicContact CG-CZ3 4.22Å; D21-W79 PolarHBondContact OD1-NE1 2.98Å; C24-W79 HydrophobicContact CB-CG 4.2Å; F44-W79 HydrophobicContact CD1-CB 4.38Å; F44-W79 HydrophobicContact CE1-CB 3.85Å; F44-W79 HydrophobicContact CE1-CD2 4.32Å; F44-W79 HydrophobicContact CE1-CE3 4.46Å; F44-W79 HydrophobicContact CE1-CG 4.06Å; L52-W79 HydrophobicContact CB-CB 4.13Å; L52-W79 CarbonylContact O-C 3.57Å; L52-W79 VanDerWaalsContact O-CA 3.22Å; L52-W79 WeakPolarHBondContact O-CA 3.27Å; A54-W79 HydrophobicContact CB-CE3 3.81Å; A54-W79 HydrophobicContact CB-CZ3 3.78Å; A73-W79 CarbonylContact C-O 3.44Å; A73-W79 HydrophobicContact CB-CD2 4.23Å; A73-W79 HydrophobicContact CB-CE3 4.04Å; A73-W79 HydrophobicContact CB-CH2 3.5Å; A73-W79 VanDerWaalsContact CB-CH2 3.5Å; A73-W79 HydrophobicContact CB-CZ2 3.7Å; A73-W79 HydrophobicContact CB-CZ3 3.67Å; W79-Y81 HydrophobicContact CH2-CD2 4.06Å; W79-Y81 HydrophobicContact CH2-CE1 4.16Å; W79-Y81 AromaticContact CH2-CE2 3.42Å; W79-Y81 HydrophobicContact CH2-CE2 3.42Å; W79-Y81 VanDerWaalsContact CH2-CE2 3.42Å; W79-Y81 AromaticContact CH2-CZ 3.53Å; W79-Y81 HydrophobicContact CZ3-CD1 4.02Å; W79-Y81 AromaticContact CZ3-CD2 3.7Å; W79-Y81 HydrophobicContact CZ3-CD2 3.7Å; W79-Y81 AromaticContact CZ3-CE1 3.87Å; W79-Y81 HydrophobicContact CZ3-CE1 3.87Å; W79-Y81 AromaticContact CZ3-CE2 3.53Å; W79-Y81 HydrophobicContact CZ3-CE2 3.53Å; W79-Y81 AromaticContact CZ3-CG 3.99Å; W79-Y81 HydrophobicContact CZ3-CG 3.99Å; W79-Y81 AromaticContact CZ3-CZ 3.66Å
80R96.8Very high93.6Very high75 Ų7562 Ų6228%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-144.8163.3175.364.9-178.6-170.51787.3111L52 E53 A54L52-R80 PolarHBondContact O-N 3.08Å; E53-R80 CarbonylContact C-O 3.59Å; E53-R80 VanDerWaalsContact CA-O 3.3Å; E53-R80 WeakPolarHBondContact CA-O 3.43Å; E53-R80 HydrophobicContact CG-CG 4.43Å; E53-R80 IonicContact OE2-CZ 3.16Å; E53-R80 IonicContact OE2-NE 2.77Å; E53-R80 PolarHBondContact OE2-NE 3.03Å; E53-R80 IonicContact OE2-NH2 3.23Å; E53-R80 PolarHBondContact OE2-NH2 2.8Å; A54-R80 PolarHBondContact N-O 3.42Å
81Y97.1Very high93Very high7 Ų767.4 Ų67.43%0.02735%0.351CS..EExtended strand (participates in β ladder)trans-80.3156.8163.3-66.4-79.9000110.4Q7 Q17 A54 A56 L58 M70 A73 W79Q7-Y81 PolarHBondContact OE1-OH 3.41Å; Q17-Y81 WeakPolarHBondContact CA-OH 3.46Å; Q17-Y81 WeakPolarHBondContact CB-OH 3.47Å; Q17-Y81 HydrophobicContact CG-CE2 4.38Å; Q17-Y81 PolarHBondContact N-OH 2.94Å; A54-Y81 HydrophobicContact CB-CD1 4Å; A54-Y81 HydrophobicContact CB-CE1 4.34Å; A56-Y81 HydrophobicContact CB-CD1 3.99Å; A56-Y81 HydrophobicContact CB-CE1 3.82Å; L58-Y81 HydrophobicContact CD1-CD1 3.18Å; L58-Y81 HydrophobicContact CD1-CD2 4.46Å; L58-Y81 HydrophobicContact CD1-CE1 3.3Å; L58-Y81 HydrophobicContact CD1-CG 3.78Å; L58-Y81 HydrophobicContact CD2-CD1 4.42Å; L58-Y81 HydrophobicContact CD2-CD2 4.44Å; L58-Y81 HydrophobicContact CD2-CE1 4.1Å; L58-Y81 HydrophobicContact CD2-CE2 4.13Å; L58-Y81 HydrophobicContact CG-CD1 4.34Å; L58-Y81 HydrophobicContact CG-CE1 4.08Å; M70-Y81 HydrophobicContact CG-CD2 4.12Å; A73-Y81 HydrophobicContact CB-CD2 3.86Å; A73-Y81 HydrophobicContact CB-CE2 3.91Å; W79-Y81 HydrophobicContact CH2-CD2 4.06Å; W79-Y81 HydrophobicContact CH2-CE1 4.16Å; W79-Y81 AromaticContact CH2-CE2 3.42Å; W79-Y81 HydrophobicContact CH2-CE2 3.42Å; W79-Y81 VanDerWaalsContact CH2-CE2 3.42Å; W79-Y81 AromaticContact CH2-CZ 3.53Å; W79-Y81 HydrophobicContact CZ3-CD1 4.02Å; W79-Y81 AromaticContact CZ3-CD2 3.7Å; W79-Y81 HydrophobicContact CZ3-CD2 3.7Å; W79-Y81 AromaticContact CZ3-CE1 3.87Å; W79-Y81 HydrophobicContact CZ3-CE1 3.87Å; W79-Y81 AromaticContact CZ3-CE2 3.53Å; W79-Y81 HydrophobicContact CZ3-CE2 3.53Å; W79-Y81 AromaticContact CZ3-CG 3.99Å; W79-Y81 HydrophobicContact CZ3-CG 3.99Å; W79-Y81 AromaticContact CZ3-CZ 3.66Å
82G93.9Very high92.5Very high1 Ų166 Ų661%0.0134%0.344CS..  trans-62.3139.7169.900000111E53 T84 S85E53-G82 WeakPolarHBondContact OE1-CA 3.43Å; G82-T84 PolarHBondContact O-N 3.34Å; G82-S85 PolarHBondContact O-N 3.49Å; G82-S85 VanDerWaalsContact O-N 3.1Å
83E90.6Very high91.9Very high147 Ų14763.1 Ų63.169%0.68733%0.331SS*.THydrogen-bonded Turntrans-60-31.7-177-67.2179-174.700112H86E83-H86 PolarHBondContact O-CE1 3.21Å; E83-H86 PolarHBondContact O-ND1 3.18Å
84T91.9Very high91.5Very high90 Ų9066.4 Ų66.455%0.55237%0.366SS*.THydrogen-bonded Turntrans-103.48179590000113.6G82 H86 L115G82-T84 PolarHBondContact O-N 3.34Å; T84-H86 VanDerWaalsContact C-N 3.26Å; T84-H86 PolarHBondContact O-N 2.62Å; T84-L115 WeakPolarHBondContact O-CD2 3.09Å
85S93.7Very high91.3Very high10 Ų1067.4 Ų67.47%0.0736%0.363CS..SBendtrans-91.934.7-173.9-50.30000112.9A56 V57 L58 G82 E119A56-S85 VanDerWaalsContact O-CB 3.23Å; A56-S85 WeakPolarHBondContact O-CB 3.32Å; V57-S85 WeakPolarHBondContact CA-O 3.3Å; L58-S85 PolarHBondContact N-O 3.32Å; G82-S85 PolarHBondContact O-N 3.49Å; G82-S85 VanDerWaalsContact O-N 3.1Å; S85-E119 PolarHBondContact OG-OE2 2.65Å
86H96.6Very high91.4Very high59 Ų5959.6 Ų59.627%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-144.1152.4-179.269.7-79.9000113.2L58 I66 M70 E83 T84L58-H86 HydrophobicContact CB-CB 3.98Å; L58-H86 CarbonylContact O-C 3.06Å; L58-H86 WeakPolarHBondContact O-CA 3.37Å; I66-H86 HydrophobicContact CG2-CB 3.76Å; M70-H86 HydrophobicContact SD-CB 4.31Å; E83-H86 PolarHBondContact O-CE1 3.21Å; E83-H86 PolarHBondContact O-ND1 3.18Å; T84-H86 VanDerWaalsContact C-N 3.26Å; T84-H86 PolarHBondContact O-N 2.62Å
87F96.6Very high91.7Very high24 Ų2457.7 Ų57.711%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-131.5130.7175.1-177-100.7000110.5L58 I59 D60 M61 I66 Q89 H108 A111 V112 L115L58-F87 PolarHBondContact O-N 2.87Å; I59-F87 HydrophobicContact CG1-CB 4.36Å; I59-F87 HydrophobicContact CG2-CD1 4.26Å; D60-F87 PolarHBondContact N-O 2.83Å; M61-F87 HydrophobicContact CE-CD1 3.91Å; M61-F87 HydrophobicContact CE-CE1 3.74Å; I66-F87 WeakPolarHBondContact CD1-O 3.36Å; F87-Q89 HydrophobicContact CE1-CG 3.79Å; F87-Q89 HydrophobicContact CZ-CG 3.88Å; F87-H108 HydrophobicContact CE1-CB 3.93Å; F87-H108 AromaticContact CE1-CG 3.9Å; F87-H108 HydrophobicContact CZ-CB 3.66Å; F87-H108 AromaticContact CZ-CD2 3.97Å; F87-H108 AromaticContact CZ-CG 3.47Å; F87-H108 VanDerWaalsContact CZ-CG 3.47Å; F87-H108 AromaticContact CZ-ND1 3.61Å; F87-A111 HydrophobicContact CD2-CB 4.21Å; F87-A111 HydrophobicContact CE2-CB 3.85Å; F87-V112 HydrophobicContact CD1-CG2 4.47Å; F87-L115 HydrophobicContact CB-CD1 3.61Å; F87-L115 HydrophobicContact CD2-CD1 4.43Å; F87-L115 HydrophobicContact CG-CD1 4.43Å
88S94.8Very high92Very high38 Ų3854.4 Ų54.427%0.26628%0.282SS..EExtended strand (participates in β ladder)trans-142.5158.1167.7590000115D60D60-S88 WeakPolarHBondContact O-CA 3.41Å
89Q91.3Very high92.1Very high70 Ų7052.1 Ų52.133%0.32728%0.276SS..  trans-120.5178.7174.8-71.2-61.4-34.100110.8M61 P63 F87M61-Q89 CarbonylContact O-C 3.44Å; M61-Q89 WeakPolarHBondContact O-CA 3.45Å; M61-Q89 WeakPolarHBondContact O-CB 3.46Å; M61-Q89 HydrophobicContact SD-CB 4.38Å; M61-Q89 HydrophobicContact SD-CG 4.21Å; P63-Q89 WeakPolarHBondContact CD-O 3.31Å; F87-Q89 HydrophobicContact CE1-CG 3.79Å; F87-Q89 HydrophobicContact CZ-CG 3.88Å
90K85.5Confident92.2Very high207 Ų20751.8 Ų51.890%0.927%0.274SS*.SBendtrans-92.9-12.1177-65.5-177.3-179177.90113.5
91Q83.6Confident92.2Very high153 Ų15350 Ų5072%0.71527%0.268SS*.SBendtrans-131.1119.1-172.4-174.3174.919.200110.5M61M61-Q91 WeakPolarHBondContact CB-O 3.22Å
92G84.1Confident92.1Very high18 Ų1851.7 Ų51.719%0.18628%0.28CS..  trans-70.2167.8177.300000114.2G94G92-G94 PolarHBondContact O-N 3.5Å
93S82.2Confident92.2Very high3 Ų354.3 Ų54.32%0.02130%0.296CS..  trans-74.9-4.6179.8-48.20000114.2N95 N96 N99 L104 G138 T139S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 3.28Å; S93-N96 PolarHBondContact O-N 3.29Å; S93-N99 PolarHBondContact O-ND2 3.34Å; S93-L104 WeakPolarHBondContact OG-CD1 3.31Å; S93-G138 VanDerWaalsContact CB-C 3.46Å; S93-T139 WeakPolarHBondContact OG-CA 3.29Å; S93-T139 PolarHBondContact OG-N 3.26Å; S93-T139 PolarHBondContact OG-OG1 3.36Å
94G86.4Confident92.4Very high70 Ų7048.1 Ų48.172%0.72227%0.268SS*.THydrogen-bonded Turntrans64.232175.500000114.7G92 N96G92-G94 PolarHBondContact O-N 3.5Å; G94-N96 PolarHBondContact O-N 3.1Å
95N90.3Very high92.5Very high79 Ų7944 Ų4442%0.42224%0.243SC..THydrogen-bonded Turntrans56.722.8-174.5-65.1-31.7000115.6S93 V173 V175 N179S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 3.28Å; N95-V173 HydrophobicContact CB-CG1 3.89Å; N95-V175 VanDerWaalsContact O-CG2 3.27Å; N95-V175 WeakPolarHBondContact O-CG2 3.47Å; N95-N179 PolarHBondContact O-ND2 2.89Å
96N94.3Very high92.7Very high10 Ų1046.2 Ų46.25%0.05326%0.257CS..  trans-111.8115.4178.5-174.7-46.3000110S93 G94 A98 N99 G100 Q415S93-N96 PolarHBondContact O-N 3.29Å; G94-N96 PolarHBondContact O-N 3.1Å; N96-A98 WeakPolarHBondContact OD1-CA 3.32Å; N96-A98 WeakPolarHBondContact OD1-CB 3.47Å; N96-A98 PolarHBondContact OD1-N 3.41Å; N96-N99 HydrophobicContact CB-CB 4.15Å; N96-N99 PolarHBondContact O-N 3.24Å; N96-N99 PolarHBondContact OD1-N 2.76Å; N96-N99 VanDerWaalsContact OD1-N 3.11Å; N96-G100 PolarHBondContact O-N 3.23Å; N96-Q415 PolarHBondContact ND2-O 3.29Å
97W96.9Very high92.6Very high0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-61.2-42.2179.4-178.3102.5000112.3N99 G100 Y101 G142 T145 N179 L182 T183 H186 Y416 I421W97-N99 PolarHBondContact O-N 2.83Å; W97-G100 CarbonylContact O-C 3.59Å; W97-G100 WeakPolarHBondContact O-CA 3.46Å; W97-G100 PolarHBondContact O-N 3.18Å; W97-Y101 HydrophobicContact CE3-CG 4.46Å; W97-Y101 AromaticContact CH2-CD1 3.43Å; W97-Y101 HydrophobicContact CH2-CD1 3.43Å; W97-Y101 VanDerWaalsContact CH2-CD1 3.43Å; W97-Y101 AromaticContact CH2-CD2 3.84Å; W97-Y101 HydrophobicContact CH2-CD2 3.84Å; W97-Y101 AromaticContact CH2-CE1 3.89Å; W97-Y101 HydrophobicContact CH2-CE1 3.89Å; W97-Y101 HydrophobicContact CH2-CE2 4.27Å; W97-Y101 AromaticContact CH2-CG 3.39Å; W97-Y101 HydrophobicContact CH2-CG 3.39Å; W97-Y101 HydrophobicContact CZ2-CD1 4.18Å; W97-Y101 AromaticContact CZ2-CD2 3.73Å; W97-Y101 HydrophobicContact CZ2-CD2 3.73Å; W97-Y101 HydrophobicContact CZ2-CE2 4.26Å; W97-Y101 AromaticContact CZ2-CG 3.68Å; W97-Y101 HydrophobicContact CZ2-CG 3.68Å; W97-Y101 AromaticContact CZ3-CD1 3.76Å; W97-Y101 HydrophobicContact CZ3-CD1 3.76Å; W97-Y101 AromaticContact CZ3-CG 3.84Å; W97-Y101 HydrophobicContact CZ3-CG 3.84Å; W97-Y101 WeakPolarHBondContact O-CB 3.14Å; W97-Y101 PolarHBondContact O-N 3.37Å; W97-G142 VanDerWaalsContact CD1-N 3.34Å; W97-T145 HydrophobicContact CZ2-CG2 4.09Å; W97-T145 PolarHBondContact NE1-OG1 3.4Å; W97-N179 HydrophobicContact CB-CB 4.12Å; W97-N179 WeakPolarHBondContact CB-OD1 3.38Å; W97-N179 PolarHBondContact N-OD1 2.91Å; W97-L182 HydrophobicContact CB-CD1 4.44Å; W97-L182 HydrophobicContact CD2-CB 3.68Å; W97-L182 HydrophobicContact CD2-CD1 4Å; W97-L182 HydrophobicContact CD2-CG 4.46Å; W97-L182 HydrophobicContact CE3-CB 3.88Å; W97-L182 HydrophobicContact CE3-CD1 3.58Å; W97-L182 HydrophobicContact CE3-CG 4.24Å; W97-L182 HydrophobicContact CG-CB 4.15Å; W97-L182 HydrophobicContact CG-CD1 4.37Å; W97-L182 HydrophobicContact CH2-CB 4.21Å; W97-L182 HydrophobicContact CZ2-CB 4.02Å; W97-L182 HydrophobicContact CZ3-CB 4.12Å; W97-L182 HydrophobicContact CZ3-CD1 4.13Å; W97-L182 HydrophobicContact CZ3-CD2 4.42Å; W97-L182 HydrophobicContact CZ3-CG 4.46Å; W97-T183 PolarHBondContact NE1-OG1 3.15Å; W97-H186 AromaticContact CH2-CE1 3.55Å; W97-H186 AromaticContact CH2-ND1 3.86Å; W97-H186 AromaticContact CH2-NE2 3.85Å; W97-H186 AromaticContact CZ2-ND1 3.83Å; W97-Y416 HydrophobicContact CB-CE1 4.19Å; W97-I421 HydrophobicContact CE3-CG1 4.35Å; W97-I421 HydrophobicContact CZ3-CD1 3.71Å; W97-I421 HydrophobicContact CZ3-CG1 3.93Å
98A96.9Very high92.5Very high0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-63.3-39.7-178.500000112.3N96 G100 Y101 C102 Y416 F419 I421N96-A98 WeakPolarHBondContact OD1-CA 3.32Å; N96-A98 WeakPolarHBondContact OD1-CB 3.47Å; N96-A98 PolarHBondContact OD1-N 3.41Å; A98-G100 VanDerWaalsContact C-N 3.32Å; A98-G100 PolarHBondContact O-N 2.86Å; A98-Y101 PolarHBondContact O-N 3.19Å; A98-C102 VanDerWaalsContact O-CB 3.24Å; A98-C102 WeakPolarHBondContact O-CB 3.36Å; A98-C102 PolarHBondContact O-N 3.03Å; A98-Y416 HydrophobicContact CB-CD1 3.84Å; A98-Y416 HydrophobicContact CB-CG 4.4Å; A98-F419 HydrophobicContact CB-CB 3.82Å; A98-I421 HydrophobicContact CB-CB 4.05Å; A98-I421 HydrophobicContact CB-CG1 3.5Å; A98-I421 VanDerWaalsContact CB-CG1 3.5Å
99N95.9Very high92.6Very high26 Ų2655 Ų5514%0.13928%0.283CS..Iπ-helixtrans-63.3-40.4173.2-17437.3000111.6S93 N96 W97 V103 L104 F419S93-N99 PolarHBondContact O-ND2 3.34Å; N96-N99 HydrophobicContact CB-CB 4.15Å; N96-N99 PolarHBondContact O-N 3.24Å; N96-N99 PolarHBondContact OD1-N 2.76Å; N96-N99 VanDerWaalsContact OD1-N 3.11Å; W97-N99 PolarHBondContact O-N 2.83Å; N99-V103 WeakPolarHBondContact O-CB 3.44Å; N99-V103 PolarHBondContact O-N 3.27Å; N99-L104 PolarHBondContact O-N 2.94Å; N99-F419 HydrophobicContact CB-CD1 4.09Å; N99-F419 HydrophobicContact CB-CD2 3.77Å; N99-F419 HydrophobicContact CB-CE1 4.11Å; N99-F419 HydrophobicContact CB-CE2 3.82Å; N99-F419 HydrophobicContact CB-CG 3.91Å; N99-F419 HydrophobicContact CB-CZ 3.98Å; N99-F419 WeakPolarHBondContact OD1-CE1 3.29Å
100G95.9Very high92.8Very high0 Ų057.9 Ų57.90%030%0.3CS..Iπ-helixtrans-62.8-50.7175.300000112.7N96 W97 A98 G105 V143N96-G100 PolarHBondContact O-N 3.23Å; W97-G100 CarbonylContact O-C 3.59Å; W97-G100 WeakPolarHBondContact O-CA 3.46Å; W97-G100 PolarHBondContact O-N 3.18Å; A98-G100 VanDerWaalsContact C-N 3.32Å; A98-G100 PolarHBondContact O-N 2.86Å; G100-G105 PolarHBondContact O-N 2.85Å; G100-V143 WeakPolarHBondContact O-CG2 3.41Å
101Y97Very high93.3Very high37 Ų3750 Ų5015%0.14527%0.274CS..Iπ-helixtrans-79.4-45.4-172.5-176.4-98.7000113.6W97 A98 P106 T145 F146 Q149 H186W97-Y101 HydrophobicContact CE3-CG 4.46Å; W97-Y101 AromaticContact CH2-CD1 3.43Å; W97-Y101 HydrophobicContact CH2-CD1 3.43Å; W97-Y101 VanDerWaalsContact CH2-CD1 3.43Å; W97-Y101 AromaticContact CH2-CD2 3.84Å; W97-Y101 HydrophobicContact CH2-CD2 3.84Å; W97-Y101 AromaticContact CH2-CE1 3.89Å; W97-Y101 HydrophobicContact CH2-CE1 3.89Å; W97-Y101 HydrophobicContact CH2-CE2 4.27Å; W97-Y101 AromaticContact CH2-CG 3.39Å; W97-Y101 HydrophobicContact CH2-CG 3.39Å; W97-Y101 HydrophobicContact CZ2-CD1 4.18Å; W97-Y101 AromaticContact CZ2-CD2 3.73Å; W97-Y101 HydrophobicContact CZ2-CD2 3.73Å; W97-Y101 HydrophobicContact CZ2-CE2 4.26Å; W97-Y101 AromaticContact CZ2-CG 3.68Å; W97-Y101 HydrophobicContact CZ2-CG 3.68Å; W97-Y101 AromaticContact CZ3-CD1 3.76Å; W97-Y101 HydrophobicContact CZ3-CD1 3.76Å; W97-Y101 AromaticContact CZ3-CG 3.84Å; W97-Y101 HydrophobicContact CZ3-CG 3.84Å; W97-Y101 WeakPolarHBondContact O-CB 3.14Å; W97-Y101 PolarHBondContact O-N 3.37Å; A98-Y101 PolarHBondContact O-N 3.19Å; Y101-P106 WeakPolarHBondContact O-CD 3.27Å; Y101-T145 HydrophobicContact CD2-CG2 4.06Å; Y101-T145 HydrophobicContact CE2-CG2 3.84Å; Y101-F146 HydrophobicContact CD2-CB 3.69Å; Y101-F146 HydrophobicContact CE2-CB 4.05Å; Y101-F146 HydrophobicContact CE2-CD2 4.41Å; Y101-Q149 PolarHBondContact OH-OE1 3.14Å; Y101-H186 AromaticContact CZ-CD2 3.93Å
102C96.7Very high93.8Very high43 Ų4343.1 Ų43.129%0.29124%0.242SC..Iπ-helixtrans-89.9-21.8-173.3-57.30000113.9A98 F419 I421A98-C102 VanDerWaalsContact O-CB 3.24Å; A98-C102 WeakPolarHBondContact O-CB 3.36Å; A98-C102 PolarHBondContact O-N 3.03Å; C102-F419 WeakPolarHBondContact CB-O 3.26Å; C102-I421 VanDerWaalsContact SG-CD1 3.58Å
103V95.6Very high94.4Very high57 Ų5744.6 Ų44.635%0.34524%0.244SC..Iπ-helixtrans-117.3-62.4-173.6-175.60000111.6N99 R107 F419N99-V103 WeakPolarHBondContact O-CB 3.44Å; N99-V103 PolarHBondContact O-N 3.27Å; V103-R107 WeakPolarHBondContact O-CB 3.27Å; V103-R107 PolarHBondContact O-N 3.25Å; V103-R107 VanDerWaalsContact O-N 3.16Å; V103-F419 HydrophobicContact CG2-CB 4.34Å; V103-F419 HydrophobicContact CG2-CD1 3.88Å
104L94.9Very high95.1Very high17 Ų1747.2 Ų47.29%0.08926%0.256CS..Iπ-helixtrans-71.5-41.3-172.2-66.1176000112.6M61 S93 N99 H108 V143M61-L104 HydrophobicContact CG-CD1 4.04Å; M61-L104 HydrophobicContact SD-CB 4.25Å; M61-L104 HydrophobicContact SD-CD1 4.26Å; S93-L104 WeakPolarHBondContact OG-CD1 3.31Å; N99-L104 PolarHBondContact O-N 2.94Å; L104-H108 PolarHBondContact O-CD2 2.97Å; L104-H108 VanDerWaalsContact O-CD2 3.27Å; L104-H108 PolarHBondContact O-N 3.43Å; L104-V143 HydrophobicContact CB-CG2 4.09Å
105G94.4Very high95.6Very high3 Ų345 Ų453%0.03123%0.227CC..Hα-helixtrans-56.3-63.8175.200000112.1G100 R107 H108 R109 F146G100-G105 PolarHBondContact O-N 2.85Å; G105-R107 VanDerWaalsContact C-N 3.29Å; G105-R107 PolarHBondContact O-N 3.41Å; G105-H108 CarbonylContact O-C 3.48Å; G105-H108 PolarHBondContact O-N 3.12Å; G105-R109 PolarHBondContact O-N 3.29Å; G105-F146 VanDerWaalsContact CA-CD1 3.42Å; G105-F146 VanDerWaalsContact O-CE1 3.31Å; G105-F146 WeakPolarHBondContact O-CE1 3.41Å
106P96.4Very high96Very high57 Ų5741.3 Ų41.337%0.3721%0.208SC..Hα-helixtrans-56.4-39.9-179.8-2934.3000113.5Y101 H108 R109 F146Y101-P106 WeakPolarHBondContact O-CD 3.27Å; P106-H108 PolarHBondContact O-N 3.12Å; P106-R109 WeakPolarHBondContact O-CB 3.5Å; P106-R109 PolarHBondContact O-N 3.05Å; P106-F146 HydrophobicContact CB-CE2 4.34Å; P106-F146 HydrophobicContact CB-CZ 4.17Å; P106-F146 HydrophobicContact CG-CD2 4.08Å; P106-F146 HydrophobicContact CG-CE2 3.61Å; P106-F146 HydrophobicContact CG-CZ 3.89Å
107R95.6Very high96.1Very high185 Ų18544.9 Ų44.970%0.69822%0.221SC*.Hα-helixtrans-60.3-28.7178.3-177.7177.8-176.8172.11.4113.3V103 G105V103-R107 WeakPolarHBondContact O-CB 3.27Å; V103-R107 PolarHBondContact O-N 3.25Å; V103-R107 VanDerWaalsContact O-N 3.16Å; G105-R107 VanDerWaalsContact C-N 3.29Å; G105-R107 PolarHBondContact O-N 3.41Å
108H94.1Very high96.1Very high29 Ų2950.2 Ų50.213%0.13424%0.241CC..THydrogen-bonded Turntrans-117.614.5-174.6-62.3-52.2000113.4F87 L104 G105 P106 D110 A111 V112F87-H108 HydrophobicContact CE1-CB 3.93Å; F87-H108 AromaticContact CE1-CG 3.9Å; F87-H108 HydrophobicContact CZ-CB 3.66Å; F87-H108 AromaticContact CZ-CD2 3.97Å; F87-H108 AromaticContact CZ-CG 3.47Å; F87-H108 VanDerWaalsContact CZ-CG 3.47Å; F87-H108 AromaticContact CZ-ND1 3.61Å; L104-H108 PolarHBondContact O-CD2 2.97Å; L104-H108 VanDerWaalsContact O-CD2 3.27Å; L104-H108 PolarHBondContact O-N 3.43Å; G105-H108 CarbonylContact O-C 3.48Å; G105-H108 PolarHBondContact O-N 3.12Å; P106-H108 PolarHBondContact O-N 3.12Å; H108-D110 PolarHBondContact O-N 3.4Å; H108-A111 PolarHBondContact O-N 3.48Å; H108-V112 WeakPolarHBondContact O-CG2 3.27Å; H108-V112 PolarHBondContact O-N 2.94Å; H108-V112 VanDerWaalsContact O-N 3.1Å
109R96Very high96Very high92 Ų9250.4 Ų50.435%0.34724%0.242SC..Hα-helixtrans-49.9-59.4179.7-178.7-177.7179.9154.410.2112.1G105 P106 A111 V112 E113 F146G105-R109 PolarHBondContact O-N 3.29Å; P106-R109 WeakPolarHBondContact O-CB 3.5Å; P106-R109 PolarHBondContact O-N 3.05Å; R109-A111 VanDerWaalsContact C-N 3.27Å; R109-A111 PolarHBondContact O-N 3.11Å; R109-V112 PolarHBondContact O-N 3Å; R109-E113 HydrophobicContact CG-CG 4.23Å; R109-E113 WeakPolarHBondContact CG-OE1 3.27Å; R109-E113 IonicContact CZ-OE1 3.92Å; R109-E113 IonicContact NE-OE1 3.89Å; R109-E113 PolarHBondContact NE-OE1 2.84Å; R109-E113 IonicContact NE-OE2 3.89Å; R109-E113 IonicContact NH2-OE1 2.8Å; R109-E113 PolarHBondContact NH2-OE1 3.25Å; R109-E113 PolarHBondContact O-N 3.21Å; R109-F146 HydrophobicContact CB-CE1 4.02Å; R109-F146 HydrophobicContact CB-CZ 4.25Å; R109-F146 HydrophobicContact CG-CE1 4.22Å; R109-F146 HydrophobicContact CG-CZ 4.32Å
110D96.6Very high96Very high129 Ų12950.2 Ų50.269%0.6924%0.241SC*.Hα-helixtrans-58.4-40.3-174.3-57-17.6000112.3H108 E114H108-D110 PolarHBondContact O-N 3.4Å; D110-E114 WeakPolarHBondContact O-CB 3.3Å; D110-E114 PolarHBondContact O-N 3.02Å
111A95.6Very high96Very high42 Ų4256.1 Ų56.135%0.34727%0.269SS..Hα-helixtrans-66.3-41.1178.900000111.8F87 H108 R109 L115F87-A111 HydrophobicContact CD2-CB 4.21Å; F87-A111 HydrophobicContact CE2-CB 3.85Å; H108-A111 PolarHBondContact O-N 3.48Å; R109-A111 VanDerWaalsContact C-N 3.27Å; R109-A111 PolarHBondContact O-N 3.11Å; A111-L115 VanDerWaalsContact O-CG 3.23Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; A111-L115 PolarHBondContact O-N 2.83Å
112V94.6Very high95.8Very high9 Ų958.5 Ų58.56%0.05528%0.281CS..Hα-helixtrans-72.9-44.5179171.80000111.5I59 F87 H108 R109 E114 L115 V116 I147I59-V112 HydrophobicContact CD1-CB 4.38Å; I59-V112 HydrophobicContact CD1-CG1 3.49Å; I59-V112 VanDerWaalsContact CD1-CG1 3.49Å; I59-V112 HydrophobicContact CD1-CG2 4.05Å; F87-V112 HydrophobicContact CD1-CG2 4.47Å; H108-V112 WeakPolarHBondContact O-CG2 3.27Å; H108-V112 PolarHBondContact O-N 2.94Å; H108-V112 VanDerWaalsContact O-N 3.1Å; R109-V112 PolarHBondContact O-N 3Å; V112-E114 VanDerWaalsContact C-N 3.29Å; V112-E114 PolarHBondContact O-N 3.03Å; V112-L115 WeakPolarHBondContact O-CB 3.26Å; V112-L115 PolarHBondContact O-N 3.2Å; V112-V116 HydrophobicContact CG1-CG2 4.47Å; V112-V116 WeakPolarHBondContact O-CG2 3.18Å; V112-V116 PolarHBondContact O-N 3.4Å; V112-I147 HydrophobicContact CG1-CD1 3.88Å; V112-I147 HydrophobicContact CG1-CG1 3.9Å; V112-I147 HydrophobicContact CG1-CG2 4.08Å; V112-I147 HydrophobicContact CG2-CD1 4.28Å
113E96.5Very high95.6Very high48 Ų4857.2 Ų57.222%0.22427%0.273CS..Hα-helixtrans-59.8-41.7177-74.7-174.1-177.800111R109 L115 V116 R117 C150R109-E113 HydrophobicContact CG-CG 4.23Å; R109-E113 WeakPolarHBondContact CG-OE1 3.27Å; R109-E113 IonicContact CZ-OE1 3.92Å; R109-E113 IonicContact NE-OE1 3.89Å; R109-E113 PolarHBondContact NE-OE1 2.84Å; R109-E113 IonicContact NE-OE2 3.89Å; R109-E113 IonicContact NH2-OE1 2.8Å; R109-E113 PolarHBondContact NH2-OE1 3.25Å; R109-E113 PolarHBondContact O-N 3.21Å; E113-L115 PolarHBondContact O-N 2.87Å; E113-V116 PolarHBondContact O-N 3.5Å; E113-R117 WeakPolarHBondContact O-CB 3.3Å; E113-R117 PolarHBondContact O-N 3.37Å; E113-C150 HydrophobicContact CG-CB 4.25Å
114E97.1Very high95.3Very high58 Ų5861.9 Ų61.927%0.27130%0.296SS..Hα-helixtrans-61.9-40.8175.5175.160-170.400112.6D110 V112 R117 R118D110-E114 WeakPolarHBondContact O-CB 3.3Å; D110-E114 PolarHBondContact O-N 3.02Å; V112-E114 VanDerWaalsContact C-N 3.29Å; V112-E114 PolarHBondContact O-N 3.03Å; E114-R117 PolarHBondContact O-N 2.8Å; E114-R117 IonicContact OE1-CZ 2.77Å; E114-R117 IonicContact OE1-NH2 3.84Å; E114-R117 PolarHBondContact OE1-NH2 2.85Å; E114-R117 IonicContact OE2-CZ 3.81Å; E114-R117 IonicContact OE2-NE 3.78Å; E114-R117 PolarHBondContact OE2-NE 3.45Å; E114-R117 IonicContact OE2-NH2 3.16Å; E114-R117 PolarHBondContact OE2-NH2 3.25Å; E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 IonicContact OE1-CZ 3.78Å; E114-R118 VanDerWaalsContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 2.61Å; E114-R118 PolarHBondContact OE1-NE 3.26Å; E114-R118 IonicContact OE1-NH2 3.56Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å
115L96.7Very high95Very high23 Ų2365.5 Ų65.512%0.1231%0.313CS..Hα-helixtrans-63.6-46.4176.3-73.9169.6000111.9V57 T84 F87 A111 V112 E113 E119V57-L115 HydrophobicContact CG1-CB 3.99Å; T84-L115 WeakPolarHBondContact O-CD2 3.09Å; F87-L115 HydrophobicContact CB-CD1 3.61Å; F87-L115 HydrophobicContact CD2-CD1 4.43Å; F87-L115 HydrophobicContact CG-CD1 4.43Å; A111-L115 VanDerWaalsContact O-CG 3.23Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; A111-L115 PolarHBondContact O-N 2.83Å; V112-L115 WeakPolarHBondContact O-CB 3.26Å; V112-L115 PolarHBondContact O-N 3.2Å; E113-L115 PolarHBondContact O-N 2.87Å; L115-E119 PolarHBondContact O-N 3.17Å
116V97.4Very high95Very high3 Ų367 Ų672%0.01832%0.321CS..Hα-helixtrans-64.6-44.5177.4174.90000110.4V57 V112 E113 R118 E119 V120 F129 L151 Y155V57-V116 HydrophobicContact CG2-CG2 4.37Å; V112-V116 HydrophobicContact CG1-CG2 4.47Å; V112-V116 WeakPolarHBondContact O-CG2 3.18Å; V112-V116 PolarHBondContact O-N 3.4Å; E113-V116 PolarHBondContact O-N 3.5Å; V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 3.47Å; V116-E119 PolarHBondContact O-N 3.36Å; V116-E119 VanDerWaalsContact O-N 3.12Å; V116-V120 HydrophobicContact CG1-CG2 4.06Å; V116-V120 WeakPolarHBondContact O-CG2 3.5Å; V116-V120 PolarHBondContact O-N 3.37Å; V116-F129 HydrophobicContact CG1-CE1 3.65Å; V116-F129 HydrophobicContact CG1-CZ 4.15Å; V116-L151 HydrophobicContact CB-CD2 4.42Å; V116-L151 HydrophobicContact CG1-CD2 3.66Å; V116-L151 HydrophobicContact CG2-CD2 4.18Å; V116-Y155 HydrophobicContact CG1-CE2 4.02Å
117R97.4Very high94.8Very high85 Ų8564.8 Ų64.832%0.32131%0.307SS..Hα-helixtrans-56-46.9178.8-172.6-17166.571.57.2111.7E113 E114 E119 V120 E121 Y155E113-R117 WeakPolarHBondContact O-CB 3.3Å; E113-R117 PolarHBondContact O-N 3.37Å; E114-R117 PolarHBondContact O-N 2.8Å; E114-R117 IonicContact OE1-CZ 2.77Å; E114-R117 IonicContact OE1-NH2 3.84Å; E114-R117 PolarHBondContact OE1-NH2 2.85Å; E114-R117 IonicContact OE2-CZ 3.81Å; E114-R117 IonicContact OE2-NE 3.78Å; E114-R117 PolarHBondContact OE2-NE 3.45Å; E114-R117 IonicContact OE2-NH2 3.16Å; E114-R117 PolarHBondContact OE2-NH2 3.25Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 PolarHBondContact O-N 3.06Å; R117-V120 PolarHBondContact O-N 3.08Å; R117-E121 IonicContact CZ-OE1 3.97Å; R117-E121 IonicContact CZ-OE2 2.78Å; R117-E121 IonicContact NH1-OE1 3.31Å; R117-E121 PolarHBondContact NH1-OE1 3Å; R117-E121 IonicContact NH1-OE2 3.63Å; R117-E121 PolarHBondContact NH1-OE2 3.07Å; R117-E121 WeakPolarHBondContact O-CG 3.37Å; R117-E121 PolarHBondContact O-N 3.15Å; R117-Y155 WeakPolarHBondContact CA-OH 2.98Å
118R96.3Very high94.8Very high111 Ų11156 Ų5642%0.41927%0.273SS..Hα-helixtrans-58.6-43.2176.1-72.3175.2-172.4-173.74.8112.5E114 V116 E121 H122E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 IonicContact OE1-CZ 3.78Å; E114-R118 VanDerWaalsContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 2.61Å; E114-R118 PolarHBondContact OE1-NE 3.26Å; E114-R118 IonicContact OE1-NH2 3.56Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å; V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 3.47Å; R118-E121 PolarHBondContact O-N 2.64Å; R118-H122 PolarHBondContact O-CD2 3Å; R118-H122 PolarHBondContact O-N 3.38Å
119E96.1Very high95Very high4 Ų454.6 Ų54.62%0.01927%0.267CS..Hα-helixtrans-69-36.9179.4-165.458.8-130.900111.9V4 R55 V57 S85 L115 V116 R117 H122 C123V4-E119 HydrophobicContact CG1-CB 4.35Å; V4-E119 HydrophobicContact CG1-CG 3.85Å; V4-E119 HydrophobicContact CG2-CG 4.08Å; R55-E119 WeakPolarHBondContact CA-OE1 3.49Å; V57-E119 HydrophobicContact CG2-CB 4.05Å; V57-E119 HydrophobicContact CG2-CG 4.35Å; S85-E119 PolarHBondContact OG-OE2 2.65Å; L115-E119 PolarHBondContact O-N 3.17Å; V116-E119 PolarHBondContact O-N 3.36Å; V116-E119 VanDerWaalsContact O-N 3.12Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 PolarHBondContact O-N 3.06Å; E119-H122 WeakPolarHBondContact O-CB 3.34Å; E119-H122 PolarHBondContact O-N 3.28Å; E119-C123 PolarHBondContact O-SG 2.88Å; E119-C123 VanDerWaalsContact O-SG 3.35Å
120V96.1Very high95.1Very high22 Ų2250.3 Ų50.313%0.13325%0.251CS..Hα-helixtrans-66.1-41.2174.6171.20000111.4V4 V116 R117 H122 C123 L126 F129 Y155V4-V120 HydrophobicContact CG2-CG2 4.4Å; V116-V120 HydrophobicContact CG1-CG2 4.06Å; V116-V120 WeakPolarHBondContact O-CG2 3.5Å; V116-V120 PolarHBondContact O-N 3.37Å; R117-V120 PolarHBondContact O-N 3.08Å; V120-H122 PolarHBondContact O-N 3.13Å; V120-C123 WeakPolarHBondContact O-CB 3.17Å; V120-C123 PolarHBondContact O-N 3.49Å; V120-L126 HydrophobicContact CG1-CD2 3.91Å; V120-L126 HydrophobicContact CG2-CD1 4.45Å; V120-L126 HydrophobicContact CG2-CD2 4.04Å; V120-F129 HydrophobicContact CG2-CE1 3.67Å; V120-F129 HydrophobicContact CG2-CZ 3.72Å; V120-Y155 HydrophobicContact CB-CE1 4.47Å; V120-Y155 HydrophobicContact CG1-CE1 3.94Å; V120-Y155 HydrophobicContact CG2-CE1 4.34Å
121E95.2Very high95.2Very high125 Ų12544.2 Ų44.258%0.58422%0.218SC*.Hα-helixtrans-64.9-19.7176.5-75.1177171.900113.4R117 R118 C123R117-E121 IonicContact CZ-OE1 3.97Å; R117-E121 IonicContact CZ-OE2 2.78Å; R117-E121 IonicContact NH1-OE1 3.31Å; R117-E121 PolarHBondContact NH1-OE1 3Å; R117-E121 IonicContact NH1-OE2 3.63Å; R117-E121 PolarHBondContact NH1-OE2 3.07Å; R117-E121 WeakPolarHBondContact O-CG 3.37Å; R117-E121 PolarHBondContact O-N 3.15Å; R118-E121 PolarHBondContact O-N 2.64Å; E121-C123 VanDerWaalsContact C-N 3.28Å
122H92.6Very high95.3Very high86 Ų8642.2 Ų42.240%0.39820%0.202SC..THydrogen-bonded Turntrans-81.4-4.5170.4-70-37000114R55 R118 E119 V120R55-H122 PolarHBondContact NH1-O 3.44Å; R118-H122 PolarHBondContact O-CD2 3Å; R118-H122 PolarHBondContact O-N 3.38Å; E119-H122 WeakPolarHBondContact O-CB 3.34Å; E119-H122 PolarHBondContact O-N 3.28Å; V120-H122 PolarHBondContact O-N 3.13Å
123C92Very high95.5Very high16 Ų1641.8 Ų41.811%0.10820%0.199CC..  trans-94.2125.9176.5-60.60000109.7S2 R55 E119 V120 E121 M125S2-C123 WeakPolarHBondContact CB-SG 3.34Å; R55-C123 PolarHBondContact NH1-SG 3.45Å; E119-C123 PolarHBondContact O-SG 2.88Å; E119-C123 VanDerWaalsContact O-SG 3.35Å; V120-C123 WeakPolarHBondContact O-CB 3.17Å; V120-C123 PolarHBondContact O-N 3.49Å; E121-C123 VanDerWaalsContact C-N 3.28Å; C123-M125 PolarHBondContact O-N 3.39Å
124D88.8Confident95.4Very high156 Ų15640.6 Ų40.683%0.83420%0.196SC*.SBendtrans-61.8-35.6172.2-58.1-47.2000110.9
125M90.4Very high95.3Very high93 Ų9337.8 Ų37.846%0.45818%0.183SC..SBendtrans-154.5113.1176.6-176.4164.361.800110M1 S2 C123M1-M125 WeakPolarHBondContact CA-O 3.43Å; M1-M125 HydrophobicContact CB-CE 4.49Å; M1-M125 HydrophobicContact CE-CE 3.5Å; M1-M125 HydrophobicContact CE-CG 3.46Å; M1-M125 VanDerWaalsContact CE-CG 3.46Å; M1-M125 HydrophobicContact CE-SD 3.28Å; M1-M125 WeakPolarHBondContact CE-SD 3.47Å; M1-M125 HydrophobicContact CG-CB 4.3Å; M1-M125 HydrophobicContact CG-CE 3.22Å; M1-M125 HydrophobicContact CG-CG 3.83Å; M1-M125 HydrophobicContact CG-SD 4.1Å; M1-M125 HydrophobicContact SD-CE 4.12Å; M1-M125 HydrophobicContact SD-CG 4.3Å; M1-M125 HydrophobicContact SD-SD 4.49Å; S2-M125 PolarHBondContact N-O 2.98Å; C123-M125 PolarHBondContact O-N 3.39Å
126L93.6Very high95Very high35 Ų3537.1 Ų37.118%0.18318%0.181CC..EExtended strand (participates in β ladder)trans-76.1121.8178.1179.768.1000110.4V4 V120 F129 Y155 S158V4-L126 HydrophobicContact CB-CD1 4.44Å; V4-L126 HydrophobicContact CG2-CD1 3.87Å; V120-L126 HydrophobicContact CG1-CD2 3.91Å; V120-L126 HydrophobicContact CG2-CD1 4.45Å; V120-L126 HydrophobicContact CG2-CD2 4.04Å; L126-F129 HydrophobicContact CD1-CE1 4.49Å; L126-F129 HydrophobicContact CD2-CE1 4.33Å; L126-F129 HydrophobicContact CD2-CE2 3.85Å; L126-F129 HydrophobicContact CD2-CZ 3.6Å; L126-Y155 HydrophobicContact CD2-CD1 4.48Å; L126-S158 WeakPolarHBondContact CD2-OG 3.25Å
127A92.2Very high94.5Very high9 Ų937.8 Ų37.87%0.07419%0.188CC..EExtended strand (participates in β ladder)trans-81.9-36.2170.200000112.2M1 S2 V3 F159M1-A127 HydrophobicContact CB-CB 3.74Å; M1-A127 HydrophobicContact CG-CB 4.45Å; M1-A127 HydrophobicContact SD-CB 3.78Å; S2-A127 WeakPolarHBondContact O-CB 3.46Å; S2-A127 PolarHBondContact O-N 2.86Å; V3-A127 HydrophobicContact CG2-CB 4.11Å; A127-F159 WeakPolarHBondContact O-CD2 3.45Å
128G95.6Very high93.9Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans159.4-176.3-174.900000113.2V4 F159V4-G128 PolarHBondContact N-O 2.75Å; G128-F159 CarbonylContact C-O 3.58Å; G128-F159 WeakPolarHBondContact CA-O 3.38Å
129F97.9Very high93.7Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-110.2145.2-179.3-58.2-80.3000111.1V4 V6 V116 V120 L126 L151 Y155 F159 L161V4-F129 HydrophobicContact CB-CD1 3.9Å; V4-F129 HydrophobicContact CB-CE1 4.09Å; V4-F129 HydrophobicContact CG1-CD1 4.2Å; V4-F129 HydrophobicContact CG1-CE1 4.33Å; V4-F129 VanDerWaalsContact O-CA 3.31Å; V4-F129 WeakPolarHBondContact O-CA 3.37Å; V6-F129 HydrophobicContact CG2-CD1 4.36Å; V116-F129 HydrophobicContact CG1-CE1 3.65Å; V116-F129 HydrophobicContact CG1-CZ 4.15Å; V120-F129 HydrophobicContact CG2-CE1 3.67Å; V120-F129 HydrophobicContact CG2-CZ 3.72Å; L126-F129 HydrophobicContact CD1-CE1 4.49Å; L126-F129 HydrophobicContact CD2-CE1 4.33Å; L126-F129 HydrophobicContact CD2-CE2 3.85Å; L126-F129 HydrophobicContact CD2-CZ 3.6Å; F129-L151 HydrophobicContact CB-CD1 4.09Å; F129-L151 HydrophobicContact CD1-CD1 4.38Å; F129-L151 HydrophobicContact CD1-CD2 4.09Å; F129-L151 HydrophobicContact CD2-CB 4.48Å; F129-L151 HydrophobicContact CD2-CD2 4.42Å; F129-L151 HydrophobicContact CE1-CD2 4.02Å; F129-L151 HydrophobicContact CE2-CD2 4.35Å; F129-L151 HydrophobicContact CG-CD1 4.07Å; F129-L151 HydrophobicContact CG-CD2 4.29Å; F129-L151 HydrophobicContact CZ-CD2 4.14Å; F129-Y155 AromaticContact CE2-CD2 3.65Å; F129-Y155 HydrophobicContact CE2-CD2 3.65Å; F129-Y155 HydrophobicContact CE2-CE2 4.44Å; F129-Y155 AromaticContact CE2-CG 3.73Å; F129-Y155 HydrophobicContact CE2-CG 3.73Å; F129-Y155 HydrophobicContact CZ-CD1 4.37Å; F129-Y155 AromaticContact CZ-CD2 3.48Å; F129-Y155 HydrophobicContact CZ-CD2 3.48Å; F129-Y155 VanDerWaalsContact CZ-CD2 3.48Å; F129-Y155 AromaticContact CZ-CE2 3.82Å; F129-Y155 HydrophobicContact CZ-CE2 3.82Å; F129-Y155 AromaticContact CZ-CG 3.79Å; F129-Y155 HydrophobicContact CZ-CG 3.79Å; F129-F159 PolarHBondContact N-O 3.33Å; F129-L161 PolarHBondContact O-N 2.64Å
130I98.2Very high93.5Very high3 Ų329.2 Ų29.22%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-120.589.4166.2-55.8178.4000108V3 V4 T5 V6 I132 L161 L232 I249V3-I130 HydrophobicContact CG1-CD1 3.6Å; V3-I130 HydrophobicContact CG1-CG1 3.66Å; V4-I130 PolarHBondContact O-N 2.78Å; T5-I130 CarbonylContact C-O 3.58Å; T5-I130 VanDerWaalsContact CA-O 3.3Å; T5-I130 WeakPolarHBondContact CA-O 3.18Å; T5-I130 HydrophobicContact CG2-CB 4.45Å; V6-I130 PolarHBondContact N-O 3.07Å; I130-I132 HydrophobicContact CG2-CG1 3.98Å; I130-L161 WeakPolarHBondContact CA-O 3.45Å; I130-L161 HydrophobicContact CG1-CB 4.39Å; I130-L232 HydrophobicContact CD1-CD1 3.79Å; I130-L232 HydrophobicContact CD1-CD2 3.64Å; I130-L232 HydrophobicContact CD1-CG 4.38Å; I130-I249 HydrophobicContact CD1-CD1 4.04Å; I130-I249 HydrophobicContact CG1-CD1 3.79Å
131P98.6Very high93.4Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-69.4132.1168-11.126.6000109.7V6 L8 M133 L151 V160 L161 N162 H163V6-P131 HydrophobicContact CB-CB 4.42Å; V6-P131 CarbonylContact O-C 3.54Å; V6-P131 VanDerWaalsContact O-CA 3.26Å; V6-P131 WeakPolarHBondContact O-CA 3.2Å; L8-P131 HydrophobicContact CD1-CB 4.01Å; P131-M133 HydrophobicContact CB-CE 3.7Å; P131-L151 HydrophobicContact CG-CD1 4.02Å; P131-V160 HydrophobicContact CG-CG1 4.07Å; P131-L161 WeakPolarHBondContact CD-O 3.25Å; P131-N162 VanDerWaalsContact CB-OD1 3.32Å; P131-N162 WeakPolarHBondContact CB-OD1 3.36Å; P131-H163 PolarHBondContact O-N 3Å
132I98.6Very high93.5Very high0 Ų022.2 Ų22.20%013%0.125CC..EExtended strand (participates in β ladder)trans-119.9115-177.8-54.6179000107.2V6 L8 G12 V15 L19 I130 H163V6-I132 PolarHBondContact O-N 2.86Å; L8-I132 PolarHBondContact N-O 2.95Å; G12-I132 WeakPolarHBondContact CA-O 3.44Å; V15-I132 HydrophobicContact CB-CG2 4.12Å; V15-I132 HydrophobicContact CG1-CG2 3.93Å; L19-I132 HydrophobicContact CD2-CD1 3.83Å; I130-I132 HydrophobicContact CG2-CG1 3.98Å; I132-H163 HydrophobicContact CG1-CB 4.31Å; I132-H163 WeakPolarHBondContact CG2-ND1 3.23Å
133M97.4Very high93.7Very high0 Ų018.3 Ų18.30%011%0.107CC..EExtended strand (participates in β ladder)trans-149.3168.3-175.668.8-171.48700112.8L8 P131 G140 N162 H163 L164 T165 L187L8-M133 HydrophobicContact CB-CB 3.95Å; L8-M133 HydrophobicContact CD1-CE 3.72Å; P131-M133 HydrophobicContact CB-CE 3.7Å; M133-G140 WeakPolarHBondContact CB-O 3.4Å; M133-G140 VanDerWaalsContact SD-O 3.33Å; M133-N162 WeakPolarHBondContact CE-OD1 3.23Å; M133-H163 PolarHBondContact N-O 3.45Å; M133-L164 HydrophobicContact CG-CD2 3.32Å; M133-L164 WeakPolarHBondContact O-CA 3.25Å; M133-L164 HydrophobicContact SD-CD2 3.99Å; M133-T165 PolarHBondContact O-N 3.39Å; M133-L187 HydrophobicContact CE-CD1 4.39Å; M133-L187 HydrophobicContact SD-CD1 3.97Å
134S95.9Very high93.9Very high23 Ų2317.6 Ų17.616%0.16110%0.102CC..EExtended strand (participates in β ladder)trans-94.5146.3164.259.50000110.2A136 S141S134-A136 VanDerWaalsContact C-N 3.34Å; S134-S141 WeakPolarHBondContact O-CB 3.23Å; S134-S141 PolarHBondContact O-N 3.22Å
135V94.6Very high94.4Very high0 Ų010.1 Ų10.10%06%0.062CC..SBendtrans-78.2-19.2-176.5710000113.2S141 L164 T165 W166 P167 N179 S180 T183 L184V135-S141 WeakPolarHBondContact O-CB 3.2Å; V135-L164 HydrophobicContact CG2-CD1 4.28Å; V135-T165 PolarHBondContact N-O 2.96Å; V135-W166 HydrophobicContact CG1-CD2 4.46Å; V135-W166 HydrophobicContact CG1-CE3 4.33Å; V135-P167 HydrophobicContact CG1-CG 4.28Å; V135-N179 CarbonylContact O-C 3.56Å; V135-S180 WeakPolarHBondContact O-CA 3.08Å; V135-T183 HydrophobicContact CG2-CG2 3.92Å; V135-T183 PolarHBondContact O-OG1 3.5Å; V135-L184 HydrophobicContact CG2-CD1 4.19Å; V135-L184 HydrophobicContact CG2-CD2 3.97Å; V135-L184 HydrophobicContact CG2-CG 3.69Å
136A90.4Very high94.7Very high8 Ų86.6 Ų6.67%0.0664%0.044CC..SBendtrans-108.8-10.8-172.600000115.9S134 P167 Q176 N179S134-A136 VanDerWaalsContact C-N 3.34Å; A136-P167 HydrophobicContact CB-CB 3.96Å; A136-P167 HydrophobicContact CB-CG 4.1Å; A136-Q176 HydrophobicContact CB-CB 3.87Å; A136-N179 WeakPolarHBondContact O-CB 3.34Å; A136-N179 PolarHBondContact O-ND2 2.52Å
137G86.8Confident95Very high17 Ų175.1 Ų5.118%0.1754%0.037CC..SBendtrans-87.5140-171.700000113.1T139 G140 S141G137-T139 PolarHBondContact O-N 3.45Å; G137-G140 PolarHBondContact O-N 3.09Å; G137-S141 WeakPolarHBondContact O-CA 3.39Å; G137-S141 WeakPolarHBondContact O-CB 3.27Å; G137-S141 PolarHBondContact O-N 2.93Å; G137-S141 PolarHBondContact O-OG 3.33Å
138G85.4Confident95.2Very high2 Ų24.7 Ų4.72%0.0213%0.033CC..Iπ-helixtrans-55.5-46.7-17400000114.6S93 G142S93-G138 VanDerWaalsContact CB-C 3.46Å; G138-G142 PolarHBondContact O-N 2.59Å; G138-G142 VanDerWaalsContact O-N 3.12Å
139T91.8Very high95.4Very high16 Ų167.4 Ų7.410%0.0985%0.046CC..Iπ-helixtrans-75.9-54.6177.1-56.80000111.9M61 S93 G137 S141 V143 G144M61-T139 HydrophobicContact CB-CG2 4.26Å; M61-T139 HydrophobicContact CG-CG2 3.72Å; S93-T139 WeakPolarHBondContact OG-CA 3.29Å; S93-T139 PolarHBondContact OG-N 3.26Å; S93-T139 PolarHBondContact OG-OG1 3.36Å; G137-T139 PolarHBondContact O-N 3.45Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 3.13Å; T139-V143 HydrophobicContact CG2-CB 4.38Å; T139-V143 HydrophobicContact CG2-CG2 4.3Å; T139-V143 VanDerWaalsContact O-CB 3.27Å; T139-V143 WeakPolarHBondContact O-CB 3.27Å; T139-V143 PolarHBondContact O-N 3.43Å; T139-V143 VanDerWaalsContact O-N 3.12Å; T139-G144 PolarHBondContact O-N 2.98Å
140G92Very high95.4Very high3 Ų37.8 Ų7.83%0.0315%0.048CC..Iπ-helixtrans-58.5-40.3-175.800000112.5M133 G137 G144M133-G140 WeakPolarHBondContact CB-O 3.4Å; M133-G140 VanDerWaalsContact SD-O 3.33Å; G137-G140 PolarHBondContact O-N 3.09Å; G140-G144 VanDerWaalsContact O-CA 3.3Å; G140-G144 WeakPolarHBondContact O-CA 3.29Å; G140-G144 PolarHBondContact O-N 2.93Å
141S93.9Very high95.3Very high0 Ų07.9 Ų7.90%05%0.049CC..Iπ-helixtrans-86.5-56-176.579.10000112S134 V135 G137 T139 T145 T183S134-S141 WeakPolarHBondContact O-CB 3.23Å; S134-S141 PolarHBondContact O-N 3.22Å; V135-S141 WeakPolarHBondContact O-CB 3.2Å; G137-S141 WeakPolarHBondContact O-CA 3.39Å; G137-S141 WeakPolarHBondContact O-CB 3.27Å; G137-S141 PolarHBondContact O-N 2.93Å; G137-S141 PolarHBondContact O-OG 3.33Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 3.13Å; S141-T145 VanDerWaalsContact O-CB 3.29Å; S141-T145 WeakPolarHBondContact O-CB 3.44Å; S141-T145 PolarHBondContact O-N 2.8Å; S141-T145 PolarHBondContact O-OG1 3.2Å; S141-T183 WeakPolarHBondContact CB-OG1 3.42Å
142G96.8Very high95.3Very high0 Ų010.1 Ų10.10%06%0.057CC..Iπ-helixtrans-67.8-59.5-177.600000113.5W97 G138 G144 T145 F146W97-G142 VanDerWaalsContact CD1-N 3.34Å; G138-G142 PolarHBondContact O-N 2.59Å; G138-G142 VanDerWaalsContact O-N 3.12Å; G142-G144 VanDerWaalsContact C-N 3.28Å; G142-G144 PolarHBondContact O-N 3.35Å; G142-T145 PolarHBondContact O-N 2.78Å; G142-F146 PolarHBondContact O-N 3.08Å
143V96.7Very high95.2Very high4 Ų414.4 Ų14.42%0.0248%0.08CC..Iπ-helixtrans-64.4-37.2177.7-175.50000110.3M61 G100 L104 T139 T145 F146 I147M61-V143 HydrophobicContact CE-CG1 4.21Å; M61-V143 HydrophobicContact CG-CG2 4.32Å; G100-V143 WeakPolarHBondContact O-CG2 3.41Å; L104-V143 HydrophobicContact CB-CG2 4.09Å; T139-V143 HydrophobicContact CG2-CB 4.38Å; T139-V143 HydrophobicContact CG2-CG2 4.3Å; T139-V143 VanDerWaalsContact O-CB 3.27Å; T139-V143 WeakPolarHBondContact O-CB 3.27Å; T139-V143 PolarHBondContact O-N 3.43Å; T139-V143 VanDerWaalsContact O-N 3.12Å; V143-T145 PolarHBondContact O-N 3.06Å; V143-F146 PolarHBondContact O-N 3.35Å; V143-I147 HydrophobicContact CG1-CD1 3.65Å; V143-I147 HydrophobicContact CG1-CG1 4.27Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.39Å; V143-I147 PolarHBondContact O-N 3.45Å
144G97.4Very high95.2Very high0 Ų017.6 Ų17.60%010%0.099CC..Hα-helixtrans-64.8-36.9177.100000114.6T139 G140 G142 I147 T148T139-G144 PolarHBondContact O-N 2.98Å; G140-G144 VanDerWaalsContact O-CA 3.3Å; G140-G144 WeakPolarHBondContact O-CA 3.29Å; G140-G144 PolarHBondContact O-N 2.93Å; G142-G144 VanDerWaalsContact C-N 3.28Å; G142-G144 PolarHBondContact O-N 3.35Å; G144-I147 PolarHBondContact O-N 2.88Å; G144-T148 WeakPolarHBondContact O-CB 3.42Å; G144-T148 PolarHBondContact O-N 3.17Å; G144-T148 PolarHBondContact O-OG1 2.68Å
145T98.1Very high95.2Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-64.3-46.7173.6-56.80000110.7W97 Y101 S141 G142 V143 I147 T148 Q149 H186 L187 L190W97-T145 HydrophobicContact CZ2-CG2 4.09Å; W97-T145 PolarHBondContact NE1-OG1 3.4Å; Y101-T145 HydrophobicContact CD2-CG2 4.06Å; Y101-T145 HydrophobicContact CE2-CG2 3.84Å; S141-T145 VanDerWaalsContact O-CB 3.29Å; S141-T145 WeakPolarHBondContact O-CB 3.44Å; S141-T145 PolarHBondContact O-N 2.8Å; S141-T145 PolarHBondContact O-OG1 3.2Å; G142-T145 PolarHBondContact O-N 2.78Å; V143-T145 PolarHBondContact O-N 3.06Å; T145-I147 VanDerWaalsContact C-N 3.34Å; T145-I147 PolarHBondContact O-N 2.97Å; T145-T148 WeakPolarHBondContact O-CB 3.47Å; T145-T148 PolarHBondContact O-N 3.39Å; T145-Q149 PolarHBondContact O-N 3.31Å; T145-H186 HydrophobicContact CG2-CB 3.34Å; T145-L187 HydrophobicContact CG2-CD2 4.31Å; T145-L190 HydrophobicContact CG2-CD1 4.26Å
146F98Very high95.2Very high19 Ų1922.5 Ų22.58%0.08313%0.126CC..Hα-helixtrans-61.1-42.1177.7-179.9-95.4000112.2Y101 G105 P106 R109 G142 V143 T148 Q149 C150Y101-F146 HydrophobicContact CD2-CB 3.69Å; Y101-F146 HydrophobicContact CE2-CB 4.05Å; Y101-F146 HydrophobicContact CE2-CD2 4.41Å; G105-F146 VanDerWaalsContact CA-CD1 3.42Å; G105-F146 VanDerWaalsContact O-CE1 3.31Å; G105-F146 WeakPolarHBondContact O-CE1 3.41Å; P106-F146 HydrophobicContact CB-CE2 4.34Å; P106-F146 HydrophobicContact CB-CZ 4.17Å; P106-F146 HydrophobicContact CG-CD2 4.08Å; P106-F146 HydrophobicContact CG-CE2 3.61Å; P106-F146 HydrophobicContact CG-CZ 3.89Å; R109-F146 HydrophobicContact CB-CE1 4.02Å; R109-F146 HydrophobicContact CB-CZ 4.25Å; R109-F146 HydrophobicContact CG-CE1 4.22Å; R109-F146 HydrophobicContact CG-CZ 4.32Å; G142-F146 PolarHBondContact O-N 3.08Å; V143-F146 PolarHBondContact O-N 3.35Å; F146-T148 VanDerWaalsContact C-N 3.33Å; F146-T148 PolarHBondContact O-N 2.9Å; F146-Q149 WeakPolarHBondContact O-CB 3.45Å; F146-Q149 PolarHBondContact O-N 3.21Å; F146-C150 WeakPolarHBondContact CE1-SG 3.3Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.03Å
147I97.9Very high95.3Very high4 Ų427.6 Ų27.62%0.02116%0.161CC..Hα-helixtrans-65.7-40.2177.2-69.8168.7000110.6V6 L8 I59 V112 V143 G144 T145 Q149 C150 L151V6-I147 HydrophobicContact CG1-CG2 4.11Å; L8-I147 HydrophobicContact CD2-CB 4.44Å; L8-I147 HydrophobicContact CD2-CD1 3.44Å; L8-I147 VanDerWaalsContact CD2-CD1 3.44Å; I59-I147 HydrophobicContact CD1-CD1 3.66Å; I59-I147 HydrophobicContact CG2-CD1 3.91Å; V112-I147 HydrophobicContact CG1-CD1 3.88Å; V112-I147 HydrophobicContact CG1-CG1 3.9Å; V112-I147 HydrophobicContact CG1-CG2 4.08Å; V112-I147 HydrophobicContact CG2-CD1 4.28Å; V143-I147 HydrophobicContact CG1-CD1 3.65Å; V143-I147 HydrophobicContact CG1-CG1 4.27Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.39Å; V143-I147 PolarHBondContact O-N 3.45Å; G144-I147 PolarHBondContact O-N 2.88Å; T145-I147 VanDerWaalsContact C-N 3.34Å; T145-I147 PolarHBondContact O-N 2.97Å; I147-Q149 PolarHBondContact O-N 3.19Å; I147-C150 WeakPolarHBondContact O-CB 3.19Å; I147-C150 PolarHBondContact O-N 2.99Å; I147-C150 VanDerWaalsContact O-N 3.12Å; I147-L151 HydrophobicContact CG2-CD1 4.5Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CG 3.36Å; I147-L151 PolarHBondContact O-N 2.69Å
148T98.3Very high95.7Very high0 Ų027.4 Ų27.40%016%0.157CC..Hα-helixtrans-59.7-39174.8-56.60000111.3G144 T145 F146 L151 R152 V160 N162 L187 L190G144-T148 WeakPolarHBondContact O-CB 3.42Å; G144-T148 PolarHBondContact O-N 3.17Å; G144-T148 PolarHBondContact O-OG1 2.68Å; T145-T148 WeakPolarHBondContact O-CB 3.47Å; T145-T148 PolarHBondContact O-N 3.39Å; F146-T148 VanDerWaalsContact C-N 3.33Å; F146-T148 PolarHBondContact O-N 2.9Å; T148-L151 PolarHBondContact O-N 2.76Å; T148-R152 PolarHBondContact O-N 3.2Å; T148-V160 HydrophobicContact CG2-CG1 4.01Å; T148-N162 VanDerWaalsContact CG2-ND2 3.32Å; T148-N162 WeakPolarHBondContact CG2-ND2 3.49Å; T148-L187 HydrophobicContact CG2-CD2 3.78Å; T148-L190 HydrophobicContact CG2-CB 3.91Å; T148-L190 HydrophobicContact CG2-CD1 4.43Å
149Q98.1Very high96.2Very high56 Ų5631 Ų3126%0.26217%0.173SC..Hα-helixtrans-61.2-48.1172.6-177.3-177.3-14.600111.5Y101 T145 F146 I147 L151 R152 D153 L190Y101-Q149 PolarHBondContact OH-OE1 3.14Å; T145-Q149 PolarHBondContact O-N 3.31Å; F146-Q149 WeakPolarHBondContact O-CB 3.45Å; F146-Q149 PolarHBondContact O-N 3.21Å; I147-Q149 PolarHBondContact O-N 3.19Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.91Å; Q149-R152 PolarHBondContact O-N 2.89Å; Q149-R152 VanDerWaalsContact O-N 3.07Å; Q149-D153 VanDerWaalsContact O-CG 3.29Å; Q149-D153 PolarHBondContact O-N 2.99Å; Q149-L190 HydrophobicContact CB-CD1 3.84Å; Q149-L190 HydrophobicContact CB-CD2 4.05Å; Q149-L190 HydrophobicContact CG-CD2 4.1Å
150C97.9Very high96.5Very high8 Ų830.3 Ų30.35%0.05417%0.168CC..Hα-helixtrans-58.8-40.1176.7-60.10000112.1E113 F146 I147 R152 D153 V154E113-C150 HydrophobicContact CG-CB 4.25Å; F146-C150 WeakPolarHBondContact CE1-SG 3.3Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.03Å; I147-C150 WeakPolarHBondContact O-CB 3.19Å; I147-C150 PolarHBondContact O-N 2.99Å; I147-C150 VanDerWaalsContact O-N 3.12Å; C150-R152 VanDerWaalsContact C-N 3.33Å; C150-R152 PolarHBondContact O-N 3.34Å; C150-D153 PolarHBondContact O-N 2.74Å; C150-V154 WeakPolarHBondContact O-CB 3.36Å; C150-V154 WeakPolarHBondContact O-CG2 3.49Å; C150-V154 PolarHBondContact O-N 2.78Å
151L97.9Very high96.7Very high6 Ų630.4 Ų30.43%0.03117%0.168CC..Hα-helixtrans-61.2-42.8175.5-66.1177.1000111.5V6 V116 F129 P131 I147 T148 Q149 Y155V6-L151 HydrophobicContact CG2-CD1 4.12Å; V116-L151 HydrophobicContact CB-CD2 4.42Å; V116-L151 HydrophobicContact CG1-CD2 3.66Å; V116-L151 HydrophobicContact CG2-CD2 4.18Å; F129-L151 HydrophobicContact CB-CD1 4.09Å; F129-L151 HydrophobicContact CD1-CD1 4.38Å; F129-L151 HydrophobicContact CD1-CD2 4.09Å; F129-L151 HydrophobicContact CD2-CB 4.48Å; F129-L151 HydrophobicContact CD2-CD2 4.42Å; F129-L151 HydrophobicContact CE1-CD2 4.02Å; F129-L151 HydrophobicContact CE2-CD2 4.35Å; F129-L151 HydrophobicContact CG-CD1 4.07Å; F129-L151 HydrophobicContact CG-CD2 4.29Å; F129-L151 HydrophobicContact CZ-CD2 4.14Å; P131-L151 HydrophobicContact CG-CD1 4.02Å; I147-L151 HydrophobicContact CG2-CD1 4.5Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CG 3.36Å; I147-L151 PolarHBondContact O-N 2.69Å; T148-L151 PolarHBondContact O-N 2.76Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.91Å; L151-Y155 HydrophobicContact CD2-CD2 4.5Å; L151-Y155 WeakPolarHBondContact O-CA 3.48Å; L151-Y155 WeakPolarHBondContact O-CB 3.4Å; L151-Y155 PolarHBondContact O-N 3.39Å
152R96.9Very high97Very high47 Ų4730.4 Ų30.418%0.17717%0.168CC..Hα-helixtrans-67.6-39.3178.1-177.957.865.5-1745.6112.1T148 Q149 C150 P156 S158 L190 D192T148-R152 PolarHBondContact O-N 3.2Å; Q149-R152 PolarHBondContact O-N 2.89Å; Q149-R152 VanDerWaalsContact O-N 3.07Å; C150-R152 VanDerWaalsContact C-N 3.33Å; C150-R152 PolarHBondContact O-N 3.34Å; R152-P156 PolarHBondContact NH1-O 3.18Å; R152-P156 VanDerWaalsContact O-CA 3.29Å; R152-P156 WeakPolarHBondContact O-CA 3.23Å; R152-S158 PolarHBondContact NH1-O 2.85Å; R152-L190 PolarHBondContact NE-O 2.9Å; R152-L190 PolarHBondContact NH2-O 3.35Å; R152-D192 IonicContact CZ-OD1 3.05Å; R152-D192 IonicContact CZ-OD2 3.68Å; R152-D192 IonicContact NH1-OD1 2.74Å; R152-D192 IonicContact NH1-OD2 3.09Å; R152-D192 IonicContact NH2-OD1 3.34Å; R152-D192 PolarHBondContact NH2-OD1 3.3Å; R152-D192 IonicContact NH2-OD2 3.49Å; R152-D192 PolarHBondContact NH2-OD2 3.03Å
153D96.6Very high97Very high89 Ų8930.4 Ų30.448%0.47617%0.168SC..Hα-helixtrans-67.3-45179.3-68.8-12.3000111.8Q149 C150Q149-D153 VanDerWaalsContact O-CG 3.29Å; Q149-D153 PolarHBondContact O-N 2.99Å; C150-D153 PolarHBondContact O-N 2.74Å
154V97.1Very high97.1Very high67 Ų6730.2 Ų30.241%0.40617%0.167SC..Hα-helixtrans-81.9-34.6-176.2179.10000112.1C150 P156C150-V154 WeakPolarHBondContact O-CB 3.36Å; C150-V154 WeakPolarHBondContact O-CG2 3.49Å; C150-V154 PolarHBondContact O-N 2.78Å; V154-P156 VanDerWaalsContact C-CD 3.41Å; V154-P156 WeakPolarHBondContact O-CD 3.2Å
155Y96.7Very high97.1Very high40 Ų4030.4 Ų30.416%0.15717%0.168CC..  trans-125.262-176-53.7-79.8000112.2V116 R117 V120 L126 F129 L151 S157 S158V116-Y155 HydrophobicContact CG1-CE2 4.02Å; R117-Y155 WeakPolarHBondContact CA-OH 2.98Å; V120-Y155 HydrophobicContact CB-CE1 4.47Å; V120-Y155 HydrophobicContact CG1-CE1 3.94Å; V120-Y155 HydrophobicContact CG2-CE1 4.34Å; L126-Y155 HydrophobicContact CD2-CD1 4.48Å; F129-Y155 AromaticContact CE2-CD2 3.65Å; F129-Y155 HydrophobicContact CE2-CD2 3.65Å; F129-Y155 HydrophobicContact CE2-CE2 4.44Å; F129-Y155 AromaticContact CE2-CG 3.73Å; F129-Y155 HydrophobicContact CE2-CG 3.73Å; F129-Y155 HydrophobicContact CZ-CD1 4.37Å; F129-Y155 AromaticContact CZ-CD2 3.48Å; F129-Y155 HydrophobicContact CZ-CD2 3.48Å; F129-Y155 VanDerWaalsContact CZ-CD2 3.48Å; F129-Y155 AromaticContact CZ-CE2 3.82Å; F129-Y155 HydrophobicContact CZ-CE2 3.82Å; F129-Y155 AromaticContact CZ-CG 3.79Å; F129-Y155 HydrophobicContact CZ-CG 3.79Å; L151-Y155 HydrophobicContact CD2-CD2 4.5Å; L151-Y155 WeakPolarHBondContact O-CA 3.48Å; L151-Y155 WeakPolarHBondContact O-CB 3.4Å; L151-Y155 PolarHBondContact O-N 3.39Å; Y155-S157 VanDerWaalsContact C-N 3.25Å; Y155-S157 PolarHBondContact O-N 2.69Å; Y155-S158 WeakPolarHBondContact O-CB 3.36Å; Y155-S158 PolarHBondContact O-N 3.49Å
156P95.2Very high97Very high87 Ų8731.5 Ų31.557%0.56517%0.172SC*.THydrogen-bonded Turntrans-63-29-171.524.5-35.2000113.9R152 V154 S158R152-P156 PolarHBondContact NH1-O 3.18Å; R152-P156 VanDerWaalsContact O-CA 3.29Å; R152-P156 WeakPolarHBondContact O-CA 3.23Å; V154-P156 VanDerWaalsContact C-CD 3.41Å; V154-P156 WeakPolarHBondContact O-CD 3.2Å; P156-S158 VanDerWaalsContact C-N 3.35Å
157S92Very high96.8Very high115 Ų11530.9 Ų30.980%0.80417%0.17SC*.THydrogen-bonded Turntrans-82.5-9.1179.259.90000114.4Y155Y155-S157 VanDerWaalsContact C-N 3.25Å; Y155-S157 PolarHBondContact O-N 2.69Å
158S94.4Very high96.7Very high13 Ų1332.2 Ų32.29%0.09118%0.175CC..SBendtrans-86.9141.7-178.8-67.20000110.5L126 R152 Y155 P156L126-S158 WeakPolarHBondContact CD2-OG 3.25Å; R152-S158 PolarHBondContact NH1-O 2.85Å; Y155-S158 WeakPolarHBondContact O-CB 3.36Å; Y155-S158 PolarHBondContact O-N 3.49Å; P156-S158 VanDerWaalsContact C-N 3.35Å
159F96Very high96.1Very high78 Ų7834 Ų3434%0.34219%0.193SC..EExtended strand (participates in β ladder)trans-70.6142.8174.3-65.7-72.5000111.3A127 G128 F129 D192 I249 M253A127-F159 WeakPolarHBondContact O-CD2 3.45Å; G128-F159 CarbonylContact C-O 3.58Å; G128-F159 WeakPolarHBondContact CA-O 3.38Å; F129-F159 PolarHBondContact N-O 3.33Å; F159-D192 VanDerWaalsContact CA-OD2 3.31Å; F159-D192 WeakPolarHBondContact CA-OD2 3.41Å; F159-I249 HydrophobicContact CB-CB 4.38Å; F159-I249 HydrophobicContact CB-CG2 3.54Å; F159-I249 HydrophobicContact CG-CG2 4.24Å; F159-M253 HydrophobicContact CD1-CB 4.44Å; F159-M253 HydrophobicContact CD1-CG 3.97Å; F159-M253 HydrophobicContact CE1-CB 4.41Å; F159-M253 HydrophobicContact CE1-CG 4.43Å
160V97.8Very high95.5Very high0 Ų037.5 Ų37.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.2104.4175.8-177.30000108.9P131 T148 D192P131-V160 HydrophobicContact CG-CG1 4.07Å; T148-V160 HydrophobicContact CG2-CG1 4.01Å; V160-D192 PolarHBondContact N-OD2 2.73Å; V160-D192 PolarHBondContact O-N 3.39Å
161L98Very high94.7Very high5 Ų538.9 Ų38.93%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-99.9100.8172.4174.459.3000109.1F129 I130 P131 H163 A193 L195 I249 M253F129-L161 PolarHBondContact O-N 2.64Å; I130-L161 WeakPolarHBondContact CA-O 3.45Å; I130-L161 HydrophobicContact CG1-CB 4.39Å; P131-L161 WeakPolarHBondContact CD-O 3.25Å; L161-H163 PolarHBondContact O-N 2.96Å; L161-A193 HydrophobicContact CD1-CB 4.19Å; L161-L195 HydrophobicContact CD1-CB 4.07Å; L161-I249 HydrophobicContact CB-CG2 4.13Å; L161-M253 HydrophobicContact CB-CE 3.52Å; L161-M253 HydrophobicContact CD1-CE 3.61Å; L161-M253 HydrophobicContact CD2-CE 4.32Å; L161-M253 HydrophobicContact CG-CE 3.97Å
162N98.3Very high94Very high0 Ų043.4 Ų43.40%026%0.255CS..EExtended strand (participates in β ladder)trans-77.8124.2176.8-96.3-70000110.7P131 M133 T148 S191 A193 I194 L195P131-N162 VanDerWaalsContact CB-OD1 3.32Å; P131-N162 WeakPolarHBondContact CB-OD1 3.36Å; M133-N162 WeakPolarHBondContact CE-OD1 3.23Å; T148-N162 VanDerWaalsContact CG2-ND2 3.32Å; T148-N162 WeakPolarHBondContact CG2-ND2 3.49Å; N162-S191 PolarHBondContact ND2-OG 3.22Å; N162-A193 PolarHBondContact N-O 3.25Å; N162-I194 HydrophobicContact CB-CG1 4.33Å; N162-I194 CarbonylContact O-C 3.56Å; N162-I194 VanDerWaalsContact O-CA 3.32Å; N162-I194 WeakPolarHBondContact O-CA 3.44Å; N162-L195 PolarHBondContact O-N 3.24Å
163H98.3Very high93.6Very high1 Ų143.2 Ų43.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-96.5120.9167.3169.2-89.2000110.1P131 I132 M133 L161 L195 H197P131-H163 PolarHBondContact O-N 3Å; I132-H163 HydrophobicContact CG1-CB 4.31Å; I132-H163 WeakPolarHBondContact CG2-ND1 3.23Å; M133-H163 PolarHBondContact N-O 3.45Å; L161-H163 PolarHBondContact O-N 2.96Å; H163-L195 WeakPolarHBondContact CA-O 3.4Å; H163-H197 AromaticContact CD2-CE1 3.88Å; H163-H197 AromaticContact CD2-ND1 3.33Å; H163-H197 PolarHBondContact CD2-ND1 3Å; H163-H197 VanDerWaalsContact CD2-ND1 3.33Å; H163-H197 AromaticContact NE2-CE1 3.63Å; H163-H197 AromaticContact NE2-CG 3.71Å; H163-H197 AromaticContact NE2-ND1 2.84Å; H163-H197 PolarHBondContact NE2-ND1 3.4Å
164L97.9Very high93.2Very high0 Ų044.3 Ų44.30%026%0.263CS..EExtended strand (participates in β ladder)trans-115.6125.5179.7-60.3-174.1000112.2M133 V135 L184 L187 I194 L195 V196 H197M133-L164 HydrophobicContact CG-CD2 3.32Å; M133-L164 WeakPolarHBondContact O-CA 3.25Å; M133-L164 HydrophobicContact SD-CD2 3.99Å; V135-L164 HydrophobicContact CG2-CD1 4.28Å; L164-L184 HydrophobicContact CD1-CD2 3.42Å; L164-L184 VanDerWaalsContact CD1-CD2 3.42Å; L164-L187 HydrophobicContact CD1-CD1 3.97Å; L164-L187 HydrophobicContact CD2-CD1 3.72Å; L164-L187 HydrophobicContact CG-CD1 4.38Å; L164-I194 HydrophobicContact CB-CG2 4.41Å; L164-I194 HydrophobicContact CD1-CG2 3.4Å; L164-I194 HydrophobicContact CG-CG2 3.72Å; L164-L195 PolarHBondContact N-O 3.49Å; L164-V196 WeakPolarHBondContact O-CA 3.48Å; L164-H197 PolarHBondContact O-N 2.9Å
165T97.4Very high93.1Very high3 Ų341.5 Ų41.52%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-85.2113.9163.1-52.60000109.1C11 M133 V135 H197 N199 I224C11-T165 PolarHBondContact SG-OG1 3.06Å; C11-T165 VanDerWaalsContact SG-OG1 3.41Å; M133-T165 PolarHBondContact O-N 3.39Å; V135-T165 PolarHBondContact N-O 2.96Å; T165-H197 CarbonylContact C-O 3.59Å; T165-H197 WeakPolarHBondContact CA-O 3.21Å; T165-N199 WeakPolarHBondContact CG2-OD1 3.35Å; T165-I224 HydrophobicContact CG2-CD1 4.41Å
166W96.3Very high93Very high23 Ų2340 Ų409%0.08724%0.241CC..EExtended strand (participates in β ladder)trans-75.2137.7176.6-155.2-93.8000110.8V135 L184 V196 H197 E198 N199 P395 L396 M399V135-W166 HydrophobicContact CG1-CD2 4.46Å; V135-W166 HydrophobicContact CG1-CE3 4.33Å; W166-L184 HydrophobicContact CH2-CD1 3.29Å; W166-L184 HydrophobicContact CZ2-CD1 4.41Å; W166-L184 HydrophobicContact CZ3-CD1 3.36Å; W166-L184 HydrophobicContact CZ3-CD2 4.2Å; W166-L184 HydrophobicContact CZ3-CG 4.35Å; W166-V196 HydrophobicContact CB-CG1 4.09Å; W166-V196 HydrophobicContact CD2-CG1 4.37Å; W166-V196 HydrophobicContact CE3-CG1 3.75Å; W166-H197 PolarHBondContact N-O 3Å; W166-E198 HydrophobicContact CB-CB 4.39Å; W166-E198 HydrophobicContact CB-CG 4.05Å; W166-E198 HydrophobicContact CG-CG 4.36Å; W166-N199 WeakPolarHBondContact O-CB 3.13Å; W166-N199 PolarHBondContact O-N 3.31Å; W166-N199 PolarHBondContact O-ND2 2.77Å; W166-P395 HydrophobicContact CZ2-CB 4.28Å; W166-P395 WeakPolarHBondContact CZ2-O 3.39Å; W166-L396 HydrophobicContact CH2-CB 4.41Å; W166-L396 HydrophobicContact CH2-CD1 4.15Å; W166-M399 HydrophobicContact CH2-CE 4.41Å; W166-M399 HydrophobicContact CH2-SD 3.77Å; W166-M399 HydrophobicContact CZ2-CB 3.89Å; W166-M399 HydrophobicContact CZ2-CG 4.2Å; W166-M399 HydrophobicContact CZ2-SD 3.57Å; W166-M399 VanDerWaalsContact CZ2-SD 3.57Å
167P94.7Very high93Very high7 Ų736.7 Ų36.75%0.04522%0.218CC..PPolyproline II helixtrans-67165.4-178.631.2-40.1000111.8V135 A136V135-P167 HydrophobicContact CG1-CG 4.28Å; A136-P167 HydrophobicContact CB-CB 3.96Å; A136-P167 HydrophobicContact CB-CG 4.1Å
168Y94Very high93.2Very high32 Ų3231.2 Ų31.213%0.12518%0.18CC..PPolyproline II helixtrans-65.5138.5167.9-68.3-84.8000111.1T170 G171 E172 Q176 N199 D200 H203 F217 I220Y168-T170 PolarHBondContact O-N 3.11Å; Y168-G171 PolarHBondContact O-N 3.14Å; Y168-G171 VanDerWaalsContact O-N 3.09Å; Y168-E172 HydrophobicContact CD2-CG 3.85Å; Y168-E172 WeakPolarHBondContact CD2-OE1 3.22Å; Y168-E172 WeakPolarHBondContact CE2-OE1 3.06Å; Y168-Q176 PolarHBondContact O-NE2 3.25Å; Y168-N199 HydrophobicContact CD1-CB 3.96Å; Y168-N199 HydrophobicContact CD2-CB 3.89Å; Y168-N199 HydrophobicContact CE1-CB 3.8Å; Y168-N199 HydrophobicContact CE2-CB 3.74Å; Y168-N199 HydrophobicContact CG-CB 4.01Å; Y168-D200 WeakPolarHBondContact CA-OD2 3.48Å; Y168-D200 WeakPolarHBondContact CD1-OD1 3.45Å; Y168-H203 HydrophobicContact CE1-CB 4.04Å; Y168-F217 HydrophobicContact CE2-CE1 4.41Å; Y168-I220 WeakPolarHBondContact OH-CD1 3.3Å
169G87.1Confident93.4Very high37 Ų3730.6 Ų30.638%0.38118%0.176SC..THydrogen-bonded Turntrans-63.8-24.6179.100000113.8G171 D200 K402G169-G171 VanDerWaalsContact C-N 3.3Å; G169-D200 PolarHBondContact N-OD2 3.15Å; G169-K402 PolarHBondContact O-NZ 3.12Å
170T84.6Confident93.4Very high130 Ų13026.9 Ų26.980%0.79816%0.159SC*.THydrogen-bonded Turntrans-72.2-21175.349.80000113.6Y168Y168-T170 PolarHBondContact O-N 3.11Å
171G80.8Confident93.4Very high36 Ų3626.9 Ų26.937%0.37116%0.159SC..  trans95122.2-178.600000114.1Y168 G169 Q176Y168-G171 PolarHBondContact O-N 3.14Å; Y168-G171 VanDerWaalsContact O-N 3.09Å; G169-G171 VanDerWaalsContact C-N 3.3Å; G171-Q176 VanDerWaalsContact CA-OE1 3.29Å
172E83.9Confident93.4Very high101 Ų10126.6 Ų26.647%0.47216%0.158SC..SBendtrans-97.3-32.5169.7-63-178.9130.300111.6Y168Y168-E172 HydrophobicContact CD2-CG 3.85Å; Y168-E172 WeakPolarHBondContact CD2-OE1 3.22Å; Y168-E172 WeakPolarHBondContact CE2-OE1 3.06Å
173V87.8Confident93.4Very high43 Ų4326.6 Ų26.626%0.26116%0.158SC..SBendtrans-136.4142-179.5-174.80000109.3N95 V175 Q176N95-V173 HydrophobicContact CB-CG1 3.89Å; V173-V175 VanDerWaalsContact C-N 3.27Å; V173-V175 HydrophobicContact CG1-CG2 4.05Å; V173-V175 PolarHBondContact O-N 3.14Å; V173-Q176 HydrophobicContact CB-CB 4.44Å; V173-Q176 VanDerWaalsContact O-CB 3.27Å; V173-Q176 WeakPolarHBondContact O-CB 3.1Å; V173-Q176 VanDerWaalsContact O-CG 3.25Å; V173-Q176 WeakPolarHBondContact O-CG 3.44Å; V173-Q176 PolarHBondContact O-N 3.42Å; V173-Q176 VanDerWaalsContact O-N 3.15Å
174I89.7Confident93.4Very high112 Ų11226.8 Ų26.857%0.57416%0.159SC*.THydrogen-bonded Turntrans-57.5-39.7-176.6-60.1171.3000112.3M406 Y412I174-M406 WeakPolarHBondContact O-CE 3.33Å; I174-Y412 HydrophobicContact CG2-CD2 4.04Å; I174-Y412 HydrophobicContact CG2-CE1 4.35Å; I174-Y412 HydrophobicContact CG2-CE2 3.36Å
175V93.5Very high93.4Very high9 Ų927 Ų276%0.05516%0.161CC..THydrogen-bonded Turntrans-92.911.2-176.4-59.60000114N95 V173 N177 Y178 N179 Y412 Y416N95-V175 VanDerWaalsContact O-CG2 3.27Å; N95-V175 WeakPolarHBondContact O-CG2 3.47Å; V173-V175 VanDerWaalsContact C-N 3.27Å; V173-V175 HydrophobicContact CG1-CG2 4.05Å; V173-V175 PolarHBondContact O-N 3.14Å; V175-N177 VanDerWaalsContact C-N 3.27Å; V175-N177 PolarHBondContact O-N 3.28Å; V175-Y178 PolarHBondContact O-N 3.11Å; V175-N179 PolarHBondContact O-N 2.84Å; V175-Y412 HydrophobicContact CG1-CD1 4.43Å; V175-Y412 HydrophobicContact CG1-CD2 4.42Å; V175-Y412 HydrophobicContact CG1-CG 4Å; V175-Y416 HydrophobicContact CB-CE2 4.4Å; V175-Y416 WeakPolarHBondContact CB-OH 3.19Å; V175-Y416 HydrophobicContact CG1-CE2 4.47Å; V175-Y416 PolarHBondContact O-OH 3.04Å
176Q94.9Very high93.4Very high7 Ų728.8 Ų28.83%0.03317%0.169CC..Hα-helixtrans-57.9-35.7-171.77017429.300114.1A136 Y168 G171 V173 N179 S180A136-Q176 HydrophobicContact CB-CB 3.87Å; Y168-Q176 PolarHBondContact O-NE2 3.25Å; G171-Q176 VanDerWaalsContact CA-OE1 3.29Å; V173-Q176 HydrophobicContact CB-CB 4.44Å; V173-Q176 VanDerWaalsContact O-CB 3.27Å; V173-Q176 WeakPolarHBondContact O-CB 3.1Å; V173-Q176 VanDerWaalsContact O-CG 3.25Å; V173-Q176 WeakPolarHBondContact O-CG 3.44Å; V173-Q176 PolarHBondContact O-N 3.42Å; V173-Q176 VanDerWaalsContact O-N 3.15Å; Q176-N179 PolarHBondContact O-N 2.95Å; Q176-S180 WeakPolarHBondContact O-CB 3.38Å; Q176-S180 PolarHBondContact O-N 2.78Å; Q176-S180 PolarHBondContact O-OG 3.39Å
177N95.4Very high93.5Very high18 Ų1827.7 Ų27.710%0.09617%0.165CC..Hα-helixtrans-73-35.3-173.9-54.5-49.8000110.4V175 S180 V181 K402 A403 M406V175-N177 VanDerWaalsContact C-N 3.27Å; V175-N177 PolarHBondContact O-N 3.28Å; N177-S180 PolarHBondContact O-N 2.62Å; N177-V181 WeakPolarHBondContact O-CG2 3.28Å; N177-V181 PolarHBondContact O-N 3.25Å; N177-K402 HydrophobicContact CB-CB 4.36Å; N177-A403 HydrophobicContact CB-CB 3.78Å; N177-M406 HydrophobicContact CB-SD 4.37Å
178Y96.9Very high93.5Very high0 Ų028.3 Ų28.30%017%0.166CC..Hα-helixtrans-65.1-49.5171-72.4-29000112.3V175 S180 V181 L182 A403 M406 F407 A411 Y416 F426V175-Y178 PolarHBondContact O-N 3.11Å; Y178-S180 PolarHBondContact O-N 3.03Å; Y178-V181 PolarHBondContact O-N 2.91Å; Y178-L182 WeakPolarHBondContact O-CG 3.45Å; Y178-L182 PolarHBondContact O-N 2.6Å; Y178-A403 HydrophobicContact CD1-CB 4.15Å; Y178-A403 WeakPolarHBondContact CE1-O 3.36Å; Y178-M406 HydrophobicContact CD2-CE 4.1Å; Y178-M406 HydrophobicContact CE1-CB 3.92Å; Y178-M406 HydrophobicContact CE2-CB 4.33Å; Y178-M406 HydrophobicContact CE2-CE 3.95Å; Y178-M406 WeakPolarHBondContact OH-CB 3.38Å; Y178-M406 PolarHBondContact OH-O 2.93Å; Y178-M406 VanDerWaalsContact OH-O 3.11Å; Y178-F407 HydrophobicContact CE1-CB 4Å; Y178-F407 WeakPolarHBondContact OH-CA 3.42Å; Y178-F407 PolarHBondContact OH-N 3.49Å; Y178-A411 WeakPolarHBondContact CE2-O 3.24Å; Y178-A411 PolarHBondContact OH-O 2.82Å; Y178-Y416 WeakPolarHBondContact CB-OH 3.4Å; Y178-Y416 HydrophobicContact CD2-CD2 4.4Å; Y178-Y416 AromaticContact CD2-CE2 3.7Å; Y178-Y416 HydrophobicContact CD2-CE2 3.7Å; Y178-Y416 HydrophobicContact CE2-CE2 4.49Å; Y178-Y416 HydrophobicContact CG-CE2 4.42Å; Y178-F426 HydrophobicContact CD1-CD1 4.24Å; Y178-F426 AromaticContact CD1-CE1 3.63Å; Y178-F426 HydrophobicContact CD1-CE1 3.63Å; Y178-F426 HydrophobicContact CD1-CZ 4.39Å; Y178-F426 HydrophobicContact CD2-CE1 4.45Å; Y178-F426 HydrophobicContact CD2-CZ 4.46Å; Y178-F426 HydrophobicContact CE1-CE1 4.23Å; Y178-F426 AromaticContact CG-CE1 3.77Å; Y178-F426 HydrophobicContact CG-CE1 3.77Å; Y178-F426 HydrophobicContact CG-CZ 4.18Å
179N97Very high93.6Very high0 Ų033.6 Ų33.60%019%0.192CC..Hα-helixtrans-54-42175.6-70-18.9000110.3N95 W97 V135 A136 V175 Q176 T183 Y416N95-N179 PolarHBondContact O-ND2 2.89Å; W97-N179 HydrophobicContact CB-CB 4.12Å; W97-N179 WeakPolarHBondContact CB-OD1 3.38Å; W97-N179 PolarHBondContact N-OD1 2.91Å; V135-N179 CarbonylContact O-C 3.56Å; A136-N179 WeakPolarHBondContact O-CB 3.34Å; A136-N179 PolarHBondContact O-ND2 2.52Å; V175-N179 PolarHBondContact O-N 2.84Å; Q176-N179 PolarHBondContact O-N 2.95Å; N179-T183 VanDerWaalsContact O-CB 3.25Å; N179-T183 WeakPolarHBondContact O-CB 3.29Å; N179-T183 PolarHBondContact O-N 3.09Å; N179-T183 PolarHBondContact O-OG1 2.86Å; N179-Y416 PolarHBondContact OD1-OH 3.06Å
180S97Very high94.1Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-71.8-41.2-177-51.60000113.3V135 Q176 N177 Y178 T183 L184 M399V135-S180 WeakPolarHBondContact O-CA 3.08Å; Q176-S180 WeakPolarHBondContact O-CB 3.38Å; Q176-S180 PolarHBondContact O-N 2.78Å; Q176-S180 PolarHBondContact O-OG 3.39Å; N177-S180 PolarHBondContact O-N 2.62Å; Y178-S180 PolarHBondContact O-N 3.03Å; S180-T183 PolarHBondContact O-N 3.2Å; S180-L184 WeakPolarHBondContact O-CB 3.43Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 3.36Å; S180-M399 WeakPolarHBondContact CB-SD 3.45Å
181V97.7Very high94.7Very high0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-59.9-51.4174.11630000110.8N177 Y178 T183 L184 A185 M399 V400 A403 F430 L433N177-V181 WeakPolarHBondContact O-CG2 3.28Å; N177-V181 PolarHBondContact O-N 3.25Å; Y178-V181 PolarHBondContact O-N 2.91Å; V181-T183 VanDerWaalsContact C-N 3.32Å; V181-T183 PolarHBondContact O-N 3.49Å; V181-L184 PolarHBondContact O-N 3.34Å; V181-A185 WeakPolarHBondContact O-CB 3.4Å; V181-A185 PolarHBondContact O-N 2.99Å; V181-M399 HydrophobicContact CG2-CE 3.7Å; V181-V400 HydrophobicContact CG2-CG2 4.36Å; V181-A403 HydrophobicContact CB-CB 4.5Å; V181-A403 HydrophobicContact CG2-CB 3.57Å; V181-F430 HydrophobicContact CG1-CD1 4.1Å; V181-F430 HydrophobicContact CG1-CE1 4.1Å; V181-F430 HydrophobicContact CG2-CD1 4.5Å; V181-F430 HydrophobicContact CG2-CE1 4.07Å; V181-L433 HydrophobicContact CB-CD1 4.15Å; V181-L433 HydrophobicContact CG1-CD1 3.98Å; V181-L433 HydrophobicContact CG2-CD1 4.11Å
182L98.1Very high95.5Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-60.9-44.1-179.9-68168.2000111W97 Y178 H186 Y416 I421 F426W97-L182 HydrophobicContact CB-CD1 4.44Å; W97-L182 HydrophobicContact CD2-CB 3.68Å; W97-L182 HydrophobicContact CD2-CD1 4Å; W97-L182 HydrophobicContact CD2-CG 4.46Å; W97-L182 HydrophobicContact CE3-CB 3.88Å; W97-L182 HydrophobicContact CE3-CD1 3.58Å; W97-L182 HydrophobicContact CE3-CG 4.24Å; W97-L182 HydrophobicContact CG-CB 4.15Å; W97-L182 HydrophobicContact CG-CD1 4.37Å; W97-L182 HydrophobicContact CH2-CB 4.21Å; W97-L182 HydrophobicContact CZ2-CB 4.02Å; W97-L182 HydrophobicContact CZ3-CB 4.12Å; W97-L182 HydrophobicContact CZ3-CD1 4.13Å; W97-L182 HydrophobicContact CZ3-CD2 4.42Å; W97-L182 HydrophobicContact CZ3-CG 4.46Å; Y178-L182 WeakPolarHBondContact O-CG 3.45Å; Y178-L182 PolarHBondContact O-N 2.6Å; L182-H186 PolarHBondContact O-N 3.41Å; L182-H186 PolarHBondContact O-ND1 2.89Å; L182-Y416 HydrophobicContact CD1-CD1 3.79Å; L182-Y416 HydrophobicContact CD1-CE1 3.76Å; L182-I421 HydrophobicContact CD2-CG2 4.42Å; L182-F426 HydrophobicContact CD1-CE1 3.77Å; L182-F426 HydrophobicContact CD1-CZ 3.83Å; L182-F426 HydrophobicContact CD2-CD1 4.21Å; L182-F426 HydrophobicContact CD2-CE1 4.19Å; L182-F426 HydrophobicContact CG-CD1 4.42Å; L182-F426 HydrophobicContact CG-CE1 3.99Å
183T98.1Very high96.1Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-61.6-50.6178.6-59.50000112.2W97 V135 S141 N179 S180 V181 L187W97-T183 PolarHBondContact NE1-OG1 3.15Å; V135-T183 HydrophobicContact CG2-CG2 3.92Å; V135-T183 PolarHBondContact O-OG1 3.5Å; S141-T183 WeakPolarHBondContact CB-OG1 3.42Å; N179-T183 VanDerWaalsContact O-CB 3.25Å; N179-T183 WeakPolarHBondContact O-CB 3.29Å; N179-T183 PolarHBondContact O-N 3.09Å; N179-T183 PolarHBondContact O-OG1 2.86Å; S180-T183 PolarHBondContact O-N 3.2Å; V181-T183 VanDerWaalsContact C-N 3.32Å; V181-T183 PolarHBondContact O-N 3.49Å; T183-L187 HydrophobicContact CG2-CD1 3.59Å; T183-L187 HydrophobicContact CG2-CG 4.13Å; T183-L187 VanDerWaalsContact O-CB 3.3Å; T183-L187 WeakPolarHBondContact O-CB 3.19Å; T183-L187 VanDerWaalsContact O-CG 3.23Å; T183-L187 WeakPolarHBondContact O-CG 3.45Å; T183-L187 PolarHBondContact O-N 3.19Å
184L97.8Very high96.6Very high4 Ų420.4 Ų20.42%0.02110%0.101CC..Hα-helixtrans-67.4-41.7-177-71.9172.7000112.3V135 L164 W166 S180 V181 H186 L187 Y188 L396 M399 L433V135-L184 HydrophobicContact CG2-CD1 4.19Å; V135-L184 HydrophobicContact CG2-CD2 3.97Å; V135-L184 HydrophobicContact CG2-CG 3.69Å; L164-L184 HydrophobicContact CD1-CD2 3.42Å; L164-L184 VanDerWaalsContact CD1-CD2 3.42Å; W166-L184 HydrophobicContact CH2-CD1 3.29Å; W166-L184 HydrophobicContact CZ2-CD1 4.41Å; W166-L184 HydrophobicContact CZ3-CD1 3.36Å; W166-L184 HydrophobicContact CZ3-CD2 4.2Å; W166-L184 HydrophobicContact CZ3-CG 4.35Å; S180-L184 WeakPolarHBondContact O-CB 3.43Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 3.36Å; V181-L184 PolarHBondContact O-N 3.34Å; L184-H186 VanDerWaalsContact C-N 3.29Å; L184-H186 PolarHBondContact O-N 2.99Å; L184-L187 PolarHBondContact O-N 3.4Å; L184-Y188 WeakPolarHBondContact O-CB 3.16Å; L184-Y188 PolarHBondContact O-N 3.25Å; L184-L396 HydrophobicContact CD1-CD1 4.01Å; L184-M399 HydrophobicContact CD1-CE 3.82Å; L184-M399 HydrophobicContact CD1-SD 3.88Å; L184-L433 HydrophobicContact CB-CD1 4.18Å; L184-L433 HydrophobicContact CB-CD2 3.88Å
185A97.7Very high97Very high5 Ų515.3 Ų15.34%0.0418%0.075CC..Hα-helixtrans-56.8-45.3179.600000111.4V181 L433V181-A185 WeakPolarHBondContact O-CB 3.4Å; V181-A185 PolarHBondContact O-N 2.99Å; A185-L433 HydrophobicContact CB-CD2 4.45Å; A185-L433 HydrophobicContact CB-CG 4.26Å
186H98Very high97.2Very high41 Ų4115.1 Ų15.119%0.197%0.074CC..Hα-helixtrans-72.4-47.7177.7-69.376.5000112W97 Y101 T145 L182 L184 Y188 Q189 L190W97-H186 AromaticContact CH2-CE1 3.55Å; W97-H186 AromaticContact CH2-ND1 3.86Å; W97-H186 AromaticContact CH2-NE2 3.85Å; W97-H186 AromaticContact CZ2-ND1 3.83Å; Y101-H186 AromaticContact CZ-CD2 3.93Å; T145-H186 HydrophobicContact CG2-CB 3.34Å; L182-H186 PolarHBondContact O-N 3.41Å; L182-H186 PolarHBondContact O-ND1 2.89Å; L184-H186 VanDerWaalsContact C-N 3.29Å; L184-H186 PolarHBondContact O-N 2.99Å; H186-Y188 PolarHBondContact O-N 2.89Å; H186-Q189 PolarHBondContact O-N 3.43Å; H186-L190 HydrophobicContact CB-CD1 4.49Å; H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.28Å; H186-L190 PolarHBondContact O-N 3.4Å; H186-L190 VanDerWaalsContact O-N 3.14Å
187L97.9Very high97.4Very high0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-62.9-27.4-178.7-70.9-175.7000112.7M133 T145 T148 L164 T183 L184 Q189 L190 S191 I194M133-L187 HydrophobicContact CE-CD1 4.39Å; M133-L187 HydrophobicContact SD-CD1 3.97Å; T145-L187 HydrophobicContact CG2-CD2 4.31Å; T148-L187 HydrophobicContact CG2-CD2 3.78Å; L164-L187 HydrophobicContact CD1-CD1 3.97Å; L164-L187 HydrophobicContact CD2-CD1 3.72Å; L164-L187 HydrophobicContact CG-CD1 4.38Å; T183-L187 HydrophobicContact CG2-CD1 3.59Å; T183-L187 HydrophobicContact CG2-CG 4.13Å; T183-L187 VanDerWaalsContact O-CB 3.3Å; T183-L187 WeakPolarHBondContact O-CB 3.19Å; T183-L187 VanDerWaalsContact O-CG 3.23Å; T183-L187 WeakPolarHBondContact O-CG 3.45Å; T183-L187 PolarHBondContact O-N 3.19Å; L184-L187 PolarHBondContact O-N 3.4Å; L187-Q189 VanDerWaalsContact C-N 3.26Å; L187-Q189 PolarHBondContact O-N 2.86Å; L187-L190 PolarHBondContact O-N 3.34Å; L187-S191 WeakPolarHBondContact O-CB 3.34Å; L187-S191 PolarHBondContact O-N 2.96Å; L187-S191 PolarHBondContact O-OG 3.37Å; L187-I194 HydrophobicContact CB-CD1 4.06Å
188Y96.4Very high97.4Very high19 Ų1915.8 Ų15.88%0.0758%0.077CC..Hα-helixtrans-60.8-37.1174.7-146.1-97.3000112.5L184 H186 I194 E261 Y262 K263 L264 V436L184-Y188 WeakPolarHBondContact O-CB 3.16Å; L184-Y188 PolarHBondContact O-N 3.25Å; H186-Y188 PolarHBondContact O-N 2.89Å; Y188-I194 HydrophobicContact CD2-CD1 4.21Å; Y188-E261 PolarHBondContact OH-O 3.34Å; Y188-Y262 WeakPolarHBondContact OH-CA 3.37Å; Y188-K263 HydrophobicContact CD1-CD 4.44Å; Y188-K263 HydrophobicContact CE1-CD 4.33Å; Y188-K263 HydrophobicContact CE1-CG 4.42Å; Y188-K263 HydrophobicContact CE2-CB 3.99Å; Y188-K263 WeakPolarHBondContact O-CD 3.4Å; Y188-K263 PolarHBondContact O-NZ 3.27Å; Y188-K263 PolarHBondContact OH-N 3.46Å; Y188-L264 HydrophobicContact CE2-CD2 4.12Å; Y188-L264 HydrophobicContact CE2-CG 4.03Å; Y188-V436 HydrophobicContact CD1-CG2 3.9Å; Y188-V436 HydrophobicContact CD2-CG2 4.24Å; Y188-V436 HydrophobicContact CE1-CG2 3.62Å; Y188-V436 HydrophobicContact CE2-CG1 3.9Å; Y188-V436 HydrophobicContact CE2-CG2 4Å; Y188-V436 HydrophobicContact CG-CG2 4.2Å
189Q95.4Very high97.4Very high144 Ų14416.4 Ų16.467%0.6738%0.08SC*.Hα-helixtrans-78.9-36.5178.5-60179.15.700111.3H186 L187H186-Q189 PolarHBondContact O-N 3.43Å; L187-Q189 VanDerWaalsContact C-N 3.26Å; L187-Q189 PolarHBondContact O-N 2.86Å
190L97.1Very high97.2Very high24 Ų2418.9 Ų18.913%0.1269%0.093CC..Hα-helixtrans-85.1-28-172-60.8170.9000114.4T145 T148 Q149 R152 H186 L187T145-L190 HydrophobicContact CG2-CD1 4.26Å; T148-L190 HydrophobicContact CG2-CB 3.91Å; T148-L190 HydrophobicContact CG2-CD1 4.43Å; Q149-L190 HydrophobicContact CB-CD1 3.84Å; Q149-L190 HydrophobicContact CB-CD2 4.05Å; Q149-L190 HydrophobicContact CG-CD2 4.1Å; R152-L190 PolarHBondContact NE-O 2.9Å; R152-L190 PolarHBondContact NH2-O 3.35Å; H186-L190 HydrophobicContact CB-CD1 4.49Å; H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.28Å; H186-L190 PolarHBondContact O-N 3.4Å; H186-L190 VanDerWaalsContact O-N 3.14Å; L187-L190 PolarHBondContact O-N 3.34Å
191S97.1Very high97.1Very high1 Ų120.7 Ų20.71%0.00710%0.102CC..  trans-95.9152.1-172.8-43.30000112.4N162 L187 K263N162-S191 PolarHBondContact ND2-OG 3.22Å; L187-S191 WeakPolarHBondContact O-CB 3.34Å; L187-S191 PolarHBondContact O-N 2.96Å; L187-S191 PolarHBondContact O-OG 3.37Å; S191-K263 WeakPolarHBondContact O-CD 3.45Å; S191-K263 WeakPolarHBondContact O-CE 3.41Å; S191-K263 PolarHBondContact O-NZ 2.73Å
192D97.3Very high97Very high45 Ų4520.8 Ų20.824%0.24110%0.103CC..SBendtrans-80.7-38.9168.6-59.5-62.4000110.7R152 F159 V160 M253R152-D192 IonicContact CZ-OD1 3.05Å; R152-D192 IonicContact CZ-OD2 3.68Å; R152-D192 IonicContact NH1-OD1 2.74Å; R152-D192 IonicContact NH1-OD2 3.09Å; R152-D192 IonicContact NH2-OD1 3.34Å; R152-D192 PolarHBondContact NH2-OD1 3.3Å; R152-D192 IonicContact NH2-OD2 3.49Å; R152-D192 PolarHBondContact NH2-OD2 3.03Å; F159-D192 VanDerWaalsContact CA-OD2 3.31Å; F159-D192 WeakPolarHBondContact CA-OD2 3.41Å; V160-D192 PolarHBondContact N-OD2 2.73Å; V160-D192 PolarHBondContact O-N 3.39Å; D192-M253 HydrophobicContact CB-CG 4.16Å; D192-M253 HydrophobicContact CB-SD 3.97Å
193A97.6Very high96.8Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-149.916316500000112.2L161 N162 M253 A257 L265L161-A193 HydrophobicContact CD1-CB 4.19Å; N162-A193 PolarHBondContact N-O 3.25Å; A193-M253 HydrophobicContact CB-CE 3.78Å; A193-M253 HydrophobicContact CB-SD 3.3Å; A193-M253 WeakPolarHBondContact CB-SD 3.38Å; A193-A257 HydrophobicContact CB-CB 4.49Å; A193-L265 HydrophobicContact CB-CD1 3.61Å; A193-L265 HydrophobicContact CB-CG 4.04Å
194I98.2Very high96.6Very high0 Ų028.7 Ų28.70%014%0.138CC..EExtended strand (participates in β ladder)trans-126.5109.8-178.5-57.1177.3000108.5N162 L164 L187 Y188 V196 K263 L264 L265N162-I194 HydrophobicContact CB-CG1 4.33Å; N162-I194 CarbonylContact O-C 3.56Å; N162-I194 VanDerWaalsContact O-CA 3.32Å; N162-I194 WeakPolarHBondContact O-CA 3.44Å; L164-I194 HydrophobicContact CB-CG2 4.41Å; L164-I194 HydrophobicContact CD1-CG2 3.4Å; L164-I194 HydrophobicContact CG-CG2 3.72Å; L187-I194 HydrophobicContact CB-CD1 4.06Å; Y188-I194 HydrophobicContact CD2-CD1 4.21Å; I194-V196 HydrophobicContact CG2-CG2 3.97Å; I194-K263 PolarHBondContact N-O 2.77Å; I194-L264 HydrophobicContact CB-CD2 4.16Å; I194-L264 HydrophobicContact CD1-CD2 4.35Å; I194-L264 HydrophobicContact CG2-CD2 4.37Å; I194-L265 PolarHBondContact O-N 3.12Å
195L98.2Very high96.5Very high4 Ų428.6 Ų28.62%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-92.3119.3176-176.268.5000110.5L161 N162 H163 L164 L228 L265 V267 V386L161-L195 HydrophobicContact CD1-CB 4.07Å; N162-L195 PolarHBondContact O-N 3.24Å; H163-L195 WeakPolarHBondContact CA-O 3.4Å; L164-L195 PolarHBondContact N-O 3.49Å; L195-L228 HydrophobicContact CD2-CD2 3.5Å; L195-L228 VanDerWaalsContact CD2-CD2 3.5Å; L195-L265 WeakPolarHBondContact CA-O 3.06Å; L195-L265 HydrophobicContact CB-CB 4.49Å; L195-L265 HydrophobicContact CD1-CB 3.78Å; L195-V267 HydrophobicContact CD1-CB 4.2Å; L195-V267 HydrophobicContact CD1-CG1 4.42Å; L195-V386 HydrophobicContact CD1-CG1 4Å
196V98Very high96.4Very high6 Ų628.3 Ų28.34%0.03614%0.136CC..EExtended strand (participates in β ladder)trans-108.8133.2-171.3-175.80000111.7L164 W166 I194 L265 L392L164-V196 WeakPolarHBondContact O-CA 3.48Å; W166-V196 HydrophobicContact CB-CG1 4.09Å; W166-V196 HydrophobicContact CD2-CG1 4.37Å; W166-V196 HydrophobicContact CE3-CG1 3.75Å; I194-V196 HydrophobicContact CG2-CG2 3.97Å; V196-L265 PolarHBondContact N-O 2.81Å; V196-L392 HydrophobicContact CB-CD1 3.83Å; V196-L392 HydrophobicContact CB-CD2 4.03Å; V196-L392 HydrophobicContact CG1-CD2 3.97Å; V196-L392 HydrophobicContact CG2-CD1 3.82Å
197H97.7Very high96.2Very high5 Ų529.2 Ų29.22%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-117126.9165.5-72.187.8000110.5H163 L164 T165 W166 I224 Q227 V267H163-H197 AromaticContact CD2-CE1 3.88Å; H163-H197 AromaticContact CD2-ND1 3.33Å; H163-H197 PolarHBondContact CD2-ND1 3Å; H163-H197 VanDerWaalsContact CD2-ND1 3.33Å; H163-H197 AromaticContact NE2-CE1 3.63Å; H163-H197 AromaticContact NE2-CG 3.71Å; H163-H197 AromaticContact NE2-ND1 2.84Å; H163-H197 PolarHBondContact NE2-ND1 3.4Å; L164-H197 PolarHBondContact O-N 2.9Å; T165-H197 CarbonylContact C-O 3.59Å; T165-H197 WeakPolarHBondContact CA-O 3.21Å; W166-H197 PolarHBondContact N-O 3Å; H197-I224 HydrophobicContact CB-CD1 4.26Å; H197-I224 HydrophobicContact CB-CG1 4.15Å; H197-Q227 PolarHBondContact CD2-OE1 3.28Å; H197-Q227 WeakPolarHBondContact NE2-CB 2.98Å; H197-Q227 PolarHBondContact NE2-OE1 2.92Å; H197-V267 WeakPolarHBondContact NE2-CG1 3.27Å
198E96.6Very high96Very high34 Ų3434.4 Ų34.416%0.15917%0.171CC..EExtended strand (participates in β ladder)trans-91.9122.6-179.9-64.1171.9-95.100111.9W166 D200 I201 V202 P395W166-E198 HydrophobicContact CB-CB 4.39Å; W166-E198 HydrophobicContact CB-CG 4.05Å; W166-E198 HydrophobicContact CG-CG 4.36Å; E198-D200 VanDerWaalsContact C-N 3.3Å; E198-D200 PolarHBondContact O-N 2.71Å; E198-I201 HydrophobicContact CB-CB 4.03Å; E198-I201 HydrophobicContact CB-CG1 3.75Å; E198-I201 PolarHBondContact O-N 3.23Å; E198-I201 VanDerWaalsContact O-N 3.07Å; E198-V202 WeakPolarHBondContact O-CG2 3.49Å; E198-V202 PolarHBondContact O-N 2.86Å; E198-P395 WeakPolarHBondContact OE2-CG 3.13Å
199N95.6Very high95.7Very high12 Ų1235 Ų356%0.06418%0.175CC..Hα-helixtrans-56.1-42.4179.6-88.1-15.3000112.7T165 W166 Y168 I201 V202 H203T165-N199 WeakPolarHBondContact CG2-OD1 3.35Å; W166-N199 WeakPolarHBondContact O-CB 3.13Å; W166-N199 PolarHBondContact O-N 3.31Å; W166-N199 PolarHBondContact O-ND2 2.77Å; Y168-N199 HydrophobicContact CD1-CB 3.96Å; Y168-N199 HydrophobicContact CD2-CB 3.89Å; Y168-N199 HydrophobicContact CE1-CB 3.8Å; Y168-N199 HydrophobicContact CE2-CB 3.74Å; Y168-N199 HydrophobicContact CG-CB 4.01Å; N199-I201 VanDerWaalsContact C-N 3.3Å; N199-I201 PolarHBondContact O-N 3.42Å; N199-V202 PolarHBondContact O-N 3.47Å; N199-H203 WeakPolarHBondContact O-CB 3.09Å; N199-H203 PolarHBondContact O-N 3.17Å
200D94.3Very high95.5Very high53 Ų5329.8 Ų29.828%0.28315%0.151SC..Hα-helixtrans-58.9-40.9176.8-77.3-65.5000112.6Y168 G169 E198 K204Y168-D200 WeakPolarHBondContact CA-OD2 3.48Å; Y168-D200 WeakPolarHBondContact CD1-OD1 3.45Å; G169-D200 PolarHBondContact N-OD2 3.15Å; E198-D200 VanDerWaalsContact C-N 3.3Å; E198-D200 PolarHBondContact O-N 2.71Å; D200-K204 VanDerWaalsContact O-CG 3.26Å; D200-K204 WeakPolarHBondContact O-CG 3.35Å; D200-K204 PolarHBondContact O-N 2.97Å
201I93.9Very high95.3Very high37 Ų3736 Ų3619%0.1918%0.177CC..Hα-helixtrans-72.4-47.4-179-61.7-57.2000110.6E198 N199 H203 K204 I205 K301E198-I201 HydrophobicContact CB-CB 4.03Å; E198-I201 HydrophobicContact CB-CG1 3.75Å; E198-I201 PolarHBondContact O-N 3.23Å; E198-I201 VanDerWaalsContact O-N 3.07Å; N199-I201 VanDerWaalsContact C-N 3.3Å; N199-I201 PolarHBondContact O-N 3.42Å; I201-H203 VanDerWaalsContact C-N 3.29Å; I201-H203 PolarHBondContact O-N 3.2Å; I201-K204 WeakPolarHBondContact O-CB 3.29Å; I201-K204 PolarHBondContact O-N 2.98Å; I201-K204 VanDerWaalsContact O-N 3.16Å; I201-I205 HydrophobicContact CG2-CD1 4.19Å; I201-I205 WeakPolarHBondContact O-CG1 3.42Å; I201-I205 PolarHBondContact O-N 3.16Å; I201-K301 HydrophobicContact CG2-CB 3.42Å; I201-K301 VanDerWaalsContact CG2-CB 3.42Å; I201-K301 HydrophobicContact CG2-CG 4.04Å
202V95.4Very high95.1Very high2 Ų237.7 Ų37.71%0.01219%0.186CC..Hα-helixtrans-63.8-38.6178.4-179.50000110.7E198 N199 K204 I205 C206 I220 V223 I224E198-V202 WeakPolarHBondContact O-CG2 3.49Å; E198-V202 PolarHBondContact O-N 2.86Å; N199-V202 PolarHBondContact O-N 3.47Å; V202-K204 PolarHBondContact O-N 3.5Å; V202-I205 WeakPolarHBondContact O-CB 3.42Å; V202-I205 PolarHBondContact O-N 2.63Å; V202-C206 PolarHBondContact O-N 2.95Å; V202-C206 PolarHBondContact O-SG 3.05Å; V202-I220 HydrophobicContact CB-CG2 4.23Å; V202-I220 HydrophobicContact CG1-CB 4.25Å; V202-I220 HydrophobicContact CG1-CG2 3.69Å; V202-V223 HydrophobicContact CG1-CB 3.72Å; V202-V223 HydrophobicContact CG1-CG1 3.8Å; V202-V223 HydrophobicContact CG1-CG2 4.48Å; V202-I224 HydrophobicContact CG1-CG1 4.2Å; V202-I224 HydrophobicContact CG2-CG1 4Å
203H95.1Very high94.7Very high69 Ų6945.1 Ų45.132%0.31922%0.216SC..Hα-helixtrans-62.2-41.9174.2-171.8-74.1000111.8Y168 N199 I201 C206 S207 I215Y168-H203 HydrophobicContact CE1-CB 4.04Å; N199-H203 WeakPolarHBondContact O-CB 3.09Å; N199-H203 PolarHBondContact O-N 3.17Å; I201-H203 VanDerWaalsContact C-N 3.29Å; I201-H203 PolarHBondContact O-N 3.2Å; H203-C206 PolarHBondContact O-N 2.64Å; H203-S207 PolarHBondContact O-N 3.23Å; H203-I215 VanDerWaalsContact CE1-CD1 3.47Å; H203-I215 WeakPolarHBondContact CE1-CD1 3.45Å
204K94.3Very high94.5Very high97 Ų9753.2 Ų53.242%0.42225%0.254SS..Hα-helixtrans-62.1-40.5173.3-74.8169.6-174.61750112.1D200 I201 V202 C206 S207 Q208 M302D200-K204 VanDerWaalsContact O-CG 3.26Å; D200-K204 WeakPolarHBondContact O-CG 3.35Å; D200-K204 PolarHBondContact O-N 2.97Å; I201-K204 WeakPolarHBondContact O-CB 3.29Å; I201-K204 PolarHBondContact O-N 2.98Å; I201-K204 VanDerWaalsContact O-N 3.16Å; V202-K204 PolarHBondContact O-N 3.5Å; K204-C206 PolarHBondContact O-N 3.46Å; K204-S207 PolarHBondContact O-N 3.34Å; K204-Q208 WeakPolarHBondContact O-CB 3.36Å; K204-Q208 WeakPolarHBondContact O-CG 3.39Å; K204-Q208 PolarHBondContact O-N 3.21Å; K204-M302 HydrophobicContact CB-SD 4.02Å
205I94.5Very high94.4Very high2 Ų255.2 Ų55.21%0.0126%0.264CS..Iπ-helixtrans-58.3-48.7174-71.2163.6000110.6I201 V202 S207 L209 L210 V223 Q272 M302I201-I205 HydrophobicContact CG2-CD1 4.19Å; I201-I205 WeakPolarHBondContact O-CG1 3.42Å; I201-I205 PolarHBondContact O-N 3.16Å; V202-I205 WeakPolarHBondContact O-CB 3.42Å; V202-I205 PolarHBondContact O-N 2.63Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.84Å; I205-L209 HydrophobicContact CG1-CD1 4.36Å; I205-L209 HydrophobicContact CG2-CD1 4.42Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 PolarHBondContact O-N 2.86Å; I205-L210 HydrophobicContact CG2-CG 4.41Å; I205-L210 PolarHBondContact O-N 3.07Å; I205-V223 HydrophobicContact CG2-CG1 4.08Å; I205-V223 HydrophobicContact CG2-CG2 4.45Å; I205-Q272 VanDerWaalsContact CD1-OE1 3.31Å; I205-M302 HydrophobicContact CG1-CB 4.23Å
206C95.1Very high94.2Very high0 Ų057.4 Ų57.40%028%0.28CS..Iπ-helixtrans-58.4-44.4177.5-71.50000112.3V202 H203 K204 K211 I212 I215V202-C206 PolarHBondContact O-N 2.95Å; V202-C206 PolarHBondContact O-SG 3.05Å; H203-C206 PolarHBondContact O-N 2.64Å; K204-C206 PolarHBondContact O-N 3.46Å; C206-K211 PolarHBondContact O-N 3.17Å; C206-I212 HydrophobicContact CB-CD1 4.28Å; C206-I212 PolarHBondContact O-N 2.5Å; C206-I215 HydrophobicContact CB-CD1 3.95Å; C206-I215 HydrophobicContact CB-CG1 4.07Å; C206-I215 HydrophobicContact CB-CG2 4Å
207S94.7Very high94Very high59 Ų5962.2 Ų62.241%0.41330%0.301SS..Iπ-helixtrans-71.1-51.7-178.1-171.70000112.7H203 K204 I205 K211H203-S207 PolarHBondContact O-N 3.23Å; K204-S207 PolarHBondContact O-N 3.34Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.84Å; S207-K211 WeakPolarHBondContact O-CA 3.21Å
208Q92.8Very high93.9Very high110 Ų11064.6 Ų64.651%0.51432%0.318SS..Iπ-helixtrans-91.7-42.3-165.9-60.7-175.4-2.500112.6K204 M302K204-Q208 WeakPolarHBondContact O-CB 3.36Å; K204-Q208 WeakPolarHBondContact O-CG 3.39Å; K204-Q208 PolarHBondContact O-N 3.21Å; Q208-M302 HydrophobicContact CB-CE 4.2Å
209L91.4Very high93.8Very high30 Ų3064.5 Ų64.516%0.15732%0.319CS..Iπ-helixtrans-91.6-44.6-175.7-58.2-171000112.2I205 K211 Q272 M302I205-L209 HydrophobicContact CG1-CD1 4.36Å; I205-L209 HydrophobicContact CG2-CD1 4.42Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 PolarHBondContact O-N 2.86Å; L209-K211 VanDerWaalsContact C-N 3.35Å; L209-Q272 HydrophobicContact CB-CB 4.49Å; L209-Q272 HydrophobicContact CD1-CB 3.78Å; L209-M302 HydrophobicContact CD1-CB 3.94Å; L209-M302 HydrophobicContact CD2-CE 4.33Å
210L91.7Very high93.9Very high35 Ų3564 Ų6418%0.18332%0.316CS..SBendtrans-84.8-10.9178.8-54-175.6000113.2I205 I212 V223 M273I205-L210 HydrophobicContact CG2-CG 4.41Å; I205-L210 PolarHBondContact O-N 3.07Å; L210-I212 HydrophobicContact CB-CD1 3.94Å; L210-I212 HydrophobicContact CB-CG1 3.88Å; L210-I212 HydrophobicContact CD1-CD1 4.12Å; L210-I212 PolarHBondContact O-N 3.06Å; L210-V223 HydrophobicContact CD1-CG2 3.6Å; L210-M273 VanDerWaalsContact CD2-C 3.49Å; L210-M273 VanDerWaalsContact CD2-O 3.31Å; L210-M273 WeakPolarHBondContact CD2-O 3.31Å
211K91.9Very high94.1Very high154 Ų15461.9 Ų61.967%0.6731%0.305SS*.  trans55.636.3178.1-57.8-177.8179.4178.30113.3C206 S207 L209C206-K211 PolarHBondContact O-N 3.17Å; S207-K211 WeakPolarHBondContact O-CA 3.21Å; L209-K211 VanDerWaalsContact C-N 3.35Å
212I92.9Very high94.2Very high38 Ų3865.6 Ų65.620%0.19532%0.316CS..  trans-79.9120.2178.2-57.9174.1000108.6C206 L210 Q214 I215 D219C206-I212 HydrophobicContact CB-CD1 4.28Å; C206-I212 PolarHBondContact O-N 2.5Å; L210-I212 HydrophobicContact CB-CD1 3.94Å; L210-I212 HydrophobicContact CB-CG1 3.88Å; L210-I212 HydrophobicContact CD1-CD1 4.12Å; L210-I212 PolarHBondContact O-N 3.06Å; I212-Q214 WeakPolarHBondContact CG2-O 3.05Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 4.09Å; I212-D219 HydrophobicContact CD1-CB 3.93Å
213K90Very high94.2Very high201 Ų20166.1 Ų66.187%0.87432%0.319SS*.SBendtrans-72.8-42.3-177.1-68.1-175.6177.9-1780113.3
214Q92.9Very high94.4Very high170 Ų17062.8 Ų62.879%0.79430%0.304SS*.SBendtrans-120.499.5-179.1-68.2-63.2-23.600107.8I212I212-Q214 WeakPolarHBondContact CG2-O 3.05Å
215I94.8Very high94.6Very high41 Ų4158.2 Ų58.221%0.2128%0.284CS..  trans-84.6121.1-172-61165.8000108.5H203 C206 I212 I220H203-I215 VanDerWaalsContact CE1-CD1 3.47Å; H203-I215 WeakPolarHBondContact CE1-CD1 3.45Å; C206-I215 HydrophobicContact CB-CD1 3.95Å; C206-I215 HydrophobicContact CB-CG1 4.07Å; C206-I215 HydrophobicContact CB-CG2 4Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 4.09Å; I215-I220 HydrophobicContact CG2-CD1 4.06Å; I215-I220 HydrophobicContact CG2-CG1 3.9Å
216S95.3Very high94.7Very high51 Ų5160 Ų6036%0.35729%0.292SS..  trans-101163.5172.373.70000111.3S218 D219 I220S216-S218 PolarHBondContact O-N 3.15Å; S216-S218 WeakPolarHBondContact OG-CB 3.5Å; S216-S218 PolarHBondContact OG-N 3.15Å; S216-D219 WeakPolarHBondContact CB-OD2 3.12Å; S216-D219 PolarHBondContact N-OD2 3.33Å; S216-D219 WeakPolarHBondContact O-CB 3.43Å; S216-D219 PolarHBondContact O-N 3.45Å; S216-D219 PolarHBondContact OG-N 3.17Å; S216-D219 PolarHBondContact OG-OD2 2.98Å; S216-I220 PolarHBondContact O-N 3.41Å
217F93.6Very high94.8Very high106 Ų10660.3 Ų60.347%0.46529%0.294SS..Hα-helixtrans-59.9-28.3169.6-73.9-65.4000112.6Y168 D219 I220 N221Y168-F217 HydrophobicContact CE2-CE1 4.41Å; F217-D219 VanDerWaalsContact C-N 3.3Å; F217-D219 PolarHBondContact O-N 3.46Å; F217-I220 HydrophobicContact CD1-CD1 4.21Å; F217-I220 PolarHBondContact O-N 2.75Å; F217-N221 VanDerWaalsContact O-CB 3.27Å; F217-N221 WeakPolarHBondContact O-CB 3.32Å; F217-N221 PolarHBondContact O-N 2.9Å; F217-N221 PolarHBondContact O-ND2 3.39Å; F217-N221 VanDerWaalsContact O-ND2 3.14Å; F217-N221 PolarHBondContact O-OD1 2.91Å
218S94.8Very high94.9Very high56 Ų5657.7 Ų57.739%0.39228%0.275SS..Hα-helixtrans-63.4-37.5174.4-165.10000111.6E18 S216 R222E18-S218 PolarHBondContact OE1-OG 3.46Å; S216-S218 PolarHBondContact O-N 3.15Å; S216-S218 WeakPolarHBondContact OG-CB 3.5Å; S216-S218 PolarHBondContact OG-N 3.15Å; S218-R222 WeakPolarHBondContact O-CB 3.47Å; S218-R222 PolarHBondContact O-N 2.87Å
219D96Very high95.1Very high31 Ų3152.4 Ų52.417%0.16625%0.25CS..Hα-helixtrans-68.2-44.5178-59.8-62.4000111.3I212 S216 F217 R222 V223I212-D219 HydrophobicContact CD1-CB 3.93Å; S216-D219 WeakPolarHBondContact CB-OD2 3.12Å; S216-D219 PolarHBondContact N-OD2 3.33Å; S216-D219 WeakPolarHBondContact O-CB 3.43Å; S216-D219 PolarHBondContact O-N 3.45Å; S216-D219 PolarHBondContact OG-N 3.17Å; S216-D219 PolarHBondContact OG-OD2 2.98Å; F217-D219 VanDerWaalsContact C-N 3.3Å; F217-D219 PolarHBondContact O-N 3.46Å; D219-R222 PolarHBondContact O-N 2.84Å; D219-V223 PolarHBondContact O-N 2.97Å
220I96.6Very high95.3Very high3 Ų351 Ų512%0.01524%0.243CC..Hα-helixtrans-60.5-51.6176.2-65.9167.3000110.3Y168 V202 I215 S216 F217 R222 V223 I224Y168-I220 WeakPolarHBondContact OH-CD1 3.3Å; V202-I220 HydrophobicContact CB-CG2 4.23Å; V202-I220 HydrophobicContact CG1-CB 4.25Å; V202-I220 HydrophobicContact CG1-CG2 3.69Å; I215-I220 HydrophobicContact CG2-CD1 4.06Å; I215-I220 HydrophobicContact CG2-CG1 3.9Å; S216-I220 PolarHBondContact O-N 3.41Å; F217-I220 HydrophobicContact CD1-CD1 4.21Å; F217-I220 PolarHBondContact O-N 2.75Å; I220-R222 PolarHBondContact O-N 2.74Å; I220-V223 PolarHBondContact O-N 2.83Å; I220-I224 HydrophobicContact CG2-CD1 4.1Å; I220-I224 PolarHBondContact O-N 2.79Å; I220-I224 VanDerWaalsContact O-N 3.09Å
221N97.6Very high95.5Very high7 Ų749.4 Ų49.44%0.03724%0.235CC..Hα-helixtrans-60.7-35.4-179.5-66.6-18.1000111.5Q14 V15 E18 F217 I224 A225Q14-N221 VanDerWaalsContact CB-ND2 3.34Å; Q14-N221 WeakPolarHBondContact CB-ND2 3.47Å; Q14-N221 PolarHBondContact OE1-ND2 2.83Å; V15-N221 HydrophobicContact CG2-CB 4.3Å; V15-N221 WeakPolarHBondContact CG2-OD1 3.49Å; E18-N221 HydrophobicContact CB-CB 4.46Å; E18-N221 HydrophobicContact CG-CB 3.92Å; F217-N221 VanDerWaalsContact O-CB 3.27Å; F217-N221 WeakPolarHBondContact O-CB 3.32Å; F217-N221 PolarHBondContact O-N 2.9Å; F217-N221 PolarHBondContact O-ND2 3.39Å; F217-N221 VanDerWaalsContact O-ND2 3.14Å; F217-N221 PolarHBondContact O-OD1 2.91Å; N221-I224 PolarHBondContact O-N 3.4Å; N221-A225 WeakPolarHBondContact O-CB 3.41Å; N221-A225 PolarHBondContact O-N 3.39Å
222R96.6Very high95.7Very high116 Ų11642.4 Ų42.444%0.43820%0.204SC..Hα-helixtrans-65.9-37.9175.7-169.4169.372.8-179.50.1112.4S218 D219 I220 A225 H226S218-R222 WeakPolarHBondContact O-CB 3.47Å; S218-R222 PolarHBondContact O-N 2.87Å; D219-R222 PolarHBondContact O-N 2.84Å; I220-R222 PolarHBondContact O-N 2.74Å; R222-A225 PolarHBondContact O-N 2.85Å; R222-H226 PolarHBondContact O-CD2 2.88Å; R222-H226 PolarHBondContact O-N 3.44Å
223V96.8Very high95.8Very high12 Ų1240.6 Ų40.67%0.07320%0.195CC..Hα-helixtrans-64.9-47.5174.6174.80000110.9V202 I205 L210 D219 I220 A225 H226 Q227V202-V223 HydrophobicContact CG1-CB 3.72Å; V202-V223 HydrophobicContact CG1-CG1 3.8Å; V202-V223 HydrophobicContact CG1-CG2 4.48Å; I205-V223 HydrophobicContact CG2-CG1 4.08Å; I205-V223 HydrophobicContact CG2-CG2 4.45Å; L210-V223 HydrophobicContact CD1-CG2 3.6Å; D219-V223 PolarHBondContact O-N 2.97Å; I220-V223 PolarHBondContact O-N 2.83Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 3.44Å; V223-H226 PolarHBondContact O-N 3.46Å; V223-Q227 PolarHBondContact O-N 2.78Å
224I98Very high96Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-58-47.2176-64.1172.1000110.2V15 T165 H197 V202 I220 N221 H226 Q227 L228V15-I224 HydrophobicContact CG1-CB 4.47Å; V15-I224 HydrophobicContact CG1-CG2 3.7Å; V15-I224 HydrophobicContact CG2-CD1 4.43Å; T165-I224 HydrophobicContact CG2-CD1 4.41Å; H197-I224 HydrophobicContact CB-CD1 4.26Å; H197-I224 HydrophobicContact CB-CG1 4.15Å; V202-I224 HydrophobicContact CG1-CG1 4.2Å; V202-I224 HydrophobicContact CG2-CG1 4Å; I220-I224 HydrophobicContact CG2-CD1 4.1Å; I220-I224 PolarHBondContact O-N 2.79Å; I220-I224 VanDerWaalsContact O-N 3.09Å; N221-I224 PolarHBondContact O-N 3.4Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.35Å; I224-Q227 PolarHBondContact O-N 2.94Å; I224-L228 HydrophobicContact CG2-CD1 3.82Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 3.22Å
225A98Very high96Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-58.6-39.9177.700000112.9E18 L19 V22 N221 R222 V223 G229E18-A225 HydrophobicContact CB-CB 3.74Å; L19-A225 HydrophobicContact CB-CB 4.21Å; V22-A225 HydrophobicContact CG2-CB 3.93Å; N221-A225 WeakPolarHBondContact O-CB 3.41Å; N221-A225 PolarHBondContact O-N 3.39Å; R222-A225 PolarHBondContact O-N 2.85Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 3.44Å; A225-G229 PolarHBondContact O-N 2.85Å
226H97Very high95.9Very high40 Ų4022.3 Ų22.319%0.18511%0.113CC..Hα-helixtrans-68.5-41.9174.9-75.3-55.2000112.7R222 V223 I224 G229 G230 F376 N377R222-H226 PolarHBondContact O-CD2 2.88Å; R222-H226 PolarHBondContact O-N 3.44Å; V223-H226 PolarHBondContact O-N 3.46Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.35Å; H226-G229 PolarHBondContact O-N 3.11Å; H226-G230 PolarHBondContact O-N 3.5Å; H226-F376 WeakPolarHBondContact O-CE1 3.43Å; H226-F376 WeakPolarHBondContact O-CZ 3.25Å; H226-N377 VanDerWaalsContact CE1-CG 3.46Å; H226-N377 PolarHBondContact CE1-OD1 3.26Å; H226-N377 VanDerWaalsContact ND1-CG 3.33Å; H226-N377 PolarHBondContact ND1-OD1 2.9Å; H226-N377 PolarHBondContact NE2-OD1 3.33Å
227Q97.3Very high95.7Very high7 Ų720.3 Ų20.33%0.03310%0.099CC..Hα-helixtrans-63.5-47.1176.7-71.8175.6-41.900110.9H197 V223 I224 G229 G230 V231 V267 Q272H197-Q227 PolarHBondContact CD2-OE1 3.28Å; H197-Q227 WeakPolarHBondContact NE2-CB 2.98Å; H197-Q227 PolarHBondContact NE2-OE1 2.92Å; V223-Q227 PolarHBondContact O-N 2.78Å; I224-Q227 PolarHBondContact O-N 2.94Å; Q227-G229 PolarHBondContact O-N 2.83Å; Q227-G230 PolarHBondContact O-N 3.19Å; Q227-V231 PolarHBondContact O-N 3.31Å; Q227-V267 HydrophobicContact CB-CG1 4.4Å; Q227-V267 HydrophobicContact CB-CG2 4.47Å; Q227-Q272 VanDerWaalsContact NE2-NE2 3.12Å
228L97.6Very high95.2Very high3 Ų320.5 Ų20.52%0.01611%0.11CC..Hα-helixtrans-59.6-45.2173.5-74.2176.8000112.3V15 L19 L195 I224 G230 V231 L232V15-L228 HydrophobicContact CG1-CD1 4.19Å; L19-L228 HydrophobicContact CD1-CB 3.68Å; L19-L228 HydrophobicContact CD2-CB 4.41Å; L19-L228 HydrophobicContact CD2-CD1 4.06Å; L195-L228 HydrophobicContact CD2-CD2 3.5Å; L195-L228 VanDerWaalsContact CD2-CD2 3.5Å; I224-L228 HydrophobicContact CG2-CD1 3.82Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 3.22Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 3.39Å; L228-V231 PolarHBondContact O-N 2.97Å; L228-V231 VanDerWaalsContact O-N 3.14Å; L228-L232 HydrophobicContact CB-CD1 4.45Å; L228-L232 VanDerWaalsContact O-CB 3.29Å; L228-L232 WeakPolarHBondContact O-CB 3.43Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.99Å
229G96.3Very high94.5Very high0 Ų021.6 Ų21.60%012%0.123CC..Hα-helixtrans-59.6-38.4175.900000112.4A225 H226 Q227 V231 L232 Q233A225-G229 PolarHBondContact O-N 2.85Å; H226-G229 PolarHBondContact O-N 3.11Å; Q227-G229 PolarHBondContact O-N 2.83Å; G229-V231 VanDerWaalsContact C-N 3.28Å; G229-V231 PolarHBondContact O-N 3.29Å; G229-L232 PolarHBondContact O-N 2.67Å; G229-Q233 WeakPolarHBondContact O-CB 3.5Å; G229-Q233 WeakPolarHBondContact O-CG 3.37Å; G229-Q233 PolarHBondContact O-N 2.46Å
230G95.7Very high93.5Very high0 Ų021.1 Ų21.10%012%0.122CC..Hα-helixtrans-59.9-36.9175.300000113.3H226 Q227 L228H226-G230 PolarHBondContact O-N 3.5Å; Q227-G230 PolarHBondContact O-N 3.19Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 3.39Å
231V96.3Very high92.6Very high2 Ų227 Ų271%0.01216%0.162CC..Hα-helixtrans-77.3-42.1176.6-179.50000112.3Q227 L228 G229 L252 V267 I337 T384 V386Q227-V231 PolarHBondContact O-N 3.31Å; L228-V231 PolarHBondContact O-N 2.97Å; L228-V231 VanDerWaalsContact O-N 3.14Å; G229-V231 VanDerWaalsContact C-N 3.28Å; G229-V231 PolarHBondContact O-N 3.29Å; V231-L252 HydrophobicContact CG1-CD1 3.44Å; V231-L252 VanDerWaalsContact CG1-CD1 3.44Å; V231-V267 HydrophobicContact CG2-CG2 4.1Å; V231-I337 HydrophobicContact CB-CD1 4.45Å; V231-I337 HydrophobicContact CG1-CD1 4.4Å; V231-T384 HydrophobicContact CG2-CG2 3.69Å; V231-V386 HydrophobicContact CB-CG2 4.49Å; V231-V386 HydrophobicContact CG1-CG2 4.13Å; V231-V386 HydrophobicContact CG2-CG2 3.53Å
232L95.5Very high91.7Very high6 Ų630 Ų303%0.03119%0.194CC..Hα-helixtrans-94.3-17.7-164.9-68.5178.3000115L19 R42 F43 I130 L228 G229L19-L232 HydrophobicContact CD2-CD1 4.38Å; R42-L232 PolarHBondContact NH1-O 3.21Å; F43-L232 HydrophobicContact CE2-CB 4.37Å; F43-L232 HydrophobicContact CZ-CB 3.9Å; F43-L232 HydrophobicContact CZ-CD1 4.46Å; I130-L232 HydrophobicContact CD1-CD1 3.79Å; I130-L232 HydrophobicContact CD1-CD2 3.64Å; I130-L232 HydrophobicContact CD1-CG 4.38Å; L228-L232 HydrophobicContact CB-CD1 4.45Å; L228-L232 VanDerWaalsContact O-CB 3.29Å; L228-L232 WeakPolarHBondContact O-CB 3.43Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.99Å; G229-L232 PolarHBondContact O-N 2.67Å
233Q94.8Very high91.3Very high0 Ų027.2 Ų27.20%020%0.196CC..SBendtrans-74.5156.4179-80.4-64.7-37.700112.3M23 D26 Y35 S39 G229 T235 R339 F376M23-Q233 VanDerWaalsContact CB-NE2 3.28Å; M23-Q233 VanDerWaalsContact CG-NE2 3.26Å; D26-Q233 WeakPolarHBondContact OD2-CG 3.42Å; D26-Q233 PolarHBondContact OD2-OE1 3.13Å; D26-Q233 VanDerWaalsContact OD2-OE1 3.13Å; Y35-Q233 WeakPolarHBondContact OH-CB 3.43Å; Y35-Q233 PolarHBondContact OH-OE1 3.43Å; S39-Q233 VanDerWaalsContact OG-CD 3.29Å; S39-Q233 PolarHBondContact OG-NE2 3.07Å; S39-Q233 VanDerWaalsContact OG-NE2 3.11Å; S39-Q233 PolarHBondContact OG-OE1 3.04Å; G229-Q233 WeakPolarHBondContact O-CB 3.5Å; G229-Q233 WeakPolarHBondContact O-CG 3.37Å; G229-Q233 PolarHBondContact O-N 2.46Å; Q233-T235 PolarHBondContact O-N 3.37Å; Q233-R339 VanDerWaalsContact CB-NH1 3.26Å; Q233-R339 PolarHBondContact O-NH1 3.04Å; Q233-F376 HydrophobicContact CG-CE2 4.11Å
234P94.6Very high91Very high0 Ų028.3 Ų28.30%020%0.199CC..  trans-55.4135.4-173.8-24.731.8000114.8Y35 V38 Y244 S372Y35-P234 HydrophobicContact CD2-CB 3.84Å; Y35-P234 HydrophobicContact CD2-CG 4.16Å; Y35-P234 HydrophobicContact CE2-CB 3.65Å; Y35-P234 HydrophobicContact CE2-CG 3.86Å; Y35-P234 WeakPolarHBondContact CE2-O 3.36Å; V38-P234 HydrophobicContact CB-CB 4.38Å; V38-P234 HydrophobicContact CB-CG 4.09Å; V38-P234 HydrophobicContact CG1-CB 4.02Å; V38-P234 HydrophobicContact CG1-CG 3.88Å; P234-Y244 HydrophobicContact CB-CD1 3.87Å; P234-Y244 HydrophobicContact CB-CG 3.97Å; P234-S372 PolarHBondContact O-OG 2.98Å
235T93.6Very high90.5Very high0 Ų028.4 Ų28.40%020%0.2CC..  trans-137.1153.9179.749.20000109.6Q233 Y244 S245 I337 W370Q233-T235 PolarHBondContact O-N 3.37Å; T235-Y244 WeakPolarHBondContact O-CA 3.4Å; T235-S245 PolarHBondContact O-N 3.43Å; T235-I337 HydrophobicContact CG2-CG2 3.64Å; T235-W370 HydrophobicContact CG2-CB 4.44Å
236L93Very high89.7Confident28 Ų2835.3 Ų35.315%0.14723%0.226CC..BIsolated β-bridgetrans-87.5124.5166.9-54.4172.4000107.2A243 Y244 Y344 W370 K371L236-A243 VanDerWaalsContact CD2-C 3.41Å; L236-A243 WeakPolarHBondContact CD2-O 3.38Å; L236-Y244 HydrophobicContact CD2-CD1 3.82Å; L236-Y244 HydrophobicContact CD2-CE1 4.07Å; L236-Y244 HydrophobicContact CD2-CG 4.23Å; L236-Y244 HydrophobicContact CG-CD1 4.17Å; L236-Y244 HydrophobicContact CG-CE1 4.15Å; L236-Y344 WeakPolarHBondContact CD1-OH 3.5Å; L236-W370 WeakPolarHBondContact O-CA 3.11Å; L236-K371 WeakPolarHBondContact CA-O 3.44Å; L236-K371 VanDerWaalsContact CB-O 3.27Å; L236-K371 WeakPolarHBondContact CB-O 3.5Å; L236-K371 PolarHBondContact N-O 3.49Å; L236-K371 PolarHBondContact O-N 2.84Å
237T90.6Very high89.1Confident10 Ų1037.4 Ų37.46%0.06124%0.236CC..  trans-109.7160176.870.10000109.6A239 S240 E251 W370T237-A239 PolarHBondContact O-N 3.14Å; T237-S240 PolarHBondContact N-OG 2.98Å; T237-S240 WeakPolarHBondContact O-CB 3.45Å; T237-S240 PolarHBondContact O-N 3.36Å; T237-S240 PolarHBondContact O-OG 3.39Å; T237-S240 WeakPolarHBondContact OG1-CB 3.33Å; T237-S240 PolarHBondContact OG1-N 2.84Å; T237-E251 WeakPolarHBondContact CB-OE2 3.18Å; T237-E251 WeakPolarHBondContact CG2-OE2 3.33Å; T237-E251 PolarHBondContact OG1-OE2 2.84Å; T237-W370 HydrophobicContact CG2-CB 4.49Å; T237-W370 HydrophobicContact CG2-CD2 3.62Å; T237-W370 HydrophobicContact CG2-CE3 4.33Å; T237-W370 HydrophobicContact CG2-CG 3.67Å; T237-W370 HydrophobicContact CG2-CZ2 4.19Å
238P82.9Confident88.3Confident110 Ų11037.3 Ų37.371%0.71424%0.236SC*.G310 helixtrans-55.2-34.9179-26.835.8000113S240 L369P238-S240 VanDerWaalsContact C-N 3.32Å; P238-S240 PolarHBondContact O-N 3.33Å; P238-L369 WeakPolarHBondContact CD-O 3.37Å
239A78.9Confident88Confident78 Ų7837.2 Ų37.265%0.64524%0.235SC*.G310 helixtrans-72.3-23.3177.700000113.8T237 C241T237-A239 PolarHBondContact O-N 3.14Å; A239-C241 VanDerWaalsContact C-N 3.27Å; A239-C241 PolarHBondContact O-N 2.93Å; A239-C241 VanDerWaalsContact O-N 3.16Å
240S75.1Confident87.8Confident21 Ų2137.9 Ų37.915%0.14724%0.241CC..G310 helixtrans-79.34.1-165.568.50000116T237 P238 G242 A243T237-S240 PolarHBondContact N-OG 2.98Å; T237-S240 WeakPolarHBondContact O-CB 3.45Å; T237-S240 PolarHBondContact O-N 3.36Å; T237-S240 PolarHBondContact O-OG 3.39Å; T237-S240 WeakPolarHBondContact OG1-CB 3.33Å; T237-S240 PolarHBondContact OG1-N 2.84Å; P238-S240 VanDerWaalsContact C-N 3.32Å; P238-S240 PolarHBondContact O-N 3.33Å; S240-G242 PolarHBondContact O-N 2.68Å; S240-A243 WeakPolarHBondContact CB-O 3.47Å; S240-A243 PolarHBondContact O-N 3.18Å; S240-A243 PolarHBondContact OG-O 2.9Å
241C77.6Confident87.6Confident127 Ų12740 Ų4086%0.85825%0.251SS*.THydrogen-bonded Turntrans45.337.5172.1-63.20000114.9A239A239-C241 VanDerWaalsContact C-N 3.27Å; A239-C241 PolarHBondContact O-N 2.93Å; A239-C241 VanDerWaalsContact O-N 3.16Å
242G80.1Confident87.5Confident70 Ų7040.1 Ų40.172%0.72225%0.252SS*.THydrogen-bonded Turntrans86.30.7179.300000115.8S240S240-G242 PolarHBondContact O-N 2.68Å
243A88.2Confident87.4Confident57 Ų5740.4 Ų40.447%0.47125%0.253SS..SBendtrans-99.5157.3168.900000111L236 S240L236-A243 VanDerWaalsContact CD2-C 3.41Å; L236-A243 WeakPolarHBondContact CD2-O 3.38Å; S240-A243 WeakPolarHBondContact CB-O 3.47Å; S240-A243 PolarHBondContact O-N 3.18Å; S240-A243 PolarHBondContact OG-O 2.9Å
244Y89.6Confident87.3Confident35 Ų3545.1 Ų45.114%0.13729%0.287CS..PPolyproline II helixtrans-67136.9171.1-67.5-70.5000110.5T34 Y35 P234 T235 L236 R246 V374T34-Y244 HydrophobicContact CG2-CD2 4.23Å; T34-Y244 HydrophobicContact CG2-CE2 4.45Å; Y35-Y244 HydrophobicContact CD2-CD1 4.44Å; Y35-Y244 AromaticContact CD2-CE1 3.89Å; Y35-Y244 HydrophobicContact CD2-CE1 3.89Å; Y35-Y244 HydrophobicContact CD2-CE2 4.16Å; Y35-Y244 AromaticContact CD2-CZ 3.74Å; P234-Y244 HydrophobicContact CB-CD1 3.87Å; P234-Y244 HydrophobicContact CB-CG 3.97Å; T235-Y244 WeakPolarHBondContact O-CA 3.4Å; L236-Y244 HydrophobicContact CD2-CD1 3.82Å; L236-Y244 HydrophobicContact CD2-CE1 4.07Å; L236-Y244 HydrophobicContact CD2-CG 4.23Å; L236-Y244 HydrophobicContact CG-CD1 4.17Å; L236-Y244 HydrophobicContact CG-CE1 4.15Å; Y244-R246 PolarHBondContact O-N 3.24Å; Y244-V374 WeakPolarHBondContact OH-CG2 3.19Å
245S88.1Confident87.2Confident2 Ų245.6 Ų45.61%0.01429%0.29CS..PPolyproline II helixtrans-53.3135.8178.3164.20000110.5R42 T235 H247 E251R42-S245 PolarHBondContact NH2-O 3.2Å; T235-S245 PolarHBondContact O-N 3.43Å; S245-H247 PolarHBondContact OG-N 3.18Å; S245-E251 WeakPolarHBondContact CB-OE1 3.34Å; S245-E251 PolarHBondContact OG-OE1 3.47Å; S245-E251 PolarHBondContact OG-OE2 3.44Å
246R81.9Confident87.3Confident146 Ų14645.6 Ų45.655%0.55129%0.29SS*.SBendtrans-97.7-9.3175.1-68.6-173.8172.6-169.5-3.6112.7M1 Y244 P248M1-R246 VanDerWaalsContact CB-O 3.25Å; M1-R246 WeakPolarHBondContact CB-O 3.17Å; Y244-R246 PolarHBondContact O-N 3.24Å; R246-P248 VanDerWaalsContact C-CD 3.46Å; R246-P248 WeakPolarHBondContact O-CD 3.28Å
247H84.3Confident87.2Confident84 Ų8445.4 Ų45.439%0.38929%0.293SS..  trans-126.453.7-172.2-61.3-112.1000111.9M1 S245 I249 G250 E251M1-H247 WeakPolarHBondContact CE-CE1 3.39Å; M1-H247 WeakPolarHBondContact CE-ND1 3.29Å; M1-H247 HydrophobicContact SD-CB 4.45Å; M1-H247 PolarHBondContact SD-CE1 3.49Å; M1-H247 PolarHBondContact SD-ND1 2.94Å; S245-H247 PolarHBondContact OG-N 3.18Å; H247-I249 VanDerWaalsContact C-N 3.3Å; H247-I249 PolarHBondContact O-N 3.46Å; H247-G250 PolarHBondContact O-N 3.1Å; H247-E251 HydrophobicContact CB-CG 4.43Å; H247-E251 WeakPolarHBondContact O-CB 3.42Å; H247-E251 WeakPolarHBondContact O-CG 3.44Å; H247-E251 PolarHBondContact O-N 3.48Å
248P80Confident87Confident5 Ų547.9 Ų47.93%0.03231%0.31CS..Hα-helixtrans-61.7-36-168.130.2-40.5000113.3R42 R246 L252R42-P248 VanDerWaalsContact CZ-CG 3.43Å; R246-P248 VanDerWaalsContact C-CD 3.46Å; R246-P248 WeakPolarHBondContact O-CD 3.28Å; P248-L252 WeakPolarHBondContact O-CB 3.49Å; P248-L252 PolarHBondContact O-N 3.49Å
249I91.3Very high87.3Confident1 Ų146.1 Ų46.11%0.00529%0.292CS..Hα-helixtrans-71.7-50-178.6-56.8179.5000109.8V3 I130 F159 L161 H247 E251 L252 M253V3-I249 HydrophobicContact CB-CD1 4.4Å; V3-I249 HydrophobicContact CG1-CD1 3.75Å; V3-I249 HydrophobicContact CG2-CD1 3.72Å; V3-I249 HydrophobicContact CG2-CG1 4.26Å; I130-I249 HydrophobicContact CD1-CD1 4.04Å; I130-I249 HydrophobicContact CG1-CD1 3.79Å; F159-I249 HydrophobicContact CB-CB 4.38Å; F159-I249 HydrophobicContact CB-CG2 3.54Å; F159-I249 HydrophobicContact CG-CG2 4.24Å; L161-I249 HydrophobicContact CB-CG2 4.13Å; H247-I249 VanDerWaalsContact C-N 3.3Å; H247-I249 PolarHBondContact O-N 3.46Å; I249-E251 PolarHBondContact O-N 3.27Å; I249-L252 WeakPolarHBondContact O-CB 3.4Å; I249-L252 PolarHBondContact O-N 3.09Å; I249-L252 VanDerWaalsContact O-N 3.14Å; I249-M253 HydrophobicContact CG2-CE 3.66Å; I249-M253 HydrophobicContact CG2-CG 4.36Å; I249-M253 VanDerWaalsContact O-CG 3.29Å; I249-M253 WeakPolarHBondContact O-CG 3.28Å; I249-M253 PolarHBondContact O-N 3.45Å
250G91.7Very high87.8Confident13 Ų1346.7 Ų46.713%0.13429%0.289CS..Hα-helixtrans-61-42.8179.200000112.8H247 L252 M253 S254H247-G250 PolarHBondContact O-N 3.1Å; G250-L252 VanDerWaalsContact C-N 3.35Å; G250-M253 PolarHBondContact O-N 3.43Å; G250-S254 WeakPolarHBondContact O-CB 3.21Å; G250-S254 PolarHBondContact O-N 2.98Å
251E92.2Very high88.6Confident44 Ų4449.1 Ų49.121%0.20630%0.298CS..Hα-helixtrans-65.4-37.2174.8-69.1178.6-131.800111.9T237 S245 H247 I249 A255 W370T237-E251 WeakPolarHBondContact CB-OE2 3.18Å; T237-E251 WeakPolarHBondContact CG2-OE2 3.33Å; T237-E251 PolarHBondContact OG1-OE2 2.84Å; S245-E251 WeakPolarHBondContact CB-OE1 3.34Å; S245-E251 PolarHBondContact OG-OE1 3.47Å; S245-E251 PolarHBondContact OG-OE2 3.44Å; H247-E251 HydrophobicContact CB-CG 4.43Å; H247-E251 WeakPolarHBondContact O-CB 3.42Å; H247-E251 WeakPolarHBondContact O-CG 3.44Å; H247-E251 PolarHBondContact O-N 3.48Å; I249-E251 PolarHBondContact O-N 3.27Å; E251-A255 VanDerWaalsContact O-CB 3.29Å; E251-A255 WeakPolarHBondContact O-CB 3.47Å; E251-A255 PolarHBondContact O-N 3.15Å; E251-W370 HydrophobicContact CB-CH2 4.12Å; E251-W370 HydrophobicContact CB-CZ2 3.73Å
252L94Very high89.4Confident5 Ų544 Ų443%0.02626%0.261CS..Hα-helixtrans-64.6-43.1174.6-175.7147.1000111.6V231 P248 I249 G250 A255 L256 L265 L335 W370V231-L252 HydrophobicContact CG1-CD1 3.44Å; V231-L252 VanDerWaalsContact CG1-CD1 3.44Å; P248-L252 WeakPolarHBondContact O-CB 3.49Å; P248-L252 PolarHBondContact O-N 3.49Å; I249-L252 WeakPolarHBondContact O-CB 3.4Å; I249-L252 PolarHBondContact O-N 3.09Å; I249-L252 VanDerWaalsContact O-N 3.14Å; G250-L252 VanDerWaalsContact C-N 3.35Å; L252-A255 PolarHBondContact O-N 3.25Å; L252-L256 HydrophobicContact CD2-CD1 3.98Å; L252-L256 HydrophobicContact CG-CD1 3.9Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 PolarHBondContact O-N 2.84Å; L252-L265 HydrophobicContact CD2-CD1 3.79Å; L252-L335 HydrophobicContact CD1-CD2 4.16Å; L252-L335 HydrophobicContact CG-CD2 4.13Å; L252-W370 HydrophobicContact CB-CH2 3.86Å
253M93.1Very high90.2Very high12 Ų1242 Ų426%0.05923%0.233CC..Hα-helixtrans-63.7-48177-64.2-50152.900111.1F159 L161 D192 A193 I249 G250 A255 L256 A257F159-M253 HydrophobicContact CD1-CB 4.44Å; F159-M253 HydrophobicContact CD1-CG 3.97Å; F159-M253 HydrophobicContact CE1-CB 4.41Å; F159-M253 HydrophobicContact CE1-CG 4.43Å; L161-M253 HydrophobicContact CB-CE 3.52Å; L161-M253 HydrophobicContact CD1-CE 3.61Å; L161-M253 HydrophobicContact CD2-CE 4.32Å; L161-M253 HydrophobicContact CG-CE 3.97Å; D192-M253 HydrophobicContact CB-CG 4.16Å; D192-M253 HydrophobicContact CB-SD 3.97Å; A193-M253 HydrophobicContact CB-CE 3.78Å; A193-M253 HydrophobicContact CB-SD 3.3Å; A193-M253 WeakPolarHBondContact CB-SD 3.38Å; I249-M253 HydrophobicContact CG2-CE 3.66Å; I249-M253 HydrophobicContact CG2-CG 4.36Å; I249-M253 VanDerWaalsContact O-CG 3.29Å; I249-M253 WeakPolarHBondContact O-CG 3.28Å; I249-M253 PolarHBondContact O-N 3.45Å; G250-M253 PolarHBondContact O-N 3.43Å; M253-A255 PolarHBondContact O-N 2.96Å; M253-L256 PolarHBondContact O-N 3.41Å; M253-A257 PolarHBondContact O-N 3.14Å
254S91.8Very high90.6Very high100 Ų10039.9 Ų39.970%0.69921%0.213SC*.Hα-helixtrans-59.6-32.7178.2-172.30000112.4G250G250-S254 WeakPolarHBondContact O-CB 3.21Å; G250-S254 PolarHBondContact O-N 2.98Å
255A93.2Very high91Very high10 Ų1038.2 Ų38.28%0.08321%0.207CC..Hα-helixtrans-79.9-29.1179.900000113.9E251 L252 M253 A333 S368E251-A255 VanDerWaalsContact O-CB 3.29Å; E251-A255 WeakPolarHBondContact O-CB 3.47Å; E251-A255 PolarHBondContact O-N 3.15Å; L252-A255 PolarHBondContact O-N 3.25Å; M253-A255 PolarHBondContact O-N 2.96Å; A255-A333 WeakPolarHBondContact O-CB 3.35Å; A255-S368 WeakPolarHBondContact CB-OG 3.08Å
256L95.2Very high91.4Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-120.7-30.2-167-67.5174.2000115L252 M253 L265 A333 L335 V386 N388L252-L256 HydrophobicContact CD2-CD1 3.98Å; L252-L256 HydrophobicContact CG-CD1 3.9Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 PolarHBondContact O-N 2.84Å; M253-L256 PolarHBondContact O-N 3.41Å; L256-L265 HydrophobicContact CB-CD1 4.42Å; L256-L265 HydrophobicContact CB-CD2 3.76Å; L256-L265 HydrophobicContact CD1-CD1 3.93Å; L256-L265 HydrophobicContact CD1-CD2 4.14Å; L256-L265 HydrophobicContact CG-CD2 4.49Å; L256-A333 HydrophobicContact CD2-CB 4.4Å; L256-L335 HydrophobicContact CD1-CB 3.99Å; L256-L335 HydrophobicContact CD1-CD2 4.25Å; L256-L335 HydrophobicContact CD2-CB 3.74Å; L256-L335 HydrophobicContact CG-CB 3.97Å; L256-V386 HydrophobicContact CD1-CB 3.83Å; L256-V386 HydrophobicContact CD1-CG1 3.46Å; L256-V386 VanDerWaalsContact CD1-CG1 3.46Å; L256-N388 WeakPolarHBondContact O-CB 3.37Å; L256-N388 PolarHBondContact O-ND2 3.44Å
257A91.3Very high92.1Very high24 Ų2431.9 Ų31.920%0.19818%0.184CC..  trans-111.455.6-175.300000110.2A193 M253 H259A193-A257 HydrophobicContact CB-CB 4.49Å; M253-A257 PolarHBondContact O-N 3.14Å; A257-H259 PolarHBondContact O-N 3.47Å
258C85.8Confident92.6Very high61 Ų6128.3 Ų28.341%0.41217%0.168SC..  trans-67.4-15.3-17758.10000114
259H90.6Very high93.3Very high73 Ų7328.9 Ų28.934%0.33817%0.172SC..SBendtrans-137.2135.6177.3-174.4-88000110.4A257 E261 Y262 W360A257-H259 PolarHBondContact O-N 3.47Å; H259-E261 WeakPolarHBondContact ND1-CB 3.25Å; H259-E261 PolarHBondContact ND1-N 3.24Å; H259-E261 PolarHBondContact O-N 2.61Å; H259-E261 VanDerWaalsContact O-N 3.15Å; H259-Y262 HydrophobicContact CB-CD2 3.97Å; H259-Y262 AromaticContact ND1-CD2 3.68Å; H259-Y262 AromaticContact ND1-CE2 3.9Å; H259-Y262 PolarHBondContact O-N 3.38Å; H259-W360 HydrophobicContact CB-CH2 4.29Å
260P88.8Confident93.4Very high91 Ų9128.9 Ų28.959%0.59117%0.172SC*.THydrogen-bonded Turntrans-64.5-21.7-172.825.6-35.7000113.7Y262 K263P260-Y262 PolarHBondContact O-N 2.94Å; P260-K263 WeakPolarHBondContact O-CE 3.27Å; P260-K263 WeakPolarHBondContact O-CG 3.11Å
261E91.4Very high93.6Very high72 Ų7228.5 Ų28.534%0.33617%0.167SC..THydrogen-bonded Turntrans-75.9-7.7173.9-66.9-171.117800114.2Y188 H259 S439Y188-E261 PolarHBondContact OH-O 3.34Å; H259-E261 WeakPolarHBondContact ND1-CB 3.25Å; H259-E261 PolarHBondContact ND1-N 3.24Å; H259-E261 PolarHBondContact O-N 2.61Å; H259-E261 VanDerWaalsContact O-N 3.15Å; E261-S439 PolarHBondContact OE2-OG 3Å
262Y95.1Very high93.5Very high20 Ų2027.3 Ų27.38%0.07816%0.161CC..  trans-125.889.7-176.5-60.3-82.3000110.5Y188 H259 P260 L332 W360 N388 S439 Y440 L443Y188-Y262 WeakPolarHBondContact OH-CA 3.37Å; H259-Y262 HydrophobicContact CB-CD2 3.97Å; H259-Y262 AromaticContact ND1-CD2 3.68Å; H259-Y262 AromaticContact ND1-CE2 3.9Å; H259-Y262 PolarHBondContact O-N 3.38Å; P260-Y262 PolarHBondContact O-N 2.94Å; Y262-L332 VanDerWaalsContact CB-CD2 3.47Å; Y262-L332 HydrophobicContact CD1-CD2 4.37Å; Y262-L332 HydrophobicContact CD2-CD2 3.87Å; Y262-L332 HydrophobicContact CG-CD2 3.66Å; Y262-W360 HydrophobicContact CD2-CZ2 4.5Å; Y262-W360 HydrophobicContact CE2-CZ2 4.05Å; Y262-N388 PolarHBondContact O-ND2 2.95Å; Y262-S439 VanDerWaalsContact CE1-O 3.31Å; Y262-S439 WeakPolarHBondContact CE1-O 3.31Å; Y262-S439 PolarHBondContact OH-O 2.86Å; Y262-Y440 VanDerWaalsContact C-OH 3.28Å; Y262-Y440 WeakPolarHBondContact CA-OH 3.44Å; Y262-Y440 HydrophobicContact CD1-CD1 4.04Å; Y262-Y440 AromaticContact CD1-CD2 3.96Å; Y262-Y440 HydrophobicContact CD1-CD2 3.96Å; Y262-Y440 AromaticContact CD1-CE1 3.83Å; Y262-Y440 HydrophobicContact CD1-CE1 3.83Å; Y262-Y440 AromaticContact CD1-CE2 3.76Å; Y262-Y440 HydrophobicContact CD1-CE2 3.76Å; Y262-Y440 HydrophobicContact CD1-CG 4.1Å; Y262-Y440 AromaticContact CD1-CZ 3.68Å; Y262-Y440 HydrophobicContact CE1-CD1 4.44Å; Y262-Y440 HydrophobicContact CE1-CD2 4.34Å; Y262-Y440 HydrophobicContact CE1-CG 4.28Å; Y262-L443 HydrophobicContact CD1-CD1 4.23Å; Y262-L443 HydrophobicContact CD1-CD2 4.17Å; Y262-L443 HydrophobicContact CD1-CG 4.39Å; Y262-L443 HydrophobicContact CE1-CD1 4.02Å; Y262-L443 HydrophobicContact CE1-CD2 3.57Å; Y262-L443 HydrophobicContact CE1-CG 3.72Å; Y262-L443 HydrophobicContact CE2-CD2 4.47Å
263K96.3Very high93.4Very high28 Ų2828.9 Ų28.912%0.12217%0.169CC..  trans-116-5.8-173.8-63.3-177178.4-175.30114.5Y188 S191 I194 P260 Y440Y188-K263 HydrophobicContact CD1-CD 4.44Å; Y188-K263 HydrophobicContact CE1-CD 4.33Å; Y188-K263 HydrophobicContact CE1-CG 4.42Å; Y188-K263 HydrophobicContact CE2-CB 3.99Å; Y188-K263 WeakPolarHBondContact O-CD 3.4Å; Y188-K263 PolarHBondContact O-NZ 3.27Å; Y188-K263 PolarHBondContact OH-N 3.46Å; S191-K263 WeakPolarHBondContact O-CD 3.45Å; S191-K263 WeakPolarHBondContact O-CE 3.41Å; S191-K263 PolarHBondContact O-NZ 2.73Å; I194-K263 PolarHBondContact N-O 2.77Å; P260-K263 WeakPolarHBondContact O-CE 3.27Å; P260-K263 WeakPolarHBondContact O-CG 3.11Å; K263-Y440 PolarHBondContact N-OH 3.18Å; K263-Y440 VanDerWaalsContact N-OH 3.17Å
264L97.3Very high93.3Very high11 Ų1129 Ų296%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-83.4119.5-176.7-59.9179000110.8Y188 I194 N388 L392 L396 V436 Y440Y188-L264 HydrophobicContact CE2-CD2 4.12Å; Y188-L264 HydrophobicContact CE2-CG 4.03Å; I194-L264 HydrophobicContact CB-CD2 4.16Å; I194-L264 HydrophobicContact CD1-CD2 4.35Å; I194-L264 HydrophobicContact CG2-CD2 4.37Å; L264-N388 PolarHBondContact O-OD1 2.95Å; L264-L392 HydrophobicContact CB-CD1 3.88Å; L264-L396 HydrophobicContact CD1-CD2 3.95Å; L264-V436 HydrophobicContact CD1-CG1 4.29Å; L264-Y440 HydrophobicContact CB-CE2 4.37Å; L264-Y440 HydrophobicContact CD1-CE2 4.13Å; L264-Y440 HydrophobicContact CG-CE2 4.23Å; L264-Y440 PolarHBondContact N-OH 3.35Å; L264-Y440 PolarHBondContact O-OH 2.77Å
265L97.9Very high93.1Very high1 Ų127.9 Ų27.91%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-113133.3-179.8-52.7-177.6000109.8A193 I194 L195 V196 L252 L256 V386 N388A193-L265 HydrophobicContact CB-CD1 3.61Å; A193-L265 HydrophobicContact CB-CG 4.04Å; I194-L265 PolarHBondContact O-N 3.12Å; L195-L265 WeakPolarHBondContact CA-O 3.06Å; L195-L265 HydrophobicContact CB-CB 4.49Å; L195-L265 HydrophobicContact CD1-CB 3.78Å; V196-L265 PolarHBondContact N-O 2.81Å; L252-L265 HydrophobicContact CD2-CD1 3.79Å; L256-L265 HydrophobicContact CB-CD1 4.42Å; L256-L265 HydrophobicContact CB-CD2 3.76Å; L256-L265 HydrophobicContact CD1-CD1 3.93Å; L256-L265 HydrophobicContact CD1-CD2 4.14Å; L256-L265 HydrophobicContact CG-CD2 4.49Å; L265-V386 HydrophobicContact CB-CG1 4.09Å; L265-V386 HydrophobicContact CD1-CG1 4.39Å; L265-N388 HydrophobicContact CD2-CB 3.74Å
266S96.7Very high92.9Very high4 Ų431.6 Ų31.63%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-112.5151.3171.171.40000110.3K301 V386 S387S266-K301 VanDerWaalsContact CB-NZ 3.32Å; S266-K301 PolarHBondContact OG-NZ 3.09Å; S266-V386 CarbonylContact O-C 3.58Å; S266-V386 WeakPolarHBondContact O-CA 3.1Å; S266-S387 PolarHBondContact N-O 2.94Å; S266-S387 PolarHBondContact O-N 3.12Å; S266-S387 PolarHBondContact OG-O 3.06Å
267V96.1Very high92.7Very high11 Ų1133.6 Ų33.67%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-122.3141.6179.460.80000111.9L195 H197 Q227 V231 T384 L385 V386L195-V267 HydrophobicContact CD1-CB 4.2Å; L195-V267 HydrophobicContact CD1-CG1 4.42Å; H197-V267 WeakPolarHBondContact NE2-CG1 3.27Å; Q227-V267 HydrophobicContact CB-CG1 4.4Å; Q227-V267 HydrophobicContact CB-CG2 4.47Å; V231-V267 HydrophobicContact CG2-CG2 4.1Å; V267-T384 HydrophobicContact CG2-CG2 3.73Å; V267-L385 CarbonylContact C-O 3.35Å; V267-L385 WeakPolarHBondContact CA-O 3.38Å; V267-V386 HydrophobicContact CG2-CG2 4.37Å
268C94.6Very high92.7Very high8 Ų833.8 Ų33.85%0.05420%0.201CC..EExtended strand (participates in β ladder)trans-130.6143.3171.3-178.70000108.8L292 M295 T384 L385C268-L292 HydrophobicContact CB-CD1 4.22Å; C268-M295 WeakPolarHBondContact SG-CE 3.49Å; C268-T384 CarbonylContact O-C 3.59Å; C268-T384 WeakPolarHBondContact O-CA 3.36Å; C268-L385 HydrophobicContact CB-CB 4.5Å; C268-L385 PolarHBondContact N-O 3.41Å; C268-L385 PolarHBondContact O-N 2.87Å
269T94.6Very high92.8Very high17 Ų1735.2 Ų35.210%0.10422%0.217CC..EExtended strand (participates in β ladder)trans-140.5138.1178.3-63.40000110Q272 A383 T384T269-Q272 WeakPolarHBondContact O-CG 3.49Å; T269-Q272 PolarHBondContact O-NE2 3.49Å; T269-A383 WeakPolarHBondContact CA-O 3.25Å; T269-T384 WeakPolarHBondContact CG2-OG1 3.49Å; T269-T384 WeakPolarHBondContact OG1-CG2 3.35Å; T269-T384 PolarHBondContact OG1-OG1 2.88Å; T269-T384 VanDerWaalsContact OG1-OG1 3.07Å
270I94.8Very high92.8Very high2 Ų240.4 Ų40.41%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-134.1153.5173.759.9160.2000110.4L288 L292 M295 E303 S382 A383I270-L288 HydrophobicContact CD1-CB 3.62Å; I270-L288 HydrophobicContact CD1-CD2 3.89Å; I270-L288 HydrophobicContact CD1-CG 4.34Å; I270-L288 WeakPolarHBondContact CD1-O 3.46Å; I270-L288 HydrophobicContact CG1-CD2 4.42Å; I270-L292 HydrophobicContact CD1-CB 3.63Å; I270-L292 HydrophobicContact CD1-CD2 4.37Å; I270-L292 HydrophobicContact CD1-CG 4.45Å; I270-L292 HydrophobicContact CG1-CB 4.21Å; I270-L292 HydrophobicContact CG1-CD1 4.34Å; I270-L292 HydrophobicContact CG1-CD2 4.27Å; I270-L292 HydrophobicContact CG2-CD1 4.5Å; I270-M295 HydrophobicContact CG2-CE 4.36Å; I270-M295 HydrophobicContact CG2-SD 3.74Å; I270-E303 HydrophobicContact CG2-CG 4.24Å; I270-S382 CarbonylContact O-C 3.47Å; I270-S382 WeakPolarHBondContact O-CA 3.22Å; I270-A383 HydrophobicContact CD1-CB 4.48Å; I270-A383 HydrophobicContact CG1-CB 4.01Å; I270-A383 PolarHBondContact N-O 3.07Å; I270-A383 PolarHBondContact O-N 2.85Å
271P94.1Very high92.9Very high4 Ų438.1 Ų38.13%0.02623%0.225CC..  cis-72.2161.5-11.332.6-37.7000112.6M273 F283 L288 Y379 K381P271-M273 HydrophobicContact CB-CE 3.99Å; P271-F283 HydrophobicContact CB-CD1 4.47Å; P271-F283 HydrophobicContact CB-CE1 4.03Å; P271-F283 HydrophobicContact CG-CD1 3.95Å; P271-F283 HydrophobicContact CG-CE1 3.58Å; P271-F283 HydrophobicContact CG-CZ 4.42Å; P271-L288 HydrophobicContact CB-CD2 4.27Å; P271-Y379 HydrophobicContact CB-CE1 4.27Å; P271-Y379 HydrophobicContact CG-CD1 3.39Å; P271-Y379 HydrophobicContact CG-CD2 4.15Å; P271-Y379 HydrophobicContact CG-CE1 3.54Å; P271-Y379 HydrophobicContact CG-CE2 4.28Å; P271-Y379 HydrophobicContact CG-CG 3.7Å; P271-Y379 WeakPolarHBondContact O-CE2 3.37Å; P271-K381 WeakPolarHBondContact CD-O 3.18Å
272Q90.6Very high92.9Very high19 Ų1941.3 Ų41.39%0.08925%0.249CC..  trans-131.2110.4168.6-72.1-176.5-9.200109.5I205 L209 Q227 T269I205-Q272 VanDerWaalsContact CD1-OE1 3.31Å; L209-Q272 HydrophobicContact CB-CB 4.49Å; L209-Q272 HydrophobicContact CD1-CB 3.78Å; Q227-Q272 VanDerWaalsContact NE2-NE2 3.12Å; T269-Q272 WeakPolarHBondContact O-CG 3.49Å; T269-Q272 PolarHBondContact O-NE2 3.49Å
273M91.9Very high92.8Very high38 Ų3841.5 Ų41.519%0.18725%0.251CS..  trans-151.5162.3-17859.4177.767.300112.1L210 P271 I278 S281 F283 Y379L210-M273 VanDerWaalsContact CD2-C 3.49Å; L210-M273 VanDerWaalsContact CD2-O 3.31Å; L210-M273 WeakPolarHBondContact CD2-O 3.31Å; P271-M273 HydrophobicContact CB-CE 3.99Å; M273-I278 HydrophobicContact CG-CG1 4Å; M273-I278 HydrophobicContact SD-CG1 4.11Å; M273-S281 PolarHBondContact SD-OG 3.35Å; M273-S281 VanDerWaalsContact SD-OG 3.37Å; M273-F283 HydrophobicContact CE-CE1 3.79Å; M273-F283 HydrophobicContact CE-CZ 4.26Å; M273-F283 HydrophobicContact SD-CE1 4.33Å; M273-F283 HydrophobicContact SD-CZ 4.2Å; M273-Y379 HydrophobicContact CG-CE1 3.78Å; M273-Y379 PolarHBondContact N-OH 3.37Å; M273-Y379 VanDerWaalsContact N-OH 3.09Å; M273-Y379 PolarHBondContact O-OH 2.85Å; M273-Y379 HydrophobicContact SD-CE1 4.28Å
274A91.3Very high92.8Very high15 Ų1542.8 Ų42.812%0.12426%0.263CS..  trans-58.9142.6174.100000111.6S276 S277A274-S276 PolarHBondContact O-N 2.87Å; A274-S276 VanDerWaalsContact O-N 3.13Å; A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 3Å
275S87.9Confident92.8Very high76 Ų7642.5 Ų42.553%0.53126%0.261SS..Hα-helixtrans-59.3-29.8-177.7-57.10000113.8S277 I278S275-S277 VanDerWaalsContact C-N 3.25Å; S275-S277 PolarHBondContact O-N 3.42Å; S275-I278 PolarHBondContact O-N 2.92Å
276S89.3Confident92.7Very high89 Ų8947 Ų4762%0.62229%0.29SS*.Hα-helixtrans-67.6-23.9175.350.80000113.3A274 F280A274-S276 PolarHBondContact O-N 2.87Å; A274-S276 VanDerWaalsContact O-N 3.13Å; S276-F280 VanDerWaalsContact O-CD2 3.25Å; S276-F280 WeakPolarHBondContact O-CD2 3.33Å; S276-F280 WeakPolarHBondContact O-CE2 3.49Å
277S91.4Very high92.6Very high42 Ų4248.8 Ų48.829%0.29431%0.306SS..Hα-helixtrans-86.3-19.6-179.6-59.30000113.2A274 S275 A279 F280 S281A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 3Å; S275-S277 VanDerWaalsContact C-N 3.25Å; S275-S277 PolarHBondContact O-N 3.42Å; S277-A279 PolarHBondContact O-N 3.2Å; S277-F280 PolarHBondContact O-N 2.86Å; S277-S281 PolarHBondContact O-N 3.48Å; S277-S281 PolarHBondContact O-OG 2.86Å
278I90.3Very high92.6Very high28 Ų2848.9 Ų48.914%0.14431%0.306CS..Hα-helixtrans-60.3-45.7-175.1-60.8179.4000111.3M273 S275 F280 S281 F283 Y379M273-I278 HydrophobicContact CG-CG1 4Å; M273-I278 HydrophobicContact SD-CG1 4.11Å; S275-I278 PolarHBondContact O-N 2.92Å; I278-F280 PolarHBondContact O-N 2.83Å; I278-F280 VanDerWaalsContact O-N 3.11Å; I278-S281 PolarHBondContact O-N 2.92Å; I278-S281 VanDerWaalsContact O-N 3.12Å; I278-F283 HydrophobicContact CG2-CE2 4.49Å; I278-F283 HydrophobicContact CG2-CZ 4.44Å; I278-Y379 HydrophobicContact CD1-CD1 4.29Å; I278-Y379 HydrophobicContact CD1-CE1 3.73Å; I278-Y379 HydrophobicContact CG1-CD1 4.43Å; I278-Y379 HydrophobicContact CG1-CE1 3.8Å; I278-Y379 HydrophobicContact CG2-CD1 4.44Å
279A89.1Confident92.7Very high90 Ų9048.9 Ų48.974%0.74431%0.305SS*.THydrogen-bonded Turntrans-64.2-17.1-177.500000114.2S277S277-A279 PolarHBondContact O-N 3.2Å
280F90.1Very high92.7Very high183 Ų18354.5 Ų54.580%0.80333%0.328SS*.THydrogen-bonded Turntrans-109.17.4-179.2-52.3-74.6000112.7S276 S277 I278S276-F280 VanDerWaalsContact O-CD2 3.25Å; S276-F280 WeakPolarHBondContact O-CD2 3.33Å; S276-F280 WeakPolarHBondContact O-CE2 3.49Å; S277-F280 PolarHBondContact O-N 2.86Å; I278-F280 PolarHBondContact O-N 2.83Å; I278-F280 VanDerWaalsContact O-N 3.11Å
281S90.8Very high92.7Very high42 Ų4257.1 Ų57.129%0.29434%0.34SS..  trans-107138.1-175.6-63.40000111.1M273 S277 I278M273-S281 PolarHBondContact SD-OG 3.35Å; M273-S281 VanDerWaalsContact SD-OG 3.37Å; S277-S281 PolarHBondContact O-N 3.48Å; S277-S281 PolarHBondContact O-OG 2.86Å; I278-S281 PolarHBondContact O-N 2.92Å; I278-S281 VanDerWaalsContact O-N 3.12Å
282T90.9Very high92.8Very high139 Ų13957 Ų5785%0.85334%0.339SS*.  trans-104.7127173.6530000110.3
283F93.1Very high93Very high24 Ų2458.6 Ų58.611%0.10534%0.344CS..  trans-103.9119.3-177.3-53.5-74.8000111.3P271 M273 I278 L288 Y379 E380 K381P271-F283 HydrophobicContact CB-CD1 4.47Å; P271-F283 HydrophobicContact CB-CE1 4.03Å; P271-F283 HydrophobicContact CG-CD1 3.95Å; P271-F283 HydrophobicContact CG-CE1 3.58Å; P271-F283 HydrophobicContact CG-CZ 4.42Å; M273-F283 HydrophobicContact CE-CE1 3.79Å; M273-F283 HydrophobicContact CE-CZ 4.26Å; M273-F283 HydrophobicContact SD-CE1 4.33Å; M273-F283 HydrophobicContact SD-CZ 4.2Å; I278-F283 HydrophobicContact CG2-CE2 4.49Å; I278-F283 HydrophobicContact CG2-CZ 4.44Å; F283-L288 HydrophobicContact CB-CD1 4.35Å; F283-Y379 HydrophobicContact CE1-CD1 4.13Å; F283-Y379 HydrophobicContact CE2-CD1 4.47Å; F283-Y379 AromaticContact CZ-CD1 3.8Å; F283-Y379 HydrophobicContact CZ-CD1 3.8Å; F283-Y379 HydrophobicContact CZ-CE1 4.3Å; F283-E380 HydrophobicContact CD2-CB 4.31Å; F283-K381 HydrophobicContact CB-CB 4.03Å; F283-K381 HydrophobicContact CB-CD 4.23Å; F283-K381 HydrophobicContact CB-CG 4.4Å; F283-K381 WeakPolarHBondContact O-CD 3.41Å; F283-K381 PolarHBondContact O-NZ 2.89Å
284S95.5Very high93.1Very high55 Ų5557.6 Ų57.639%0.38534%0.34SS..  trans-119137.317374.50000110.5A287 L288S284-A287 PolarHBondContact O-N 2.92Å; S284-A287 VanDerWaalsContact OG-CB 3.23Å; S284-A287 WeakPolarHBondContact OG-CB 3.4Å; S284-A287 PolarHBondContact OG-N 2.94Å; S284-L288 WeakPolarHBondContact O-CG 3.38Å; S284-L288 PolarHBondContact O-N 3.46Å; S284-L288 VanDerWaalsContact O-N 3.09Å
285W97.2Very high93.3Very high6 Ų657.1 Ų57.12%0.02334%0.335CS..Hα-helixtrans-58.5-44.5178.3-72.8124.7000112.6A287 L288 L289 L338 R339 K341 D342 V343 A346 K381 S382 A383W285-A287 VanDerWaalsContact C-N 3.33Å; W285-A287 PolarHBondContact O-N 3.22Å; W285-L288 HydrophobicContact CE3-CD1 4.41Å; W285-L288 PolarHBondContact O-N 3.13Å; W285-L289 HydrophobicContact CB-CD1 4.49Å; W285-L289 HydrophobicContact CE3-CG 4.45Å; W285-L289 VanDerWaalsContact O-CB 3.3Å; W285-L289 WeakPolarHBondContact O-CB 3.5Å; W285-L289 VanDerWaalsContact O-CG 3.25Å; W285-L289 WeakPolarHBondContact O-CG 3.3Å; W285-L289 PolarHBondContact O-N 3.15Å; W285-L338 HydrophobicContact CH2-CB 4.03Å; W285-L338 HydrophobicContact CZ3-CB 4.26Å; W285-L338 HydrophobicContact CZ3-CD2 4.03Å; W285-R339 WeakPolarHBondContact CH2-O 3.38Å; W285-K341 PolarHBondContact NE1-O 2.79Å; W285-D342 PolarHBondContact NE1-O 3.5Å; W285-D342 VanDerWaalsContact NE1-O 3.12Å; W285-V343 HydrophobicContact CH2-CG2 4.5Å; W285-V343 HydrophobicContact CZ2-CB 4.17Å; W285-V343 HydrophobicContact CZ2-CG2 4.13Å; W285-A346 HydrophobicContact CB-CB 4.07Å; W285-A346 HydrophobicContact CD2-CB 3.78Å; W285-A346 HydrophobicContact CE3-CB 4.25Å; W285-A346 HydrophobicContact CG-CB 3.68Å; W285-K381 HydrophobicContact CD2-CD 4.11Å; W285-K381 HydrophobicContact CG-CD 4.26Å; W285-K381 HydrophobicContact CH2-CB 3.93Å; W285-K381 HydrophobicContact CH2-CG 4.42Å; W285-K381 HydrophobicContact CZ2-CB 3.87Å; W285-K381 HydrophobicContact CZ2-CD 4.21Å; W285-K381 HydrophobicContact CZ2-CG 3.84Å; W285-K381 HydrophobicContact CZ3-CB 4.33Å; W285-S382 WeakPolarHBondContact CH2-O 3.3Å; W285-A383 HydrophobicContact CZ3-CB 4.4Å
286P96.6Very high93.5Very high94 Ų9453.8 Ų53.861%0.6131%0.311SS*.Hα-helixtrans-59-41.1178.6-26.836.4000113.6K290P286-K290 WeakPolarHBondContact O-CB 3.33Å; P286-K290 PolarHBondContact O-N 3Å
287A94.8Very high93.7Very high43 Ų4349.6 Ų49.636%0.35528%0.281SS..Hα-helixtrans-69.1-48.3179.600000111.8S284 W285 K290 H291S284-A287 PolarHBondContact O-N 2.92Å; S284-A287 VanDerWaalsContact OG-CB 3.23Å; S284-A287 WeakPolarHBondContact OG-CB 3.4Å; S284-A287 PolarHBondContact OG-N 2.94Å; W285-A287 VanDerWaalsContact C-N 3.33Å; W285-A287 PolarHBondContact O-N 3.22Å; A287-K290 PolarHBondContact O-N 3.36Å; A287-H291 PolarHBondContact O-N 3.04Å; A287-H291 VanDerWaalsContact O-N 3.08Å
288L96Very high93.6Very high12 Ų1248.5 Ų48.56%0.06327%0.274CS..Hα-helixtrans-58.5-53.3178.1-69.9175.1000110.5I270 P271 F283 S284 W285 K290 H291 L292 K381I270-L288 HydrophobicContact CD1-CB 3.62Å; I270-L288 HydrophobicContact CD1-CD2 3.89Å; I270-L288 HydrophobicContact CD1-CG 4.34Å; I270-L288 WeakPolarHBondContact CD1-O 3.46Å; I270-L288 HydrophobicContact CG1-CD2 4.42Å; P271-L288 HydrophobicContact CB-CD2 4.27Å; F283-L288 HydrophobicContact CB-CD1 4.35Å; S284-L288 WeakPolarHBondContact O-CG 3.38Å; S284-L288 PolarHBondContact O-N 3.46Å; S284-L288 VanDerWaalsContact O-N 3.09Å; W285-L288 HydrophobicContact CE3-CD1 4.41Å; W285-L288 PolarHBondContact O-N 3.13Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.82Å; L288-H291 PolarHBondContact O-N 2.91Å; L288-H291 VanDerWaalsContact O-N 3.17Å; L288-L292 PolarHBondContact O-N 3.35Å; L288-K381 HydrophobicContact CD1-CB 3.97Å
289L96.8Very high93.5Very high8 Ų849.1 Ų49.14%0.04228%0.278CS..Hα-helixtrans-65.5-35.1-176.7-65.4-179.1000112.7W285 L292 R293 L336 L338 A346 E347 T348 F351 A383W285-L289 HydrophobicContact CB-CD1 4.49Å; W285-L289 HydrophobicContact CE3-CG 4.45Å; W285-L289 VanDerWaalsContact O-CB 3.3Å; W285-L289 WeakPolarHBondContact O-CB 3.5Å; W285-L289 VanDerWaalsContact O-CG 3.25Å; W285-L289 WeakPolarHBondContact O-CG 3.3Å; W285-L289 PolarHBondContact O-N 3.15Å; L289-L292 PolarHBondContact O-N 3.2Å; L289-R293 VanDerWaalsContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 PolarHBondContact O-N 3.03Å; L289-L336 HydrophobicContact CD2-CD2 4.3Å; L289-L338 HydrophobicContact CD2-CD2 3.75Å; L289-A346 HydrophobicContact CD1-CB 4.19Å; L289-E347 WeakPolarHBondContact CD1-O 3.49Å; L289-T348 HydrophobicContact CD1-CG2 4.3Å; L289-F351 HydrophobicContact CB-CE2 4.18Å; L289-F351 HydrophobicContact CD2-CE2 4.11Å; L289-A383 HydrophobicContact CD2-CB 4.38Å
290K95Very high93.5Very high135 Ų13545.4 Ų45.459%0.58725%0.246SC*.Hα-helixtrans-60.1-47.8172.1-179.3-177.7177.9-176.90111.6P286 A287 L288 Q294 W308P286-K290 WeakPolarHBondContact O-CB 3.33Å; P286-K290 PolarHBondContact O-N 3Å; A287-K290 PolarHBondContact O-N 3.36Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.82Å; K290-Q294 PolarHBondContact O-N 3.37Å; K290-Q294 VanDerWaalsContact O-N 3.11Å; K290-W308 HydrophobicContact CG-CH2 4.48Å; K290-W308 HydrophobicContact CG-CZ3 4.39Å
291H94.8Very high93.1Very high58 Ų5838 Ų3827%0.26921%0.214SC..Hα-helixtrans-63.7-48.1178.1-71.7-172.6000111A287 L288 R293 Q294 M295 E303 I306 W308A287-H291 PolarHBondContact O-N 3.04Å; A287-H291 VanDerWaalsContact O-N 3.08Å; L288-H291 PolarHBondContact O-N 2.91Å; L288-H291 VanDerWaalsContact O-N 3.17Å; H291-R293 VanDerWaalsContact C-N 3.32Å; H291-R293 PolarHBondContact O-N 2.81Å; H291-Q294 PolarHBondContact O-N 3.34Å; H291-Q294 VanDerWaalsContact O-N 3.11Å; H291-M295 WeakPolarHBondContact O-CB 3.2Å; H291-M295 WeakPolarHBondContact O-CG 3.41Å; H291-M295 PolarHBondContact O-N 2.86Å; H291-E303 IonicContact CE1-OE1 3.72Å; H291-E303 IonicContact CG-OE1 3.73Å; H291-E303 IonicContact ND1-OE1 2.77Å; H291-E303 PolarHBondContact ND1-OE1 3.24Å; H291-I306 HydrophobicContact CB-CD1 4.33Å; H291-W308 AromaticContact CD2-CH2 3.59Å; H291-W308 AromaticContact CD2-CZ2 3.9Å
292L96Very high92.8Very high0 Ų036.7 Ų36.70%020%0.203CC..Hα-helixtrans-61.5-39.1-179.4-172.457.7000112.8C268 I270 L288 L289 M295 L296 L336 F351 A383 L385C268-L292 HydrophobicContact CB-CD1 4.22Å; I270-L292 HydrophobicContact CD1-CB 3.63Å; I270-L292 HydrophobicContact CD1-CD2 4.37Å; I270-L292 HydrophobicContact CD1-CG 4.45Å; I270-L292 HydrophobicContact CG1-CB 4.21Å; I270-L292 HydrophobicContact CG1-CD1 4.34Å; I270-L292 HydrophobicContact CG1-CD2 4.27Å; I270-L292 HydrophobicContact CG2-CD1 4.5Å; L288-L292 PolarHBondContact O-N 3.35Å; L289-L292 PolarHBondContact O-N 3.2Å; L292-M295 WeakPolarHBondContact O-CB 3.16Å; L292-M295 PolarHBondContact O-N 3.23Å; L292-L296 PolarHBondContact O-N 3.45Å; L292-L336 HydrophobicContact CD2-CD1 3.6Å; L292-F351 HydrophobicContact CB-CZ 4.09Å; L292-F351 HydrophobicContact CD2-CZ 4.28Å; L292-F351 HydrophobicContact CG-CE1 4.41Å; L292-F351 HydrophobicContact CG-CZ 4.07Å; L292-A383 HydrophobicContact CD2-CB 3.61Å; L292-L385 HydrophobicContact CD1-CB 3.87Å; L292-L385 HydrophobicContact CD1-CD2 4.3Å; L292-L385 HydrophobicContact CD2-CB 4.1Å; L292-L385 HydrophobicContact CG-CB 4.15Å; L292-L385 HydrophobicContact CG-CD2 4.33Å
293R95.3Very high92.2Very high53 Ų5332.7 Ų32.720%0.218%0.175CC..Hα-helixtrans-63.5-44.6174.1-176.3-171.3174.3-84.81.3111.1L289 H291 M295 L296 I297 G350 F351 D353L289-R293 VanDerWaalsContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 PolarHBondContact O-N 3.03Å; H291-R293 VanDerWaalsContact C-N 3.32Å; H291-R293 PolarHBondContact O-N 2.81Å; R293-M295 VanDerWaalsContact C-N 3.3Å; R293-M295 PolarHBondContact O-N 3.42Å; R293-L296 WeakPolarHBondContact O-CB 3.21Å; R293-L296 PolarHBondContact O-N 2.91Å; R293-I297 PolarHBondContact O-N 3.33Å; R293-I297 VanDerWaalsContact O-N 3.15Å; R293-G350 VanDerWaalsContact CD-O 3.24Å; R293-G350 WeakPolarHBondContact CD-O 3.43Å; R293-G350 PolarHBondContact NE-O 3.15Å; R293-F351 HydrophobicContact CB-CE1 3.94Å; R293-F351 HydrophobicContact CB-CE2 4.17Å; R293-F351 HydrophobicContact CB-CZ 3.73Å; R293-F351 HydrophobicContact CG-CE1 4.44Å; R293-D353 IonicContact NH2-OD2 3.28Å; R293-D353 PolarHBondContact NH2-OD2 2.89Å
294Q94Very high91.2Very high18 Ų1834.6 Ų34.68%0.08420%0.201CC..Hα-helixtrans-65.3-38.9178.7-165.465.73100111.3K290 H291 L296 I297 S298 I306 D307 W308 V310K290-Q294 PolarHBondContact O-N 3.37Å; K290-Q294 VanDerWaalsContact O-N 3.11Å; H291-Q294 PolarHBondContact O-N 3.34Å; H291-Q294 VanDerWaalsContact O-N 3.11Å; Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 3.21Å; Q294-I297 WeakPolarHBondContact O-CG1 3.46Å; Q294-I297 PolarHBondContact O-N 3.18Å; Q294-S298 WeakPolarHBondContact O-CB 3.27Å; Q294-S298 PolarHBondContact O-N 2.99Å; Q294-S298 PolarHBondContact O-OG 3.27Å; Q294-I306 HydrophobicContact CB-CG2 3.86Å; Q294-I306 HydrophobicContact CG-CG2 3.21Å; Q294-D307 PolarHBondContact NE2-O 3.19Å; Q294-W308 HydrophobicContact CB-CE3 4.16Å; Q294-W308 HydrophobicContact CB-CH2 4.01Å; Q294-W308 HydrophobicContact CB-CZ3 3.71Å; Q294-W308 HydrophobicContact CG-CD2 4.08Å; Q294-W308 HydrophobicContact CG-CE3 3.62Å; Q294-W308 HydrophobicContact CG-CH2 4.28Å; Q294-W308 HydrophobicContact CG-CZ3 3.72Å; Q294-V310 PolarHBondContact NE2-O 2.95Å
295M93.7Very high90.4Very high4 Ų434 Ų342%0.0220%0.204CC..Hα-helixtrans-58.3-44.3173.5-72.6174.178.600111.9C268 I270 H291 L292 R293 N299 S300 M302 E303 I306C268-M295 WeakPolarHBondContact SG-CE 3.49Å; I270-M295 HydrophobicContact CG2-CE 4.36Å; I270-M295 HydrophobicContact CG2-SD 3.74Å; H291-M295 WeakPolarHBondContact O-CB 3.2Å; H291-M295 WeakPolarHBondContact O-CG 3.41Å; H291-M295 PolarHBondContact O-N 2.86Å; L292-M295 WeakPolarHBondContact O-CB 3.16Å; L292-M295 PolarHBondContact O-N 3.23Å; R293-M295 VanDerWaalsContact C-N 3.3Å; R293-M295 PolarHBondContact O-N 3.42Å; M295-N299 CarbonylContact O-C 3.58Å; M295-N299 PolarHBondContact O-N 3.35Å; M295-S300 VanDerWaalsContact CB-O 3.32Å; M295-S300 WeakPolarHBondContact CB-O 3.31Å; M295-S300 PolarHBondContact O-N 3.2Å; M295-M302 VanDerWaalsContact CE-C 3.46Å; M295-M302 VanDerWaalsContact CE-CA 3.41Å; M295-E303 HydrophobicContact SD-CG 4.04Å; M295-I306 HydrophobicContact CG-CD1 3.56Å; M295-I306 HydrophobicContact CG-CG1 3.5Å; M295-I306 HydrophobicContact SD-CD1 4.29Å
296L93.8Very high89.7Confident7 Ų734.7 Ų34.74%0.03721%0.208CC..Hα-helixtrans-56.6-55.9175.1173.260.3000111.6L292 R293 Q294 S298 N299 N329 N334 F351 I356 L385 S387L292-L296 PolarHBondContact O-N 3.45Å; R293-L296 WeakPolarHBondContact O-CB 3.21Å; R293-L296 PolarHBondContact O-N 2.91Å; Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 3.21Å; L296-S298 PolarHBondContact O-N 3.06Å; L296-N299 PolarHBondContact O-N 2.8Å; L296-N329 WeakPolarHBondContact O-CB 3.46Å; L296-N329 PolarHBondContact O-ND2 2.99Å; L296-N334 WeakPolarHBondContact CD2-ND2 3.18Å; L296-F351 HydrophobicContact CD2-CD1 4.06Å; L296-F351 HydrophobicContact CD2-CE1 4.27Å; L296-I356 HydrophobicContact CD2-CG2 3.92Å; L296-I356 HydrophobicContact CG-CG2 4.5Å; L296-L385 HydrophobicContact CB-CD2 3.76Å; L296-L385 HydrophobicContact CD1-CD2 3.87Å; L296-L385 HydrophobicContact CD2-CD2 4.03Å; L296-L385 HydrophobicContact CG-CD2 4.08Å; L296-S387 WeakPolarHBondContact CD1-OG 3.33Å
297I92.2Very high89.1Confident0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-73-28.9-172.465.8176.3000113.5R293 Q294 N299 V310 F328 N329 I356R293-I297 PolarHBondContact O-N 3.33Å; R293-I297 VanDerWaalsContact O-N 3.15Å; Q294-I297 WeakPolarHBondContact O-CG1 3.46Å; Q294-I297 PolarHBondContact O-N 3.18Å; I297-N299 VanDerWaalsContact C-N 3.31Å; I297-V310 VanDerWaalsContact CD1-O 3.3Å; I297-V310 WeakPolarHBondContact CD1-O 3.43Å; I297-V310 HydrophobicContact CG1-CG1 4.36Å; I297-V310 WeakPolarHBondContact O-CG1 3.32Å; I297-F328 HydrophobicContact CB-CD2 3.93Å; I297-F328 HydrophobicContact CB-CE2 3.59Å; I297-F328 HydrophobicContact CG2-CD2 4.46Å; I297-F328 HydrophobicContact CG2-CE2 3.63Å; I297-F328 HydrophobicContact CG2-CZ 4.32Å; I297-N329 PolarHBondContact O-N 3.06Å; I297-I356 HydrophobicContact CG2-CD1 4.27Å; I297-I356 HydrophobicContact CG2-CG1 4.11Å
298S89.9Confident88.8Confident20 Ų2037 Ų3714%0.1420%0.2CC..THydrogen-bonded Turntrans-872.2176.461.90000113.8Q294 L296 S300Q294-S298 WeakPolarHBondContact O-CB 3.27Å; Q294-S298 PolarHBondContact O-N 2.99Å; Q294-S298 PolarHBondContact O-OG 3.27Å; L296-S298 PolarHBondContact O-N 3.06Å; S298-S300 PolarHBondContact O-N 3Å; S298-S300 WeakPolarHBondContact OG-CB 3.48Å
299N89Confident88.2Confident41 Ų4144.8 Ų44.822%0.21924%0.236CC..THydrogen-bonded Turntrans50.833.5-169.2-163.420.7000113.6M295 L296 I297 N329 A391M295-N299 CarbonylContact O-C 3.58Å; M295-N299 PolarHBondContact O-N 3.35Å; L296-N299 PolarHBondContact O-N 2.8Å; I297-N299 VanDerWaalsContact C-N 3.31Å; N299-N329 HydrophobicContact CB-CB 3.98Å; N299-A391 WeakPolarHBondContact ND2-CA 3.45Å; N299-A391 PolarHBondContact ND2-O 3.48Å; N299-A391 VanDerWaalsContact OD1-CA 3.31Å; N299-A391 WeakPolarHBondContact OD1-CA 3.12Å; N299-A391 WeakPolarHBondContact OD1-CB 3.4Å
300S87.8Confident87.6Confident12 Ų1245 Ų458%0.08424%0.237CC..  trans-89.5129.5176.9-163.80000110.6M295 S298 M302 G305 I306M295-S300 VanDerWaalsContact CB-O 3.32Å; M295-S300 WeakPolarHBondContact CB-O 3.31Å; M295-S300 PolarHBondContact O-N 3.2Å; S298-S300 PolarHBondContact O-N 3Å; S298-S300 WeakPolarHBondContact OG-CB 3.48Å; S300-M302 PolarHBondContact OG-O 3.4Å; S300-G305 WeakPolarHBondContact CB-O 3.21Å; S300-G305 WeakPolarHBondContact OG-CA 3.44Å; S300-G305 PolarHBondContact OG-O 2.97Å; S300-I306 PolarHBondContact OG-N 3.42Å
301K82.4Confident86.9Confident28 Ų2842.7 Ų42.712%0.12224%0.237CC..SBendtrans-94-0.9178.3-57.5-57.6-175.5-168.40113.5I201 S266I201-K301 HydrophobicContact CG2-CB 3.42Å; I201-K301 VanDerWaalsContact CG2-CB 3.42Å; I201-K301 HydrophobicContact CG2-CG 4.04Å; S266-K301 VanDerWaalsContact CB-NZ 3.32Å; S266-K301 PolarHBondContact OG-NZ 3.09Å
302M84.3Confident86.3Confident14 Ų1441.3 Ų41.37%0.06923%0.234CC..SBendtrans-148.2146.7179.852.1169.1-79.400112.3K204 I205 Q208 L209 M295 S300 G304 G305K204-M302 HydrophobicContact CB-SD 4.02Å; I205-M302 HydrophobicContact CG1-CB 4.23Å; Q208-M302 HydrophobicContact CB-CE 4.2Å; L209-M302 HydrophobicContact CD1-CB 3.94Å; L209-M302 HydrophobicContact CD2-CE 4.33Å; M295-M302 VanDerWaalsContact CE-C 3.46Å; M295-M302 VanDerWaalsContact CE-CA 3.41Å; S300-M302 PolarHBondContact OG-O 3.4Å; M302-G304 VanDerWaalsContact C-N 3.27Å; M302-G304 PolarHBondContact O-N 3.24Å; M302-G305 PolarHBondContact O-N 3.37Å
303E79.1Confident85.4Confident54 Ų5442.7 Ų42.725%0.25224%0.242SC..G310 helixtrans-58.1-36-173.7-68-177.598.800113.5I270 H291 M295 G305 I306I270-E303 HydrophobicContact CG2-CG 4.24Å; H291-E303 IonicContact CE1-OE1 3.72Å; H291-E303 IonicContact CG-OE1 3.73Å; H291-E303 IonicContact ND1-OE1 2.77Å; H291-E303 PolarHBondContact ND1-OE1 3.24Å; M295-E303 HydrophobicContact SD-CG 4.04Å; E303-G305 PolarHBondContact O-N 3.31Å; E303-I306 HydrophobicContact CB-CD1 4.36Å; E303-I306 WeakPolarHBondContact O-CD1 3.36Å; E303-I306 VanDerWaalsContact O-CG1 3.25Å; E303-I306 WeakPolarHBondContact O-CG1 3.43Å; E303-I306 PolarHBondContact O-N 3.09Å
304G72.1Confident84.1Confident64 Ų6444.3 Ų44.366%0.6626%0.26SS*.G310 helixtrans-71.4-11178.900000115M302M302-G304 VanDerWaalsContact C-N 3.27Å; M302-G304 PolarHBondContact O-N 3.24Å
305G77.8Confident82.5Confident43 Ų4349 Ų4944%0.44330%0.301SS..G310 helixtrans-104.913.3178.400000113.4S300 M302 E303 D307S300-G305 WeakPolarHBondContact CB-O 3.21Å; S300-G305 WeakPolarHBondContact OG-CA 3.44Å; S300-G305 PolarHBondContact OG-O 2.97Å; M302-G305 PolarHBondContact O-N 3.37Å; E303-G305 PolarHBondContact O-N 3.31Å; G305-D307 PolarHBondContact O-N 2.99Å
306I83.5Confident80.5Confident21 Ų2154.3 Ų54.311%0.10834%0.339CS..  trans-71.6125.2-176.6-68171.2000109.9H291 Q294 M295 S300 E303 W308H291-I306 HydrophobicContact CB-CD1 4.33Å; Q294-I306 HydrophobicContact CB-CG2 3.86Å; Q294-I306 HydrophobicContact CG-CG2 3.21Å; M295-I306 HydrophobicContact CG-CD1 3.56Å; M295-I306 HydrophobicContact CG-CG1 3.5Å; M295-I306 HydrophobicContact SD-CD1 4.29Å; S300-I306 PolarHBondContact OG-N 3.42Å; E303-I306 HydrophobicContact CB-CD1 4.36Å; E303-I306 WeakPolarHBondContact O-CD1 3.36Å; E303-I306 VanDerWaalsContact O-CG1 3.25Å; E303-I306 WeakPolarHBondContact O-CG1 3.43Å; E303-I306 PolarHBondContact O-N 3.09Å; I306-W308 HydrophobicContact CD1-CZ2 4.01Å; I306-W308 HydrophobicContact CG2-CD2 3.82Å; I306-W308 HydrophobicContact CG2-CE3 4.43Å; I306-W308 HydrophobicContact CG2-CG 4.05Å; I306-W308 HydrophobicContact CG2-CH2 4.47Å; I306-W308 HydrophobicContact CG2-CZ2 3.91Å
307D83.6Confident78.7Confident62 Ų6256.2 Ų56.233%0.33236%0.356SS..  trans-90.6108.2164.3-171-12.3000109.6Q294 G305 Q309 V310Q294-D307 PolarHBondContact NE2-O 3.19Å; G305-D307 PolarHBondContact O-N 2.99Å; D307-Q309 VanDerWaalsContact C-N 3.27Å; D307-Q309 PolarHBondContact O-N 3.06Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.36Å; D307-Q309 PolarHBondContact OD1-N 3.18Å; D307-V310 HydrophobicContact CB-CG2 3.9Å
308W86.9Confident76.8Confident124 Ų12459.8 Ų59.847%0.4739%0.393SS..THydrogen-bonded Turntrans-77.8-8.7-179.9-68.297.5000113.9K290 H291 Q294 I306K290-W308 HydrophobicContact CG-CH2 4.48Å; K290-W308 HydrophobicContact CG-CZ3 4.39Å; H291-W308 AromaticContact CD2-CH2 3.59Å; H291-W308 AromaticContact CD2-CZ2 3.9Å; Q294-W308 HydrophobicContact CB-CE3 4.16Å; Q294-W308 HydrophobicContact CB-CH2 4.01Å; Q294-W308 HydrophobicContact CB-CZ3 3.71Å; Q294-W308 HydrophobicContact CG-CD2 4.08Å; Q294-W308 HydrophobicContact CG-CE3 3.62Å; Q294-W308 HydrophobicContact CG-CH2 4.28Å; Q294-W308 HydrophobicContact CG-CZ3 3.72Å; I306-W308 HydrophobicContact CD1-CZ2 4.01Å; I306-W308 HydrophobicContact CG2-CD2 3.82Å; I306-W308 HydrophobicContact CG2-CE3 4.43Å; I306-W308 HydrophobicContact CG2-CG 4.05Å; I306-W308 HydrophobicContact CG2-CH2 4.47Å; I306-W308 HydrophobicContact CG2-CZ2 3.91Å
309Q83.6Confident75.2Confident175 Ų17562.5 Ų62.582%0.81840%0.4SS*.THydrogen-bonded Turntrans-85-17.7177.4-57.3-175.30.400112.1D307 C311D307-Q309 VanDerWaalsContact C-N 3.27Å; D307-Q309 PolarHBondContact O-N 3.06Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.36Å; D307-Q309 PolarHBondContact OD1-N 3.18Å; Q309-C311 PolarHBondContact O-N 3.02Å
310V83.9Confident73.2Confident11 Ų1165.8 Ų65.87%0.06743%0.427CS..  trans-71123.4177.7178.70000110Q294 I297 D307 F328Q294-V310 PolarHBondContact NE2-O 2.95Å; I297-V310 VanDerWaalsContact CD1-O 3.3Å; I297-V310 WeakPolarHBondContact CD1-O 3.43Å; I297-V310 HydrophobicContact CG1-CG1 4.36Å; I297-V310 WeakPolarHBondContact O-CG1 3.32Å; D307-V310 HydrophobicContact CB-CG2 3.9Å; V310-F328 HydrophobicContact CG1-CB 4.4Å; V310-F328 HydrophobicContact CG1-CD2 4.06Å
311C82.3Confident71.5Confident88 Ų8875.7 Ų75.760%0.59546%0.462SS*.  trans-126.6153.8176.1-71.10000110.1Q309Q309-C311 PolarHBondContact O-N 3.02Å
312P80.5Confident69.8Low29 Ų2977.5 Ų77.519%0.18848%0.478CS..PPolyproline II helixtrans-56.4136.4170.5-20.631.8000111.6F328 A355 I356P312-F328 HydrophobicContact CB-CE2 3.78Å; P312-F328 HydrophobicContact CB-CZ 3.8Å; P312-F328 HydrophobicContact CG-CE2 3.87Å; P312-F328 HydrophobicContact CG-CZ 4.22Å; P312-A355 HydrophobicContact CB-CB 3.55Å; P312-I356 HydrophobicContact CG-CG1 4.45Å
313P77.8Confident68.2Low28 Ų2881.6 Ų81.618%0.18250%0.5CS..PPolyproline II helixtrans-65.7140.8179.527-33.4000109.8R319 F328P313-R319 HydrophobicContact CG-CG 4.36Å; P313-F328 HydrophobicContact CG-CD1 4.17Å; P313-F328 HydrophobicContact CG-CE1 4.3Å
314P68.6Low66.6Low87 Ų8782.1 Ų82.157%0.56551%0.509SS*.PPolyproline II helixtrans-63.1143.8177.625.3-31.6000110.2S316 A317P314-S316 PolarHBondContact O-N 3.27Å; P314-A317 HydrophobicContact CG-CB 3.88Å; P314-A317 PolarHBondContact O-N 3.35Å
315A59.8Low65.2Low116 Ų11683.3 Ų83.396%0.95951%0.513SS*.THydrogen-bonded Turntrans-55.5-17.8-175.100000115
316S52.6Low64Low116 Ų11683.7 Ų83.781%0.81152%0.517SS*.THydrogen-bonded Turntrans-98.9-5-178.862.50000115.1P314P314-S316 PolarHBondContact O-N 3.27Å
317A55.5Low63.6Low47 Ų4784.7 Ų84.739%0.38853%0.526SS..SBendtrans-91.1117.3179.800000110.3P314 R319P314-A317 HydrophobicContact CG-CB 3.88Å; P314-A317 PolarHBondContact O-N 3.35Å; A317-R319 PolarHBondContact O-N 3.41Å; A317-R319 VanDerWaalsContact O-N 3.1Å
318G51.8Low63.7Low76 Ų7683 Ų8378%0.78452%0.516SS*.  trans-54117.7167.200000109.6S320G318-S320 PolarHBondContact O-N 2.87Å
319R55.8Low63.9Low76 Ų7677.4 Ų77.429%0.28750%0.495SS..  trans-72.6113.7-174-65.1179.4-179.2-165.5-4.3108.7P313 A317 A355 Q444P313-R319 HydrophobicContact CG-CG 4.36Å; A317-R319 PolarHBondContact O-N 3.41Å; A317-R319 VanDerWaalsContact O-N 3.1Å; R319-A355 PolarHBondContact NH2-O 2.91Å; R319-Q444 VanDerWaalsContact CD-OXT 3.25Å; R319-Q444 WeakPolarHBondContact CD-OXT 3.36Å; R319-Q444 PolarHBondContact NE-OXT 3.47Å; R319-Q444 PolarHBondContact NH1-OXT 3.44Å
320S47.4Very low64.3Low111 Ų11169.4 Ų69.478%0.77646%0.458SS*.  trans-77.1140.9-177.7-178.90000111.9G318 S322G318-S320 PolarHBondContact O-N 2.87Å; S320-S322 PolarHBondContact O-N 3.26Å
321R51.9Low64.8Low219 Ų21968.9 Ų68.983%0.82646%0.455SS*.  trans-69.225.4-173.9-68.8177.8161.6174.3-8.3115.9L323R321-L323 PolarHBondContact O-N 3.31Å
322S46.9Very low65.4Low67 Ų6764.7 Ų64.747%0.46943%0.427SS..  trans-85.5116.6-173.2-175.70000112.6S320 S324S320-S322 PolarHBondContact O-N 3.26Å; S322-S324 PolarHBondContact O-N 3.44Å; S322-S324 VanDerWaalsContact O-N 3.15Å; S322-S324 PolarHBondContact OG-N 2.66Å; S322-S324 PolarHBondContact OG-OG 2.93Å; S322-S324 VanDerWaalsContact OG-OG 3.12Å
323L50.6Low66.1Low100 Ų10063.4 Ų63.452%0.52442%0.418SS..  trans-74.512.5174.5-75.1158.2000114.2R321 L393 R394R321-L323 PolarHBondContact O-N 3.31Å; L323-L393 HydrophobicContact CD2-CD2 3.69Å; L323-L393 HydrophobicContact CD2-CG 4.33Å; L323-R394 PolarHBondContact O-NE 3.42Å; L323-R394 PolarHBondContact O-NH2 2.95Å
324S46.1Very low67Low64 Ų6462 Ų6245%0.44841%0.409SS..  trans-68.5142.4-172.259.50000113.8S322 G326 S327 R394S322-S324 PolarHBondContact O-N 3.44Å; S322-S324 VanDerWaalsContact O-N 3.15Å; S322-S324 PolarHBondContact OG-N 2.66Å; S322-S324 PolarHBondContact OG-OG 2.93Å; S322-S324 VanDerWaalsContact OG-OG 3.12Å; S324-G326 PolarHBondContact O-N 3.06Å; S324-S327 WeakPolarHBondContact O-CB 3.12Å; S324-S327 PolarHBondContact O-N 3.32Å; S324-S327 PolarHBondContact O-OG 3.25Å; S324-R394 PolarHBondContact O-NH2 2.76Å
325A41.6Very low68.4Low89 Ų8957.9 Ų57.974%0.73638%0.383SS*.THydrogen-bonded Turntrans-53.2123.116900000109.8
326G54Low70.2Confident51 Ų5152.4 Ų52.453%0.52634%0.337SS..THydrogen-bonded Turntrans107.6-0.9-17000000114.9S324S324-G326 PolarHBondContact O-N 3.06Å
327S73.9Confident72.3Confident42 Ų4246.9 Ų46.929%0.29430%0.298SS..  trans-73.2144171.569.30000112.1S324 R394S324-S327 WeakPolarHBondContact O-CB 3.12Å; S324-S327 PolarHBondContact O-N 3.32Å; S324-S327 PolarHBondContact O-OG 3.25Å; S327-R394 PolarHBondContact OG-NH2 3.12Å
328F86.8Confident74.3Confident28 Ų2844.7 Ų44.712%0.12328%0.28CS..  trans-56.6140.9169-179.2-106.6000111.6I297 V310 P312 P313 A355 I356I297-F328 HydrophobicContact CB-CD2 3.93Å; I297-F328 HydrophobicContact CB-CE2 3.59Å; I297-F328 HydrophobicContact CG2-CD2 4.46Å; I297-F328 HydrophobicContact CG2-CE2 3.63Å; I297-F328 HydrophobicContact CG2-CZ 4.32Å; V310-F328 HydrophobicContact CG1-CB 4.4Å; V310-F328 HydrophobicContact CG1-CD2 4.06Å; P312-F328 HydrophobicContact CB-CE2 3.78Å; P312-F328 HydrophobicContact CB-CZ 3.8Å; P312-F328 HydrophobicContact CG-CE2 3.87Å; P312-F328 HydrophobicContact CG-CZ 4.22Å; P313-F328 HydrophobicContact CG-CD1 4.17Å; P313-F328 HydrophobicContact CG-CE1 4.3Å; F328-A355 VanDerWaalsContact CE1-O 3.27Å; F328-A355 WeakPolarHBondContact CE1-O 3.38Å; F328-A355 WeakPolarHBondContact CZ-O 3.28Å; F328-I356 HydrophobicContact CZ-CG1 4.42Å
329N90.5Very high76.5Confident5 Ų541.1 Ų41.13%0.02724%0.243CC..  trans-91.9103.4174.4179.235.8000110.3L296 I297 N299 S389 Q390 A391L296-N329 WeakPolarHBondContact O-CB 3.46Å; L296-N329 PolarHBondContact O-ND2 2.99Å; I297-N329 PolarHBondContact O-N 3.06Å; N299-N329 HydrophobicContact CB-CB 3.98Å; N329-S389 PolarHBondContact ND2-OG 3.41Å; N329-S389 WeakPolarHBondContact OD1-CB 3.44Å; N329-S389 PolarHBondContact OD1-OG 2.84Å; N329-Q390 PolarHBondContact OD1-N 3.07Å; N329-A391 PolarHBondContact OD1-N 3.44Å
330T92.5Very high78.3Confident8 Ų837.5 Ų37.55%0.04923%0.23CC..  trans-74.9126.9173.5-50.50000109.9S389 Q390 L443T330-S389 WeakPolarHBondContact O-CB 3.46Å; T330-Q390 PolarHBondContact O-N 3.3Å; T330-Q390 VanDerWaalsContact O-N 3.15Å; T330-Q390 PolarHBondContact OG1-OE1 2.78Å; T330-L443 HydrophobicContact CG2-CB 4.42Å
331S93.8Very high80.6Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-94.2142.4173.3-77.40000111.3N334 I356 Y357 T358 S389S331-N334 WeakPolarHBondContact CB-ND2 3.39Å; S331-N334 PolarHBondContact OG-ND2 3.21Å; S331-N334 PolarHBondContact OG-OD1 2.97Å; S331-I356 PolarHBondContact N-O 2.87Å; S331-Y357 CarbonylContact O-C 3.42Å; S331-Y357 WeakPolarHBondContact O-CA 3.41Å; S331-T358 PolarHBondContact O-N 3.4Å; S331-S389 WeakPolarHBondContact OG-CB 3.2Å
332L94.7Very high82.6Confident0 Ų031.5 Ų31.50%020%0.2CC..EExtended strand (participates in β ladder)trans-77.4-58.3160.7171.454.7000109.4Y262 T358 W360 L361 N388 L443Y262-L332 VanDerWaalsContact CB-CD2 3.47Å; Y262-L332 HydrophobicContact CD1-CD2 4.37Å; Y262-L332 HydrophobicContact CD2-CD2 3.87Å; Y262-L332 HydrophobicContact CG-CD2 3.66Å; L332-T358 HydrophobicContact CD1-CG2 3.62Å; L332-W360 HydrophobicContact CD1-CH2 3.17Å; L332-W360 HydrophobicContact CD1-CZ2 3.3Å; L332-W360 HydrophobicContact CD1-CZ3 3.87Å; L332-W360 HydrophobicContact CD2-CH2 4.1Å; L332-W360 HydrophobicContact CD2-CZ2 4.34Å; L332-W360 HydrophobicContact CG-CH2 4.27Å; L332-W360 HydrophobicContact CG-CZ2 4.43Å; L332-L361 HydrophobicContact CD1-CB 4.36Å; L332-L361 HydrophobicContact CD1-CD2 4.03Å; L332-L361 WeakPolarHBondContact O-CD2 3.47Å; L332-N388 HydrophobicContact CB-CB 4.42Å; L332-N388 WeakPolarHBondContact CB-O 3.33Å; L332-N388 PolarHBondContact N-O 3.44Å; L332-L443 HydrophobicContact CB-CD1 4.47Å; L332-L443 HydrophobicContact CB-CD2 4.23Å
333A95.9Very high84.9Confident1 Ų128.4 Ų28.41%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-147.6149-178.700000111A255 L256 L361 A366 N388A255-A333 WeakPolarHBondContact O-CB 3.35Å; L256-A333 HydrophobicContact CD2-CB 4.4Å; A333-L361 HydrophobicContact CB-CD2 4.34Å; A333-A366 CarbonylContact C-O 3.59Å; A333-A366 VanDerWaalsContact CA-O 3.28Å; A333-A366 WeakPolarHBondContact CA-O 3.46Å; A333-N388 PolarHBondContact N-O 3.35Å; A333-N388 PolarHBondContact O-N 3.43Å
334N96.9Very high87Confident0 Ų030.7 Ų30.70%018%0.18CC..EExtended strand (participates in β ladder)trans-131.1138.4-177.7-69.2-40.3000110.6L296 S331 Y357 A366 L367 S368 L385 S387L296-N334 WeakPolarHBondContact CD2-ND2 3.18Å; S331-N334 WeakPolarHBondContact CB-ND2 3.39Å; S331-N334 PolarHBondContact OG-ND2 3.21Å; S331-N334 PolarHBondContact OG-OD1 2.97Å; N334-Y357 HydrophobicContact CB-CE1 4.05Å; N334-Y357 WeakPolarHBondContact ND2-CE1 3.31Å; N334-Y357 PolarHBondContact ND2-OH 3.06Å; N334-A366 PolarHBondContact N-O 3.4Å; N334-L367 HydrophobicContact CB-CD1 4.16Å; N334-L367 WeakPolarHBondContact O-CA 3.36Å; N334-S368 PolarHBondContact O-N 2.86Å; N334-L385 HydrophobicContact CB-CD1 4.19Å; N334-S387 WeakPolarHBondContact OD1-CB 3.44Å; N334-S387 PolarHBondContact OD1-OG 3.25Å
335L97.3Very high89.3Confident0 Ų031.5 Ų31.50%019%0.186CC..EExtended strand (participates in β ladder)trans-117.7111.3172.9171.159.5000108.8L252 L256 I337 S368 W370 L385 V386L252-L335 HydrophobicContact CD1-CD2 4.16Å; L252-L335 HydrophobicContact CG-CD2 4.13Å; L256-L335 HydrophobicContact CD1-CB 3.99Å; L256-L335 HydrophobicContact CD1-CD2 4.25Å; L256-L335 HydrophobicContact CD2-CB 3.74Å; L256-L335 HydrophobicContact CG-CB 3.97Å; L335-I337 HydrophobicContact CD1-CG1 4.32Å; L335-I337 HydrophobicContact CD2-CD1 4.17Å; L335-I337 HydrophobicContact CD2-CG1 4.36Å; L335-I337 HydrophobicContact CG-CD1 4.31Å; L335-I337 HydrophobicContact CG-CG1 3.99Å; L335-S368 WeakPolarHBondContact CA-O 3.28Å; L335-W370 HydrophobicContact CD1-CB 4.44Å; L335-W370 HydrophobicContact CD1-CD2 3.52Å; L335-W370 VanDerWaalsContact CD1-CE2 3.5Å; L335-W370 HydrophobicContact CD1-CE3 4.11Å; L335-W370 HydrophobicContact CD1-CG 3.66Å; L335-W370 HydrophobicContact CD1-CZ2 4.09Å; L335-W370 HydrophobicContact CD2-CD2 4.16Å; L335-W370 HydrophobicContact CD2-CE3 3.96Å; L335-W370 HydrophobicContact CD2-CH2 3.77Å; L335-W370 HydrophobicContact CD2-CZ2 3.91Å; L335-W370 HydrophobicContact CD2-CZ3 3.78Å; L335-W370 HydrophobicContact CG-CD2 4.37Å; L335-W370 HydrophobicContact CG-CE3 4.5Å; L335-L385 WeakPolarHBondContact O-CA 3.22Å; L335-V386 HydrophobicContact CB-CB 4.36Å; L335-V386 PolarHBondContact N-O 3.35Å; L335-V386 PolarHBondContact O-N 3.33Å
336L97.6Very high91.9Very high1 Ų127.6 Ų27.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-97.9118.1177.4-178.260.2000110.1L289 L292 L338 T348 F351 L367 S368 L369 W370 L385L289-L336 HydrophobicContact CD2-CD2 4.3Å; L292-L336 HydrophobicContact CD2-CD1 3.6Å; L336-L338 HydrophobicContact CD1-CD2 3.75Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CD2-CG 4.48Å; L336-L338 HydrophobicContact CG-CD2 3.73Å; L336-L338 HydrophobicContact CG-CG 4.16Å; L336-T348 HydrophobicContact CD2-CG2 3.71Å; L336-F351 HydrophobicContact CD2-CD2 3.87Å; L336-F351 HydrophobicContact CD2-CE2 3.94Å; L336-F351 HydrophobicContact CD2-CG 4.29Å; L336-F351 HydrophobicContact CD2-CZ 4.4Å; L336-L367 HydrophobicContact CB-CD1 4.41Å; L336-S368 PolarHBondContact N-O 3.37Å; L336-L369 HydrophobicContact CB-CD1 4.18Å; L336-L369 HydrophobicContact CD2-CD1 4.08Å; L336-L369 HydrophobicContact CG-CD1 4.07Å; L336-L369 WeakPolarHBondContact O-CA 3.47Å; L336-W370 PolarHBondContact O-N 3.1Å; L336-L385 HydrophobicContact CB-CD1 4.26Å; L336-L385 HydrophobicContact CD1-CD1 4.24Å
337I97.6Very high93.8Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-111.2113180-53.6174.3000108.8V231 T235 L335 R339 W370 A383 T384V231-I337 HydrophobicContact CB-CD1 4.45Å; V231-I337 HydrophobicContact CG1-CD1 4.4Å; T235-I337 HydrophobicContact CG2-CG2 3.64Å; L335-I337 HydrophobicContact CD1-CG1 4.32Å; L335-I337 HydrophobicContact CD2-CD1 4.17Å; L335-I337 HydrophobicContact CD2-CG1 4.36Å; L335-I337 HydrophobicContact CG-CD1 4.31Å; L335-I337 HydrophobicContact CG-CG1 3.99Å; I337-R339 HydrophobicContact CG2-CG 4.16Å; I337-W370 CarbonylContact C-O 3.6Å; I337-W370 WeakPolarHBondContact CA-O 3.46Å; I337-W370 HydrophobicContact CD1-CE3 3.97Å; I337-W370 HydrophobicContact CD1-CZ3 4.41Å; I337-W370 HydrophobicContact CG1-CB 4.22Å; I337-W370 HydrophobicContact CG1-CE3 4.06Å; I337-W370 HydrophobicContact CG2-CB 4.49Å; I337-A383 CarbonylContact O-C 3.53Å; I337-A383 WeakPolarHBondContact O-CA 3.43Å; I337-T384 PolarHBondContact N-O 2.89Å; I337-T384 PolarHBondContact O-N 3.4Å
338L97.8Very high94.8Very high0 Ų031.7 Ų31.70%016%0.155CC..EExtended strand (participates in β ladder)trans-106.3134.6-179.8-52.8-175.4000110.9W285 L289 L336 V343 A346 T348 L369 W370 K371 S372 A383W285-L338 HydrophobicContact CH2-CB 4.03Å; W285-L338 HydrophobicContact CZ3-CB 4.26Å; W285-L338 HydrophobicContact CZ3-CD2 4.03Å; L289-L338 HydrophobicContact CD2-CD2 3.75Å; L336-L338 HydrophobicContact CD1-CD2 3.75Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CD2-CG 4.48Å; L336-L338 HydrophobicContact CG-CD2 3.73Å; L336-L338 HydrophobicContact CG-CG 4.16Å; L338-V343 HydrophobicContact CB-CG2 3.49Å; L338-V343 VanDerWaalsContact CB-CG2 3.49Å; L338-A346 HydrophobicContact CD1-CB 3.61Å; L338-T348 HydrophobicContact CD1-CG2 3.91Å; L338-L369 HydrophobicContact CD1-CD1 3.95Å; L338-L369 HydrophobicContact CG-CD1 4.03Å; L338-W370 PolarHBondContact N-O 3.11Å; L338-K371 HydrophobicContact CB-CG 4.46Å; L338-K371 CarbonylContact O-C 3.52Å; L338-K371 WeakPolarHBondContact O-CA 3.31Å; L338-S372 PolarHBondContact O-N 2.86Å; L338-A383 HydrophobicContact CD2-CB 3.62Å
339R96.4Very high95Very high1 Ų132.4 Ų32.40%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-135.1136.2-174.9-54.6-176.469.31160.7112.1D26 Y35 Q233 W285 I337 S372 K381 S382D26-R339 IonicContact OD2-NH2 3.77Å; Y35-R339 PolarHBondContact OH-NH2 3.2Å; Q233-R339 VanDerWaalsContact CB-NH1 3.26Å; Q233-R339 PolarHBondContact O-NH1 3.04Å; W285-R339 WeakPolarHBondContact CH2-O 3.38Å; I337-R339 HydrophobicContact CG2-CG 4.16Å; R339-S372 CarbonylContact C-O 3.4Å; R339-S372 WeakPolarHBondContact CA-O 3.32Å; R339-K381 CarbonylContact O-C 3.6Å; R339-K381 WeakPolarHBondContact O-CA 3.43Å; R339-S382 PolarHBondContact N-O 3.07Å; R339-S382 PolarHBondContact O-N 3.36Å
340G95.3Very high95Very high1 Ų134 Ų341%0.0119%0.188CC..EExtended strand (participates in β ladder)trans111.6-154169.600000115.6V343 S372 E380G340-V343 WeakPolarHBondContact O-CB 3.37Å; G340-S372 PolarHBondContact N-O 2.79Å; G340-E380 CarbonylContact C-O 3.48Å; G340-E380 VanDerWaalsContact CA-O 3.25Å; G340-E380 WeakPolarHBondContact CA-O 3.38Å
341K94.8Very high95Very high122 Ų12233.7 Ų33.753%0.5319%0.186SC..THydrogen-bonded Turntrans-65.7140.9-169.7-165.8-173.6170.9179.30111.6W285 V343 E380 K381W285-K341 PolarHBondContact NE1-O 2.79Å; K341-V343 PolarHBondContact O-N 3.33Å; K341-V343 VanDerWaalsContact O-N 3.11Å; K341-E380 PolarHBondContact N-O 2.7Å; K341-K381 HydrophobicContact CB-CG 4.5Å; K341-K381 VanDerWaalsContact O-CE 3.24Å; K341-K381 WeakPolarHBondContact O-CE 3.46Å
342D94.8Very high95Very high82 Ų8239 Ų3944%0.43921%0.211SC..THydrogen-bonded Turntrans54.928.3176.8-45.5-42.7000113.5W285 Y344 S345 K381W285-D342 PolarHBondContact NE1-O 3.5Å; W285-D342 VanDerWaalsContact NE1-O 3.12Å; D342-Y344 PolarHBondContact O-N 3.08Å; D342-Y344 VanDerWaalsContact O-N 3.1Å; D342-S345 PolarHBondContact O-N 3.32Å; D342-S345 PolarHBondContact O-OG 2.78Å; D342-K381 IonicContact OD2-NZ 3.79Å
343V95.1Very high94.8Very high1 Ų141.4 Ų41.41%0.00622%0.224CC..G310 helixtrans-58-28.3-174.770.30000113.5W285 L338 G340 K341 S345 A346 K371 P373W285-V343 HydrophobicContact CH2-CG2 4.5Å; W285-V343 HydrophobicContact CZ2-CB 4.17Å; W285-V343 HydrophobicContact CZ2-CG2 4.13Å; L338-V343 HydrophobicContact CB-CG2 3.49Å; L338-V343 VanDerWaalsContact CB-CG2 3.49Å; G340-V343 WeakPolarHBondContact O-CB 3.37Å; K341-V343 PolarHBondContact O-N 3.33Å; K341-V343 VanDerWaalsContact O-N 3.11Å; V343-S345 VanDerWaalsContact C-N 3.31Å; V343-S345 PolarHBondContact O-N 2.85Å; V343-A346 WeakPolarHBondContact O-CB 3.46Å; V343-A346 PolarHBondContact O-N 2.91Å; V343-K371 HydrophobicContact CG1-CB 4.39Å; V343-K371 HydrophobicContact CG2-CB 3.9Å; V343-K371 HydrophobicContact CG2-CD 4.22Å; V343-K371 HydrophobicContact CG2-CG 4.01Å; V343-P373 HydrophobicContact CG1-CB 4.47Å
344Y93.9Very high94.5Very high148 Ų14845.1 Ų45.158%0.5825%0.248SC*.G310 helixtrans-74.7-21.1178.9-57.8-68000113.2L236 D342 A346 K371L236-Y344 WeakPolarHBondContact CD1-OH 3.5Å; D342-Y344 PolarHBondContact O-N 3.08Å; D342-Y344 VanDerWaalsContact O-N 3.1Å; Y344-A346 VanDerWaalsContact C-N 3.29Å; Y344-K371 HydrophobicContact CD1-CD 4.17Å
345S94.2Very high94.1Very high82 Ų8246 Ų4657%0.57326%0.256SS*.G310 helixtrans-87.93.7175.482.30000113.1D342 V343 E347D342-S345 PolarHBondContact O-N 3.32Å; D342-S345 PolarHBondContact O-OG 2.78Å; V343-S345 VanDerWaalsContact C-N 3.31Å; V343-S345 PolarHBondContact O-N 2.85Å; S345-E347 PolarHBondContact O-N 2.87Å
346A95.5Very high93.8Very high6 Ų646 Ų465%0.0526%0.256CS..  trans-74.5120.1179.500000110.5W285 L289 L338 V343 Y344W285-A346 HydrophobicContact CB-CB 4.07Å; W285-A346 HydrophobicContact CD2-CB 3.78Å; W285-A346 HydrophobicContact CE3-CB 4.25Å; W285-A346 HydrophobicContact CG-CB 3.68Å; L289-A346 HydrophobicContact CD1-CB 4.19Å; L338-A346 HydrophobicContact CD1-CB 3.61Å; V343-A346 WeakPolarHBondContact O-CB 3.46Å; V343-A346 PolarHBondContact O-N 2.91Å; Y344-A346 VanDerWaalsContact C-N 3.29Å
347E94.3Very high93.6Very high164 Ų16446.2 Ų46.277%0.76626%0.256SS*.  trans-85.2115178.7-66.5176.9-175.800110.8L289 S345L289-E347 WeakPolarHBondContact CD1-O 3.49Å; S345-E347 PolarHBondContact O-N 2.87Å
348T94.3Very high93.3Very high15 Ų1546.3 Ų46.39%0.09226%0.257CS..  trans-106.70.6-17452.40000114.4L289 L336 L338 G350 F351 L369L289-T348 HydrophobicContact CD1-CG2 4.3Å; L336-T348 HydrophobicContact CD2-CG2 3.71Å; L338-T348 HydrophobicContact CD1-CG2 3.91Å; T348-G350 PolarHBondContact O-N 3.28Å; T348-F351 WeakPolarHBondContact O-CB 3.43Å; T348-F351 PolarHBondContact O-N 2.79Å; T348-L369 HydrophobicContact CG2-CD1 3.95Å; T348-L369 HydrophobicContact CG2-CD2 4Å
349G91.3Very high92.7Very high43 Ų4351.2 Ų51.244%0.44329%0.291SS..G310 helixtrans-57-23.3-174.500000114.9F351 E352G349-F351 PolarHBondContact O-N 2.98Å; G349-E352 PolarHBondContact O-N 3.34Å; G349-E352 VanDerWaalsContact O-N 3.1Å
350G90.5Very high92.2Very high38 Ų3856.9 Ų56.939%0.39231%0.313SS..G310 helixtrans-61.7-24.5172.700000114.2R293 T348R293-G350 VanDerWaalsContact CD-O 3.24Å; R293-G350 WeakPolarHBondContact CD-O 3.43Å; R293-G350 PolarHBondContact NE-O 3.15Å; T348-G350 PolarHBondContact O-N 3.28Å
351F93.9Very high91.8Very high3 Ų357.5 Ų57.51%0.01332%0.316CS..G310 helixtrans-88.3-9.3177-66.2-91.6000113.1L289 L292 R293 L296 L336 T348 G349 D353 Y357 L367 L385L289-F351 HydrophobicContact CB-CE2 4.18Å; L289-F351 HydrophobicContact CD2-CE2 4.11Å; L292-F351 HydrophobicContact CB-CZ 4.09Å; L292-F351 HydrophobicContact CD2-CZ 4.28Å; L292-F351 HydrophobicContact CG-CE1 4.41Å; L292-F351 HydrophobicContact CG-CZ 4.07Å; R293-F351 HydrophobicContact CB-CE1 3.94Å; R293-F351 HydrophobicContact CB-CE2 4.17Å; R293-F351 HydrophobicContact CB-CZ 3.73Å; R293-F351 HydrophobicContact CG-CE1 4.44Å; L296-F351 HydrophobicContact CD2-CD1 4.06Å; L296-F351 HydrophobicContact CD2-CE1 4.27Å; L336-F351 HydrophobicContact CD2-CD2 3.87Å; L336-F351 HydrophobicContact CD2-CE2 3.94Å; L336-F351 HydrophobicContact CD2-CG 4.29Å; L336-F351 HydrophobicContact CD2-CZ 4.4Å; T348-F351 WeakPolarHBondContact O-CB 3.43Å; T348-F351 PolarHBondContact O-N 2.79Å; G349-F351 PolarHBondContact O-N 2.98Å; F351-D353 VanDerWaalsContact C-N 3.29Å; F351-Y357 WeakPolarHBondContact O-CE2 3.39Å; F351-Y357 PolarHBondContact O-OH 3.07Å; F351-L367 HydrophobicContact CB-CD1 4.09Å; F351-L367 HydrophobicContact CB-CD2 3.75Å; F351-L385 HydrophobicContact CE1-CD1 4.49Å; F351-L385 HydrophobicContact CE1-CD2 4.41Å
352E92.6Very high91.4Very high110 Ų11054.5 Ų54.551%0.51431%0.308SS..  trans-86.8-2.8-179.1-66.1165.2-163.900112.2G349 P354 L367G349-E352 PolarHBondContact O-N 3.34Å; G349-E352 VanDerWaalsContact O-N 3.1Å; E352-P354 WeakPolarHBondContact O-CD 3.44Å; E352-P354 VanDerWaalsContact O-N 3.14Å; E352-L367 HydrophobicContact CG-CD2 3.64Å
353D91.1Very high90.8Very high51 Ų5153 Ų5327%0.27330%0.304SS..  trans-58.3112177.4-179.6-3.6000111R293 F351 A355 I356 Y357R293-D353 IonicContact NH2-OD2 3.28Å; R293-D353 PolarHBondContact NH2-OD2 2.89Å; F351-D353 VanDerWaalsContact C-N 3.29Å; D353-A355 PolarHBondContact O-N 3.46Å; D353-A355 WeakPolarHBondContact OD1-CB 3.47Å; D353-A355 PolarHBondContact OD1-N 2.85Å; D353-I356 HydrophobicContact CB-CD1 3.9Å; D353-I356 HydrophobicContact CB-CG1 4.07Å; D353-I356 WeakPolarHBondContact O-CB 3.49Å; D353-I356 PolarHBondContact O-N 2.8Å; D353-Y357 WeakPolarHBondContact O-CD2 3.46Å
354P89.5Confident90.3Very high79 Ų7960.2 Ų60.251%0.51334%0.342SS..G310 helixtrans-59.1-24-177.3-2636.4000113.4E352 I356 Y357 P363E352-P354 WeakPolarHBondContact O-CD 3.44Å; E352-P354 VanDerWaalsContact O-N 3.14Å; P354-I356 PolarHBondContact O-N 2.7Å; P354-Y357 PolarHBondContact O-N 2.85Å; P354-Y357 VanDerWaalsContact O-N 3.07Å; P354-P363 HydrophobicContact CB-CG 3.88Å; P354-P363 HydrophobicContact CG-CB 4.28Å; P354-P363 HydrophobicContact CG-CG 3.87Å
355A89.2Confident90Very high20 Ų2059.1 Ų59.117%0.16534%0.342CS..G310 helixtrans-67.8-18.8179.600000113.3P312 R319 F328 D353 Y357P312-A355 HydrophobicContact CB-CB 3.55Å; R319-A355 PolarHBondContact NH2-O 2.91Å; F328-A355 VanDerWaalsContact CE1-O 3.27Å; F328-A355 WeakPolarHBondContact CE1-O 3.38Å; F328-A355 WeakPolarHBondContact CZ-O 3.28Å; D353-A355 PolarHBondContact O-N 3.46Å; D353-A355 WeakPolarHBondContact OD1-CB 3.47Å; D353-A355 PolarHBondContact OD1-N 2.85Å; A355-Y357 VanDerWaalsContact C-N 3.28Å
356I91.2Very high89.9Confident0 Ų055.2 Ų55.20%032%0.315CS..G310 helixtrans-68.1-30.8172.1-60.2176.6000111.8L296 I297 P312 F328 S331 D353 P354L296-I356 HydrophobicContact CD2-CG2 3.92Å; L296-I356 HydrophobicContact CG-CG2 4.5Å; I297-I356 HydrophobicContact CG2-CD1 4.27Å; I297-I356 HydrophobicContact CG2-CG1 4.11Å; P312-I356 HydrophobicContact CG-CG1 4.45Å; F328-I356 HydrophobicContact CZ-CG1 4.42Å; S331-I356 PolarHBondContact N-O 2.87Å; D353-I356 HydrophobicContact CB-CD1 3.9Å; D353-I356 HydrophobicContact CB-CG1 4.07Å; D353-I356 WeakPolarHBondContact O-CB 3.49Å; D353-I356 PolarHBondContact O-N 2.8Å; P354-I356 PolarHBondContact O-N 2.7Å
357Y92.4Very high89.9Confident4 Ų456.2 Ų56.22%0.01632%0.319CS..BIsolated β-bridgetrans-100.6167.5-170.5-56.8-78.8000112S331 N334 F351 D353 P354 A355 A366S331-Y357 CarbonylContact O-C 3.42Å; S331-Y357 WeakPolarHBondContact O-CA 3.41Å; N334-Y357 HydrophobicContact CB-CE1 4.05Å; N334-Y357 WeakPolarHBondContact ND2-CE1 3.31Å; N334-Y357 PolarHBondContact ND2-OH 3.06Å; F351-Y357 WeakPolarHBondContact O-CE2 3.39Å; F351-Y357 PolarHBondContact O-OH 3.07Å; D353-Y357 WeakPolarHBondContact O-CD2 3.46Å; P354-Y357 PolarHBondContact O-N 2.85Å; P354-Y357 VanDerWaalsContact O-N 3.07Å; A355-Y357 VanDerWaalsContact C-N 3.28Å; Y357-A366 HydrophobicContact CD1-CB 3.4Å; Y357-A366 VanDerWaalsContact CD1-CB 3.4Å; Y357-A366 HydrophobicContact CD2-CB 4.17Å; Y357-A366 HydrophobicContact CE1-CB 3.79Å; Y357-A366 WeakPolarHBondContact CE1-O 3.19Å; Y357-A366 HydrophobicContact CG-CB 3.6Å
358T90.6Very high90Very high3 Ų349.8 Ų49.82%0.01829%0.292CS..  trans-70149.7167.6-168.50000111S331 L332 W360 L361 Q444S331-T358 PolarHBondContact O-N 3.4Å; L332-T358 HydrophobicContact CD1-CG2 3.62Å; T358-W360 VanDerWaalsContact C-N 3.3Å; T358-W360 HydrophobicContact CG2-CD2 3.88Å; T358-W360 HydrophobicContact CG2-CG 4.12Å; T358-W360 HydrophobicContact CG2-CZ2 4.04Å; T358-W360 PolarHBondContact O-N 3.2Å; T358-W360 PolarHBondContact OG1-NE1 2.96Å; T358-L361 HydrophobicContact CG2-CB 4.07Å; T358-Q444 CarbonylContact C-O 3.58Å; T358-Q444 WeakPolarHBondContact CA-O 3.3Å; T358-Q444 WeakPolarHBondContact CB-O 3.23Å; T358-Q444 PolarHBondContact OG1-O 2.85Å
359S85Confident90Very high102 Ų10251 Ų5171%0.71330%0.298SS*.THydrogen-bonded Turntrans-68.9-21.7-174.353.50000115.3Q444S359-Q444 PolarHBondContact N-O 3.39Å; S359-Q444 PolarHBondContact OG-O 2.89Å
360W86.2Confident90.2Very high121 Ų12149.3 Ų49.346%0.45828%0.278SS..THydrogen-bonded Turntrans-92.6-15.1-173.457.2-99.2000114.4H259 Y262 L332 T358 L443H259-W360 HydrophobicContact CB-CH2 4.29Å; Y262-W360 HydrophobicContact CD2-CZ2 4.5Å; Y262-W360 HydrophobicContact CE2-CZ2 4.05Å; L332-W360 HydrophobicContact CD1-CH2 3.17Å; L332-W360 HydrophobicContact CD1-CZ2 3.3Å; L332-W360 HydrophobicContact CD1-CZ3 3.87Å; L332-W360 HydrophobicContact CD2-CH2 4.1Å; L332-W360 HydrophobicContact CD2-CZ2 4.34Å; L332-W360 HydrophobicContact CG-CH2 4.27Å; L332-W360 HydrophobicContact CG-CZ2 4.43Å; T358-W360 VanDerWaalsContact C-N 3.3Å; T358-W360 HydrophobicContact CG2-CD2 3.88Å; T358-W360 HydrophobicContact CG2-CG 4.12Å; T358-W360 HydrophobicContact CG2-CZ2 4.04Å; T358-W360 PolarHBondContact O-N 3.2Å; T358-W360 PolarHBondContact OG1-NE1 2.96Å; W360-L443 HydrophobicContact CZ2-CD2 4.29Å
361L87.5Confident90.5Very high14 Ų1449.3 Ų49.37%0.07327%0.267CS..SBendtrans-97.2128.4173.6-169.969000109.1L332 A333 T358 E365 A366L332-L361 HydrophobicContact CD1-CB 4.36Å; L332-L361 HydrophobicContact CD1-CD2 4.03Å; L332-L361 WeakPolarHBondContact O-CD2 3.47Å; A333-L361 HydrophobicContact CB-CD2 4.34Å; T358-L361 HydrophobicContact CG2-CB 4.07Å; L361-E365 HydrophobicContact CD1-CB 4.21Å; L361-E365 HydrophobicContact CG-CB 4.32Å; L361-A366 HydrophobicContact CD2-CB 3.77Å; L361-A366 HydrophobicContact CG-CB 4.26Å
362P87.4Confident90.5Very high58 Ų5849.1 Ų49.138%0.37727%0.267SS..  trans-56.6138175-24.834.9000111.2D364 E365 A366P362-D364 PolarHBondContact O-N 2.9Å; P362-D364 VanDerWaalsContact O-N 3.12Å; P362-E365 HydrophobicContact CB-CG 4.45Å; P362-E365 PolarHBondContact O-N 3.28Å; P362-A366 PolarHBondContact O-N 3.44Å
363P81.6Confident90.6Very high52 Ų5246.5 Ų46.534%0.33826%0.259SS..Hα-helixtrans-54.8-34.6-179.5-27.735.6000113.5P354 E365 A366 L367P354-P363 HydrophobicContact CB-CG 3.88Å; P354-P363 HydrophobicContact CG-CB 4.28Å; P354-P363 HydrophobicContact CG-CG 3.87Å; P363-E365 PolarHBondContact O-N 3.11Å; P363-A366 PolarHBondContact O-N 3.08Å; P363-L367 PolarHBondContact O-N 3.37Å
364D84.5Confident90.7Very high151 Ų15144.3 Ų44.381%0.80725%0.247SC*.Hα-helixtrans-65.6-27.7-179.5-49.1-16.5000112.6P362P362-D364 PolarHBondContact O-N 2.9Å; P362-D364 VanDerWaalsContact O-N 3.12Å
365E87.9Confident90.9Very high126 Ų12642.3 Ų42.359%0.58923%0.234SC*.Hα-helixtrans-93-23.9176.6-65.3-177-170.700111.9L361 P362 P363L361-E365 HydrophobicContact CD1-CB 4.21Å; L361-E365 HydrophobicContact CG-CB 4.32Å; P362-E365 HydrophobicContact CB-CG 4.45Å; P362-E365 PolarHBondContact O-N 3.28Å; P363-E365 PolarHBondContact O-N 3.11Å
366A92.5Very high91.1Very high0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-75.5-22.7-17600000113.6A333 N334 Y357 L361 P362 P363A333-A366 CarbonylContact C-O 3.59Å; A333-A366 VanDerWaalsContact CA-O 3.28Å; A333-A366 WeakPolarHBondContact CA-O 3.46Å; N334-A366 PolarHBondContact N-O 3.4Å; Y357-A366 HydrophobicContact CD1-CB 3.4Å; Y357-A366 VanDerWaalsContact CD1-CB 3.4Å; Y357-A366 HydrophobicContact CD2-CB 4.17Å; Y357-A366 HydrophobicContact CE1-CB 3.79Å; Y357-A366 WeakPolarHBondContact CE1-O 3.19Å; Y357-A366 HydrophobicContact CG-CB 3.6Å; L361-A366 HydrophobicContact CD2-CB 3.77Å; L361-A366 HydrophobicContact CG-CB 4.26Å; P362-A366 PolarHBondContact O-N 3.44Å; P363-A366 PolarHBondContact O-N 3.08Å
367L94.9Very high91.1Very high26 Ų2643.9 Ų43.914%0.13624%0.24CC..EExtended strand (participates in β ladder)trans-116.9119.7176.3-179.765.7000111.8N334 L336 F351 E352 P363N334-L367 HydrophobicContact CB-CD1 4.16Å; N334-L367 WeakPolarHBondContact O-CA 3.36Å; L336-L367 HydrophobicContact CB-CD1 4.41Å; F351-L367 HydrophobicContact CB-CD1 4.09Å; F351-L367 HydrophobicContact CB-CD2 3.75Å; E352-L367 HydrophobicContact CG-CD2 3.64Å; P363-L367 PolarHBondContact O-N 3.37Å
368S95.1Very high91Very high30 Ų3051.5 Ų51.521%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-106.2136.7167.6-75.30000111.4A255 N334 L335 L336A255-S368 WeakPolarHBondContact CB-OG 3.08Å; N334-S368 PolarHBondContact O-N 2.86Å; L335-S368 WeakPolarHBondContact CA-O 3.28Å; L336-S368 PolarHBondContact N-O 3.37Å
369L95.4Very high91.1Very high40 Ų4052 Ų5221%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-120.4117.6-179.3178.559.6000111.5P238 L336 L338 T348 K371P238-L369 WeakPolarHBondContact CD-O 3.37Å; L336-L369 HydrophobicContact CB-CD1 4.18Å; L336-L369 HydrophobicContact CD2-CD1 4.08Å; L336-L369 HydrophobicContact CG-CD1 4.07Å; L336-L369 WeakPolarHBondContact O-CA 3.47Å; L338-L369 HydrophobicContact CD1-CD1 3.95Å; L338-L369 HydrophobicContact CG-CD1 4.03Å; T348-L369 HydrophobicContact CG2-CD1 3.95Å; T348-L369 HydrophobicContact CG2-CD2 4Å; L369-K371 HydrophobicContact CD1-CG 4.46Å; L369-K371 VanDerWaalsContact CD2-CE 3.43Å; L369-K371 HydrophobicContact CG-CG 4.37Å
370W95.9Very high91.5Very high7 Ų752.7 Ų52.73%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-114142.1175.2-63-1.4000110.3T235 L236 T237 E251 L252 L335 L336 I337 L338T235-W370 HydrophobicContact CG2-CB 4.44Å; L236-W370 WeakPolarHBondContact O-CA 3.11Å; T237-W370 HydrophobicContact CG2-CB 4.49Å; T237-W370 HydrophobicContact CG2-CD2 3.62Å; T237-W370 HydrophobicContact CG2-CE3 4.33Å; T237-W370 HydrophobicContact CG2-CG 3.67Å; T237-W370 HydrophobicContact CG2-CZ2 4.19Å; E251-W370 HydrophobicContact CB-CH2 4.12Å; E251-W370 HydrophobicContact CB-CZ2 3.73Å; L252-W370 HydrophobicContact CB-CH2 3.86Å; L335-W370 HydrophobicContact CD1-CB 4.44Å; L335-W370 HydrophobicContact CD1-CD2 3.52Å; L335-W370 VanDerWaalsContact CD1-CE2 3.5Å; L335-W370 HydrophobicContact CD1-CE3 4.11Å; L335-W370 HydrophobicContact CD1-CG 3.66Å; L335-W370 HydrophobicContact CD1-CZ2 4.09Å; L335-W370 HydrophobicContact CD2-CD2 4.16Å; L335-W370 HydrophobicContact CD2-CE3 3.96Å; L335-W370 HydrophobicContact CD2-CH2 3.77Å; L335-W370 HydrophobicContact CD2-CZ2 3.91Å; L335-W370 HydrophobicContact CD2-CZ3 3.78Å; L335-W370 HydrophobicContact CG-CD2 4.37Å; L335-W370 HydrophobicContact CG-CE3 4.5Å; L336-W370 PolarHBondContact O-N 3.1Å; I337-W370 CarbonylContact C-O 3.6Å; I337-W370 WeakPolarHBondContact CA-O 3.46Å; I337-W370 HydrophobicContact CD1-CE3 3.97Å; I337-W370 HydrophobicContact CD1-CZ3 4.41Å; I337-W370 HydrophobicContact CG1-CB 4.22Å; I337-W370 HydrophobicContact CG1-CE3 4.06Å; I337-W370 HydrophobicContact CG2-CB 4.49Å; L338-W370 PolarHBondContact N-O 3.11Å
371K95.7Very high92Very high38 Ų3848.2 Ų48.217%0.16525%0.25CS..EExtended strand (participates in β ladder)trans-130.3145.8-176.5-64.2-173.6-179.8-173.40111.1L236 L338 V343 Y344 L369L236-K371 WeakPolarHBondContact CA-O 3.44Å; L236-K371 VanDerWaalsContact CB-O 3.27Å; L236-K371 WeakPolarHBondContact CB-O 3.5Å; L236-K371 PolarHBondContact N-O 3.49Å; L236-K371 PolarHBondContact O-N 2.84Å; L338-K371 HydrophobicContact CB-CG 4.46Å; L338-K371 CarbonylContact O-C 3.52Å; L338-K371 WeakPolarHBondContact O-CA 3.31Å; V343-K371 HydrophobicContact CG1-CB 4.39Å; V343-K371 HydrophobicContact CG2-CB 3.9Å; V343-K371 HydrophobicContact CG2-CD 4.22Å; V343-K371 HydrophobicContact CG2-CG 4.01Å; Y344-K371 HydrophobicContact CD1-CD 4.17Å; L369-K371 HydrophobicContact CD1-CG 4.46Å; L369-K371 VanDerWaalsContact CD2-CE 3.43Å; L369-K371 HydrophobicContact CG-CG 4.37Å
372S94.8Very high92.5Very high0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-140126.9168.6-1710000109.3P234 L338 R339 G340 V374P234-S372 PolarHBondContact O-OG 2.98Å; L338-S372 PolarHBondContact O-N 2.86Å; R339-S372 CarbonylContact C-O 3.4Å; R339-S372 WeakPolarHBondContact CA-O 3.32Å; G340-S372 PolarHBondContact N-O 2.79Å; S372-V374 PolarHBondContact O-N 2.82Å; S372-V374 VanDerWaalsContact O-N 3.13Å; S372-V374 PolarHBondContact OG-N 2.85Å
373P93.6Very high93Very high55 Ų5544.9 Ų44.936%0.35723%0.23SC..SBendtrans-70.4-5.3174.630.6-35.4000112.5V343 P375V343-P373 HydrophobicContact CG1-CB 4.47Å; P373-P375 WeakPolarHBondContact O-CD 3.22Å
374V93.9Very high93.7Very high4 Ų442.5 Ų42.52%0.02421%0.214CC..SBendtrans-85.5114-176.8-178.90000109.3Y35 Y244 S372Y35-V374 HydrophobicContact CD1-CG1 4.06Å; Y35-V374 HydrophobicContact CD1-CG2 4.5Å; Y35-V374 HydrophobicContact CD2-CB 4.13Å; Y35-V374 HydrophobicContact CD2-CG1 4.2Å; Y35-V374 HydrophobicContact CD2-CG2 3.63Å; Y35-V374 HydrophobicContact CE1-CG1 3.87Å; Y35-V374 HydrophobicContact CE2-CB 4.04Å; Y35-V374 HydrophobicContact CE2-CG1 3.99Å; Y35-V374 HydrophobicContact CE2-CG2 4.06Å; Y35-V374 HydrophobicContact CG-CG1 4.23Å; Y35-V374 HydrophobicContact CG-CG2 3.87Å; Y244-V374 WeakPolarHBondContact OH-CG2 3.19Å; S372-V374 PolarHBondContact O-N 2.82Å; S372-V374 VanDerWaalsContact O-N 3.13Å; S372-V374 PolarHBondContact OG-N 2.85Å
375P93.8Very high94.4Very high37 Ų3735.4 Ų35.424%0.2418%0.177CC..  trans-60.6151.6173.425-35.5000111.1R32 P373 Y379R32-P375 VanDerWaalsContact NH2-CD 3.34Å; P373-P375 WeakPolarHBondContact O-CD 3.22Å; P375-Y379 WeakPolarHBondContact CB-O 3.47Å
376F93.9Very high94.8Very high6 Ų629.4 Ų29.43%0.02615%0.148CC..BIsolated β-bridgetrans-132.4144.4-174.8179.8-98.4000110.9V22 D26 H226 Q233 K378 Y379V22-F376 HydrophobicContact CG1-CE2 4.05Å; V22-F376 HydrophobicContact CG1-CZ 3.71Å; D26-F376 HydrophobicContact CB-CD2 4.39Å; D26-F376 HydrophobicContact CB-CE2 4.26Å; D26-F376 VanDerWaalsContact OD1-CD2 3.28Å; D26-F376 WeakPolarHBondContact OD1-CD2 3.49Å; H226-F376 WeakPolarHBondContact O-CE1 3.43Å; H226-F376 WeakPolarHBondContact O-CZ 3.25Å; Q233-F376 HydrophobicContact CG-CE2 4.11Å; F376-K378 VanDerWaalsContact C-N 3.27Å; F376-K378 PolarHBondContact O-N 2.85Å; F376-Y379 PolarHBondContact O-N 3.1Å; F376-Y379 VanDerWaalsContact O-N 3.12Å
377N90.6Very high95Very high48 Ų4829.6 Ų29.626%0.25715%0.15SC..THydrogen-bonded Turntrans51.741.7178.6-166.822.1000114H226 Y379H226-N377 VanDerWaalsContact CE1-CG 3.46Å; H226-N377 PolarHBondContact CE1-OD1 3.26Å; H226-N377 VanDerWaalsContact ND1-CG 3.33Å; H226-N377 PolarHBondContact ND1-OD1 2.9Å; H226-N377 PolarHBondContact NE2-OD1 3.33Å; N377-Y379 HydrophobicContact CB-CD2 4.16Å; N377-Y379 HydrophobicContact CB-CE2 4.39Å; N377-Y379 WeakPolarHBondContact O-CD2 3.35Å; N377-Y379 PolarHBondContact O-N 2.94Å
378K90.3Very high95.1Very high164 Ų16428.4 Ų28.471%0.71314%0.143SC*.THydrogen-bonded Turntrans65.9-0.7-179.5-48.8174.6-178.2176.90115.6F376F376-K378 VanDerWaalsContact C-N 3.27Å; F376-K378 PolarHBondContact O-N 2.85Å
379Y92.9Very high95.1Very high13 Ų1327.1 Ų27.15%0.05113%0.134CC..BIsolated β-bridgetrans-83.2134.1175-62.2-66.4000110.6P271 M273 I278 F283 P375 F376 N377 K381P271-Y379 HydrophobicContact CB-CE1 4.27Å; P271-Y379 HydrophobicContact CG-CD1 3.39Å; P271-Y379 HydrophobicContact CG-CD2 4.15Å; P271-Y379 HydrophobicContact CG-CE1 3.54Å; P271-Y379 HydrophobicContact CG-CE2 4.28Å; P271-Y379 HydrophobicContact CG-CG 3.7Å; P271-Y379 WeakPolarHBondContact O-CE2 3.37Å; M273-Y379 HydrophobicContact CG-CE1 3.78Å; M273-Y379 PolarHBondContact N-OH 3.37Å; M273-Y379 VanDerWaalsContact N-OH 3.09Å; M273-Y379 PolarHBondContact O-OH 2.85Å; M273-Y379 HydrophobicContact SD-CE1 4.28Å; I278-Y379 HydrophobicContact CD1-CD1 4.29Å; I278-Y379 HydrophobicContact CD1-CE1 3.73Å; I278-Y379 HydrophobicContact CG1-CD1 4.43Å; I278-Y379 HydrophobicContact CG1-CE1 3.8Å; I278-Y379 HydrophobicContact CG2-CD1 4.44Å; F283-Y379 HydrophobicContact CE1-CD1 4.13Å; F283-Y379 HydrophobicContact CE2-CD1 4.47Å; F283-Y379 AromaticContact CZ-CD1 3.8Å; F283-Y379 HydrophobicContact CZ-CD1 3.8Å; F283-Y379 HydrophobicContact CZ-CE1 4.3Å; P375-Y379 WeakPolarHBondContact CB-O 3.47Å; F376-Y379 PolarHBondContact O-N 3.1Å; F376-Y379 VanDerWaalsContact O-N 3.12Å; N377-Y379 HydrophobicContact CB-CD2 4.16Å; N377-Y379 HydrophobicContact CB-CE2 4.39Å; N377-Y379 WeakPolarHBondContact O-CD2 3.35Å; N377-Y379 PolarHBondContact O-N 2.94Å; Y379-K381 PolarHBondContact O-N 3.08Å
380E94.2Very high95Very high117 Ų11726.9 Ų26.955%0.54713%0.132SC..SBendtrans-65.2-30.8174.4-63.3-168.7162.800112.3F283 G340 K341F283-E380 HydrophobicContact CD2-CB 4.31Å; G340-E380 CarbonylContact C-O 3.48Å; G340-E380 VanDerWaalsContact CA-O 3.25Å; G340-E380 WeakPolarHBondContact CA-O 3.38Å; K341-E380 PolarHBondContact N-O 2.7Å
381K96.4Very high94.9Very high26 Ų2626.7 Ų26.711%0.11313%0.132CC..EExtended strand (participates in β ladder)trans-140.1131.1175.9-62.7176.3-175.3171.80108.9P271 F283 W285 L288 R339 K341 D342 Y379P271-K381 WeakPolarHBondContact CD-O 3.18Å; F283-K381 HydrophobicContact CB-CB 4.03Å; F283-K381 HydrophobicContact CB-CD 4.23Å; F283-K381 HydrophobicContact CB-CG 4.4Å; F283-K381 WeakPolarHBondContact O-CD 3.41Å; F283-K381 PolarHBondContact O-NZ 2.89Å; W285-K381 HydrophobicContact CD2-CD 4.11Å; W285-K381 HydrophobicContact CG-CD 4.26Å; W285-K381 HydrophobicContact CH2-CB 3.93Å; W285-K381 HydrophobicContact CH2-CG 4.42Å; W285-K381 HydrophobicContact CZ2-CB 3.87Å; W285-K381 HydrophobicContact CZ2-CD 4.21Å; W285-K381 HydrophobicContact CZ2-CG 3.84Å; W285-K381 HydrophobicContact CZ3-CB 4.33Å; L288-K381 HydrophobicContact CD1-CB 3.97Å; R339-K381 CarbonylContact O-C 3.6Å; R339-K381 WeakPolarHBondContact O-CA 3.43Å; K341-K381 HydrophobicContact CB-CG 4.5Å; K341-K381 VanDerWaalsContact O-CE 3.24Å; K341-K381 WeakPolarHBondContact O-CE 3.46Å; D342-K381 IonicContact OD2-NZ 3.79Å; Y379-K381 PolarHBondContact O-N 3.08Å
382S96.9Very high94.8Very high3 Ų325.2 Ų25.22%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-142.1151.7173.757.20000111.2I270 W285 R339I270-S382 CarbonylContact O-C 3.47Å; I270-S382 WeakPolarHBondContact O-CA 3.22Å; W285-S382 WeakPolarHBondContact CH2-O 3.3Å; R339-S382 PolarHBondContact N-O 3.07Å; R339-S382 PolarHBondContact O-N 3.36Å
383A97.5Very high94.7Very high0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans-131.5130.1176.400000109.4T269 I270 W285 L289 L292 I337 L338T269-A383 WeakPolarHBondContact CA-O 3.25Å; I270-A383 HydrophobicContact CD1-CB 4.48Å; I270-A383 HydrophobicContact CG1-CB 4.01Å; I270-A383 PolarHBondContact N-O 3.07Å; I270-A383 PolarHBondContact O-N 2.85Å; W285-A383 HydrophobicContact CZ3-CB 4.4Å; L289-A383 HydrophobicContact CD2-CB 4.38Å; L292-A383 HydrophobicContact CD2-CB 3.61Å; I337-A383 CarbonylContact O-C 3.53Å; I337-A383 WeakPolarHBondContact O-CA 3.43Å; L338-A383 HydrophobicContact CD2-CB 3.62Å
384T97.6Very high94.6Very high1 Ų127.2 Ų27.21%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-117.5126.8173.9-64.60000108V231 V267 C268 T269 I337 V386V231-T384 HydrophobicContact CG2-CG2 3.69Å; V267-T384 HydrophobicContact CG2-CG2 3.73Å; C268-T384 CarbonylContact O-C 3.59Å; C268-T384 WeakPolarHBondContact O-CA 3.36Å; T269-T384 WeakPolarHBondContact CG2-OG1 3.49Å; T269-T384 WeakPolarHBondContact OG1-CG2 3.35Å; T269-T384 PolarHBondContact OG1-OG1 2.88Å; T269-T384 VanDerWaalsContact OG1-OG1 3.07Å; I337-T384 PolarHBondContact N-O 2.89Å; I337-T384 PolarHBondContact O-N 3.4Å; T384-V386 HydrophobicContact CG2-CG2 4.46Å
385L97.6Very high94.6Very high3 Ų328.2 Ų28.22%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-110.7123.9176.1-176.470.4000108.5V267 C268 L292 L296 N334 L335 L336 F351V267-L385 CarbonylContact C-O 3.35Å; V267-L385 WeakPolarHBondContact CA-O 3.38Å; C268-L385 HydrophobicContact CB-CB 4.5Å; C268-L385 PolarHBondContact N-O 3.41Å; C268-L385 PolarHBondContact O-N 2.87Å; L292-L385 HydrophobicContact CD1-CB 3.87Å; L292-L385 HydrophobicContact CD1-CD2 4.3Å; L292-L385 HydrophobicContact CD2-CB 4.1Å; L292-L385 HydrophobicContact CG-CB 4.15Å; L292-L385 HydrophobicContact CG-CD2 4.33Å; L296-L385 HydrophobicContact CB-CD2 3.76Å; L296-L385 HydrophobicContact CD1-CD2 3.87Å; L296-L385 HydrophobicContact CD2-CD2 4.03Å; L296-L385 HydrophobicContact CG-CD2 4.08Å; N334-L385 HydrophobicContact CB-CD1 4.19Å; L335-L385 WeakPolarHBondContact O-CA 3.22Å; L336-L385 HydrophobicContact CB-CD1 4.26Å; L336-L385 HydrophobicContact CD1-CD1 4.24Å; F351-L385 HydrophobicContact CE1-CD1 4.49Å; F351-L385 HydrophobicContact CE1-CD2 4.41Å
386V98Very high94.7Very high0 Ų026.6 Ų26.60%012%0.123CC..EExtended strand (participates in β ladder)trans-108.3128.1168.7-168.40000107.5L195 V231 L256 L265 S266 V267 L335 T384L195-V386 HydrophobicContact CD1-CG1 4Å; V231-V386 HydrophobicContact CB-CG2 4.49Å; V231-V386 HydrophobicContact CG1-CG2 4.13Å; V231-V386 HydrophobicContact CG2-CG2 3.53Å; L256-V386 HydrophobicContact CD1-CB 3.83Å; L256-V386 HydrophobicContact CD1-CG1 3.46Å; L256-V386 VanDerWaalsContact CD1-CG1 3.46Å; L265-V386 HydrophobicContact CB-CG1 4.09Å; L265-V386 HydrophobicContact CD1-CG1 4.39Å; S266-V386 CarbonylContact O-C 3.58Å; S266-V386 WeakPolarHBondContact O-CA 3.1Å; V267-V386 HydrophobicContact CG2-CG2 4.37Å; L335-V386 HydrophobicContact CB-CB 4.36Å; L335-V386 PolarHBondContact N-O 3.35Å; L335-V386 PolarHBondContact O-N 3.33Å; T384-V386 HydrophobicContact CG2-CG2 4.46Å
387S96.8Very high94.8Very high4 Ų428.3 Ų28.33%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-131.3128.6-171.7-660000110.8S266 L296 N334S266-S387 PolarHBondContact N-O 2.94Å; S266-S387 PolarHBondContact O-N 3.12Å; S266-S387 PolarHBondContact OG-O 3.06Å; L296-S387 WeakPolarHBondContact CD1-OG 3.33Å; N334-S387 WeakPolarHBondContact OD1-CB 3.44Å; N334-S387 PolarHBondContact OD1-OG 3.25Å
388N97.1Very high95Very high0 Ų029.3 Ų29.30%014%0.138CC..EExtended strand (participates in β ladder)trans-90.8102.5160.4-167.3-13000107.2L256 Y262 L264 L265 L332 A333 Y440L256-N388 WeakPolarHBondContact O-CB 3.37Å; L256-N388 PolarHBondContact O-ND2 3.44Å; Y262-N388 PolarHBondContact O-ND2 2.95Å; L264-N388 PolarHBondContact O-OD1 2.95Å; L265-N388 HydrophobicContact CD2-CB 3.74Å; L332-N388 HydrophobicContact CB-CB 4.42Å; L332-N388 WeakPolarHBondContact CB-O 3.33Å; L332-N388 PolarHBondContact N-O 3.44Å; A333-N388 PolarHBondContact N-O 3.35Å; A333-N388 PolarHBondContact O-N 3.43Å; N388-Y440 VanDerWaalsContact OD1-CE1 3.3Å; N388-Y440 WeakPolarHBondContact OD1-CE1 3.42Å; N388-Y440 PolarHBondContact OD1-OH 3.16Å
389S94.8Very high95.2Very high3 Ų321.8 Ų21.82%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-153.4178.8-170.789.60000111N329 T330 S331 A391 Y440N329-S389 PolarHBondContact ND2-OG 3.41Å; N329-S389 WeakPolarHBondContact OD1-CB 3.44Å; N329-S389 PolarHBondContact OD1-OG 2.84Å; T330-S389 WeakPolarHBondContact O-CB 3.46Å; S331-S389 WeakPolarHBondContact OG-CB 3.2Å; S389-A391 PolarHBondContact O-N 2.99Å; S389-A391 VanDerWaalsContact OG-CB 3.28Å; S389-A391 WeakPolarHBondContact OG-CB 3.46Å; S389-A391 PolarHBondContact OG-N 3.37Å; S389-A391 VanDerWaalsContact OG-N 3.07Å; S389-Y440 WeakPolarHBondContact O-CE1 3.25Å
390Q93.8Very high95.4Very high36 Ų3621.4 Ų21.417%0.16810%0.104CC..G310 helixtrans-65.53.6172.8-63.7-178.1-43.200114.5N329 T330 L392 L393 Y440 L443N329-Q390 PolarHBondContact OD1-N 3.07Å; T330-Q390 PolarHBondContact O-N 3.3Å; T330-Q390 VanDerWaalsContact O-N 3.15Å; T330-Q390 PolarHBondContact OG1-OE1 2.78Å; Q390-L392 VanDerWaalsContact C-N 3.28Å; Q390-L392 PolarHBondContact O-N 3.25Å; Q390-L393 WeakPolarHBondContact O-CB 3.45Å; Q390-L393 PolarHBondContact O-N 2.65Å; Q390-L393 VanDerWaalsContact O-N 3.11Å; Q390-Y440 WeakPolarHBondContact CG-O 3.38Å; Q390-Y440 PolarHBondContact NE2-O 3.44Å; Q390-L443 HydrophobicContact CG-CB 4.27Å; Q390-L443 HydrophobicContact CG-CD1 4.14Å
391A92.4Very high95.5Very high2 Ų221.6 Ų21.62%0.01710%0.1CC..G310 helixtrans-57.8-38.5-172.500000113.9N299 N329 S389N299-A391 WeakPolarHBondContact ND2-CA 3.45Å; N299-A391 PolarHBondContact ND2-O 3.48Å; N299-A391 VanDerWaalsContact OD1-CA 3.31Å; N299-A391 WeakPolarHBondContact OD1-CA 3.12Å; N299-A391 WeakPolarHBondContact OD1-CB 3.4Å; N329-A391 PolarHBondContact OD1-N 3.44Å; S389-A391 PolarHBondContact O-N 2.99Å; S389-A391 VanDerWaalsContact OG-CB 3.28Å; S389-A391 WeakPolarHBondContact OG-CB 3.46Å; S389-A391 PolarHBondContact OG-N 3.37Å; S389-A391 VanDerWaalsContact OG-N 3.07Å
392L94.1Very high95.5Very high8 Ų824.3 Ų24.34%0.04211%0.111CC..G310 helixtrans-93.51.9-176.3-66.2167.5000113.1V196 L264 Q390 P395 L396V196-L392 HydrophobicContact CB-CD1 3.83Å; V196-L392 HydrophobicContact CB-CD2 4.03Å; V196-L392 HydrophobicContact CG1-CD2 3.97Å; V196-L392 HydrophobicContact CG2-CD1 3.82Å; L264-L392 HydrophobicContact CB-CD1 3.88Å; Q390-L392 VanDerWaalsContact C-N 3.28Å; Q390-L392 PolarHBondContact O-N 3.25Å; L392-P395 WeakPolarHBondContact O-CD 3.47Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 PolarHBondContact O-N 2.84Å; L392-L396 VanDerWaalsContact O-N 3.08Å
393L93.4Very high95.5Very high11 Ų1124.1 Ų24.16%0.05811%0.11CC..Hα-helixtrans-62.7-47.2-177.4-175.161.5000112.1L323 Q390 L396 D397 I437L323-L393 HydrophobicContact CD2-CD2 3.69Å; L323-L393 HydrophobicContact CD2-CG 4.33Å; Q390-L393 WeakPolarHBondContact O-CB 3.45Å; Q390-L393 PolarHBondContact O-N 2.65Å; Q390-L393 VanDerWaalsContact O-N 3.11Å; L393-L396 PolarHBondContact O-N 3.07Å; L393-D397 WeakPolarHBondContact O-CB 3.39Å; L393-D397 PolarHBondContact O-N 2.6Å; L393-I437 HydrophobicContact CD1-CB 4.22Å; L393-I437 HydrophobicContact CD1-CG1 4.44Å; L393-I437 HydrophobicContact CD1-CG2 3.82Å; L393-I437 WeakPolarHBondContact CD1-O 3.33Å
394R91.6Very high95.5Very high86 Ų8629 Ų2933%0.32513%0.129SC..Hα-helixtrans-66.3-49.8-179.8-65.6-173.8-173.6131.513113L323 S324 S327 L396 D397 D398L323-R394 PolarHBondContact O-NE 3.42Å; L323-R394 PolarHBondContact O-NH2 2.95Å; S324-R394 PolarHBondContact O-NH2 2.76Å; S327-R394 PolarHBondContact OG-NH2 3.12Å; R394-L396 VanDerWaalsContact C-N 3.25Å; R394-L396 PolarHBondContact O-N 2.99Å; R394-D397 PolarHBondContact O-N 3.23Å; R394-D398 WeakPolarHBondContact O-CB 3.19Å; R394-D398 PolarHBondContact O-N 3.47Å
395P93.3Very high95.4Very high24 Ų2433.5 Ų33.516%0.15615%0.153CC..Hα-helixtrans-56.1-40.4174.8-26.134000113.1W166 E198 L392 M399W166-P395 HydrophobicContact CZ2-CB 4.28Å; W166-P395 WeakPolarHBondContact CZ2-O 3.39Å; E198-P395 WeakPolarHBondContact OE2-CG 3.13Å; L392-P395 WeakPolarHBondContact O-CD 3.47Å; P395-M399 VanDerWaalsContact O-CB 3.31Å; P395-M399 WeakPolarHBondContact O-CB 3.08Å; P395-M399 PolarHBondContact O-N 3.49Å; P395-M399 VanDerWaalsContact O-N 3.1Å
396L95.6Very high95.3Very high4 Ų434.9 Ų34.92%0.02116%0.159CC..Hα-helixtrans-65.2-52178.3177.460.9000111.6W166 L184 L264 L392 L393 R394 D398 M399 V400 V436 I437W166-L396 HydrophobicContact CH2-CB 4.41Å; W166-L396 HydrophobicContact CH2-CD1 4.15Å; L184-L396 HydrophobicContact CD1-CD1 4.01Å; L264-L396 HydrophobicContact CD1-CD2 3.95Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 PolarHBondContact O-N 2.84Å; L392-L396 VanDerWaalsContact O-N 3.08Å; L393-L396 PolarHBondContact O-N 3.07Å; R394-L396 VanDerWaalsContact C-N 3.25Å; R394-L396 PolarHBondContact O-N 2.99Å; L396-D398 PolarHBondContact O-N 2.88Å; L396-M399 HydrophobicContact CD1-CE 3.94Å; L396-M399 PolarHBondContact O-N 2.68Å; L396-V400 HydrophobicContact CD1-CG2 4.24Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 2.86Å; L396-V436 HydrophobicContact CD2-CG1 4.05Å; L396-I437 HydrophobicContact CD2-CG1 3.68Å; L396-I437 HydrophobicContact CG-CD1 4.09Å; L396-I437 HydrophobicContact CG-CG1 3.76Å
397D95.4Very high95.3Very high42 Ų4235.8 Ų35.823%0.22516%0.164CC..Hα-helixtrans-61.2-43.4179.7-176.952.9000112.1L393 R394 M399 V400 R401 I437L393-D397 WeakPolarHBondContact O-CB 3.39Å; L393-D397 PolarHBondContact O-N 2.6Å; R394-D397 PolarHBondContact O-N 3.23Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.1Å; D397-V400 PolarHBondContact O-N 3.26Å; D397-R401 VanDerWaalsContact O-CB 3.25Å; D397-R401 WeakPolarHBondContact O-CB 3.47Å; D397-R401 PolarHBondContact O-N 2.94Å; D397-R401 IonicContact OD2-CZ 2.63Å; D397-R401 IonicContact OD2-NH2 3.36Å; D397-R401 PolarHBondContact OD2-NH2 2.99Å; D397-I437 HydrophobicContact CB-CD1 4.22Å
398D94.4Very high95.3Very high68 Ų6839 Ų3936%0.36419%0.19SC..Hα-helixtrans-64-37.5177-78.8-23.6000112.4R394 L396 R401 K402R394-D398 WeakPolarHBondContact O-CB 3.19Å; R394-D398 PolarHBondContact O-N 3.47Å; L396-D398 PolarHBondContact O-N 2.88Å; D398-R401 IonicContact OD1-CZ 3.4Å; D398-R401 IonicContact OD1-NH1 2.82Å; D398-R401 PolarHBondContact OD1-NH1 2.99Å; D398-R401 IonicContact OD1-NH2 3.66Å; D398-R401 PolarHBondContact OD1-NH2 3.36Å; D398-K402 WeakPolarHBondContact O-CB 3.25Å; D398-K402 VanDerWaalsContact O-CG 3.22Å; D398-K402 WeakPolarHBondContact O-CG 3.5Å; D398-K402 PolarHBondContact O-N 2.97Å; D398-K402 VanDerWaalsContact O-N 3.08Å
399M95.7Very high95.2Very high7 Ų743.5 Ų43.53%0.03422%0.222CC..Hα-helixtrans-67.6-46.9176.3-179.5-149.670.500111.4W166 S180 V181 L184 P395 L396 D397 K402 A403 L433W166-M399 HydrophobicContact CH2-CE 4.41Å; W166-M399 HydrophobicContact CH2-SD 3.77Å; W166-M399 HydrophobicContact CZ2-CB 3.89Å; W166-M399 HydrophobicContact CZ2-CG 4.2Å; W166-M399 HydrophobicContact CZ2-SD 3.57Å; W166-M399 VanDerWaalsContact CZ2-SD 3.57Å; S180-M399 WeakPolarHBondContact CB-SD 3.45Å; V181-M399 HydrophobicContact CG2-CE 3.7Å; L184-M399 HydrophobicContact CD1-CE 3.82Å; L184-M399 HydrophobicContact CD1-SD 3.88Å; P395-M399 VanDerWaalsContact O-CB 3.31Å; P395-M399 WeakPolarHBondContact O-CB 3.08Å; P395-M399 PolarHBondContact O-N 3.49Å; P395-M399 VanDerWaalsContact O-N 3.1Å; L396-M399 HydrophobicContact CD1-CE 3.94Å; L396-M399 PolarHBondContact O-N 2.68Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.1Å; M399-K402 PolarHBondContact O-N 3.37Å; M399-A403 PolarHBondContact O-N 3.03Å; M399-L433 HydrophobicContact CE-CD1 4.07Å
400V97Very high95.2Very high4 Ų451.6 Ų51.62%0.02425%0.252CS..Hα-helixtrans-60.5-48.2176.9169.70000110.3V181 L396 D397 K402 A403 W404 F430 L433 E434 I437V181-V400 HydrophobicContact CG2-CG2 4.36Å; L396-V400 HydrophobicContact CD1-CG2 4.24Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 2.86Å; D397-V400 PolarHBondContact O-N 3.26Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 3.47Å; V400-A403 PolarHBondContact O-N 2.97Å; V400-A403 VanDerWaalsContact O-N 3.15Å; V400-W404 WeakPolarHBondContact O-CB 3.39Å; V400-W404 PolarHBondContact O-N 3.28Å; V400-F430 HydrophobicContact CG1-CD1 4.17Å; V400-L433 HydrophobicContact CG2-CB 3.94Å; V400-L433 HydrophobicContact CG2-CD1 3.96Å; V400-E434 HydrophobicContact CG1-CG 4.32Å; V400-I437 HydrophobicContact CB-CD1 4.14Å; V400-I437 HydrophobicContact CG1-CD1 4.4Å; V400-I437 HydrophobicContact CG2-CD1 3.95Å
401R96.6Very high95.2Very high122 Ų12251.3 Ų51.346%0.4626%0.256SS..Hα-helixtrans-58.2-44178-166-169.5-52.2136.33.6112.3D397 D398 W404 N405D397-R401 VanDerWaalsContact O-CB 3.25Å; D397-R401 WeakPolarHBondContact O-CB 3.47Å; D397-R401 PolarHBondContact O-N 2.94Å; D397-R401 IonicContact OD2-CZ 2.63Å; D397-R401 IonicContact OD2-NH2 3.36Å; D397-R401 PolarHBondContact OD2-NH2 2.99Å; D398-R401 IonicContact OD1-CZ 3.4Å; D398-R401 IonicContact OD1-NH1 2.82Å; D398-R401 PolarHBondContact OD1-NH1 2.99Å; D398-R401 IonicContact OD1-NH2 3.66Å; D398-R401 PolarHBondContact OD1-NH2 3.36Å; R401-W404 PolarHBondContact O-N 3.41Å; R401-N405 VanDerWaalsContact O-CG 3.25Å; R401-N405 PolarHBondContact O-N 3.49Å; R401-N405 PolarHBondContact O-ND2 2.63Å
402K95.6Very high95.4Very high82 Ų8255.4 Ų55.436%0.35727%0.271SS..Hα-helixtrans-63.7-43.2176.6-75.3172.4-178174.70111.8G169 N177 D398 M399 V400 M406G169-K402 PolarHBondContact O-NZ 3.12Å; N177-K402 HydrophobicContact CB-CB 4.36Å; D398-K402 WeakPolarHBondContact O-CB 3.25Å; D398-K402 VanDerWaalsContact O-CG 3.22Å; D398-K402 WeakPolarHBondContact O-CG 3.5Å; D398-K402 PolarHBondContact O-N 2.97Å; D398-K402 VanDerWaalsContact O-N 3.08Å; M399-K402 PolarHBondContact O-N 3.37Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 3.47Å; K402-M406 WeakPolarHBondContact O-CG 3.45Å; K402-M406 PolarHBondContact O-N 3.07Å
403A96.6Very high95.4Very high0 Ų055.3 Ų55.30%027%0.271CS..Hα-helixtrans-64.1-43.1175.900000111.8N177 Y178 V181 M399 V400 N405 M406 F407 F430N177-A403 HydrophobicContact CB-CB 3.78Å; Y178-A403 HydrophobicContact CD1-CB 4.15Å; Y178-A403 WeakPolarHBondContact CE1-O 3.36Å; V181-A403 HydrophobicContact CB-CB 4.5Å; V181-A403 HydrophobicContact CG2-CB 3.57Å; M399-A403 PolarHBondContact O-N 3.03Å; V400-A403 PolarHBondContact O-N 2.97Å; V400-A403 VanDerWaalsContact O-N 3.15Å; A403-N405 PolarHBondContact O-N 3.23Å; A403-M406 WeakPolarHBondContact O-CB 3.38Å; A403-M406 PolarHBondContact O-N 3.12Å; A403-F407 WeakPolarHBondContact O-CB 3.25Å; A403-F407 PolarHBondContact O-N 3.09Å; A403-F430 HydrophobicContact CB-CE1 3.65Å; A403-F430 HydrophobicContact CB-CZ 3.9Å
404W97.5Very high95.5Very high103 Ų10360.9 Ų60.939%0.3930%0.296SS..Hα-helixtrans-60.7-44177.3-174-95.6000112.1V400 R401 M406 F407 A408 L427 F430V400-W404 WeakPolarHBondContact O-CB 3.39Å; V400-W404 PolarHBondContact O-N 3.28Å; R401-W404 PolarHBondContact O-N 3.41Å; W404-M406 VanDerWaalsContact C-N 3.29Å; W404-M406 PolarHBondContact O-N 3.11Å; W404-F407 WeakPolarHBondContact O-CA 3.4Å; W404-F407 WeakPolarHBondContact O-CB 3.43Å; W404-F407 PolarHBondContact O-N 3.03Å; W404-A408 WeakPolarHBondContact O-CB 3.32Å; W404-A408 PolarHBondContact O-N 2.82Å; W404-L427 HydrophobicContact CH2-CD2 3.96Å; W404-L427 HydrophobicContact CZ3-CD2 3.95Å; W404-F430 HydrophobicContact CB-CE1 4.22Å; W404-F430 HydrophobicContact CB-CZ 4.49Å; W404-F430 HydrophobicContact CE3-CB 4.11Å; W404-F430 AromaticContact CE3-CD1 3.93Å; W404-F430 HydrophobicContact CE3-CD1 3.93Å; W404-F430 AromaticContact CE3-CD2 3.57Å; W404-F430 HydrophobicContact CE3-CD2 3.57Å; W404-F430 HydrophobicContact CE3-CE1 4.21Å; W404-F430 AromaticContact CE3-CE2 3.89Å; W404-F430 HydrophobicContact CE3-CE2 3.89Å; W404-F430 AromaticContact CE3-CG 3.61Å; W404-F430 HydrophobicContact CE3-CG 3.61Å; W404-F430 HydrophobicContact CE3-CZ 4.21Å; W404-F430 HydrophobicContact CZ3-CB 4Å; W404-F430 AromaticContact CZ3-CD2 3.68Å; W404-F430 HydrophobicContact CZ3-CD2 3.68Å; W404-F430 HydrophobicContact CZ3-CE2 4.32Å; W404-F430 AromaticContact CZ3-CG 3.87Å; W404-F430 HydrophobicContact CZ3-CG 3.87Å
405N96.5Very high95.6Very high95 Ų9560 Ų6051%0.50830%0.296SS..Hα-helixtrans-60.7-38.7176.7-72-19.9000112.5R401 A403 S409R401-N405 VanDerWaalsContact O-CG 3.25Å; R401-N405 PolarHBondContact O-N 3.49Å; R401-N405 PolarHBondContact O-ND2 2.63Å; A403-N405 PolarHBondContact O-N 3.23Å; N405-S409 PolarHBondContact O-N 2.82Å; N405-S409 PolarHBondContact O-OG 3.41Å
406M95.7Very high95.7Very high31 Ų3158.9 Ų58.915%0.15329%0.288CS..Hα-helixtrans-65-42172.9-66.6172.261.300111I174 N177 Y178 K402 A403 W404 S409 R410 A411 Y412I174-M406 WeakPolarHBondContact O-CE 3.33Å; N177-M406 HydrophobicContact CB-SD 4.37Å; Y178-M406 HydrophobicContact CD2-CE 4.1Å; Y178-M406 HydrophobicContact CE1-CB 3.92Å; Y178-M406 HydrophobicContact CE2-CB 4.33Å; Y178-M406 HydrophobicContact CE2-CE 3.95Å; Y178-M406 WeakPolarHBondContact OH-CB 3.38Å; Y178-M406 PolarHBondContact OH-O 2.93Å; Y178-M406 VanDerWaalsContact OH-O 3.11Å; K402-M406 WeakPolarHBondContact O-CG 3.45Å; K402-M406 PolarHBondContact O-N 3.07Å; A403-M406 WeakPolarHBondContact O-CB 3.38Å; A403-M406 PolarHBondContact O-N 3.12Å; W404-M406 VanDerWaalsContact C-N 3.29Å; W404-M406 PolarHBondContact O-N 3.11Å; M406-S409 PolarHBondContact O-N 3.37Å; M406-R410 PolarHBondContact O-N 3.3Å; M406-A411 PolarHBondContact O-N 3.34Å; M406-Y412 HydrophobicContact CE-CD2 4.18Å
407F97.1Very high95.8Very high20 Ų2062 Ų629%0.08831%0.308CS..Hα-helixtrans-66.3-47.6-178-173.5-97.6000112Y178 A403 W404 S409 R410 I413 E423 F426 L427 F430Y178-F407 HydrophobicContact CE1-CB 4Å; Y178-F407 WeakPolarHBondContact OH-CA 3.42Å; Y178-F407 PolarHBondContact OH-N 3.49Å; A403-F407 WeakPolarHBondContact O-CB 3.25Å; A403-F407 PolarHBondContact O-N 3.09Å; W404-F407 WeakPolarHBondContact O-CA 3.4Å; W404-F407 WeakPolarHBondContact O-CB 3.43Å; W404-F407 PolarHBondContact O-N 3.03Å; F407-S409 PolarHBondContact O-N 2.99Å; F407-R410 WeakPolarHBondContact O-CA 3.32Å; F407-R410 PolarHBondContact O-N 2.99Å; F407-I413 HydrophobicContact CD2-CD1 3.5Å; F407-I413 HydrophobicContact CD2-CG1 4.18Å; F407-I413 HydrophobicContact CE2-CD1 3.66Å; F407-I413 HydrophobicContact CG-CD1 4.21Å; F407-I413 HydrophobicContact CZ-CD1 4.47Å; F407-E423 HydrophobicContact CE2-CB 4.37Å; F407-E423 HydrophobicContact CE2-CG 4.33Å; F407-E423 HydrophobicContact CZ-CB 4.09Å; F407-E423 HydrophobicContact CZ-CG 4.33Å; F407-F426 HydrophobicContact CD2-CB 3.94Å; F407-F426 HydrophobicContact CD2-CD1 4.44Å; F407-F426 HydrophobicContact CD2-CD2 4.49Å; F407-F426 HydrophobicContact CD2-CG 4.06Å; F407-F426 HydrophobicContact CE2-CB 3.47Å; F407-F426 VanDerWaalsContact CE2-CB 3.47Å; F407-F426 HydrophobicContact CE2-CD2 4.11Å; F407-F426 AromaticContact CE2-CG 3.87Å; F407-F426 HydrophobicContact CE2-CG 3.87Å; F407-F426 HydrophobicContact CZ-CB 4.14Å; F407-L427 HydrophobicContact CE1-CD2 3.73Å; F407-L427 HydrophobicContact CE1-CG 4.2Å; F407-L427 HydrophobicContact CZ-CD2 4.17Å; F407-L427 HydrophobicContact CZ-CG 4.14Å; F407-F430 HydrophobicContact CB-CE2 3.87Å; F407-F430 HydrophobicContact CB-CZ 4.02Å; F407-F430 HydrophobicContact CD1-CE2 4.21Å; F407-F430 HydrophobicContact CD2-CE2 4.05Å; F407-F430 AromaticContact CG-CE2 3.78Å; F407-F430 HydrophobicContact CG-CE2 3.78Å; F407-F430 HydrophobicContact CG-CZ 4.43Å
408A96.4Very high95.8Very high71 Ų7167.9 Ų67.959%0.58733%0.331SS*.Hα-helixtrans-58.6-31.4176.300000112.2W404 R410W404-A408 WeakPolarHBondContact O-CB 3.32Å; W404-A408 PolarHBondContact O-N 2.82Å; A408-R410 VanDerWaalsContact C-N 3.28Å; A408-R410 PolarHBondContact O-N 3.5Å
409S96.1Very high95.8Very high94 Ų9467.2 Ų67.266%0.65733%0.325SS*.THydrogen-bonded Turntrans-84.51.6175.4-53.10000113.6N405 M406 F407 A411N405-S409 PolarHBondContact O-N 2.82Å; N405-S409 PolarHBondContact O-OG 3.41Å; M406-S409 PolarHBondContact O-N 3.37Å; F407-S409 PolarHBondContact O-N 2.99Å; S409-A411 PolarHBondContact O-N 3.3Å; S409-A411 VanDerWaalsContact O-N 3.1Å
410R94.2Very high95.7Very high174 Ų17469.6 Ų69.666%0.65735%0.352SS*.THydrogen-bonded Turntrans51.926.5-172.1-64.1-173.9161.7-168.5-11.2114.4M406 F407 A408 Y412 I413 E423M406-R410 PolarHBondContact O-N 3.3Å; F407-R410 WeakPolarHBondContact O-CA 3.32Å; F407-R410 PolarHBondContact O-N 2.99Å; A408-R410 VanDerWaalsContact C-N 3.28Å; A408-R410 PolarHBondContact O-N 3.5Å; R410-Y412 PolarHBondContact O-N 3.47Å; R410-I413 HydrophobicContact CB-CD1 4.26Å; R410-I413 HydrophobicContact CG-CD1 4.29Å; R410-E423 IonicContact NH2-OE2 3.62Å
411A95Very high95.7Very high30 Ų3070 Ų7025%0.24835%0.353CS..  trans-71.9130.3-177.400000109.8Y178 M406 S409 I413Y178-A411 WeakPolarHBondContact CE2-O 3.24Å; Y178-A411 PolarHBondContact OH-O 2.82Å; M406-A411 PolarHBondContact O-N 3.34Å; S409-A411 PolarHBondContact O-N 3.3Å; S409-A411 VanDerWaalsContact O-N 3.1Å; A411-I413 PolarHBondContact O-N 2.9Å
412Y95.1Very high95.7Very high88 Ų8866.2 Ų66.235%0.34535%0.346SS..SBendtrans59.11.3174.1-52.5-75.9000117.7I174 V175 M406 R410 H414 Q415I174-Y412 HydrophobicContact CG2-CD2 4.04Å; I174-Y412 HydrophobicContact CG2-CE1 4.35Å; I174-Y412 HydrophobicContact CG2-CE2 3.36Å; V175-Y412 HydrophobicContact CG1-CD1 4.43Å; V175-Y412 HydrophobicContact CG1-CD2 4.42Å; V175-Y412 HydrophobicContact CG1-CG 4Å; M406-Y412 HydrophobicContact CE-CD2 4.18Å; R410-Y412 PolarHBondContact O-N 3.47Å; Y412-H414 VanDerWaalsContact C-N 3.27Å; Y412-H414 PolarHBondContact O-N 3.42Å; Y412-Q415 WeakPolarHBondContact O-CB 3.43Å; Y412-Q415 PolarHBondContact O-N 3.13Å
413I94.9Very high95.7Very high6 Ų666 Ų663%0.03135%0.346CS..THydrogen-bonded Turntrans-56-40.9-179.3-63.1-178.2000111.9F407 R410 A411 Q415 Y416 V417 E423F407-I413 HydrophobicContact CD2-CD1 3.5Å; F407-I413 HydrophobicContact CD2-CG1 4.18Å; F407-I413 HydrophobicContact CE2-CD1 3.66Å; F407-I413 HydrophobicContact CG-CD1 4.21Å; F407-I413 HydrophobicContact CZ-CD1 4.47Å; R410-I413 HydrophobicContact CB-CD1 4.26Å; R410-I413 HydrophobicContact CG-CD1 4.29Å; A411-I413 PolarHBondContact O-N 2.9Å; I413-Q415 PolarHBondContact O-N 3.26Å; I413-Y416 WeakPolarHBondContact O-CB 3.36Å; I413-Y416 PolarHBondContact O-N 3.03Å; I413-V417 HydrophobicContact CG2-CG2 3.84Å; I413-V417 PolarHBondContact O-N 3.01Å; I413-V417 VanDerWaalsContact O-N 3.1Å; I413-E423 HydrophobicContact CG2-CG 3.91Å
414H94.4Very high95.7Very high127 Ų12772.4 Ų72.459%0.58838%0.376SS*.Hα-helixtrans-55.4-26.2178.768-88000113.7Y412 Y416 K418Y412-H414 VanDerWaalsContact C-N 3.27Å; Y412-H414 PolarHBondContact O-N 3.42Å; H414-Y416 VanDerWaalsContact C-N 3.29Å; H414-Y416 PolarHBondContact O-N 3.1Å; H414-K418 WeakPolarHBondContact O-CB 3.41Å; H414-K418 PolarHBondContact O-N 3.22Å
415Q94.3Very high95.7Very high68 Ų6870.3 Ų70.332%0.31837%0.373SS..Hα-helixtrans-70.1-27.7176.8-59.1-171.6100112.2N96 Y412 I413 F419N96-Q415 PolarHBondContact ND2-O 3.29Å; Y412-Q415 WeakPolarHBondContact O-CB 3.43Å; Y412-Q415 PolarHBondContact O-N 3.13Å; I413-Q415 PolarHBondContact O-N 3.26Å; Q415-F419 WeakPolarHBondContact O-CD2 3.31Å
416Y96.6Very high95.8Very high0 Ų065.8 Ų65.80%035%0.349CS..Hα-helixtrans-88.6-42.9179.4-68-101.2000111W97 A98 V175 Y178 N179 L182 I413 H414 K418 F419 G420 I421 F426W97-Y416 HydrophobicContact CB-CE1 4.19Å; A98-Y416 HydrophobicContact CB-CD1 3.84Å; A98-Y416 HydrophobicContact CB-CG 4.4Å; V175-Y416 HydrophobicContact CB-CE2 4.4Å; V175-Y416 WeakPolarHBondContact CB-OH 3.19Å; V175-Y416 HydrophobicContact CG1-CE2 4.47Å; V175-Y416 PolarHBondContact O-OH 3.04Å; Y178-Y416 WeakPolarHBondContact CB-OH 3.4Å; Y178-Y416 HydrophobicContact CD2-CD2 4.4Å; Y178-Y416 AromaticContact CD2-CE2 3.7Å; Y178-Y416 HydrophobicContact CD2-CE2 3.7Å; Y178-Y416 HydrophobicContact CE2-CE2 4.49Å; Y178-Y416 HydrophobicContact CG-CE2 4.42Å; N179-Y416 PolarHBondContact OD1-OH 3.06Å; L182-Y416 HydrophobicContact CD1-CD1 3.79Å; L182-Y416 HydrophobicContact CD1-CE1 3.76Å; I413-Y416 WeakPolarHBondContact O-CB 3.36Å; I413-Y416 PolarHBondContact O-N 3.03Å; H414-Y416 VanDerWaalsContact C-N 3.29Å; H414-Y416 PolarHBondContact O-N 3.1Å; Y416-K418 PolarHBondContact O-N 3.25Å; Y416-F419 CarbonylContact O-C 3.5Å; Y416-F419 PolarHBondContact O-N 3.04Å; Y416-G420 PolarHBondContact O-N 2.74Å; Y416-I421 CarbonylContact C-O 3.48Å; Y416-I421 PolarHBondContact O-N 3.15Å; Y416-F426 HydrophobicContact CD1-CE2 4.38Å; Y416-F426 AromaticContact CD1-CZ 3.78Å; Y416-F426 HydrophobicContact CD1-CZ 3.78Å; Y416-F426 HydrophobicContact CD2-CZ 4.1Å; Y416-F426 HydrophobicContact CE1-CZ 4.24Å; Y416-F426 HydrophobicContact CG-CE2 4.04Å; Y416-F426 AromaticContact CG-CZ 3.7Å; Y416-F426 HydrophobicContact CG-CZ 3.7Å
417V95.9Very high95.9Very high71 Ų7167.8 Ų67.843%0.4336%0.359SS..Hα-helixtrans-56.8-37.9175.5176.10000111.7I413 F419 G420 I421I413-V417 HydrophobicContact CG2-CG2 3.84Å; I413-V417 PolarHBondContact O-N 3.01Å; I413-V417 VanDerWaalsContact O-N 3.1Å; V417-F419 PolarHBondContact O-N 2.9Å; V417-F419 VanDerWaalsContact O-N 3.08Å; V417-G420 PolarHBondContact O-N 3.28Å; V417-I421 WeakPolarHBondContact CA-O 3.4Å; V417-I421 WeakPolarHBondContact CG2-O 3.49Å; V417-I421 PolarHBondContact N-O 3.48Å
418K95.6Very high95.9Very high164 Ų16471.3 Ų71.371%0.71338%0.379SS*.THydrogen-bonded Turntrans-54.4-29.3174.7179.6178.1175.6-177.80113.6H414 Y416H414-K418 WeakPolarHBondContact O-CB 3.41Å; H414-K418 PolarHBondContact O-N 3.22Å; Y416-K418 PolarHBondContact O-N 3.25Å
419F95Very high96Very high54 Ų5468.2 Ų68.224%0.23735%0.353CS..THydrogen-bonded Turntrans-107.713.7-178.4-60.9-67.3000113A98 N99 C102 V103 Q415 Y416 V417A98-F419 HydrophobicContact CB-CB 3.82Å; N99-F419 HydrophobicContact CB-CD1 4.09Å; N99-F419 HydrophobicContact CB-CD2 3.77Å; N99-F419 HydrophobicContact CB-CE1 4.11Å; N99-F419 HydrophobicContact CB-CE2 3.82Å; N99-F419 HydrophobicContact CB-CG 3.91Å; N99-F419 HydrophobicContact CB-CZ 3.98Å; N99-F419 WeakPolarHBondContact OD1-CE1 3.29Å; C102-F419 WeakPolarHBondContact CB-O 3.26Å; V103-F419 HydrophobicContact CG2-CB 4.34Å; V103-F419 HydrophobicContact CG2-CD1 3.88Å; Q415-F419 WeakPolarHBondContact O-CD2 3.31Å; Y416-F419 CarbonylContact O-C 3.5Å; Y416-F419 PolarHBondContact O-N 3.04Å; V417-F419 PolarHBondContact O-N 2.9Å; V417-F419 VanDerWaalsContact O-N 3.08Å
420G93.6Very high96.1Very high58 Ų5863.8 Ų63.860%0.59832%0.322SS*.THydrogen-bonded Turntrans95.89.5170.300000116Y416 V417Y416-G420 PolarHBondContact O-N 2.74Å; V417-G420 PolarHBondContact O-N 3.28Å
421I96.6Very high96.3Very high11 Ų1159.5 Ų59.56%0.05632%0.315CS..  trans-94.1114.2170.4-65.2-59.3000109.4W97 A98 C102 L182 Y416 V417 D425 F426W97-I421 HydrophobicContact CE3-CG1 4.35Å; W97-I421 HydrophobicContact CZ3-CD1 3.71Å; W97-I421 HydrophobicContact CZ3-CG1 3.93Å; A98-I421 HydrophobicContact CB-CB 4.05Å; A98-I421 HydrophobicContact CB-CG1 3.5Å; A98-I421 VanDerWaalsContact CB-CG1 3.5Å; C102-I421 VanDerWaalsContact SG-CD1 3.58Å; L182-I421 HydrophobicContact CD2-CG2 4.42Å; Y416-I421 CarbonylContact C-O 3.48Å; Y416-I421 PolarHBondContact O-N 3.15Å; V417-I421 WeakPolarHBondContact CA-O 3.4Å; V417-I421 WeakPolarHBondContact CG2-O 3.49Å; V417-I421 PolarHBondContact N-O 3.48Å; I421-D425 HydrophobicContact CG2-CB 3.98Å; I421-F426 HydrophobicContact CG2-CD2 3.99Å; I421-F426 HydrophobicContact CG2-CE2 3.72Å; I421-F426 HydrophobicContact CG2-CZ 4.4Å
422S96.5Very high96.4Very high44 Ų4459.3 Ų59.331%0.30831%0.312SS..  trans-78.4168.7-18072.40000112.4E424 D425 F426S422-E424 PolarHBondContact O-N 3.43Å; S422-E424 PolarHBondContact OG-N 3.39Å; S422-D425 WeakPolarHBondContact CB-OD2 3.37Å; S422-D425 PolarHBondContact N-OD2 2.97Å; S422-D425 PolarHBondContact O-N 3.15Å; S422-D425 VanDerWaalsContact OG-CG 3.23Å; S422-D425 PolarHBondContact OG-N 3.27Å; S422-D425 PolarHBondContact OG-OD2 3.21Å; S422-F426 WeakPolarHBondContact O-CD2 3.33Å
423E96.1Very high96.5Very high76 Ų7655.2 Ų55.236%0.35530%0.296SS..Hα-helixtrans-65.2-28.1170.8-73.4-177-150.500111.9F407 R410 I413 F426 L427F407-E423 HydrophobicContact CE2-CB 4.37Å; F407-E423 HydrophobicContact CE2-CG 4.33Å; F407-E423 HydrophobicContact CZ-CB 4.09Å; F407-E423 HydrophobicContact CZ-CG 4.33Å; R410-E423 IonicContact NH2-OE2 3.62Å; I413-E423 HydrophobicContact CG2-CG 3.91Å; E423-F426 WeakPolarHBondContact O-CB 3.17Å; E423-F426 PolarHBondContact O-N 3.36Å; E423-L427 WeakPolarHBondContact O-CG 3.35Å; E423-L427 PolarHBondContact O-N 2.8Å
424E97.1Very high96.6Very high136 Ų13659.3 Ų59.364%0.63632%0.315SS*.Hα-helixtrans-66.9-44176.8-171.2171.3-170.700111.1S422 F426 L427 D428S422-E424 PolarHBondContact O-N 3.43Å; S422-E424 PolarHBondContact OG-N 3.39Å; E424-F426 PolarHBondContact O-N 3.47Å; E424-L427 WeakPolarHBondContact O-CA 3.44Å; E424-L427 WeakPolarHBondContact O-CB 3.35Å; E424-L427 PolarHBondContact O-N 2.93Å; E424-D428 PolarHBondContact O-N 3.23Å
425D97.1Very high96.7Very high59 Ų5958.5 Ų58.532%0.31631%0.312SS..Hα-helixtrans-57.9-34.3176.2-61-56.8000112.5I421 S422 S429I421-D425 HydrophobicContact CG2-CB 3.98Å; S422-D425 WeakPolarHBondContact CB-OD2 3.37Å; S422-D425 PolarHBondContact N-OD2 2.97Å; S422-D425 PolarHBondContact O-N 3.15Å; S422-D425 VanDerWaalsContact OG-CG 3.23Å; S422-D425 PolarHBondContact OG-N 3.27Å; S422-D425 PolarHBondContact OG-OD2 3.21Å; D425-S429 WeakPolarHBondContact O-CB 3.27Å; D425-S429 PolarHBondContact O-N 3.43Å; D425-S429 VanDerWaalsContact O-N 3.08Å; D425-S429 PolarHBondContact O-OG 2.87Å
426F97.6Very high96.8Very high0 Ų055.7 Ų55.70%030%0.299CS..Hα-helixtrans-67.8-47.2173-85.6-76.1000111.7Y178 L182 F407 Y416 I421 S422 E423 E424 D428 S429 F430Y178-F426 HydrophobicContact CD1-CD1 4.24Å; Y178-F426 AromaticContact CD1-CE1 3.63Å; Y178-F426 HydrophobicContact CD1-CE1 3.63Å; Y178-F426 HydrophobicContact CD1-CZ 4.39Å; Y178-F426 HydrophobicContact CD2-CE1 4.45Å; Y178-F426 HydrophobicContact CD2-CZ 4.46Å; Y178-F426 HydrophobicContact CE1-CE1 4.23Å; Y178-F426 AromaticContact CG-CE1 3.77Å; Y178-F426 HydrophobicContact CG-CE1 3.77Å; Y178-F426 HydrophobicContact CG-CZ 4.18Å; L182-F426 HydrophobicContact CD1-CE1 3.77Å; L182-F426 HydrophobicContact CD1-CZ 3.83Å; L182-F426 HydrophobicContact CD2-CD1 4.21Å; L182-F426 HydrophobicContact CD2-CE1 4.19Å; L182-F426 HydrophobicContact CG-CD1 4.42Å; L182-F426 HydrophobicContact CG-CE1 3.99Å; F407-F426 HydrophobicContact CD2-CB 3.94Å; F407-F426 HydrophobicContact CD2-CD1 4.44Å; F407-F426 HydrophobicContact CD2-CD2 4.49Å; F407-F426 HydrophobicContact CD2-CG 4.06Å; F407-F426 HydrophobicContact CE2-CB 3.47Å; F407-F426 VanDerWaalsContact CE2-CB 3.47Å; F407-F426 HydrophobicContact CE2-CD2 4.11Å; F407-F426 AromaticContact CE2-CG 3.87Å; F407-F426 HydrophobicContact CE2-CG 3.87Å; F407-F426 HydrophobicContact CZ-CB 4.14Å; Y416-F426 HydrophobicContact CD1-CE2 4.38Å; Y416-F426 AromaticContact CD1-CZ 3.78Å; Y416-F426 HydrophobicContact CD1-CZ 3.78Å; Y416-F426 HydrophobicContact CD2-CZ 4.1Å; Y416-F426 HydrophobicContact CE1-CZ 4.24Å; Y416-F426 HydrophobicContact CG-CE2 4.04Å; Y416-F426 AromaticContact CG-CZ 3.7Å; Y416-F426 HydrophobicContact CG-CZ 3.7Å; I421-F426 HydrophobicContact CG2-CD2 3.99Å; I421-F426 HydrophobicContact CG2-CE2 3.72Å; I421-F426 HydrophobicContact CG2-CZ 4.4Å; S422-F426 WeakPolarHBondContact O-CD2 3.33Å; E423-F426 WeakPolarHBondContact O-CB 3.17Å; E423-F426 PolarHBondContact O-N 3.36Å; E424-F426 PolarHBondContact O-N 3.47Å; F426-D428 VanDerWaalsContact C-N 3.3Å; F426-D428 PolarHBondContact O-N 3.06Å; F426-S429 WeakPolarHBondContact O-CB 3.24Å; F426-S429 PolarHBondContact O-N 3.37Å; F426-F430 HydrophobicContact CB-CD2 4.39Å; F426-F430 HydrophobicContact CB-CE2 4.16Å; F426-F430 HydrophobicContact CD1-CE2 4.35Å; F426-F430 WeakPolarHBondContact O-CD2 3.4Å; F426-F430 WeakPolarHBondContact O-CG 3.42Å; F426-F430 PolarHBondContact O-N 3.33Å
427L98Very high96.7Very high72 Ų7256.8 Ų56.838%0.37731%0.305SS..Hα-helixtrans-61.3-40178.9-68.9173000111.5W404 F407 E423 E424 F430 T431W404-L427 HydrophobicContact CH2-CD2 3.96Å; W404-L427 HydrophobicContact CZ3-CD2 3.95Å; F407-L427 HydrophobicContact CE1-CD2 3.73Å; F407-L427 HydrophobicContact CE1-CG 4.2Å; F407-L427 HydrophobicContact CZ-CD2 4.17Å; F407-L427 HydrophobicContact CZ-CG 4.14Å; E423-L427 WeakPolarHBondContact O-CG 3.35Å; E423-L427 PolarHBondContact O-N 2.8Å; E424-L427 WeakPolarHBondContact O-CA 3.44Å; E424-L427 WeakPolarHBondContact O-CB 3.35Å; E424-L427 PolarHBondContact O-N 2.93Å; L427-F430 PolarHBondContact O-N 3.29Å; L427-T431 WeakPolarHBondContact O-CB 3.42Å; L427-T431 PolarHBondContact O-N 3.48Å; L427-T431 PolarHBondContact O-OG1 3.36Å
428D98.1Very high96.7Very high94 Ų9455.9 Ų55.950%0.50330%0.302SS..Hα-helixtrans-64.1-43.3174.9-72.3-13.1000111.2E424 F426 T431 S432E424-D428 PolarHBondContact O-N 3.23Å; F426-D428 VanDerWaalsContact C-N 3.3Å; F426-D428 PolarHBondContact O-N 3.06Å; D428-T431 PolarHBondContact O-N 3.23Å; D428-S432 WeakPolarHBondContact O-CB 3.35Å; D428-S432 PolarHBondContact O-N 3.02Å
429S98Very high96.6Very high7 Ų748.7 Ų48.75%0.04927%0.272CS..Hα-helixtrans-64-40.9176.8-61.80000112.3D425 F426 L433D425-S429 WeakPolarHBondContact O-CB 3.27Å; D425-S429 PolarHBondContact O-N 3.43Å; D425-S429 VanDerWaalsContact O-N 3.08Å; D425-S429 PolarHBondContact O-OG 2.87Å; F426-S429 WeakPolarHBondContact O-CB 3.24Å; F426-S429 PolarHBondContact O-N 3.37Å; S429-L433 WeakPolarHBondContact O-CG 3.14Å; S429-L433 PolarHBondContact O-N 3.08Å; S429-L433 VanDerWaalsContact O-N 3.15Å
430F98.4Very high96.5Very high1 Ų146.3 Ų46.30%0.00426%0.261CS..Hα-helixtrans-61.9-50.8173.5-74.8-58.7000111.1V181 V400 A403 W404 F407 F426 L427 S432 L433 E434V181-F430 HydrophobicContact CG1-CD1 4.1Å; V181-F430 HydrophobicContact CG1-CE1 4.1Å; V181-F430 HydrophobicContact CG2-CD1 4.5Å; V181-F430 HydrophobicContact CG2-CE1 4.07Å; V400-F430 HydrophobicContact CG1-CD1 4.17Å; A403-F430 HydrophobicContact CB-CE1 3.65Å; A403-F430 HydrophobicContact CB-CZ 3.9Å; W404-F430 HydrophobicContact CB-CE1 4.22Å; W404-F430 HydrophobicContact CB-CZ 4.49Å; W404-F430 HydrophobicContact CE3-CB 4.11Å; W404-F430 AromaticContact CE3-CD1 3.93Å; W404-F430 HydrophobicContact CE3-CD1 3.93Å; W404-F430 AromaticContact CE3-CD2 3.57Å; W404-F430 HydrophobicContact CE3-CD2 3.57Å; W404-F430 HydrophobicContact CE3-CE1 4.21Å; W404-F430 AromaticContact CE3-CE2 3.89Å; W404-F430 HydrophobicContact CE3-CE2 3.89Å; W404-F430 AromaticContact CE3-CG 3.61Å; W404-F430 HydrophobicContact CE3-CG 3.61Å; W404-F430 HydrophobicContact CE3-CZ 4.21Å; W404-F430 HydrophobicContact CZ3-CB 4Å; W404-F430 AromaticContact CZ3-CD2 3.68Å; W404-F430 HydrophobicContact CZ3-CD2 3.68Å; W404-F430 HydrophobicContact CZ3-CE2 4.32Å; W404-F430 AromaticContact CZ3-CG 3.87Å; W404-F430 HydrophobicContact CZ3-CG 3.87Å; F407-F430 HydrophobicContact CB-CE2 3.87Å; F407-F430 HydrophobicContact CB-CZ 4.02Å; F407-F430 HydrophobicContact CD1-CE2 4.21Å; F407-F430 HydrophobicContact CD2-CE2 4.05Å; F407-F430 AromaticContact CG-CE2 3.78Å; F407-F430 HydrophobicContact CG-CE2 3.78Å; F407-F430 HydrophobicContact CG-CZ 4.43Å; F426-F430 HydrophobicContact CB-CD2 4.39Å; F426-F430 HydrophobicContact CB-CE2 4.16Å; F426-F430 HydrophobicContact CD1-CE2 4.35Å; F426-F430 WeakPolarHBondContact O-CD2 3.4Å; F426-F430 WeakPolarHBondContact O-CG 3.42Å; F426-F430 PolarHBondContact O-N 3.33Å; L427-F430 PolarHBondContact O-N 3.29Å; F430-S432 VanDerWaalsContact C-N 3.3Å; F430-S432 PolarHBondContact O-N 3.47Å; F430-L433 PolarHBondContact O-N 3.11Å; F430-L433 VanDerWaalsContact O-N 3.15Å; F430-E434 WeakPolarHBondContact O-CB 3.14Å; F430-E434 WeakPolarHBondContact O-CG 3.31Å; F430-E434 PolarHBondContact O-N 3.35Å
431T98.1Very high96.4Very high83 Ų8346.2 Ų46.251%0.50925%0.252SS..Hα-helixtrans-55.8-46.4179.4-56.50000111.3L427 D428 L433 E434 Q435L427-T431 WeakPolarHBondContact O-CB 3.42Å; L427-T431 PolarHBondContact O-N 3.48Å; L427-T431 PolarHBondContact O-OG1 3.36Å; D428-T431 PolarHBondContact O-N 3.23Å; T431-L433 PolarHBondContact O-N 3.47Å; T431-E434 PolarHBondContact O-N 3.38Å; T431-Q435 PolarHBondContact O-N 2.91Å
432S97.2Very high96Very high26 Ų2650.8 Ų50.818%0.18227%0.273CS..Hα-helixtrans-60.9-44.6178.5-179.60000112.2D428 F430 Q435 V436D428-S432 WeakPolarHBondContact O-CB 3.35Å; D428-S432 PolarHBondContact O-N 3.02Å; F430-S432 VanDerWaalsContact C-N 3.3Å; F430-S432 PolarHBondContact O-N 3.47Å; S432-Q435 PolarHBondContact O-N 2.9Å; S432-V436 WeakPolarHBondContact O-CG2 3.48Å; S432-V436 PolarHBondContact O-N 3.17Å
433L97.6Very high95.3Very high3 Ų348.9 Ų48.92%0.01626%0.259CS..Hα-helixtrans-74.1-33.9179.8-66.6-175.4000113V181 L184 A185 M399 V400 S429 F430 T431 Q435 V436 I437V181-L433 HydrophobicContact CB-CD1 4.15Å; V181-L433 HydrophobicContact CG1-CD1 3.98Å; V181-L433 HydrophobicContact CG2-CD1 4.11Å; L184-L433 HydrophobicContact CB-CD1 4.18Å; L184-L433 HydrophobicContact CB-CD2 3.88Å; A185-L433 HydrophobicContact CB-CD2 4.45Å; A185-L433 HydrophobicContact CB-CG 4.26Å; M399-L433 HydrophobicContact CE-CD1 4.07Å; V400-L433 HydrophobicContact CG2-CB 3.94Å; V400-L433 HydrophobicContact CG2-CD1 3.96Å; S429-L433 WeakPolarHBondContact O-CG 3.14Å; S429-L433 PolarHBondContact O-N 3.08Å; S429-L433 VanDerWaalsContact O-N 3.15Å; F430-L433 PolarHBondContact O-N 3.11Å; F430-L433 VanDerWaalsContact O-N 3.15Å; T431-L433 PolarHBondContact O-N 3.47Å; L433-Q435 VanDerWaalsContact C-N 3.3Å; L433-V436 WeakPolarHBondContact O-CB 3.21Å; L433-V436 PolarHBondContact O-N 2.85Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.3Å; L433-I437 PolarHBondContact O-N 3.09Å
434E97Very high93.8Very high92 Ų9250.9 Ų50.943%0.4327%0.269SS..Hα-helixtrans-63.1-37.9172.6-75.2177.7176.400111.4V400 F430 T431 I437 S438V400-E434 HydrophobicContact CG1-CG 4.32Å; F430-E434 WeakPolarHBondContact O-CB 3.14Å; F430-E434 WeakPolarHBondContact O-CG 3.31Å; F430-E434 PolarHBondContact O-N 3.35Å; T431-E434 PolarHBondContact O-N 3.38Å; E434-I437 PolarHBondContact O-N 2.77Å; E434-S438 WeakPolarHBondContact O-CB 3.34Å; E434-S438 PolarHBondContact O-N 2.86Å
435Q96.3Very high93.6Very high109 Ų10946.7 Ų46.751%0.50925%0.25SS..Hα-helixtrans-61.6-45.1171.1-175178.6-4.200111.4T431 S432 L433 I437 S438 S439T431-Q435 PolarHBondContact O-N 2.91Å; S432-Q435 PolarHBondContact O-N 2.9Å; L433-Q435 VanDerWaalsContact C-N 3.3Å; Q435-I437 PolarHBondContact O-N 2.65Å; Q435-S438 WeakPolarHBondContact O-CB 2.89Å; Q435-S438 PolarHBondContact O-N 3.11Å; Q435-S439 PolarHBondContact O-N 3.22Å; Q435-S439 PolarHBondContact O-OG 2.99Å
436V96.1Very high93.5Very high9 Ų946 Ų466%0.05525%0.247CC..Hα-helixtrans-60.1-45.4175.7174.90000111.1Y188 L264 L396 S432 L433 S438 S439 Y440Y188-V436 HydrophobicContact CD1-CG2 3.9Å; Y188-V436 HydrophobicContact CD2-CG2 4.24Å; Y188-V436 HydrophobicContact CE1-CG2 3.62Å; Y188-V436 HydrophobicContact CE2-CG1 3.9Å; Y188-V436 HydrophobicContact CE2-CG2 4Å; Y188-V436 HydrophobicContact CG-CG2 4.2Å; L264-V436 HydrophobicContact CD1-CG1 4.29Å; L396-V436 HydrophobicContact CD2-CG1 4.05Å; S432-V436 WeakPolarHBondContact O-CG2 3.48Å; S432-V436 PolarHBondContact O-N 3.17Å; L433-V436 WeakPolarHBondContact O-CB 3.21Å; L433-V436 PolarHBondContact O-N 2.85Å; V436-S438 VanDerWaalsContact C-N 3.3Å; V436-S438 PolarHBondContact O-N 3.18Å; V436-S439 PolarHBondContact O-N 2.78Å; V436-Y440 HydrophobicContact CG1-CD2 3.76Å; V436-Y440 HydrophobicContact CG1-CE2 3.91Å; V436-Y440 WeakPolarHBondContact O-CD2 3.4Å; V436-Y440 PolarHBondContact O-N 3.23Å
437I95.9Very high93.2Very high23 Ų2348.6 Ų48.612%0.11826%0.261CS..Hα-helixtrans-57.4-46.1175.5-70.7165.2000110L393 L396 D397 V400 L433 E434 Q435 Y440 S441L393-I437 HydrophobicContact CD1-CB 4.22Å; L393-I437 HydrophobicContact CD1-CG1 4.44Å; L393-I437 HydrophobicContact CD1-CG2 3.82Å; L393-I437 WeakPolarHBondContact CD1-O 3.33Å; L396-I437 HydrophobicContact CD2-CG1 3.68Å; L396-I437 HydrophobicContact CG-CD1 4.09Å; L396-I437 HydrophobicContact CG-CG1 3.76Å; D397-I437 HydrophobicContact CB-CD1 4.22Å; V400-I437 HydrophobicContact CB-CD1 4.14Å; V400-I437 HydrophobicContact CG1-CD1 4.4Å; V400-I437 HydrophobicContact CG2-CD1 3.95Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.3Å; L433-I437 PolarHBondContact O-N 3.09Å; E434-I437 PolarHBondContact O-N 2.77Å; Q435-I437 PolarHBondContact O-N 2.65Å; I437-Y440 PolarHBondContact O-N 3.19Å; I437-S441 VanDerWaalsContact O-CB 3.31Å; I437-S441 WeakPolarHBondContact O-CB 3.48Å; I437-S441 PolarHBondContact O-N 3.19Å; I437-S441 PolarHBondContact O-OG 3.41Å
438S95Very high92.9Very high53 Ų5347.2 Ų47.237%0.37125%0.254SS..Hα-helixtrans-59.3-53177.4-165.30000111.2E434 Q435 V436 Y440 S441 E442E434-S438 WeakPolarHBondContact O-CB 3.34Å; E434-S438 PolarHBondContact O-N 2.86Å; Q435-S438 WeakPolarHBondContact O-CB 2.89Å; Q435-S438 PolarHBondContact O-N 3.11Å; V436-S438 VanDerWaalsContact C-N 3.3Å; V436-S438 PolarHBondContact O-N 3.18Å; S438-Y440 VanDerWaalsContact C-N 3.33Å; S438-Y440 PolarHBondContact O-N 3.4Å; S438-S441 PolarHBondContact O-N 3.27Å; S438-S441 VanDerWaalsContact O-N 3.08Å; S438-S441 PolarHBondContact O-OG 3.01Å; S438-E442 WeakPolarHBondContact O-CG 3.25Å; S438-E442 PolarHBondContact O-N 2.9Å
439S93.2Very high92.6Very high12 Ų1244.3 Ų44.38%0.08424%0.238CC..Hα-helixtrans-57.7-42.6-179.7-62.30000112.2E261 Y262 Q435 V436 E442E261-S439 PolarHBondContact OE2-OG 3Å; Y262-S439 VanDerWaalsContact CE1-O 3.31Å; Y262-S439 WeakPolarHBondContact CE1-O 3.31Å; Y262-S439 PolarHBondContact OH-O 2.86Å; Q435-S439 PolarHBondContact O-N 3.22Å; Q435-S439 PolarHBondContact O-OG 2.99Å; V436-S439 PolarHBondContact O-N 2.78Å; S439-E442 PolarHBondContact O-N 3.25Å
440Y93.6Very high92.3Very high4 Ų446.7 Ų46.72%0.01625%0.251CS..Hα-helixtrans-70.6-34.2176.3-87.6-85.5000113Y262 K263 L264 N388 S389 Q390 V436 I437 S438 E442 L443Y262-Y440 VanDerWaalsContact C-OH 3.28Å; Y262-Y440 WeakPolarHBondContact CA-OH 3.44Å; Y262-Y440 HydrophobicContact CD1-CD1 4.04Å; Y262-Y440 AromaticContact CD1-CD2 3.96Å; Y262-Y440 HydrophobicContact CD1-CD2 3.96Å; Y262-Y440 AromaticContact CD1-CE1 3.83Å; Y262-Y440 HydrophobicContact CD1-CE1 3.83Å; Y262-Y440 AromaticContact CD1-CE2 3.76Å; Y262-Y440 HydrophobicContact CD1-CE2 3.76Å; Y262-Y440 HydrophobicContact CD1-CG 4.1Å; Y262-Y440 AromaticContact CD1-CZ 3.68Å; Y262-Y440 HydrophobicContact CE1-CD1 4.44Å; Y262-Y440 HydrophobicContact CE1-CD2 4.34Å; Y262-Y440 HydrophobicContact CE1-CG 4.28Å; K263-Y440 PolarHBondContact N-OH 3.18Å; K263-Y440 VanDerWaalsContact N-OH 3.17Å; L264-Y440 HydrophobicContact CB-CE2 4.37Å; L264-Y440 HydrophobicContact CD1-CE2 4.13Å; L264-Y440 HydrophobicContact CG-CE2 4.23Å; L264-Y440 PolarHBondContact N-OH 3.35Å; L264-Y440 PolarHBondContact O-OH 2.77Å; N388-Y440 VanDerWaalsContact OD1-CE1 3.3Å; N388-Y440 WeakPolarHBondContact OD1-CE1 3.42Å; N388-Y440 PolarHBondContact OD1-OH 3.16Å; S389-Y440 WeakPolarHBondContact O-CE1 3.25Å; Q390-Y440 WeakPolarHBondContact CG-O 3.38Å; Q390-Y440 PolarHBondContact NE2-O 3.44Å; V436-Y440 HydrophobicContact CG1-CD2 3.76Å; V436-Y440 HydrophobicContact CG1-CE2 3.91Å; V436-Y440 WeakPolarHBondContact O-CD2 3.4Å; V436-Y440 PolarHBondContact O-N 3.23Å; I437-Y440 PolarHBondContact O-N 3.19Å; S438-Y440 VanDerWaalsContact C-N 3.33Å; S438-Y440 PolarHBondContact O-N 3.4Å; Y440-E442 PolarHBondContact O-N 3.12Å; Y440-L443 HydrophobicContact CD1-CD1 3.62Å; Y440-L443 HydrophobicContact CE1-CD1 4.14Å; Y440-L443 HydrophobicContact CG-CD1 4.41Å; Y440-L443 WeakPolarHBondContact O-CB 3.33Å; Y440-L443 PolarHBondContact O-N 3.5Å
441S91Very high91.8Very high57 Ų5750 Ų5040%0.39927%0.269SS..Hα-helixtrans-66.2-26.3175.779.20000112.6I437 S438I437-S441 VanDerWaalsContact O-CB 3.31Å; I437-S441 WeakPolarHBondContact O-CB 3.48Å; I437-S441 PolarHBondContact O-N 3.19Å; I437-S441 PolarHBondContact O-OG 3.41Å; S438-S441 PolarHBondContact O-N 3.27Å; S438-S441 VanDerWaalsContact O-N 3.08Å; S438-S441 PolarHBondContact O-OG 3.01Å
442E87.3Confident91.3Very high106 Ų10647.5 Ų47.550%0.49525%0.25SS..THydrogen-bonded Turntrans-90.93.4180-68.1-174.6165.900114.1S438 S439 Y440 Q444S438-E442 WeakPolarHBondContact O-CG 3.25Å; S438-E442 PolarHBondContact O-N 2.9Å; S439-E442 PolarHBondContact O-N 3.25Å; Y440-E442 PolarHBondContact O-N 3.12Å; E442-Q444 VanDerWaalsContact C-N 3.28Å; E442-Q444 PolarHBondContact O-N 2.79Å
443L82.8Confident90.9Very high5 Ų549.3 Ų49.33%0.02626%0.256CS..  trans-61.292.8169-72.9173.7000109.6Y262 T330 L332 W360 Q390 Y440Y262-L443 HydrophobicContact CD1-CD1 4.23Å; Y262-L443 HydrophobicContact CD1-CD2 4.17Å; Y262-L443 HydrophobicContact CD1-CG 4.39Å; Y262-L443 HydrophobicContact CE1-CD1 4.02Å; Y262-L443 HydrophobicContact CE1-CD2 3.57Å; Y262-L443 HydrophobicContact CE1-CG 3.72Å; Y262-L443 HydrophobicContact CE2-CD2 4.47Å; T330-L443 HydrophobicContact CG2-CB 4.42Å; L332-L443 HydrophobicContact CB-CD1 4.47Å; L332-L443 HydrophobicContact CB-CD2 4.23Å; W360-L443 HydrophobicContact CZ2-CD2 4.29Å; Q390-L443 HydrophobicContact CG-CB 4.27Å; Q390-L443 HydrophobicContact CG-CD1 4.14Å; Y440-L443 HydrophobicContact CD1-CD1 3.62Å; Y440-L443 HydrophobicContact CE1-CD1 4.14Å; Y440-L443 HydrophobicContact CG-CD1 4.41Å; Y440-L443 WeakPolarHBondContact O-CB 3.33Å; Y440-L443 PolarHBondContact O-N 3.5Å
444Q64.6Low90.2Very high118 Ų11853.5 Ų53.555%0.55128%0.278SS*.  trans-94.60-179.7-76.1-173.720.600112.2R319 T358 S359 E442R319-Q444 VanDerWaalsContact CD-OXT 3.25Å; R319-Q444 WeakPolarHBondContact CD-OXT 3.36Å; R319-Q444 PolarHBondContact NE-OXT 3.47Å; R319-Q444 PolarHBondContact NH1-OXT 3.44Å; T358-Q444 CarbonylContact C-O 3.58Å; T358-Q444 WeakPolarHBondContact CA-O 3.3Å; T358-Q444 WeakPolarHBondContact CB-O 3.23Å; T358-Q444 PolarHBondContact OG1-O 2.85Å; S359-Q444 PolarHBondContact N-O 3.39Å; S359-Q444 PolarHBondContact OG-O 2.89Å; E442-Q444 VanDerWaalsContact C-N 3.28Å; E442-Q444 PolarHBondContact O-N 2.79Å

Retrieved 444 of 444 residues in 744.8 ms (Link to these results)

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