A0A087XUC9_POEFO Loading...

Dephospho-CoA kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XUC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 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
1M93.5Very high94.1Very high9 Ų98.8 Ų8.84%0.0446%0.055CC..  01410-171176.971.300107.4L3 I99 F103 Y107 R108 V110 V205M1-L3 HydrophobicContact CE-CD2 4.35Å; M1-I99 HydrophobicContact CE-CB 4.48Å; M1-I99 HydrophobicContact CE-CG2 3.64Å; M1-I99 WeakPolarHBondContact CE-O 3.21Å; M1-F103 HydrophobicContact CB-CD2 3.76Å; M1-F103 HydrophobicContact CE-CB 3.99Å; M1-F103 HydrophobicContact SD-CB 4.41Å; M1-Y107 WeakPolarHBondContact CB-O 3.39Å; M1-Y107 WeakPolarHBondContact CG-O 3.5Å; M1-R108 CarbonylContact C-O 3.58Å; M1-R108 WeakPolarHBondContact CA-O 3.33Å; M1-V110 HydrophobicContact CE-CB 4.18Å; M1-V110 HydrophobicContact CE-CG1 3.52Å; M1-V110 HydrophobicContact SD-CB 3.96Å; M1-V110 HydrophobicContact SD-CG1 3.94Å; M1-V205 WeakPolarHBondContact O-CG2 3.32Å
2F95.6Very high94Very high1 Ų18.2 Ų8.20%0.0045%0.051CC..EExtended strand (participates in β ladder)trans-113.6163.7172.564.5-95.9000111.4V4 R108 Y109 V110 N128 H129 L196 D201 F202F2-V4 HydrophobicContact CD2-CG2 3.87Å; F2-V4 HydrophobicContact CE2-CG2 3.55Å; F2-R108 WeakPolarHBondContact CD1-O 3.14Å; F2-R108 PolarHBondContact N-O 3.45Å; F2-Y109 HydrophobicContact CE1-CD1 4.48Å; F2-Y109 VanDerWaalsContact CE2-CB 3.47Å; F2-Y109 HydrophobicContact CE2-CG 4.09Å; F2-Y109 HydrophobicContact CZ-CD1 4.01Å; F2-Y109 AromaticContact CZ-CG 4Å; F2-Y109 HydrophobicContact CZ-CG 4Å; F2-Y109 WeakPolarHBondContact O-CA 3.36Å; F2-Y109 WeakPolarHBondContact O-CB 3.42Å; F2-V110 PolarHBondContact O-N 3.02Å; F2-V110 VanDerWaalsContact O-N 3.15Å; F2-N128 HydrophobicContact CB-CB 4.07Å; F2-N128 WeakPolarHBondContact CB-OD1 3.48Å; F2-N128 HydrophobicContact CD2-CB 4.04Å; F2-N128 HydrophobicContact CG-CB 4.4Å; F2-H129 AromaticContact CD2-CD2 3.84Å; F2-H129 AromaticContact CE2-CD2 3.52Å; F2-L196 HydrophobicContact CE2-CD2 4.1Å; F2-L196 HydrophobicContact CZ-CB 4.35Å; F2-L196 HydrophobicContact CZ-CD2 4.39Å; F2-L196 WeakPolarHBondContact CZ-O 3.44Å; F2-D201 HydrophobicContact CB-CB 4.03Å; F2-D201 HydrophobicContact CD1-CB 3.7Å; F2-D201 HydrophobicContact CE1-CB 4.23Å; F2-D201 HydrophobicContact CG-CB 3.87Å; F2-F202 HydrophobicContact CD1-CB 3.88Å; F2-F202 HydrophobicContact CE1-CB 4.47Å
3L97.1Very high93.9Very high29 Ų298.8 Ų8.815%0.1526%0.06CC..EExtended strand (participates in β ladder)trans-104.5134.6-175.8-54.3-177.8000110.9M1 I99 V110 L112 F126 L127 N128 H129M1-L3 HydrophobicContact CE-CD2 4.35Å; L3-I99 HydrophobicContact CD1-CD1 4.3Å; L3-I99 HydrophobicContact CD2-CD1 4.21Å; L3-I99 HydrophobicContact CD2-CG1 4.29Å; L3-I99 HydrophobicContact CD2-CG2 4.01Å; L3-V110 HydrophobicContact CD2-CG1 3.37Å; L3-L112 HydrophobicContact CD1-CD1 4.32Å; L3-F126 HydrophobicContact CD1-CB 4.34Å; L3-L127 HydrophobicContact CB-CD2 3.6Å; L3-N128 PolarHBondContact N-OD1 3.16Å; L3-N128 PolarHBondContact O-N 3.32Å; L3-H129 PolarHBondContact O-N 3.29Å
4V97.8Very high94Very high2 Ų210.2 Ų10.21%0.0127%0.065CC..EExtended strand (participates in β ladder)trans-117.4121.7176.9-176.60000108.8F2 Y109 V110 V111 L112 H129 V131 L196F2-V4 HydrophobicContact CD2-CG2 3.87Å; F2-V4 HydrophobicContact CE2-CG2 3.55Å; V4-Y109 HydrophobicContact CG2-CD2 3.87Å; V4-Y109 HydrophobicContact CG2-CG 4.27Å; V4-V110 PolarHBondContact N-O 3.49Å; V4-V111 HydrophobicContact CB-CG2 4.39Å; V4-V111 CarbonylContact O-C 3.51Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.38Å; V4-L112 PolarHBondContact O-N 3.42Å; V4-H129 CarbonylContact C-O 3.42Å; V4-H129 VanDerWaalsContact CA-O 3.31Å; V4-H129 WeakPolarHBondContact CA-O 3.46Å; V4-H129 HydrophobicContact CG1-CB 4.14Å; V4-H129 HydrophobicContact CG2-CB 4.24Å; V4-V131 HydrophobicContact CG1-CG2 3.71Å; V4-L196 HydrophobicContact CG1-CD1 4.23Å; V4-L196 HydrophobicContact CG2-CD1 4.19Å; V4-L196 HydrophobicContact CG2-CD2 4.14Å
5G97.4Very high93.9Very high0 Ų015.1 Ų15.10%010%0.099CC..EExtended strand (participates in β ladder)trans-89.1121.6174.300000111.2L127 H129 T130 V131G5-L127 VanDerWaalsContact CA-CD1 3.5Å; G5-H129 PolarHBondContact N-O 2.93Å; G5-T130 CarbonylContact O-C 3.55Å; G5-T130 WeakPolarHBondContact O-CA 3.23Å; G5-V131 PolarHBondContact O-N 3.49Å
6L97.8Very high94Very high1 Ų116.6 Ų16.61%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-99.9125.7170.1-18067000109.2K14 V17 L21 V111 L112 V114 V131 V133L6-K14 HydrophobicContact CD2-CG 4.19Å; L6-K14 HydrophobicContact CG-CG 4.08Å; L6-V17 HydrophobicContact CD1-CG1 3.99Å; L6-V17 HydrophobicContact CD2-CG1 4.29Å; L6-L21 HydrophobicContact CD2-CD1 4.42Å; L6-V111 HydrophobicContact CB-CG1 3.51Å; L6-V111 HydrophobicContact CD2-CG1 4.28Å; L6-L112 PolarHBondContact N-O 2.94Å; L6-V114 PolarHBondContact O-N 3.21Å; L6-V131 WeakPolarHBondContact CA-O 3.46Å; L6-V131 HydrophobicContact CD1-CB 3.99Å; L6-V131 HydrophobicContact CD1-CG1 3.8Å; L6-V133 HydrophobicContact CD1-CG2 3.73Å
7T96.4Very high94.2Very high0 Ų015.6 Ų15.60%011%0.107CC..EExtended strand (participates in β ladder)trans-139.7173.2179-1600000111.4V114 P115 L117 F118 V131 V132 V133T7-V114 VanDerWaalsContact CB-O 3.29Å; T7-V114 WeakPolarHBondContact CB-O 3.29Å; T7-V114 PolarHBondContact OG1-O 2.92Å; T7-P115 PolarHBondContact OG1-O 2.96Å; T7-L117 HydrophobicContact CG2-CB 4.21Å; T7-L117 HydrophobicContact CG2-CD2 4.23Å; T7-F118 HydrophobicContact CG2-CD2 3.9Å; T7-F118 HydrophobicContact CG2-CE2 3.62Å; T7-V131 PolarHBondContact N-O 3.24Å; T7-V132 HydrophobicContact CG2-CB 4.15Å; T7-V132 HydrophobicContact CG2-CG2 4.14Å; T7-V132 CarbonylContact O-C 3.54Å; T7-V132 WeakPolarHBondContact O-CA 3.28Å; T7-V133 PolarHBondContact O-N 3.43Å
8G93.2Very high94.3Very high2 Ų214.8 Ų14.82%0.02110%0.101CC..EExtended strand (participates in β ladder)trans178.7167.2-178.900000110.7K168G8-K168 PolarHBondContact O-NZ 2.9Å
9G89.2Confident94.4Very high9 Ų916.7 Ų16.79%0.09312%0.115CC..  trans-77165.2171.700000111.6A11 S12 L165G9-A11 PolarHBondContact O-N 2.72Å; G9-S12 PolarHBondContact N-OG 2.97Å; G9-S12 VanDerWaalsContact O-CB 3.23Å; G9-S12 WeakPolarHBondContact O-CB 3.27Å; G9-S12 PolarHBondContact O-N 3.3Å; G9-S12 VanDerWaalsContact O-N 3.13Å; G9-S12 PolarHBondContact O-OG 2.96Å; G9-L165 VanDerWaalsContact N-CD1 3.28Å
10I87.9Confident94.6Very high30 Ų3016.2 Ų16.215%0.15411%0.11CC..THydrogen-bonded Turntrans-51.6136.9165.6-167.9170.9000110.1S12 Q140 L144 R158 V159I10-S12 PolarHBondContact O-N 3.44Å; I10-Q140 WeakPolarHBondContact O-CG 3.29Å; I10-Q140 PolarHBondContact O-NE2 2.78Å; I10-L144 HydrophobicContact CD1-CD1 3.55Å; I10-L144 HydrophobicContact CD1-CD2 4.02Å; I10-L144 HydrophobicContact CD1-CG 4.46Å; I10-L144 HydrophobicContact CG1-CD1 3.81Å; I10-L144 HydrophobicContact CG1-CD2 4.37Å; I10-L144 HydrophobicContact CG2-CD2 4.01Å; I10-R158 HydrophobicContact CD1-CB 4.46Å; I10-V159 HydrophobicContact CG2-CG2 3.86Å
11A89.8Confident94.7Very high14 Ų1415.6 Ų15.612%0.11611%0.106CC..THydrogen-bonded Turntrans57.713.6-177.700000116.6G9 G13 R143 L144G9-A11 PolarHBondContact O-N 2.72Å; A11-G13 PolarHBondContact O-N 2.98Å; A11-R143 HydrophobicContact CB-CB 4.02Å; A11-L144 HydrophobicContact CB-CB 3.79Å; A11-L144 HydrophobicContact CB-CD1 4.46Å
12S92.5Very high94.9Very high1 Ų120 Ų201%0.00712%0.122CC..SBendtrans-70-14175600000114.7G9 I10 V133 N178G9-S12 PolarHBondContact N-OG 2.97Å; G9-S12 VanDerWaalsContact O-CB 3.23Å; G9-S12 WeakPolarHBondContact O-CB 3.27Å; G9-S12 PolarHBondContact O-N 3.3Å; G9-S12 VanDerWaalsContact O-N 3.13Å; G9-S12 PolarHBondContact O-OG 2.96Å; I10-S12 PolarHBondContact O-N 3.44Å; S12-V133 WeakPolarHBondContact CB-O 3.33Å; S12-V133 WeakPolarHBondContact O-CG1 3.47Å; S12-N178 PolarHBondContact O-ND2 2.91Å
13G92.3Very high95Very high17 Ų1726.3 Ų26.318%0.17515%0.152CC..  trans82.721.8-175.600000114.9A11 S15 A16 V17 N178A11-G13 PolarHBondContact O-N 2.98Å; G13-S15 PolarHBondContact O-N 3.01Å; G13-A16 WeakPolarHBondContact O-CB 3.36Å; G13-A16 PolarHBondContact O-N 3.45Å; G13-V17 PolarHBondContact O-N 3.18Å; G13-N178 WeakPolarHBondContact CA-ND2 3.04Å
14K95.1Very high94.9Very high28 Ų2827.4 Ų27.412%0.12216%0.157CC..Hα-helixtrans-46.5-41.3170-175.3-179.664.267.80113.8L6 A16 V17 S18 D113 V133L6-K14 HydrophobicContact CD2-CG 4.19Å; L6-K14 HydrophobicContact CG-CG 4.08Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.02Å; K14-V17 PolarHBondContact O-N 2.94Å; K14-S18 VanDerWaalsContact O-CB 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.3Å; K14-S18 PolarHBondContact O-N 3.48Å; K14-D113 WeakPolarHBondContact CD-OD1 3.4Å; K14-D113 VanDerWaalsContact CE-OD1 3.31Å; K14-D113 WeakPolarHBondContact CE-OD1 3.16Å; K14-D113 VanDerWaalsContact NZ-CG 3.28Å; K14-D113 IonicContact NZ-OD1 2.98Å; K14-D113 PolarHBondContact NZ-OD1 3.39Å; K14-D113 IonicContact NZ-OD2 2.71Å; K14-D113 PolarHBondContact NZ-OD2 3.01Å; K14-V133 HydrophobicContact CB-CB 4.45Å; K14-V133 HydrophobicContact CB-CG2 4.39Å; K14-V133 HydrophobicContact CG-CG2 4.49Å
15S93.6Very high94.9Very high84 Ų8429.7 Ų29.759%0.58718%0.181SC*.Hα-helixtrans-63.7-35.9177.951.50000112.8G13 S18 S19G13-S15 PolarHBondContact O-N 3.01Å; S15-S18 PolarHBondContact O-N 3.01Å; S15-S19 PolarHBondContact O-N 2.91Å; S15-S19 PolarHBondContact O-OG 2.97Å; S15-S19 VanDerWaalsContact O-OG 3.11Å
16A94.9Very high94.8Very high39 Ų3930.1 Ų30.132%0.32218%0.184SC..Hα-helixtrans-65.8-46176.300000111G13 K14 S19 M20G13-A16 WeakPolarHBondContact O-CB 3.36Å; G13-A16 PolarHBondContact O-N 3.45Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.02Å; A16-S19 PolarHBondContact O-N 3.4Å; A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.41Å
17V97.2Very high94.8Very high0 Ų030.5 Ų30.50%019%0.186CC..Hα-helixtrans-61.8-43.9174.8168.10000111.7L6 G13 K14 S19 M20 L21 V133 I176 T185 V189L6-V17 HydrophobicContact CD1-CG1 3.99Å; L6-V17 HydrophobicContact CD2-CG1 4.29Å; G13-V17 PolarHBondContact O-N 3.18Å; K14-V17 PolarHBondContact O-N 2.94Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.49Å; V17-M20 PolarHBondContact O-N 3.43Å; V17-L21 HydrophobicContact CG1-CD1 4.14Å; V17-L21 WeakPolarHBondContact O-CG 3.22Å; V17-L21 PolarHBondContact O-N 3.3Å; V17-V133 HydrophobicContact CB-CG2 3.8Å; V17-V133 HydrophobicContact CG1-CG2 3.88Å; V17-V133 HydrophobicContact CG2-CB 4.45Å; V17-V133 HydrophobicContact CG2-CG1 3.83Å; V17-V133 HydrophobicContact CG2-CG2 3.73Å; V17-I176 HydrophobicContact CG1-CD1 3.5Å; V17-I176 HydrophobicContact CG2-CD1 4.36Å; V17-I176 HydrophobicContact CG2-CG2 3.88Å; V17-T185 HydrophobicContact CG2-CG2 3.8Å; V17-V189 HydrophobicContact CB-CG2 4.45Å; V17-V189 HydrophobicContact CG1-CG2 4Å; V17-V189 HydrophobicContact CG2-CG2 4.24Å
18S96.6Very high94.8Very high1 Ų131.2 Ų31.21%0.00719%0.19CC..Hα-helixtrans-58-44.2175.1-171.40000110.8K14 S15 L21 R22 I28 D113K14-S18 VanDerWaalsContact O-CB 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.3Å; K14-S18 PolarHBondContact O-N 3.48Å; S15-S18 PolarHBondContact O-N 3.01Å; S18-L21 PolarHBondContact O-N 3.29Å; S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 2.85Å; S18-R22 PolarHBondContact OG-NH1 3.11Å; S18-R22 VanDerWaalsContact OG-NH1 3.12Å; S18-R22 PolarHBondContact OG-NH2 3.31Å; S18-I28 WeakPolarHBondContact O-CD1 3.45Å; S18-D113 WeakPolarHBondContact CB-OD2 3.49Å; S18-D113 PolarHBondContact OG-OD2 3.39Å
19S96.5Very high95Very high51 Ų5131.1 Ų31.136%0.35719%0.189SC..Hα-helixtrans-64.1-45.3174.7-65.10000113.2S15 A16 V17 L21 R22 E23S15-S19 PolarHBondContact O-N 2.91Å; S15-S19 PolarHBondContact O-OG 2.97Å; S15-S19 VanDerWaalsContact O-OG 3.11Å; A16-S19 PolarHBondContact O-N 3.4Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.49Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 3.37Å; S19-R22 WeakPolarHBondContact O-CB 3.37Å; S19-R22 PolarHBondContact O-N 2.89Å; S19-R22 VanDerWaalsContact O-N 3.07Å; S19-E23 WeakPolarHBondContact O-CG 3.36Å; S19-E23 PolarHBondContact O-N 2.79Å
20M97.8Very high95.3Very high5 Ų532.3 Ų32.33%0.02519%0.193CC..Hα-helixtrans-59.5-41.1177-67.7170.8-175.500111.8A16 V17 R22 E23 L24 R182 T185 H186 V189A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.41Å; V17-M20 PolarHBondContact O-N 3.43Å; M20-R22 PolarHBondContact O-N 3.09Å; M20-E23 WeakPolarHBondContact O-CB 3.43Å; M20-E23 PolarHBondContact O-N 3.26Å; M20-L24 WeakPolarHBondContact O-CG 3.27Å; M20-L24 PolarHBondContact O-N 3.44Å; M20-R182 HydrophobicContact CE-CG 3.67Å; M20-T185 HydrophobicContact CE-CG2 4.35Å; M20-T185 HydrophobicContact SD-CG2 4.18Å; M20-H186 HydrophobicContact CE-CB 4.38Å; M20-H186 HydrophobicContact SD-CB 4.2Å; M20-V189 HydrophobicContact CB-CB 4.42Å; M20-V189 HydrophobicContact CB-CG1 3.89Å; M20-V189 HydrophobicContact CB-CG2 4.35Å; M20-V189 HydrophobicContact SD-CB 4.5Å; M20-V189 HydrophobicContact SD-CG2 3.98Å
21L97.6Very high95.5Very high4 Ų431.6 Ų31.62%0.02119%0.192CC..Hα-helixtrans-64.1-38.7174.8-75168.5000112.1L6 V17 S18 S19 L24 G25 C26 I28 V111 V189 H193L6-L21 HydrophobicContact CD2-CD1 4.42Å; V17-L21 HydrophobicContact CG1-CD1 4.14Å; V17-L21 WeakPolarHBondContact O-CG 3.22Å; V17-L21 PolarHBondContact O-N 3.3Å; S18-L21 PolarHBondContact O-N 3.29Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 3.37Å; L21-L24 PolarHBondContact O-N 2.87Å; L21-G25 PolarHBondContact O-N 3.25Å; L21-C26 HydrophobicContact CB-CB 4.14Å; L21-C26 WeakPolarHBondContact O-CB 3.41Å; L21-C26 PolarHBondContact O-N 3.36Å; L21-C26 PolarHBondContact O-SG 3.35Å; L21-I28 HydrophobicContact CB-CD1 3.83Å; L21-V111 HydrophobicContact CD1-CG2 4.45Å; L21-V189 HydrophobicContact CD2-CG1 3.73Å; L21-V189 HydrophobicContact CG-CG1 3.84Å; L21-H193 HydrophobicContact CD2-CB 4.46Å
22R96.9Very high95.6Very high101 Ų10134.6 Ų34.638%0.38121%0.206SC..Hα-helixtrans-62.9-41174-70.9-176.8-171.999.50.3112S18 S19 M20 L24 G25 I28S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 2.85Å; S18-R22 PolarHBondContact OG-NH1 3.11Å; S18-R22 VanDerWaalsContact OG-NH1 3.12Å; S18-R22 PolarHBondContact OG-NH2 3.31Å; S19-R22 WeakPolarHBondContact O-CB 3.37Å; S19-R22 PolarHBondContact O-N 2.89Å; S19-R22 VanDerWaalsContact O-N 3.07Å; M20-R22 PolarHBondContact O-N 3.09Å; R22-L24 PolarHBondContact O-N 3.11Å; R22-G25 WeakPolarHBondContact O-CA 3.31Å; R22-G25 PolarHBondContact O-N 3.23Å; R22-I28 HydrophobicContact CG-CB 4.26Å; R22-I28 HydrophobicContact CG-CD1 3.58Å; R22-I28 HydrophobicContact CG-CG1 3.77Å
23E97Very high95.6Very high135 Ų13537.3 Ų37.363%0.63122%0.223SC*.Hα-helixtrans-61-30.9177-71.1166-166.200111.9S19 M20 G25S19-E23 WeakPolarHBondContact O-CG 3.36Å; S19-E23 PolarHBondContact O-N 2.79Å; M20-E23 WeakPolarHBondContact O-CB 3.43Å; M20-E23 PolarHBondContact O-N 3.26Å; E23-G25 PolarHBondContact O-N 3.47Å
24L96.5Very high95.7Very high52 Ų5236.7 Ų36.727%0.27222%0.215SC..THydrogen-bonded Turntrans-804.6172.5-61171.5000113.8M20 L21 R22 V189 L190 H193M20-L24 WeakPolarHBondContact O-CG 3.27Å; M20-L24 PolarHBondContact O-N 3.44Å; L21-L24 PolarHBondContact O-N 2.87Å; R22-L24 PolarHBondContact O-N 3.11Å; L24-V189 HydrophobicContact CD1-CG1 3.95Å; L24-L190 HydrophobicContact CD1-CD2 3.86Å; L24-L190 HydrophobicContact CD2-CD2 3.54Å; L24-L190 HydrophobicContact CG-CD2 4.35Å; L24-H193 HydrophobicContact CD1-CB 3.92Å
25G96.1Very high95.5Very high49 Ų4937 Ų3751%0.50522%0.223SC..THydrogen-bonded Turntrans82.410.4179.500000114.9L21 R22 E23L21-G25 PolarHBondContact O-N 3.25Å; R22-G25 WeakPolarHBondContact O-CA 3.31Å; R22-G25 PolarHBondContact O-N 3.23Å; E23-G25 PolarHBondContact O-N 3.47Å
26C96.4Very high95.5Very high9 Ų939.3 Ų39.36%0.06122%0.219CC..  trans-70.2131.5177.6-56.50000110.5L21 I28 Y109 H193L21-C26 HydrophobicContact CB-CB 4.14Å; L21-C26 WeakPolarHBondContact O-CB 3.41Å; L21-C26 PolarHBondContact O-N 3.36Å; L21-C26 PolarHBondContact O-SG 3.35Å; C26-I28 PolarHBondContact O-N 3.32Å; C26-Y109 HydrophobicContact CB-CE2 4.37Å; C26-Y109 PolarHBondContact SG-OH 2.86Å; C26-H193 PolarHBondContact SG-ND1 2.96Å
27P97.1Very high95.5Very high9 Ų942.5 Ų42.56%0.05823%0.225CC..  trans-72.6129.3171.930.7-32000109.2Y102 Y107 Y109 V110 V111P27-Y102 HydrophobicContact CB-CD1 3.43Å; P27-Y102 VanDerWaalsContact CB-CD1 3.43Å; P27-Y102 HydrophobicContact CB-CD2 3.93Å; P27-Y102 HydrophobicContact CB-CE1 3.43Å; P27-Y102 VanDerWaalsContact CB-CE1 3.43Å; P27-Y102 HydrophobicContact CB-CE2 3.94Å; P27-Y102 HydrophobicContact CB-CG 3.69Å; P27-Y102 HydrophobicContact CG-CD1 4.23Å; P27-Y102 HydrophobicContact CG-CG 4.3Å; P27-Y107 HydrophobicContact CB-CD1 4.26Å; P27-Y107 HydrophobicContact CB-CE1 4.23Å; P27-Y107 VanDerWaalsContact CD-CD1 3.47Å; P27-Y107 HydrophobicContact CG-CD1 3.44Å; P27-Y107 VanDerWaalsContact CG-CD1 3.44Å; P27-Y107 HydrophobicContact CG-CE1 3.85Å; P27-Y107 HydrophobicContact CG-CG 3.82Å; P27-Y109 VanDerWaalsContact CG-O 3.23Å; P27-Y109 WeakPolarHBondContact CG-O 3.37Å; P27-V110 HydrophobicContact CB-CG2 4.05Å; P27-V110 HydrophobicContact CG-CB 4.06Å; P27-V110 HydrophobicContact CG-CG2 4.06Å; P27-V110 WeakPolarHBondContact O-CG2 3.29Å; P27-V111 PolarHBondContact O-N 3.3Å
28I97.4Very high95.4Very high15 Ų1543.2 Ų43.28%0.07723%0.23CC..EExtended strand (participates in β ladder)trans-123.7125.7179.4-52.4-161.4000109.8S18 L21 R22 C26 V111 D113S18-I28 WeakPolarHBondContact O-CD1 3.45Å; L21-I28 HydrophobicContact CB-CD1 3.83Å; R22-I28 HydrophobicContact CG-CB 4.26Å; R22-I28 HydrophobicContact CG-CD1 3.58Å; R22-I28 HydrophobicContact CG-CG1 3.77Å; C26-I28 PolarHBondContact O-N 3.32Å; I28-V111 CarbonylContact C-O 3.56Å; I28-V111 WeakPolarHBondContact CA-O 3.22Å; I28-V111 HydrophobicContact CG1-CB 4.15Å; I28-D113 HydrophobicContact CG2-CB 3.88Å
29I97.1Very high95.3Very high0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-103.6108.4172.1-58.2173.1000107.1V34 M95 E98 I99 Y102 V110 V111 L112 D113I29-V34 HydrophobicContact CG2-CG2 4.06Å; I29-M95 HydrophobicContact CG2-CE 4.2Å; I29-M95 HydrophobicContact CG2-CG 4.25Å; I29-E98 HydrophobicContact CD1-CB 3.62Å; I29-E98 HydrophobicContact CG1-CB 3.92Å; I29-E98 HydrophobicContact CG2-CB 4.46Å; I29-I99 HydrophobicContact CD1-CB 4.37Å; I29-I99 HydrophobicContact CD1-CG1 3.48Å; I29-I99 VanDerWaalsContact CD1-CG1 3.48Å; I29-Y102 HydrophobicContact CD1-CD2 4.2Å; I29-Y102 HydrophobicContact CD1-CE2 4.35Å; I29-Y102 HydrophobicContact CG1-CD2 4.28Å; I29-Y102 HydrophobicContact CG1-CE2 3.96Å; I29-V110 HydrophobicContact CD1-CG2 3.67Å; I29-V110 HydrophobicContact CG1-CG2 3.77Å; I29-V111 PolarHBondContact N-O 3.45Å; I29-L112 HydrophobicContact CB-CD2 3.9Å; I29-L112 HydrophobicContact CD1-CD2 3.85Å; I29-L112 HydrophobicContact CG1-CD2 4.33Å; I29-L112 HydrophobicContact CG2-CD2 4.42Å; I29-D113 PolarHBondContact O-N 2.85Å
30D95.4Very high95.2Very high34 Ų3446.4 Ų46.418%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-88.9113.1179.4-177.1-34.5000110.1D32 V33 V34D30-D32 VanDerWaalsContact C-N 3.27Å; D30-D32 PolarHBondContact O-N 3.08Å; D30-D32 WeakPolarHBondContact OD1-CA 3.32Å; D30-D32 WeakPolarHBondContact OD1-CB 3.36Å; D30-D32 PolarHBondContact OD1-N 3.11Å; D30-V33 HydrophobicContact CB-CB 3.94Å; D30-V33 HydrophobicContact CB-CG2 3.86Å; D30-V33 PolarHBondContact O-N 3.32Å; D30-V33 PolarHBondContact OD1-N 2.9Å; D30-V33 VanDerWaalsContact OD1-N 3.08Å; D30-V34 WeakPolarHBondContact O-CG2 3.37Å; D30-V34 PolarHBondContact O-N 3.19Å
31A92.1Very high95Very high15 Ų1548.2 Ų48.212%0.12425%0.253CS..Hα-helixtrans-64.4-31.9-176.200000112.7A35 M95 D113 V114A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.18Å; A31-M95 HydrophobicContact CB-CE 4.42Å; A31-M95 HydrophobicContact CB-SD 4.4Å; A31-D113 WeakPolarHBondContact CB-O 3.43Å; A31-D113 PolarHBondContact N-O 2.82Å; A31-V114 HydrophobicContact CB-CG2 4.02Å
32D90.5Very high94.7Very high78 Ų7856.7 Ų56.742%0.41729%0.292SS..Hα-helixtrans-70.4-42.9176.2-70.3-20.4000109.8D30 V34 A35 R36D30-D32 VanDerWaalsContact C-N 3.27Å; D30-D32 PolarHBondContact O-N 3.08Å; D30-D32 WeakPolarHBondContact OD1-CA 3.32Å; D30-D32 WeakPolarHBondContact OD1-CB 3.36Å; D30-D32 PolarHBondContact OD1-N 3.11Å; D32-V34 VanDerWaalsContact C-N 3.34Å; D32-V34 PolarHBondContact O-N 2.95Å; D32-A35 PolarHBondContact O-N 3.41Å; D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 3.4Å
33V93.5Very high94.7Very high58 Ų5853.4 Ų53.435%0.35228%0.283SS..Hα-helixtrans-62.4-42.8175.1174.30000111.1D30 R36 K37D30-V33 HydrophobicContact CB-CB 3.94Å; D30-V33 HydrophobicContact CB-CG2 3.86Å; D30-V33 PolarHBondContact O-N 3.32Å; D30-V33 PolarHBondContact OD1-N 2.9Å; D30-V33 VanDerWaalsContact OD1-N 3.08Å; V33-R36 WeakPolarHBondContact O-CB 3.25Å; V33-R36 PolarHBondContact O-N 3.43Å; V33-K37 HydrophobicContact CG1-CD 4.23Å; V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 2.83Å
34V94.5Very high94.6Very high3 Ų350.6 Ų50.62%0.01828%0.276CS..Hα-helixtrans-62.5-47.1176.2173.40000110.7I29 D30 D32 R36 K37 V38 I91 A94 M95I29-V34 HydrophobicContact CG2-CG2 4.06Å; D30-V34 WeakPolarHBondContact O-CG2 3.37Å; D30-V34 PolarHBondContact O-N 3.19Å; D32-V34 VanDerWaalsContact C-N 3.34Å; D32-V34 PolarHBondContact O-N 2.95Å; V34-R36 PolarHBondContact O-N 2.93Å; V34-K37 PolarHBondContact O-N 3.24Å; V34-K37 VanDerWaalsContact O-N 3.11Å; V34-V38 HydrophobicContact CG1-CG1 4.22Å; V34-V38 WeakPolarHBondContact O-CG1 3.36Å; V34-V38 PolarHBondContact O-N 2.97Å; V34-I91 HydrophobicContact CG1-CG2 4.26Å; V34-A94 HydrophobicContact CG1-CB 3.57Å; V34-M95 HydrophobicContact CB-CG 4.32Å; V34-M95 HydrophobicContact CG1-CG 3.91Å; V34-M95 HydrophobicContact CG2-CG 4.27Å
35A91.8Very high94.5Very high34 Ų3448.2 Ų48.228%0.28126%0.264SS..Hα-helixtrans-57.6-32.6177.400000112.8A31 D32 V38 I91A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.18Å; D32-A35 PolarHBondContact O-N 3.41Å; A35-V38 WeakPolarHBondContact O-CG2 3.48Å; A35-I91 HydrophobicContact CB-CD1 3.81Å; A35-I91 HydrophobicContact CB-CG1 4.3Å
36R92.7Very high94.6Very high134 Ų13447.4 Ų47.451%0.50625%0.246SC..Hα-helixtrans-71.7-45.3175.1-69176-178.5-1734112.4D32 V33 V34 V39 R66D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 3.4Å; V33-R36 WeakPolarHBondContact O-CB 3.25Å; V33-R36 PolarHBondContact O-N 3.43Å; V34-R36 PolarHBondContact O-N 2.93Å; R36-V39 WeakPolarHBondContact O-CG2 3.41Å; R36-V39 PolarHBondContact O-N 3.26Å; R36-R66 VanDerWaalsContact CB-NH2 3.27Å; R36-R66 VanDerWaalsContact CD-NH1 3.31Å; R36-R66 VanDerWaalsContact CG-NH1 3.3Å; R36-R66 VanDerWaalsContact CG-NH2 3.31Å
37K94.4Very high94.5Very high105 Ų10550.3 Ų50.346%0.45727%0.266SS..Hα-helixtrans-66-38.7-178.1-74176.7178.6177.90112.7V33 V34 V39 E40V33-K37 HydrophobicContact CG1-CD 4.23Å; V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 2.83Å; V34-K37 PolarHBondContact O-N 3.24Å; V34-K37 VanDerWaalsContact O-N 3.11Å; K37-V39 PolarHBondContact O-N 3.16Å; K37-V39 VanDerWaalsContact O-N 3.13Å; K37-E40 WeakPolarHBondContact O-CB 3.27Å; K37-E40 PolarHBondContact O-N 3.35Å; K37-E40 VanDerWaalsContact O-N 3.15Å
38V94.9Very high94.5Very high15 Ų1555.5 Ų55.59%0.09129%0.285CS..THydrogen-bonded Turntrans-67.5-16.3-176-62.80000113.3V34 A35 T43 A45 E90 I91 A94V34-V38 HydrophobicContact CG1-CG1 4.22Å; V34-V38 WeakPolarHBondContact O-CG1 3.36Å; V34-V38 PolarHBondContact O-N 2.97Å; A35-V38 WeakPolarHBondContact O-CG2 3.48Å; V38-T43 VanDerWaalsContact O-CB 3.27Å; V38-T43 WeakPolarHBondContact O-CB 3.37Å; V38-T43 PolarHBondContact O-OG1 2.64Å; V38-A45 VanDerWaalsContact O-CB 3.29Å; V38-A45 WeakPolarHBondContact O-CB 3.38Å; V38-E90 HydrophobicContact CB-CB 4.12Å; V38-E90 HydrophobicContact CG1-CB 4.35Å; V38-I91 HydrophobicContact CG2-CG1 3.64Å; V38-A94 HydrophobicContact CG1-CB 3.67Å
39V94.8Very high94.5Very high20 Ų2054.9 Ų54.912%0.12128%0.281CS..THydrogen-bonded Turntrans-108.512.1177.7-550000113.2R36 K37 A45 I49 I64 T87R36-V39 WeakPolarHBondContact O-CG2 3.41Å; R36-V39 PolarHBondContact O-N 3.26Å; K37-V39 PolarHBondContact O-N 3.16Å; K37-V39 VanDerWaalsContact O-N 3.13Å; V39-A45 HydrophobicContact CG1-CB 4.16Å; V39-I49 HydrophobicContact CB-CD1 4.1Å; V39-I49 HydrophobicContact CG1-CD1 3.66Å; V39-I64 HydrophobicContact CB-CD1 3.82Å; V39-I64 HydrophobicContact CG2-CD1 4.21Å; V39-I64 WeakPolarHBondContact O-CD1 3.48Å; V39-T87 HydrophobicContact CG1-CG2 3.86Å
40E94.3Very high94.4Very high99 Ų9955.7 Ų55.746%0.46329%0.286SS..SBendtrans-65.9157.4173.4-76.3176.1-177.100111.7K37 H42 T43 Y46K37-E40 WeakPolarHBondContact O-CB 3.27Å; K37-E40 PolarHBondContact O-N 3.35Å; K37-E40 VanDerWaalsContact O-N 3.15Å; E40-H42 PolarHBondContact O-N 3.02Å; E40-T43 HydrophobicContact CB-CG2 4.4Å; E40-T43 WeakPolarHBondContact O-CB 3.34Å; E40-T43 VanDerWaalsContact O-CG2 3.25Å; E40-T43 WeakPolarHBondContact O-CG2 3.38Å; E40-T43 PolarHBondContact O-N 3.48Å; E40-T43 PolarHBondContact O-OG1 3.32Å; E40-Y46 WeakPolarHBondContact O-CB 3.31Å
41P94.1Very high94.5Very high44 Ų4463.1 Ų63.129%0.28631%0.313SS..THydrogen-bonded Turntrans-49.4144.4176.5-28.236.1000112.5T43 Y46 Q63P41-T43 VanDerWaalsContact C-N 3.25Å; P41-T43 PolarHBondContact O-N 3.12Å; P41-Y46 HydrophobicContact CG-CE2 4.33Å; P41-Q63 HydrophobicContact CG-CG 4.16Å
42H91.8Very high94.6Very high182 Ų18266.5 Ų66.584%0.84333%0.326SS*.THydrogen-bonded Turntrans69.88.4-178.1-44.1-72000116.1E40E40-H42 PolarHBondContact O-N 3.02Å
43T95.4Very high94.8Very high31 Ų3163.4 Ų63.419%0.1931%0.309CS..SBendtrans-87.5157.416972.10000112.3V38 E40 P41 A45 Y46 S47V38-T43 VanDerWaalsContact O-CB 3.27Å; V38-T43 WeakPolarHBondContact O-CB 3.37Å; V38-T43 PolarHBondContact O-OG1 2.64Å; E40-T43 HydrophobicContact CB-CG2 4.4Å; E40-T43 WeakPolarHBondContact O-CB 3.34Å; E40-T43 VanDerWaalsContact O-CG2 3.25Å; E40-T43 WeakPolarHBondContact O-CG2 3.38Å; E40-T43 PolarHBondContact O-N 3.48Å; E40-T43 PolarHBondContact O-OG1 3.32Å; P41-T43 VanDerWaalsContact C-N 3.25Å; P41-T43 PolarHBondContact O-N 3.12Å; T43-A45 VanDerWaalsContact C-N 3.31Å; T43-A45 PolarHBondContact O-N 3.34Å; T43-Y46 WeakPolarHBondContact O-CB 3.36Å; T43-Y46 PolarHBondContact O-N 2.95Å; T43-Y46 VanDerWaalsContact OG1-CB 3.31Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.48Å; T43-Y46 PolarHBondContact OG1-N 2.59Å; T43-Y46 VanDerWaalsContact OG1-N 3.15Å; T43-S47 PolarHBondContact O-N 2.89Å; T43-S47 VanDerWaalsContact O-N 3.17Å; T43-S47 PolarHBondContact O-OG 3.3Å
44P94.9Very high94.9Very high77 Ų7762 Ų6250%0.531%0.306SS..Hα-helixtrans-58.4-39.6174.6-2635.1000113.6R48P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 2.85Å
45A95.9Very high94.8Very high1 Ų168.8 Ų68.81%0.00834%0.338CS..Hα-helixtrans-66.6-41178.300000111.1V38 V39 T43 R48 I49 I86 E90V38-A45 VanDerWaalsContact O-CB 3.29Å; V38-A45 WeakPolarHBondContact O-CB 3.38Å; V39-A45 HydrophobicContact CG1-CB 4.16Å; T43-A45 VanDerWaalsContact C-N 3.31Å; T43-A45 PolarHBondContact O-N 3.34Å; A45-R48 PolarHBondContact O-N 3.35Å; A45-I49 WeakPolarHBondContact O-CB 3.13Å; A45-I49 WeakPolarHBondContact O-CD1 3.39Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 2.98Å; A45-I86 HydrophobicContact CB-CG2 4.15Å; A45-E90 HydrophobicContact CB-CB 4.42Å; A45-E90 HydrophobicContact CB-CG 4.1Å
46Y96.8Very high94.9Very high33 Ų3372.5 Ų72.513%0.12935%0.349CS..Hα-helixtrans-56.7-52.3176.9172.4-89.8000111.5E40 P41 T43 R48 I49 V50 L58 G62 I64E40-Y46 WeakPolarHBondContact O-CB 3.31Å; P41-Y46 HydrophobicContact CG-CE2 4.33Å; T43-Y46 WeakPolarHBondContact O-CB 3.36Å; T43-Y46 PolarHBondContact O-N 2.95Å; T43-Y46 VanDerWaalsContact OG1-CB 3.31Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.48Å; T43-Y46 PolarHBondContact OG1-N 2.59Å; T43-Y46 VanDerWaalsContact OG1-N 3.15Å; Y46-R48 VanDerWaalsContact C-N 3.28Å; Y46-R48 PolarHBondContact O-N 3.44Å; Y46-I49 PolarHBondContact O-N 3.41Å; Y46-I49 VanDerWaalsContact O-N 3.13Å; Y46-V50 HydrophobicContact CD1-CG2 4.37Å; Y46-V50 HydrophobicContact CD2-CG2 4.46Å; Y46-V50 HydrophobicContact CE1-CG2 3.94Å; Y46-V50 HydrophobicContact CE2-CG2 4.03Å; Y46-V50 WeakPolarHBondContact O-CG2 3.31Å; Y46-V50 PolarHBondContact O-N 2.87Å; Y46-L58 HydrophobicContact CE2-CD2 3.73Å; Y46-G62 WeakPolarHBondContact CE2-O 3.47Å; Y46-G62 PolarHBondContact OH-O 3.48Å; Y46-I64 HydrophobicContact CD2-CD1 3.94Å; Y46-I64 HydrophobicContact CD2-CG1 3.84Å; Y46-I64 HydrophobicContact CE2-CG1 4Å
47S95.9Very high95Very high70 Ų7066.1 Ų66.149%0.4933%0.325SS..Hα-helixtrans-58.6-40.4179.9-60.80000112.4T43 Y51T43-S47 PolarHBondContact O-N 2.89Å; T43-S47 VanDerWaalsContact O-N 3.17Å; T43-S47 PolarHBondContact O-OG 3.3Å; S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.5Å
48R96.8Very high95Very high118 Ų11862.6 Ų62.645%0.44531%0.311SS..Hα-helixtrans-70.1-37.5177.6-69-177.771.7-173.12.2112.5P44 A45 Y46 Y51 H52 I86P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 2.85Å; A45-R48 PolarHBondContact O-N 3.35Å; Y46-R48 VanDerWaalsContact C-N 3.28Å; Y46-R48 PolarHBondContact O-N 3.44Å; R48-Y51 PolarHBondContact O-N 3.47Å; R48-H52 PolarHBondContact O-CD2 2.97Å; R48-H52 PolarHBondContact O-N 2.97Å; R48-H52 VanDerWaalsContact O-N 3.11Å; R48-I86 HydrophobicContact CB-CD1 4.24Å; R48-I86 HydrophobicContact CB-CG1 4.32Å; R48-I86 HydrophobicContact CB-CG2 3.69Å
49I96.3Very high95Very high1 Ų165.3 Ų65.31%0.00533%0.325CS..Hα-helixtrans-63.3-50.2175.3-69.6164.3000109.7V39 A45 Y46 Y51 H52 F53 V57 I64 L69 L83 I86 T87V39-I49 HydrophobicContact CB-CD1 4.1Å; V39-I49 HydrophobicContact CG1-CD1 3.66Å; A45-I49 WeakPolarHBondContact O-CB 3.13Å; A45-I49 WeakPolarHBondContact O-CD1 3.39Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 2.98Å; Y46-I49 PolarHBondContact O-N 3.41Å; Y46-I49 VanDerWaalsContact O-N 3.13Å; I49-Y51 VanDerWaalsContact C-N 3.28Å; I49-Y51 PolarHBondContact O-N 3.35Å; I49-H52 PolarHBondContact O-N 3.15Å; I49-F53 HydrophobicContact CG2-CD2 4.06Å; I49-F53 WeakPolarHBondContact O-CB 3.15Å; I49-F53 WeakPolarHBondContact O-CD2 3.47Å; I49-F53 PolarHBondContact O-N 2.65Å; I49-V57 HydrophobicContact CG2-CG2 4.28Å; I49-I64 HydrophobicContact CB-CD1 4.28Å; I49-I64 HydrophobicContact CD1-CD1 3.79Å; I49-I64 HydrophobicContact CG2-CD1 3.98Å; I49-L69 HydrophobicContact CG2-CD2 4.26Å; I49-L83 HydrophobicContact CD1-CD1 3.69Å; I49-L83 HydrophobicContact CG1-CD1 3.7Å; I49-I86 HydrophobicContact CG1-CG2 4.14Å; I49-T87 HydrophobicContact CD1-CG2 4.11Å
50V96.1Very high94.9Very high18 Ų1874.5 Ų74.511%0.10937%0.366CS..Hα-helixtrans-60.8-39.4179.1177.70000111.5Y46 H52 G54 L58Y46-V50 HydrophobicContact CD1-CG2 4.37Å; Y46-V50 HydrophobicContact CD2-CG2 4.46Å; Y46-V50 HydrophobicContact CE1-CG2 3.94Å; Y46-V50 HydrophobicContact CE2-CG2 4.03Å; Y46-V50 WeakPolarHBondContact O-CG2 3.31Å; Y46-V50 PolarHBondContact O-N 2.87Å; V50-H52 PolarHBondContact O-N 3.42Å; V50-G54 CarbonylContact O-C 3.6Å; V50-G54 WeakPolarHBondContact O-CA 3.47Å; V50-G54 PolarHBondContact O-N 3.05Å; V50-L58 HydrophobicContact CG1-CD1 4.29Å; V50-L58 HydrophobicContact CG2-CD1 4.07Å; V50-L58 HydrophobicContact CG2-CD2 3.77Å; V50-L58 HydrophobicContact CG2-CG 4.22Å
51Y96.2Very high94.8Very high190 Ų19074.7 Ų74.775%0.74537%0.37SS*.Hα-helixtrans-60.6-43.8176.2178.7-97000113.1S47 R48 I49S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.5Å; R48-Y51 PolarHBondContact O-N 3.47Å; I49-Y51 VanDerWaalsContact C-N 3.28Å; I49-Y51 PolarHBondContact O-N 3.35Å
52H95.8Very high94.7Very high86 Ų8673.8 Ų73.840%0.39837%0.369SS..Hα-helixtrans-87.3-30.2-175.3-76.4-66.9000114.6R48 I49 V50 L82R48-H52 PolarHBondContact O-CD2 2.97Å; R48-H52 PolarHBondContact O-N 2.97Å; R48-H52 VanDerWaalsContact O-N 3.11Å; I49-H52 PolarHBondContact O-N 3.15Å; V50-H52 PolarHBondContact O-N 3.42Å; H52-L82 HydrophobicContact CB-CD2 3.89Å
53F95Very high94.8Very high13 Ų1369.7 Ų69.76%0.05735%0.35CS..Hα-helixtrans-106.7-6.3-174.7-67.7-97.9000113I49 E56 V57 L69 I72 I73 K79 L82 L83I49-F53 HydrophobicContact CG2-CD2 4.06Å; I49-F53 WeakPolarHBondContact O-CB 3.15Å; I49-F53 WeakPolarHBondContact O-CD2 3.47Å; I49-F53 PolarHBondContact O-N 2.65Å; F53-E56 WeakPolarHBondContact O-CG 3.35Å; F53-V57 HydrophobicContact CB-CB 4.46Å; F53-V57 HydrophobicContact CB-CG1 3.86Å; F53-V57 HydrophobicContact CB-CG2 3.74Å; F53-L69 HydrophobicContact CD1-CD1 3.55Å; F53-L69 HydrophobicContact CE1-CD1 3.76Å; F53-L69 HydrophobicContact CG-CD1 3.96Å; F53-L69 HydrophobicContact CZ-CD1 4.35Å; F53-I72 HydrophobicContact CD1-CG2 4.25Å; F53-I72 HydrophobicContact CE1-CG2 4.3Å; F53-I73 HydrophobicContact CE1-CG2 3.98Å; F53-I73 HydrophobicContact CZ-CG2 4.35Å; F53-K79 HydrophobicContact CE1-CB 3.96Å; F53-K79 HydrophobicContact CE1-CD 4.35Å; F53-K79 HydrophobicContact CE1-CG 4.46Å; F53-K79 HydrophobicContact CZ-CB 4.34Å; F53-K79 WeakPolarHBondContact CZ-O 3.48Å; F53-L82 HydrophobicContact CE2-CD2 4.35Å; F53-L82 HydrophobicContact CE2-CG 4.44Å; F53-L83 HydrophobicContact CE2-CB 4.34Å; F53-L83 HydrophobicContact CE2-CD1 4.42Å; F53-L83 HydrophobicContact CZ-CB 3.93Å
54G94.1Very high94.8Very high28 Ų2869 Ų6929%0.28935%0.345SS..  trans77.9172.8-179.900000113.7V50 E56 V57V50-G54 CarbonylContact O-C 3.6Å; V50-G54 WeakPolarHBondContact O-CA 3.47Å; V50-G54 PolarHBondContact O-N 3.05Å; G54-E56 PolarHBondContact O-N 3.17Å; G54-V57 VanDerWaalsContact O-CG2 3.32Å; G54-V57 WeakPolarHBondContact O-CG2 3.42Å
55H93.8Very high94.8Very high146 Ų14667.2 Ų67.268%0.67633%0.331SS*.G310 helixtrans-70.4-11.6175.9-71.7-78.6000113.2V57 L58H55-V57 PolarHBondContact O-N 3.2Å; H55-L58 HydrophobicContact CB-CD1 4.38Å; H55-L58 WeakPolarHBondContact ND1-CD1 3.44Å; H55-L58 WeakPolarHBondContact O-CB 3.35Å; H55-L58 PolarHBondContact O-N 2.94Å; H55-L58 VanDerWaalsContact O-N 3.09Å
56E93.2Very high94.6Very high111 Ų11173.1 Ų73.152%0.51935%0.353SS..G310 helixtrans-63.1-23.5177.263.8-178.2-144.800113F53 G54 L58 K68F53-E56 WeakPolarHBondContact O-CG 3.35Å; G54-E56 PolarHBondContact O-N 3.17Å; E56-L58 PolarHBondContact O-N 3.13Å; E56-K68 WeakPolarHBondContact O-CD 3.43Å; E56-K68 WeakPolarHBondContact O-CE 3.44Å; E56-K68 PolarHBondContact O-NZ 3.32Å
57V94.5Very high94.2Very high0 Ų078.5 Ų78.50%038%0.379CS..G310 helixtrans-87.614176.3-58.10000113.3I49 F53 G54 H55 I64 D65 L69 I72I49-V57 HydrophobicContact CG2-CG2 4.28Å; F53-V57 HydrophobicContact CB-CB 4.46Å; F53-V57 HydrophobicContact CB-CG1 3.86Å; F53-V57 HydrophobicContact CB-CG2 3.74Å; G54-V57 VanDerWaalsContact O-CG2 3.32Å; G54-V57 WeakPolarHBondContact O-CG2 3.42Å; H55-V57 PolarHBondContact O-N 3.2Å; V57-I64 CarbonylContact O-C 3.49Å; V57-I64 WeakPolarHBondContact O-CA 3.4Å; V57-D65 PolarHBondContact O-N 3.05Å; V57-L69 HydrophobicContact CB-CB 4.44Å; V57-L69 HydrophobicContact CG1-CB 4.49Å; V57-L69 HydrophobicContact CG1-CD1 4.16Å; V57-I72 HydrophobicContact CG1-CD1 3.58Å
58L95.6Very high94.1Very high31 Ų3179 Ų7916%0.16237%0.373CS..BIsolated β-bridgetrans-105.6144.8176.8-59.2179000111.3Y46 V50 H55 E56 Q63 I64Y46-L58 HydrophobicContact CE2-CD2 3.73Å; V50-L58 HydrophobicContact CG1-CD1 4.29Å; V50-L58 HydrophobicContact CG2-CD1 4.07Å; V50-L58 HydrophobicContact CG2-CD2 3.77Å; V50-L58 HydrophobicContact CG2-CG 4.22Å; H55-L58 HydrophobicContact CB-CD1 4.38Å; H55-L58 WeakPolarHBondContact ND1-CD1 3.44Å; H55-L58 WeakPolarHBondContact O-CB 3.35Å; H55-L58 PolarHBondContact O-N 2.94Å; H55-L58 VanDerWaalsContact O-N 3.09Å; E56-L58 PolarHBondContact O-N 3.13Å; L58-Q63 CarbonylContact C-O 3.58Å; L58-Q63 WeakPolarHBondContact CA-O 3.36Å; L58-I64 HydrophobicContact CD2-CG1 4.13Å
59L94.3Very high93.9Very high73 Ų7374 Ų7438%0.38236%0.355SS..  trans-75.1164.9163.1-64.3174.9000109.9N61 G62 Q63 D65L59-N61 VanDerWaalsContact CB-OD1 3.27Å; L59-N61 WeakPolarHBondContact CB-OD1 3.15Å; L59-N61 PolarHBondContact O-N 3.34Å; L59-N61 VanDerWaalsContact O-N 3.16Å; L59-G62 PolarHBondContact O-N 3.01Å; L59-Q63 HydrophobicContact CD1-CB 4.35Å; L59-Q63 PolarHBondContact N-O 3.28Å; L59-D65 HydrophobicContact CD2-CB 3.74Å; L59-D65 HydrophobicContact CG-CB 3.91Å
60E91.8Very high93.6Very high212 Ų21274.5 Ų74.599%0.99136%0.36SS*.THydrogen-bonded Turntrans-58.1-30177.1-63-17817400113G62E60-G62 PolarHBondContact O-N 3.47Å
61N92.1Very high93.4Very high104 Ų10479.3 Ų79.356%0.55638%0.382SS*.THydrogen-bonded Turntrans-79.64.2176.771.7-0.8000113.8L59 Q63L59-N61 VanDerWaalsContact CB-OD1 3.27Å; L59-N61 WeakPolarHBondContact CB-OD1 3.15Å; L59-N61 PolarHBondContact O-N 3.34Å; L59-N61 VanDerWaalsContact O-N 3.16Å; N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 PolarHBondContact ND2-OE1 3.13Å; N61-Q63 PolarHBondContact O-N 2.9Å; N61-Q63 VanDerWaalsContact OD1-CB 3.28Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.43Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.42Å; N61-Q63 PolarHBondContact OD1-N 3.15Å
62G92.3Very high93.2Very high24 Ų2471.4 Ų71.425%0.24735%0.352CS..SBendtrans785.6-179.400000115.1Y46 L59 E60Y46-G62 WeakPolarHBondContact CE2-O 3.47Å; Y46-G62 PolarHBondContact OH-O 3.48Å; L59-G62 PolarHBondContact O-N 3.01Å; E60-G62 PolarHBondContact O-N 3.47Å
63Q94.3Very high93Very high97 Ų9768.5 Ų68.545%0.45334%0.339SS..SBendtrans-82.5157.6171.4-63.7-178.3-20.500111P41 L58 L59 N61 D65P41-Q63 HydrophobicContact CG-CG 4.16Å; L58-Q63 CarbonylContact C-O 3.58Å; L58-Q63 WeakPolarHBondContact CA-O 3.36Å; L59-Q63 HydrophobicContact CD1-CB 4.35Å; L59-Q63 PolarHBondContact N-O 3.28Å; N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 PolarHBondContact ND2-OE1 3.13Å; N61-Q63 PolarHBondContact O-N 2.9Å; N61-Q63 VanDerWaalsContact OD1-CB 3.28Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.43Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.42Å; N61-Q63 PolarHBondContact OD1-N 3.15Å; Q63-D65 PolarHBondContact O-N 3.47Å
64I94.9Very high92.5Very high16 Ų1675.9 Ų75.98%0.08237%0.372CS..BIsolated β-bridgetrans-66.6124.2173.8-66.7171.5000110.1V39 Y46 I49 V57 L58 R66 L69V39-I64 HydrophobicContact CB-CD1 3.82Å; V39-I64 HydrophobicContact CG2-CD1 4.21Å; V39-I64 WeakPolarHBondContact O-CD1 3.48Å; Y46-I64 HydrophobicContact CD2-CD1 3.94Å; Y46-I64 HydrophobicContact CD2-CG1 3.84Å; Y46-I64 HydrophobicContact CE2-CG1 4Å; I49-I64 HydrophobicContact CB-CD1 4.28Å; I49-I64 HydrophobicContact CD1-CD1 3.79Å; I49-I64 HydrophobicContact CG2-CD1 3.98Å; V57-I64 CarbonylContact O-C 3.49Å; V57-I64 WeakPolarHBondContact O-CA 3.4Å; L58-I64 HydrophobicContact CD2-CG1 4.13Å; I64-R66 PolarHBondContact O-N 3.11Å; I64-R66 VanDerWaalsContact O-N 3.11Å; I64-L69 HydrophobicContact CG2-CB 4.28Å; I64-L69 HydrophobicContact CG2-CD2 3.66Å
65D95.1Very high92.3Very high39 Ų3978 Ų7821%0.20939%0.386CS..  trans-7298.7166.1-175.9-17.8000109.1V57 L59 Q63 Q67 K68 L69V57-D65 PolarHBondContact O-N 3.05Å; L59-D65 HydrophobicContact CD2-CB 3.74Å; L59-D65 HydrophobicContact CG-CB 3.91Å; Q63-D65 PolarHBondContact O-N 3.47Å; D65-Q67 VanDerWaalsContact C-N 3.3Å; D65-Q67 PolarHBondContact O-N 2.84Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.48Å; D65-Q67 PolarHBondContact OD1-N 3.21Å; D65-K68 HydrophobicContact CB-CB 3.99Å; D65-K68 VanDerWaalsContact CG-CB 3.43Å; D65-K68 PolarHBondContact O-N 3.2Å; D65-K68 PolarHBondContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CB 3.23Å; D65-L69 VanDerWaalsContact O-CB 3.25Å; D65-L69 WeakPolarHBondContact O-CB 3.5Å; D65-L69 PolarHBondContact O-N 3.26Å
66R91.2Very high92.2Very high125 Ų12575.7 Ų75.747%0.47238%0.376SS..Hα-helixtrans-68.6-29.4-178.5-63.6-176.5-177.7160.75.8113.1R36 I64 G70R36-R66 VanDerWaalsContact CB-NH2 3.27Å; R36-R66 VanDerWaalsContact CD-NH1 3.31Å; R36-R66 VanDerWaalsContact CG-NH1 3.3Å; R36-R66 VanDerWaalsContact CG-NH2 3.31Å; I64-R66 PolarHBondContact O-N 3.11Å; I64-R66 VanDerWaalsContact O-N 3.11Å; R66-G70 WeakPolarHBondContact O-CA 3.48Å; R66-G70 PolarHBondContact O-N 3.25Å
67Q89.5Confident92.1Very high146 Ų14675.1 Ų75.168%0.68237%0.373SS*.Hα-helixtrans-69.8-48.1179.1-178.2174.4-19.300108.9D65 G70 Q71D65-Q67 VanDerWaalsContact C-N 3.3Å; D65-Q67 PolarHBondContact O-N 2.84Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.48Å; D65-Q67 PolarHBondContact OD1-N 3.21Å; Q67-G70 PolarHBondContact O-N 3.19Å; Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 3.03Å
68K93Very high92.2Very high80 Ų8083.1 Ų83.135%0.34841%0.411SS..Hα-helixtrans-66.8-46.4177.6-170.8166.3176.7-173.60112.6E56 D65 G70 Q71 I72E56-K68 WeakPolarHBondContact O-CD 3.43Å; E56-K68 WeakPolarHBondContact O-CE 3.44Å; E56-K68 PolarHBondContact O-NZ 3.32Å; D65-K68 HydrophobicContact CB-CB 3.99Å; D65-K68 VanDerWaalsContact CG-CB 3.43Å; D65-K68 PolarHBondContact O-N 3.2Å; D65-K68 PolarHBondContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CB 3.23Å; K68-G70 VanDerWaalsContact C-N 3.26Å; K68-G70 PolarHBondContact O-N 3.35Å; K68-Q71 PolarHBondContact O-N 3.48Å; K68-I72 HydrophobicContact CG-CD1 4.38Å; K68-I72 WeakPolarHBondContact O-CG1 3.48Å; K68-I72 PolarHBondContact O-N 3.37Å; K68-I72 VanDerWaalsContact O-N 3.11Å
69L93.6Very high92.1Very high13 Ų1385.5 Ų85.57%0.06842%0.42CS..Hα-helixtrans-59.4-41.3174.4-178.660.9000111.1I49 F53 V57 I64 D65 I72 I73 L83I49-L69 HydrophobicContact CG2-CD2 4.26Å; F53-L69 HydrophobicContact CD1-CD1 3.55Å; F53-L69 HydrophobicContact CE1-CD1 3.76Å; F53-L69 HydrophobicContact CG-CD1 3.96Å; F53-L69 HydrophobicContact CZ-CD1 4.35Å; V57-L69 HydrophobicContact CB-CB 4.44Å; V57-L69 HydrophobicContact CG1-CB 4.49Å; V57-L69 HydrophobicContact CG1-CD1 4.16Å; I64-L69 HydrophobicContact CG2-CB 4.28Å; I64-L69 HydrophobicContact CG2-CD2 3.66Å; D65-L69 VanDerWaalsContact O-CB 3.25Å; D65-L69 WeakPolarHBondContact O-CB 3.5Å; D65-L69 PolarHBondContact O-N 3.26Å; L69-I72 PolarHBondContact O-N 2.9Å; L69-I73 HydrophobicContact CD1-CG2 4.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.07Å; L69-L83 HydrophobicContact CD2-CD1 4.11Å; L69-L83 HydrophobicContact CD2-CD2 4.04Å; L69-L83 HydrophobicContact CG-CD2 4.24Å
70G90.3Very high92.1Very high12 Ų1286.7 Ų86.712%0.12442%0.419CS..Hα-helixtrans-55.3-53.6173.800000112.2R66 Q67 K68 I72 I73 F74R66-G70 WeakPolarHBondContact O-CA 3.48Å; R66-G70 PolarHBondContact O-N 3.25Å; Q67-G70 PolarHBondContact O-N 3.19Å; K68-G70 VanDerWaalsContact C-N 3.26Å; K68-G70 PolarHBondContact O-N 3.35Å; G70-I72 VanDerWaalsContact C-N 3.28Å; G70-I72 PolarHBondContact O-N 3.49Å; G70-I73 VanDerWaalsContact O-CG1 3.23Å; G70-I73 WeakPolarHBondContact O-CG1 3.25Å; G70-I73 PolarHBondContact O-N 3.4Å; G70-F74 WeakPolarHBondContact O-CB 3.42Å; G70-F74 WeakPolarHBondContact O-CD2 3.5Å; G70-F74 WeakPolarHBondContact O-CG 2.97Å; G70-F74 PolarHBondContact O-N 3.12Å
71Q90.9Very high92.1Very high119 Ų11984.1 Ų84.156%0.55640%0.4SS*.Hα-helixtrans-54.8-44.2178-71.9170.6-3.800112.1Q67 K68 F74 A75Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 3.03Å; K68-Q71 PolarHBondContact O-N 3.48Å; Q71-F74 PolarHBondContact O-N 3.3Å; Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.95Å; Q71-A75 VanDerWaalsContact O-N 3.08Å
72I91.6Very high92.2Very high24 Ų2482 Ų8212%0.12339%0.388CS..Hα-helixtrans-62.8-46.9179.4-66.4166.1000111.6F53 V57 K68 L69 G70 A75 H76 K79F53-I72 HydrophobicContact CD1-CG2 4.25Å; F53-I72 HydrophobicContact CE1-CG2 4.3Å; V57-I72 HydrophobicContact CG1-CD1 3.58Å; K68-I72 HydrophobicContact CG-CD1 4.38Å; K68-I72 WeakPolarHBondContact O-CG1 3.48Å; K68-I72 PolarHBondContact O-N 3.37Å; K68-I72 VanDerWaalsContact O-N 3.11Å; L69-I72 PolarHBondContact O-N 2.9Å; G70-I72 VanDerWaalsContact C-N 3.28Å; G70-I72 PolarHBondContact O-N 3.49Å; I72-A75 PolarHBondContact O-N 3.07Å; I72-H76 PolarHBondContact O-CD2 2.88Å; I72-H76 PolarHBondContact O-N 2.89Å; I72-H76 VanDerWaalsContact O-N 3.16Å; I72-K79 HydrophobicContact CG2-CD 3.32Å
73I92.3Very high92.4Very high26 Ų2681.6 Ų81.613%0.13338%0.38CS..Hα-helixtrans-76.2-24.8-178.267.2177.8000113F53 L69 G70 K79 R80 L83F53-I73 HydrophobicContact CE1-CG2 3.98Å; F53-I73 HydrophobicContact CZ-CG2 4.35Å; L69-I73 HydrophobicContact CD1-CG2 4.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.07Å; G70-I73 VanDerWaalsContact O-CG1 3.23Å; G70-I73 WeakPolarHBondContact O-CG1 3.25Å; G70-I73 PolarHBondContact O-N 3.4Å; I73-K79 HydrophobicContact CG2-CB 4.45Å; I73-R80 HydrophobicContact CB-CB 4.02Å; I73-R80 WeakPolarHBondContact O-CB 3.33Å; I73-L83 HydrophobicContact CD1-CD2 3.59Å; I73-L83 HydrophobicContact CG2-CB 4.27Å; I73-L83 HydrophobicContact CG2-CD2 3.92Å
74F84Confident92.3Very high168 Ų16879.7 Ų79.774%0.73737%0.374SS*.Hα-helixtrans-72.5-35.8172.9-79.4-61000111.6G70 Q71G70-F74 WeakPolarHBondContact O-CB 3.42Å; G70-F74 WeakPolarHBondContact O-CD2 3.5Å; G70-F74 WeakPolarHBondContact O-CG 2.97Å; G70-F74 PolarHBondContact O-N 3.12Å; Q71-F74 PolarHBondContact O-N 3.3Å
75A89.8Confident92.3Very high72 Ų7282 Ų8260%0.59539%0.391SS*.Hα-helixtrans-74.6-29.2176.800000113.4Q71 I72Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.95Å; Q71-A75 VanDerWaalsContact O-N 3.08Å; I72-A75 PolarHBondContact O-N 3.07Å
76H91.9Very high92.3Very high97 Ų9780.1 Ų80.145%0.44938%0.381SS..  trans-129.2109.2-173.3-58.8-70.3000112.7I72 E78 K79 R80I72-H76 PolarHBondContact O-CD2 2.88Å; I72-H76 PolarHBondContact O-N 2.89Å; I72-H76 VanDerWaalsContact O-N 3.16Å; H76-E78 VanDerWaalsContact C-N 3.31Å; H76-E78 PolarHBondContact O-N 3.16Å; H76-K79 HydrophobicContact CB-CB 3.97Å; H76-K79 HydrophobicContact CB-CD 4.01Å; H76-K79 HydrophobicContact CB-CG 3.86Å; H76-K79 PolarHBondContact O-N 3.44Å; H76-R80 PolarHBondContact O-N 3.28Å
77E91.9Very high92.4Very high99 Ų9974.9 Ų74.946%0.46336%0.363SS..Hα-helixtrans-59.6-39.2179.6176168.3-163.300113.2K79 R80 R81E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-R80 WeakPolarHBondContact O-CB 3.38Å; E77-R80 PolarHBondContact O-N 2.95Å; E77-R80 IonicContact OE1-NH2 2.64Å; E77-R81 VanDerWaalsContact CD-NH2 3.35Å; E77-R81 HydrophobicContact CG-CG 4.42Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.04Å; E77-R81 IonicContact OE1-CZ 3.42Å; E77-R81 IonicContact OE1-NE 2.68Å; E77-R81 PolarHBondContact OE1-NE 3.25Å; E77-R81 IonicContact OE1-NH2 3.68Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å; E77-R81 IonicContact OE2-NH2 3.89Å
78E95.4Very high92.5Very high169 Ų16970.1 Ų70.179%0.7934%0.34SS*.Hα-helixtrans-61.5-42.9178.3-63.9-173.216700111.7H76 R80 R81 L82H76-E78 VanDerWaalsContact C-N 3.31Å; H76-E78 PolarHBondContact O-N 3.16Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.47Å; E78-R81 PolarHBondContact O-N 3.36Å; E78-L82 PolarHBondContact O-N 2.9Å
79K94.4Very high92.5Very high81 Ų8169.6 Ų69.635%0.35235%0.345SS..Hα-helixtrans-65-38.4176-66.7-168.9178.6-178.50111.5F53 I72 I73 H76 E77 L82 L83F53-K79 HydrophobicContact CE1-CB 3.96Å; F53-K79 HydrophobicContact CE1-CD 4.35Å; F53-K79 HydrophobicContact CE1-CG 4.46Å; F53-K79 HydrophobicContact CZ-CB 4.34Å; F53-K79 WeakPolarHBondContact CZ-O 3.48Å; I72-K79 HydrophobicContact CG2-CD 3.32Å; I73-K79 HydrophobicContact CG2-CB 4.45Å; H76-K79 HydrophobicContact CB-CB 3.97Å; H76-K79 HydrophobicContact CB-CD 4.01Å; H76-K79 HydrophobicContact CB-CG 3.86Å; H76-K79 PolarHBondContact O-N 3.44Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.23Å; K79-L82 PolarHBondContact O-N 2.96Å; K79-L83 PolarHBondContact O-N 3.44Å
80R93.1Very high92.5Very high97 Ų9771.2 Ų71.237%0.36635%0.353SS..Hα-helixtrans-61.1-44.2172.6-175.1176.158.7-175.3-3.2112.1I73 H76 E77 E78 L82 L83 N84I73-R80 HydrophobicContact CB-CB 4.02Å; I73-R80 WeakPolarHBondContact O-CB 3.33Å; H76-R80 PolarHBondContact O-N 3.28Å; E77-R80 WeakPolarHBondContact O-CB 3.38Å; E77-R80 PolarHBondContact O-N 2.95Å; E77-R80 IonicContact OE1-NH2 2.64Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.47Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L83 PolarHBondContact O-N 2.86Å; R80-N84 VanDerWaalsContact O-CB 3.29Å; R80-N84 WeakPolarHBondContact O-CB 3.42Å; R80-N84 PolarHBondContact O-N 3.35Å; R80-N84 PolarHBondContact O-ND2 3.45Å
81R92Very high92.6Very high159 Ų15971.9 Ų71.960%0.635%0.353SS*.Hα-helixtrans-63.5-40.7176.5-70.1177.2-174.9-175.72.8111.4E77 E78 N84 S85E77-R81 VanDerWaalsContact CD-NH2 3.35Å; E77-R81 HydrophobicContact CG-CG 4.42Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.04Å; E77-R81 IonicContact OE1-CZ 3.42Å; E77-R81 IonicContact OE1-NE 2.68Å; E77-R81 PolarHBondContact OE1-NE 3.25Å; E77-R81 IonicContact OE1-NH2 3.68Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å; E77-R81 IonicContact OE2-NH2 3.89Å; E78-R81 PolarHBondContact O-N 3.36Å; R81-N84 PolarHBondContact O-N 3.18Å; R81-S85 PolarHBondContact O-N 3.36Å
82L95.4Very high92.7Very high58 Ų5870.6 Ų70.630%0.30435%0.347SS..Hα-helixtrans-63.8-47.9175.4179.461.1000112.2H52 F53 E78 K79 R80 N84 S85 I86H52-L82 HydrophobicContact CB-CD2 3.89Å; F53-L82 HydrophobicContact CE2-CD2 4.35Å; F53-L82 HydrophobicContact CE2-CG 4.44Å; E78-L82 PolarHBondContact O-N 2.9Å; K79-L82 PolarHBondContact O-N 2.96Å; R80-L82 VanDerWaalsContact C-N 3.34Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.45Å; L82-S85 PolarHBondContact O-N 2.56Å; L82-S85 PolarHBondContact O-OG 2.93Å; L82-I86 HydrophobicContact CD1-CD1 4.22Å; L82-I86 HydrophobicContact CG-CD1 4.18Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.23Å; L82-I86 VanDerWaalsContact O-N 3.13Å
83L95.1Very high92.8Very high16 Ų1676.2 Ų76.28%0.08437%0.37CS..Hα-helixtrans-58.1-45.1176.3-179.264.4000110.9I49 F53 L69 I73 K79 R80 S85 I86 T87I49-L83 HydrophobicContact CD1-CD1 3.69Å; I49-L83 HydrophobicContact CG1-CD1 3.7Å; F53-L83 HydrophobicContact CE2-CB 4.34Å; F53-L83 HydrophobicContact CE2-CD1 4.42Å; F53-L83 HydrophobicContact CZ-CB 3.93Å; L69-L83 HydrophobicContact CD2-CD1 4.11Å; L69-L83 HydrophobicContact CD2-CD2 4.04Å; L69-L83 HydrophobicContact CG-CD2 4.24Å; I73-L83 HydrophobicContact CD1-CD2 3.59Å; I73-L83 HydrophobicContact CG2-CB 4.27Å; I73-L83 HydrophobicContact CG2-CD2 3.92Å; K79-L83 PolarHBondContact O-N 3.44Å; R80-L83 PolarHBondContact O-N 2.86Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 2.91Å; L83-I86 PolarHBondContact O-N 3.4Å; L83-T87 HydrophobicContact CD1-CG2 3.91Å; L83-T87 HydrophobicContact CG-CG2 4.28Å; L83-T87 WeakPolarHBondContact O-CG2 3.48Å; L83-T87 PolarHBondContact O-N 3.27Å; L83-T87 PolarHBondContact O-OG1 3.28Å
84N92.6Very high93Very high58 Ų5876.3 Ų76.331%0.3138%0.375SS..Hα-helixtrans-62.7-36.7178.3-77.1-9.3000112.9R80 R81 L82 I86 H88R80-N84 VanDerWaalsContact O-CB 3.29Å; R80-N84 WeakPolarHBondContact O-CB 3.42Å; R80-N84 PolarHBondContact O-N 3.35Å; R80-N84 PolarHBondContact O-ND2 3.45Å; R81-N84 PolarHBondContact O-N 3.18Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.45Å; N84-I86 VanDerWaalsContact C-N 3.3Å; N84-H88 VanDerWaalsContact CB-CE1 3.46Å; N84-H88 WeakPolarHBondContact CB-CE1 3.41Å; N84-H88 VanDerWaalsContact O-CB 3.28Å; N84-H88 WeakPolarHBondContact O-CB 3.4Å; N84-H88 PolarHBondContact O-N 2.62Å; N84-H88 PolarHBondContact O-ND1 3.13Å
85S94.8Very high93.5Very high63 Ų6368.9 Ų68.944%0.44134%0.343SS..Hα-helixtrans-71.6-27.4177.875.30000112.6R81 L82 L83 P89R81-S85 PolarHBondContact O-N 3.36Å; L82-S85 PolarHBondContact O-N 2.56Å; L82-S85 PolarHBondContact O-OG 2.93Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 2.91Å; S85-P89 VanDerWaalsContact O-CD 3.29Å; S85-P89 WeakPolarHBondContact O-CD 3.2Å; S85-P89 WeakPolarHBondContact O-CG 3.23Å
86I94.9Very high93.8Very high1 Ų170.1 Ų70.11%0.00534%0.339CS..Hα-helixtrans-76.4-46.8173.5-64.1164.1000110.9A45 R48 I49 L82 L83 N84A45-I86 HydrophobicContact CB-CG2 4.15Å; R48-I86 HydrophobicContact CB-CD1 4.24Å; R48-I86 HydrophobicContact CB-CG1 4.32Å; R48-I86 HydrophobicContact CB-CG2 3.69Å; I49-I86 HydrophobicContact CG1-CG2 4.14Å; L82-I86 HydrophobicContact CD1-CD1 4.22Å; L82-I86 HydrophobicContact CG-CD1 4.18Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.23Å; L82-I86 VanDerWaalsContact O-N 3.13Å; L83-I86 PolarHBondContact O-N 3.4Å; N84-I86 VanDerWaalsContact C-N 3.3Å
87T93.8Very high94Very high15 Ų1573.2 Ų73.29%0.09235%0.351CS..Hα-helixtrans-83.4-40.5-169.556.70000113.6V39 I49 L83 E90 I91V39-T87 HydrophobicContact CG1-CG2 3.86Å; I49-T87 HydrophobicContact CD1-CG2 4.11Å; L83-T87 HydrophobicContact CD1-CG2 3.91Å; L83-T87 HydrophobicContact CG-CG2 4.28Å; L83-T87 WeakPolarHBondContact O-CG2 3.48Å; L83-T87 PolarHBondContact O-N 3.27Å; L83-T87 PolarHBondContact O-OG1 3.28Å; T87-E90 PolarHBondContact O-N 3.3Å; T87-E90 VanDerWaalsContact O-N 3.14Å; T87-I91 VanDerWaalsContact O-CG1 3.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 3.22Å
88H91.8Very high94.3Very high45 Ų4570.9 Ų70.921%0.20834%0.34CS..Hα-helixtrans-56.9-44.2-174-69150.9000114.5N84 E90 I91 H92 R122N84-H88 VanDerWaalsContact CB-CE1 3.46Å; N84-H88 WeakPolarHBondContact CB-CE1 3.41Å; N84-H88 VanDerWaalsContact O-CB 3.28Å; N84-H88 WeakPolarHBondContact O-CB 3.4Å; N84-H88 PolarHBondContact O-N 2.62Å; N84-H88 PolarHBondContact O-ND1 3.13Å; H88-E90 VanDerWaalsContact C-N 3.33Å; H88-E90 PolarHBondContact O-N 3.17Å; H88-I91 PolarHBondContact O-N 3.14Å; H88-H92 VanDerWaalsContact O-CG 3.24Å; H88-H92 PolarHBondContact O-N 3.1Å; H88-R122 PolarHBondContact CD2-NH1 3.26Å; H88-R122 PolarHBondContact CE1-NH1 3.34Å; H88-R122 PolarHBondContact CE1-NH2 3.42Å; H88-R122 VanDerWaalsContact CE1-NH2 3.33Å; H88-R122 PolarHBondContact ND1-NH1 3.43Å; H88-R122 VanDerWaalsContact ND1-NH1 3.15Å; H88-R122 PolarHBondContact NE2-NH1 3.48Å
89P92.3Very high94.3Very high69 Ų6964.2 Ų64.245%0.44831%0.31SS..Hα-helixtrans-60.5-41.9177.6-23.435.2000112.7S85 H92 K93S85-P89 VanDerWaalsContact O-CD 3.29Å; S85-P89 WeakPolarHBondContact O-CD 3.2Å; S85-P89 WeakPolarHBondContact O-CG 3.23Å; P89-H92 PolarHBondContact O-N 2.94Å; P89-K93 WeakPolarHBondContact O-CB 3.19Å; P89-K93 PolarHBondContact O-N 3Å
90E94.5Very high94.3Very high48 Ų4864.2 Ų64.222%0.22431%0.313CS..Hα-helixtrans-69.8-38.6179.8-62.5-56.514200111.7V38 A45 T87 H88 K93 A94V38-E90 HydrophobicContact CB-CB 4.12Å; V38-E90 HydrophobicContact CG1-CB 4.35Å; A45-E90 HydrophobicContact CB-CB 4.42Å; A45-E90 HydrophobicContact CB-CG 4.1Å; T87-E90 PolarHBondContact O-N 3.3Å; T87-E90 VanDerWaalsContact O-N 3.14Å; H88-E90 VanDerWaalsContact C-N 3.33Å; H88-E90 PolarHBondContact O-N 3.17Å; E90-K93 PolarHBondContact O-N 3.2Å; E90-A94 WeakPolarHBondContact O-CB 3.21Å; E90-A94 PolarHBondContact O-N 2.92Å
91I93.1Very high94.5Very high26 Ų2664.4 Ų64.413%0.13332%0.316CS..Hα-helixtrans-59.7-50.7173-65.5171.6000110.2V34 A35 V38 T87 H88 K93 A94 M95V34-I91 HydrophobicContact CG1-CG2 4.26Å; A35-I91 HydrophobicContact CB-CD1 3.81Å; A35-I91 HydrophobicContact CB-CG1 4.3Å; V38-I91 HydrophobicContact CG2-CG1 3.64Å; T87-I91 VanDerWaalsContact O-CG1 3.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 3.22Å; H88-I91 PolarHBondContact O-N 3.14Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.81Å; I91-A94 PolarHBondContact O-N 2.8Å; I91-M95 HydrophobicContact CG2-CG 4.34Å; I91-M95 HydrophobicContact CG2-SD 4.08Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 3.02Å
92H92Very high94.8Very high92 Ų9259 Ų5943%0.42630%0.296SS..Hα-helixtrans-61-41.9-179.6-67.1171.6000111.7H88 P89 L96H88-H92 VanDerWaalsContact O-CG 3.24Å; H88-H92 PolarHBondContact O-N 3.1Å; P89-H92 PolarHBondContact O-N 2.94Å; H92-L96 VanDerWaalsContact O-CB 3.26Å; H92-L96 WeakPolarHBondContact O-CB 3.33Å; H92-L96 PolarHBondContact O-N 2.83Å
93K94.3Very high94.7Very high141 Ų14159.2 Ų59.261%0.61330%0.295SS*.Hα-helixtrans-62.6-44.6176.8-175.8-179.5178.3-176.30111.9P89 E90 I91 L96 K97P89-K93 WeakPolarHBondContact O-CB 3.19Å; P89-K93 PolarHBondContact O-N 3Å; E90-K93 PolarHBondContact O-N 3.2Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.81Å; K93-L96 PolarHBondContact O-N 3.27Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.15Å
94A95.8Very high94.7Very high28 Ų2864.9 Ų64.923%0.23132%0.324CS..Hα-helixtrans-65.3-46.1178.400000111.9V34 V38 E90 I91 L96 K97 E98V34-A94 HydrophobicContact CG1-CB 3.57Å; V38-A94 HydrophobicContact CG1-CB 3.67Å; E90-A94 WeakPolarHBondContact O-CB 3.21Å; E90-A94 PolarHBondContact O-N 2.92Å; I91-A94 PolarHBondContact O-N 2.8Å; A94-L96 PolarHBondContact O-N 3.5Å; A94-K97 WeakPolarHBondContact O-CB 3.39Å; A94-K97 PolarHBondContact O-N 2.87Å; A94-E98 PolarHBondContact O-N 3.22Å; A94-E98 VanDerWaalsContact O-N 3.12Å
95M95.3Very high94.8Very high12 Ų1270 Ų706%0.05934%0.339CS..Hα-helixtrans-60-45.6174.7-70-173.973.500111.6I29 A31 V34 I91 K97 E98 I99 L112 L123I29-M95 HydrophobicContact CG2-CE 4.2Å; I29-M95 HydrophobicContact CG2-CG 4.25Å; A31-M95 HydrophobicContact CB-CE 4.42Å; A31-M95 HydrophobicContact CB-SD 4.4Å; V34-M95 HydrophobicContact CB-CG 4.32Å; V34-M95 HydrophobicContact CG1-CG 3.91Å; V34-M95 HydrophobicContact CG2-CG 4.27Å; I91-M95 HydrophobicContact CG2-CG 4.34Å; I91-M95 HydrophobicContact CG2-SD 4.08Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 3.02Å; M95-K97 VanDerWaalsContact C-N 3.29Å; M95-K97 PolarHBondContact O-N 3.49Å; M95-E98 PolarHBondContact O-N 2.64Å; M95-I99 VanDerWaalsContact O-CG1 3.29Å; M95-I99 WeakPolarHBondContact O-CG1 3.3Å; M95-I99 PolarHBondContact O-N 3.21Å; M95-L112 HydrophobicContact CE-CD1 4.26Å; M95-L112 HydrophobicContact CE-CD2 4.16Å; M95-L123 HydrophobicContact CE-CD1 4.16Å
96L94.9Very high94.7Very high98 Ų9868.9 Ų68.951%0.51334%0.338SS..Hα-helixtrans-60.7-39.5178.1-178.961.8000111.7H92 K93 A94 E98 I99 I100H92-L96 VanDerWaalsContact O-CB 3.26Å; H92-L96 WeakPolarHBondContact O-CB 3.33Å; H92-L96 PolarHBondContact O-N 2.83Å; K93-L96 PolarHBondContact O-N 3.27Å; A94-L96 PolarHBondContact O-N 3.5Å; L96-E98 PolarHBondContact O-N 2.55Å; L96-I99 PolarHBondContact O-N 3.02Å; L96-I100 HydrophobicContact CD1-CD1 4.11Å; L96-I100 HydrophobicContact CD1-CG1 4.26Å; L96-I100 HydrophobicContact CG-CD1 3.9Å; L96-I100 HydrophobicContact CG-CG1 4.46Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.5Å; L96-I100 PolarHBondContact O-N 3.26Å
97K96.4Very high94.7Very high162 Ų16272.9 Ų72.970%0.70435%0.353SS*.Hα-helixtrans-60.8-44175.8-172.9-179.3178.8-176.90111.7K93 A94 M95 I100 F101K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.15Å; A94-K97 WeakPolarHBondContact O-CB 3.39Å; A94-K97 PolarHBondContact O-N 2.87Å; M95-K97 VanDerWaalsContact C-N 3.29Å; M95-K97 PolarHBondContact O-N 3.49Å; K97-I100 PolarHBondContact O-N 3.15Å; K97-F101 WeakPolarHBondContact O-CB 3.48Å; K97-F101 PolarHBondContact O-N 3.23Å
98E97.4Very high94.8Very high50 Ų5075.9 Ų75.923%0.23436%0.363CS..Hα-helixtrans-66.4-41.3176.1-69.5-170.5-148.300112I29 A94 M95 L96 I100 F101 Y102I29-E98 HydrophobicContact CD1-CB 3.62Å; I29-E98 HydrophobicContact CG1-CB 3.92Å; I29-E98 HydrophobicContact CG2-CB 4.46Å; A94-E98 PolarHBondContact O-N 3.22Å; A94-E98 VanDerWaalsContact O-N 3.12Å; M95-E98 PolarHBondContact O-N 2.64Å; L96-E98 PolarHBondContact O-N 2.55Å; E98-I100 PolarHBondContact O-N 2.84Å; E98-F101 WeakPolarHBondContact O-CB 3.33Å; E98-F101 PolarHBondContact O-N 3.36Å; E98-Y102 HydrophobicContact CB-CE2 4.47Å; E98-Y102 WeakPolarHBondContact O-CD2 3.36Å; E98-Y102 PolarHBondContact O-N 3.11Å
99I96.3Very high95Very high30 Ų3073.8 Ų73.815%0.15435%0.353CS..Hα-helixtrans-58.1-49174.7-69.4168.5000110.5M1 L3 I29 M95 L96 F101 Y102 F103 V110 L112M1-I99 HydrophobicContact CE-CB 4.48Å; M1-I99 HydrophobicContact CE-CG2 3.64Å; M1-I99 WeakPolarHBondContact CE-O 3.21Å; L3-I99 HydrophobicContact CD1-CD1 4.3Å; L3-I99 HydrophobicContact CD2-CD1 4.21Å; L3-I99 HydrophobicContact CD2-CG1 4.29Å; L3-I99 HydrophobicContact CD2-CG2 4.01Å; I29-I99 HydrophobicContact CD1-CB 4.37Å; I29-I99 HydrophobicContact CD1-CG1 3.48Å; I29-I99 VanDerWaalsContact CD1-CG1 3.48Å; M95-I99 VanDerWaalsContact O-CG1 3.29Å; M95-I99 WeakPolarHBondContact O-CG1 3.3Å; M95-I99 PolarHBondContact O-N 3.21Å; L96-I99 PolarHBondContact O-N 3.02Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 2.87Å; I99-Y102 PolarHBondContact O-N 3.19Å; I99-F103 WeakPolarHBondContact O-CB 3.29Å; I99-F103 PolarHBondContact O-N 3.36Å; I99-V110 HydrophobicContact CG1-CG1 4.45Å; I99-L112 HydrophobicContact CD1-CD2 4.17Å; I99-L112 HydrophobicContact CG1-CD2 4.24Å
100I95.4Very high95.3Very high81 Ų8170.5 Ų70.542%0.41533%0.332SS..Hα-helixtrans-62.7-41.6178.6-68.7168000110.5L96 K97 E98 Y102 F103 L104L96-I100 HydrophobicContact CD1-CD1 4.11Å; L96-I100 HydrophobicContact CD1-CG1 4.26Å; L96-I100 HydrophobicContact CG-CD1 3.9Å; L96-I100 HydrophobicContact CG-CG1 4.46Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.5Å; L96-I100 PolarHBondContact O-N 3.26Å; K97-I100 PolarHBondContact O-N 3.15Å; E98-I100 PolarHBondContact O-N 2.84Å; I100-Y102 PolarHBondContact O-N 3.17Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.88Å; I100-L104 HydrophobicContact CG2-CD1 3.92Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 2.98Å
101F97Very high95.4Very high100 Ų10068.3 Ų68.344%0.43932%0.322SS..Hα-helixtrans-57.2-48.7177.1174.7-100.6000112K97 E98 I99 L104 R105K97-F101 WeakPolarHBondContact O-CB 3.48Å; K97-F101 PolarHBondContact O-N 3.23Å; E98-F101 WeakPolarHBondContact O-CB 3.33Å; E98-F101 PolarHBondContact O-N 3.36Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 2.87Å; F101-L104 PolarHBondContact O-N 3.3Å; F101-R105 WeakPolarHBondContact O-CG 3.26Å; F101-R105 PolarHBondContact O-N 3.22Å
102Y97Very high95.6Very high47 Ų4767.2 Ų67.218%0.18432%0.316CS..Hα-helixtrans-68.8-35177.2-68.1-60.7000112.8P27 I29 E98 I99 I100 L104 R105 G106 Y107 V110P27-Y102 HydrophobicContact CB-CD1 3.43Å; P27-Y102 VanDerWaalsContact CB-CD1 3.43Å; P27-Y102 HydrophobicContact CB-CD2 3.93Å; P27-Y102 HydrophobicContact CB-CE1 3.43Å; P27-Y102 VanDerWaalsContact CB-CE1 3.43Å; P27-Y102 HydrophobicContact CB-CE2 3.94Å; P27-Y102 HydrophobicContact CB-CG 3.69Å; P27-Y102 HydrophobicContact CG-CD1 4.23Å; P27-Y102 HydrophobicContact CG-CG 4.3Å; I29-Y102 HydrophobicContact CD1-CD2 4.2Å; I29-Y102 HydrophobicContact CD1-CE2 4.35Å; I29-Y102 HydrophobicContact CG1-CD2 4.28Å; I29-Y102 HydrophobicContact CG1-CE2 3.96Å; E98-Y102 HydrophobicContact CB-CE2 4.47Å; E98-Y102 WeakPolarHBondContact O-CD2 3.36Å; E98-Y102 PolarHBondContact O-N 3.11Å; I99-Y102 PolarHBondContact O-N 3.19Å; I100-Y102 PolarHBondContact O-N 3.17Å; Y102-L104 PolarHBondContact O-N 3.04Å; Y102-R105 PolarHBondContact O-N 3.42Å; Y102-G106 PolarHBondContact O-N 3.44Å; Y102-Y107 AromaticContact CD1-CD2 3.82Å; Y102-Y107 HydrophobicContact CD1-CD2 3.82Å; Y102-Y107 AromaticContact CD1-CE2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 3.7Å; Y102-Y107 HydrophobicContact CD1-CG 4.5Å; Y102-Y107 HydrophobicContact CE1-CE2 4.38Å; Y102-Y107 HydrophobicContact CG-CD2 4.42Å; Y102-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y102-Y107 PolarHBondContact O-N 2.89Å; Y102-V110 HydrophobicContact CD2-CG2 3.91Å; Y102-V110 HydrophobicContact CE2-CG2 4.42Å
103F94.8Very high95.8Very high62 Ų6262.9 Ų62.927%0.27230%0.296SS..Hα-helixtrans-58-48.3173.3176.2-101000111.6M1 I99 I100 R105 G106 V205 A209M1-F103 HydrophobicContact CB-CD2 3.76Å; M1-F103 HydrophobicContact CE-CB 3.99Å; M1-F103 HydrophobicContact SD-CB 4.41Å; I99-F103 WeakPolarHBondContact O-CB 3.29Å; I99-F103 PolarHBondContact O-N 3.36Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.88Å; F103-R105 VanDerWaalsContact C-N 3.26Å; F103-R105 PolarHBondContact O-N 3Å; F103-G106 PolarHBondContact O-N 2.88Å; F103-V205 HydrophobicContact CD2-CG1 4.48Å; F103-V205 HydrophobicContact CE2-CG1 3.88Å; F103-A209 HydrophobicContact CZ-CB 3.88Å
104L93.8Very high95.8Very high134 Ų13456.8 Ų56.870%0.70227%0.271SS*.Hα-helixtrans-66.5-26.8180-67.9175.1000112.9I100 F101 Y102 G106I100-L104 HydrophobicContact CG2-CD1 3.92Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 2.98Å; F101-L104 PolarHBondContact O-N 3.3Å; Y102-L104 PolarHBondContact O-N 3.04Å; L104-G106 PolarHBondContact O-N 3.36Å
105R95.3Very high95.3Very high166 Ų16656.7 Ų56.763%0.62627%0.268SS*.THydrogen-bonded Turntrans-79.20.5172.6-68.2-166.6116.6167.84114.1F101 Y102 F103 Y107F101-R105 WeakPolarHBondContact O-CG 3.26Å; F101-R105 PolarHBondContact O-N 3.22Å; Y102-R105 PolarHBondContact O-N 3.42Å; F103-R105 VanDerWaalsContact C-N 3.26Å; F103-R105 PolarHBondContact O-N 3Å; R105-Y107 HydrophobicContact CB-CD2 3.79Å; R105-Y107 HydrophobicContact CB-CE2 3.8Å
106G92.8Very high94.9Very high40 Ų4059.9 Ų59.941%0.41228%0.284SS..THydrogen-bonded Turntrans85.79.1173.100000115Y102 F103 L104 R206Y102-G106 PolarHBondContact O-N 3.44Å; F103-G106 PolarHBondContact O-N 2.88Å; L104-G106 PolarHBondContact O-N 3.36Å; G106-R206 PolarHBondContact O-NH2 3.32Å
107Y95.2Very high94.7Very high84 Ų8455.2 Ų55.233%0.32926%0.26SS..  trans-58.4141.4177.1-74.7-91.3000111.6M1 P27 Y102 R105M1-Y107 WeakPolarHBondContact CB-O 3.39Å; M1-Y107 WeakPolarHBondContact CG-O 3.5Å; P27-Y107 HydrophobicContact CB-CD1 4.26Å; P27-Y107 HydrophobicContact CB-CE1 4.23Å; P27-Y107 VanDerWaalsContact CD-CD1 3.47Å; P27-Y107 HydrophobicContact CG-CD1 3.44Å; P27-Y107 VanDerWaalsContact CG-CD1 3.44Å; P27-Y107 HydrophobicContact CG-CE1 3.85Å; P27-Y107 HydrophobicContact CG-CG 3.82Å; Y102-Y107 AromaticContact CD1-CD2 3.82Å; Y102-Y107 HydrophobicContact CD1-CD2 3.82Å; Y102-Y107 AromaticContact CD1-CE2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 3.7Å; Y102-Y107 HydrophobicContact CD1-CG 4.5Å; Y102-Y107 HydrophobicContact CE1-CE2 4.38Å; Y102-Y107 HydrophobicContact CG-CD2 4.42Å; Y102-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y102-Y107 PolarHBondContact O-N 2.89Å; R105-Y107 HydrophobicContact CB-CD2 3.79Å; R105-Y107 HydrophobicContact CB-CE2 3.8Å
108R94.7Very high94.4Very high78 Ų7848.1 Ų48.129%0.29423%0.229SC..SBendtrans-77.3-37.6179.6-65.2179.877.6148-6.6111.5M1 F2 E197 S199 F202M1-R108 CarbonylContact C-O 3.58Å; M1-R108 WeakPolarHBondContact CA-O 3.33Å; F2-R108 WeakPolarHBondContact CD1-O 3.14Å; F2-R108 PolarHBondContact N-O 3.45Å; R108-E197 VanDerWaalsContact CD-OE2 3.27Å; R108-E197 WeakPolarHBondContact CD-OE2 3.49Å; R108-E197 PolarHBondContact NE-O 3.33Å; R108-E197 VanDerWaalsContact NE-O 3.08Å; R108-E197 PolarHBondContact NH1-O 3.23Å; R108-E197 PolarHBondContact NH2-O 3.48Å; R108-S199 PolarHBondContact NH2-O 2.99Å; R108-F202 WeakPolarHBondContact O-CB 3.02Å
109Y97Very high94Very high2 Ų248.4 Ų48.41%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-145.1166.1172.968.7-89.8000112F2 V4 C26 P27 V111 H193 L196 E197F2-Y109 HydrophobicContact CE1-CD1 4.48Å; F2-Y109 VanDerWaalsContact CE2-CB 3.47Å; F2-Y109 HydrophobicContact CE2-CG 4.09Å; F2-Y109 HydrophobicContact CZ-CD1 4.01Å; F2-Y109 AromaticContact CZ-CG 4Å; F2-Y109 HydrophobicContact CZ-CG 4Å; F2-Y109 WeakPolarHBondContact O-CA 3.36Å; F2-Y109 WeakPolarHBondContact O-CB 3.42Å; V4-Y109 HydrophobicContact CG2-CD2 3.87Å; V4-Y109 HydrophobicContact CG2-CG 4.27Å; C26-Y109 HydrophobicContact CB-CE2 4.37Å; C26-Y109 PolarHBondContact SG-OH 2.86Å; P27-Y109 VanDerWaalsContact CG-O 3.23Å; P27-Y109 WeakPolarHBondContact CG-O 3.37Å; Y109-V111 HydrophobicContact CD2-CG2 4.14Å; Y109-V111 HydrophobicContact CE2-CG2 3.85Å; Y109-H193 AromaticContact CZ-ND1 3.98Å; Y109-H193 PolarHBondContact OH-ND1 2.96Å; Y109-L196 HydrophobicContact CD1-CB 4.03Å; Y109-L196 HydrophobicContact CE1-CB 3.67Å; Y109-L196 HydrophobicContact CE2-CB 4.47Å; Y109-L196 HydrophobicContact CE2-CD1 4.09Å; Y109-E197 HydrophobicContact CE1-CG 4.12Å; Y109-E197 WeakPolarHBondContact CE1-OE1 3.44Å
110V97.7Very high93.4Very high0 Ų050 Ų500%024%0.242CC..EExtended strand (participates in β ladder)trans-133.8141.5170.363.60000110M1 F2 L3 V4 P27 I29 I99 Y102 L112M1-V110 HydrophobicContact CE-CB 4.18Å; M1-V110 HydrophobicContact CE-CG1 3.52Å; M1-V110 HydrophobicContact SD-CB 3.96Å; M1-V110 HydrophobicContact SD-CG1 3.94Å; F2-V110 PolarHBondContact O-N 3.02Å; F2-V110 VanDerWaalsContact O-N 3.15Å; L3-V110 HydrophobicContact CD2-CG1 3.37Å; V4-V110 PolarHBondContact N-O 3.49Å; P27-V110 HydrophobicContact CB-CG2 4.05Å; P27-V110 HydrophobicContact CG-CB 4.06Å; P27-V110 HydrophobicContact CG-CG2 4.06Å; P27-V110 WeakPolarHBondContact O-CG2 3.29Å; I29-V110 HydrophobicContact CD1-CG2 3.67Å; I29-V110 HydrophobicContact CG1-CG2 3.77Å; I99-V110 HydrophobicContact CG1-CG1 4.45Å; Y102-V110 HydrophobicContact CD2-CG2 3.91Å; Y102-V110 HydrophobicContact CE2-CG2 4.42Å; V110-L112 HydrophobicContact CG1-CD2 4.5Å
111V98.1Very high92.9Very high1 Ų154.3 Ų54.31%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-94121.4178.9-175.90000109.2V4 L6 L21 P27 I28 I29 Y109V4-V111 HydrophobicContact CB-CG2 4.39Å; V4-V111 CarbonylContact O-C 3.51Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.38Å; L6-V111 HydrophobicContact CB-CG1 3.51Å; L6-V111 HydrophobicContact CD2-CG1 4.28Å; L21-V111 HydrophobicContact CD1-CG2 4.45Å; P27-V111 PolarHBondContact O-N 3.3Å; I28-V111 CarbonylContact C-O 3.56Å; I28-V111 WeakPolarHBondContact CA-O 3.22Å; I28-V111 HydrophobicContact CG1-CB 4.15Å; I29-V111 PolarHBondContact N-O 3.45Å; Y109-V111 HydrophobicContact CD2-CG2 4.14Å; Y109-V111 HydrophobicContact CE2-CG2 3.85Å
112L97.6Very high92.3Very high3 Ų355.2 Ų55.22%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-91.8106.7169.3-52.7-171.5000107.9L3 V4 L6 I29 M95 I99 V110 V114 L123 L127L3-L112 HydrophobicContact CD1-CD1 4.32Å; V4-L112 PolarHBondContact O-N 3.42Å; L6-L112 PolarHBondContact N-O 2.94Å; I29-L112 HydrophobicContact CB-CD2 3.9Å; I29-L112 HydrophobicContact CD1-CD2 3.85Å; I29-L112 HydrophobicContact CG1-CD2 4.33Å; I29-L112 HydrophobicContact CG2-CD2 4.42Å; M95-L112 HydrophobicContact CE-CD1 4.26Å; M95-L112 HydrophobicContact CE-CD2 4.16Å; I99-L112 HydrophobicContact CD1-CD2 4.17Å; I99-L112 HydrophobicContact CG1-CD2 4.24Å; V110-L112 HydrophobicContact CG1-CD2 4.5Å; L112-V114 HydrophobicContact CB-CG2 4.07Å; L112-V114 PolarHBondContact O-N 3.05Å; L112-L123 HydrophobicContact CD1-CD1 4.47Å; L112-L127 HydrophobicContact CD1-CD2 3.9Å; L112-L127 HydrophobicContact CG-CD2 4.37Å
113D96.1Very high91.8Very high2 Ų254.6 Ų54.61%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-84.1105.4177.5-169.7-9.7000109.7K14 S18 I28 I29 A31K14-D113 WeakPolarHBondContact CD-OD1 3.4Å; K14-D113 VanDerWaalsContact CE-OD1 3.31Å; K14-D113 WeakPolarHBondContact CE-OD1 3.16Å; K14-D113 VanDerWaalsContact NZ-CG 3.28Å; K14-D113 IonicContact NZ-OD1 2.98Å; K14-D113 PolarHBondContact NZ-OD1 3.39Å; K14-D113 IonicContact NZ-OD2 2.71Å; K14-D113 PolarHBondContact NZ-OD2 3.01Å; S18-D113 WeakPolarHBondContact CB-OD2 3.49Å; S18-D113 PolarHBondContact OG-OD2 3.39Å; I28-D113 HydrophobicContact CG2-CB 3.88Å; I29-D113 PolarHBondContact O-N 2.85Å; A31-D113 WeakPolarHBondContact CB-O 3.43Å; A31-D113 PolarHBondContact N-O 2.82Å
114V93.2Very high91.5Very high13 Ų1353.6 Ų53.68%0.07925%0.252CS..  trans-135.8104-169.3-172.40000110.4L6 T7 A31 L112 L116 L117 L123L6-V114 PolarHBondContact O-N 3.21Å; T7-V114 VanDerWaalsContact CB-O 3.29Å; T7-V114 WeakPolarHBondContact CB-O 3.29Å; T7-V114 PolarHBondContact OG1-O 2.92Å; A31-V114 HydrophobicContact CB-CG2 4.02Å; L112-V114 HydrophobicContact CB-CG2 4.07Å; L112-V114 PolarHBondContact O-N 3.05Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.45Å; V114-L117 HydrophobicContact CB-CB 4.18Å; V114-L117 HydrophobicContact CB-CD1 4.26Å; V114-L117 HydrophobicContact CG1-CB 4.19Å; V114-L117 HydrophobicContact CG1-CD1 4.32Å; V114-L117 WeakPolarHBondContact O-CB 3.2Å; V114-L117 PolarHBondContact O-N 3.19Å; V114-L123 HydrophobicContact CG2-CD1 3.88Å
115P85.9Confident91.3Very high25 Ų2556 Ų5616%0.16226%0.257CS..THydrogen-bonded Turntrans-59.9-37.9-178.3-23.431.2000114.9T7 K168T7-P115 PolarHBondContact OG1-O 2.96Å; P115-K168 PolarHBondContact O-NZ 2.78Å; P115-K168 VanDerWaalsContact O-NZ 3.12Å
116L86.1Confident91Very high79 Ų7954.6 Ų54.641%0.41426%0.256SS..THydrogen-bonded Turntrans-104.539-175.8-59.6179.1000112.6V114 F118 E119 T120V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.45Å; L116-F118 PolarHBondContact O-N 3.32Å; L116-E119 VanDerWaalsContact CA-OE2 3.24Å; L116-E119 WeakPolarHBondContact CA-OE2 3.24Å; L116-E119 HydrophobicContact CB-CB 4.37Å; L116-E119 HydrophobicContact CD2-CG 4.39Å; L116-T120 HydrophobicContact CB-CG2 4.19Å; L116-T120 WeakPolarHBondContact O-CG2 3.36Å; L116-T120 PolarHBondContact O-N 2.81Å; L116-T120 PolarHBondContact O-OG1 3.33Å
117L90.3Very high91.1Very high0 Ų053.7 Ų53.70%024%0.241CC..Hα-helixtrans-61.1-48.1-169.8-178.857.2000112.4T7 V114 R121 L123 T124 L127 T130T7-L117 HydrophobicContact CG2-CB 4.21Å; T7-L117 HydrophobicContact CG2-CD2 4.23Å; V114-L117 HydrophobicContact CB-CB 4.18Å; V114-L117 HydrophobicContact CB-CD1 4.26Å; V114-L117 HydrophobicContact CG1-CB 4.19Å; V114-L117 HydrophobicContact CG1-CD1 4.32Å; V114-L117 WeakPolarHBondContact O-CB 3.2Å; V114-L117 PolarHBondContact O-N 3.19Å; L117-R121 PolarHBondContact O-N 2.88Å; L117-L123 HydrophobicContact CD1-CB 3.96Å; L117-T124 HydrophobicContact CD1-CG2 4.29Å; L117-T124 HydrophobicContact CG-CG2 4.26Å; L117-L127 HydrophobicContact CD1-CD1 3.67Å; L117-L127 HydrophobicContact CD2-CD1 3.74Å; L117-L127 HydrophobicContact CG-CD1 4.23Å; L117-T130 HydrophobicContact CD2-CG2 4.31Å
118F91.4Very high91.1Very high13 Ų1353.1 Ų53.16%0.05724%0.244CC..Hα-helixtrans-85-26.4-175.6-67.1-56.5000113.1T7 L116 R121 T124 T130 M163 K168 L171 A172T7-F118 HydrophobicContact CG2-CD2 3.9Å; T7-F118 HydrophobicContact CG2-CE2 3.62Å; L116-F118 PolarHBondContact O-N 3.32Å; F118-R121 WeakPolarHBondContact O-CG 2.92Å; F118-T124 HydrophobicContact CD1-CG2 3.94Å; F118-T124 HydrophobicContact CE1-CG2 4.3Å; F118-T130 HydrophobicContact CE1-CG2 4.18Å; F118-T130 HydrophobicContact CZ-CG2 4.24Å; F118-M163 HydrophobicContact CB-CE 4.36Å; F118-M163 HydrophobicContact CB-SD 3.85Å; F118-K168 HydrophobicContact CD2-CB 3.97Å; F118-K168 HydrophobicContact CD2-CD 4.48Å; F118-K168 HydrophobicContact CD2-CG 4.03Å; F118-K168 HydrophobicContact CE2-CB 4.3Å; F118-L171 HydrophobicContact CB-CD1 3.95Å; F118-L171 HydrophobicContact CD1-CB 3.94Å; F118-L171 HydrophobicContact CD1-CD1 4.11Å; F118-L171 HydrophobicContact CD2-CB 4.26Å; F118-L171 HydrophobicContact CD2-CD1 4.42Å; F118-L171 HydrophobicContact CE1-CB 3.77Å; F118-L171 HydrophobicContact CE2-CB 4.09Å; F118-L171 HydrophobicContact CG-CB 4.2Å; F118-L171 HydrophobicContact CG-CD1 3.93Å; F118-L171 HydrophobicContact CZ-CB 3.84Å; F118-A172 HydrophobicContact CE2-CB 4.26Å; F118-A172 HydrophobicContact CZ-CB 4.06Å
119E87.6Confident91.2Very high57 Ų5750.9 Ų50.927%0.26624%0.237SC..Hα-helixtrans-67.5-43.1176.8-64.391.8147.400111.1L116 M163 K168L116-E119 VanDerWaalsContact CA-OE2 3.24Å; L116-E119 WeakPolarHBondContact CA-OE2 3.24Å; L116-E119 HydrophobicContact CB-CB 4.37Å; L116-E119 HydrophobicContact CD2-CG 4.39Å; E119-M163 HydrophobicContact CG-CB 3.78Å; E119-M163 PolarHBondContact OE1-N 3.47Å; E119-K168 WeakPolarHBondContact OE1-CE 3.39Å; E119-K168 IonicContact OE1-NZ 3.88Å; E119-K168 PolarHBondContact OE1-NZ 2.86Å; E119-K168 IonicContact OE2-NZ 3.62Å; E119-K168 PolarHBondContact OE2-NZ 3.15Å
120T83.9Confident91.2Very high64 Ų6451.2 Ų51.239%0.39324%0.239SC..Hα-helixtrans-83.6-27.2-178.562.70000112.8L116 R122L116-T120 HydrophobicContact CB-CG2 4.19Å; L116-T120 WeakPolarHBondContact O-CG2 3.36Å; L116-T120 PolarHBondContact O-N 2.81Å; L116-T120 PolarHBondContact O-OG1 3.33Å; T120-R122 WeakPolarHBondContact O-CG 3.47Å; T120-R122 PolarHBondContact O-N 3.06Å
121R85.7Confident91.2Very high170 Ų17051.4 Ų51.464%0.64224%0.24SC*.  trans51.913.1-175.8-56-172.6177.8-172.1-0.5115L117 F118 T124L117-R121 PolarHBondContact O-N 2.88Å; F118-R121 WeakPolarHBondContact O-CG 2.92Å; R121-T124 PolarHBondContact O-OG1 3.38Å; R121-T124 VanDerWaalsContact O-OG1 3.13Å
122R84.3Confident91.2Very high119 Ų11951.3 Ų51.345%0.44924%0.24SC..SBendtrans-74.3-40.6-174.4-71.5-173.5-178.9172.22.7111.9H88 T120 F126H88-R122 PolarHBondContact CD2-NH1 3.26Å; H88-R122 PolarHBondContact CE1-NH1 3.34Å; H88-R122 PolarHBondContact CE1-NH2 3.42Å; H88-R122 VanDerWaalsContact CE1-NH2 3.33Å; H88-R122 PolarHBondContact ND1-NH1 3.43Å; H88-R122 VanDerWaalsContact ND1-NH1 3.15Å; H88-R122 PolarHBondContact NE2-NH1 3.48Å; T120-R122 WeakPolarHBondContact O-CG 3.47Å; T120-R122 PolarHBondContact O-N 3.06Å; R122-F126 WeakPolarHBondContact O-CE2 3.45Å
123L86.9Confident91.2Very high35 Ų3551.2 Ų51.218%0.18324%0.239CC..SBendtrans-95.5-19.7-175.7-64.3176.9000113M95 L112 V114 L117 K125 F126 L127M95-L123 HydrophobicContact CE-CD1 4.16Å; L112-L123 HydrophobicContact CD1-CD1 4.47Å; V114-L123 HydrophobicContact CG2-CD1 3.88Å; L117-L123 HydrophobicContact CD1-CB 3.96Å; L123-K125 PolarHBondContact O-N 3.13Å; L123-K125 VanDerWaalsContact O-N 3.08Å; L123-F126 PolarHBondContact O-N 2.94Å; L123-L127 WeakPolarHBondContact O-CG 3.5Å; L123-L127 PolarHBondContact O-N 3.19Å
124T87.7Confident91.2Very high40 Ų4052 Ų5225%0.24524%0.242CC..G310 helixtrans-55.7-33.7-172.653.10000113.5L117 F118 R121 F126 L127L117-T124 HydrophobicContact CD1-CG2 4.29Å; L117-T124 HydrophobicContact CG-CG2 4.26Å; F118-T124 HydrophobicContact CD1-CG2 3.94Å; F118-T124 HydrophobicContact CE1-CG2 4.3Å; R121-T124 PolarHBondContact O-OG1 3.38Å; R121-T124 VanDerWaalsContact O-OG1 3.13Å; T124-F126 VanDerWaalsContact C-N 3.26Å; T124-F126 PolarHBondContact O-N 3.38Å; T124-L127 PolarHBondContact O-N 2.84Å
125K88.9Confident91.3Very high186 Ų18651.4 Ų51.481%0.80924%0.238SC*.G310 helixtrans-69.7-19.8178.1-62.1-176.9179.9-177.90114.4L123L123-K125 PolarHBondContact O-N 3.13Å; L123-K125 VanDerWaalsContact O-N 3.08Å
126F90.6Very high91.7Very high136 Ų13652.5 Ų52.560%0.59624%0.243SC*.G310 helixtrans-100.1-5.2-178.7-55.3-73000112.4L3 R122 L123 T124L3-F126 HydrophobicContact CD1-CB 4.34Å; R122-F126 WeakPolarHBondContact O-CE2 3.45Å; L123-F126 PolarHBondContact O-N 2.94Å; T124-F126 VanDerWaalsContact C-N 3.26Å; T124-F126 PolarHBondContact O-N 3.38Å
127L94.1Very high91.9Very high21 Ų2152.5 Ų52.511%0.1125%0.247CC..  trans-93.1132.7-176.9-66.3177.9000110.5L3 G5 L112 L117 L123 T124 T130L3-L127 HydrophobicContact CB-CD2 3.6Å; G5-L127 VanDerWaalsContact CA-CD1 3.5Å; L112-L127 HydrophobicContact CD1-CD2 3.9Å; L112-L127 HydrophobicContact CG-CD2 4.37Å; L117-L127 HydrophobicContact CD1-CD1 3.67Å; L117-L127 HydrophobicContact CD2-CD1 3.74Å; L117-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CG 3.5Å; L123-L127 PolarHBondContact O-N 3.19Å; T124-L127 PolarHBondContact O-N 2.84Å; L127-T130 HydrophobicContact CB-CG2 4.27Å; L127-T130 HydrophobicContact CD1-CG2 3.93Å
128N95.6Very high92Very high72 Ų7255.7 Ų55.739%0.38527%0.274SS..SBendtrans-83.3-34.8173.8-62.582.1000111F2 L3F2-N128 HydrophobicContact CB-CB 4.07Å; F2-N128 WeakPolarHBondContact CB-OD1 3.48Å; F2-N128 HydrophobicContact CD2-CB 4.04Å; F2-N128 HydrophobicContact CG-CB 4.4Å; L3-N128 PolarHBondContact N-OD1 3.16Å; L3-N128 PolarHBondContact O-N 3.32Å
129H96.3Very high92.1Very high31 Ų3156.3 Ų56.314%0.14428%0.279CS..EExtended strand (participates in β ladder)trans-132.5144.5176.7-62.6-86.6000110.1F2 L3 V4 G5 N173 H174 L196 D201F2-H129 AromaticContact CD2-CD2 3.84Å; F2-H129 AromaticContact CE2-CD2 3.52Å; L3-H129 PolarHBondContact O-N 3.29Å; V4-H129 CarbonylContact C-O 3.42Å; V4-H129 VanDerWaalsContact CA-O 3.31Å; V4-H129 WeakPolarHBondContact CA-O 3.46Å; V4-H129 HydrophobicContact CG1-CB 4.14Å; V4-H129 HydrophobicContact CG2-CB 4.24Å; G5-H129 PolarHBondContact N-O 2.93Å; H129-N173 WeakPolarHBondContact CA-OD1 3.44Å; H129-H174 AromaticContact CE1-NE2 3.99Å; H129-H174 AromaticContact CG-NE2 3.71Å; H129-H174 AromaticContact ND1-CD2 3.96Å; H129-H174 AromaticContact ND1-CE1 3.87Å; H129-H174 AromaticContact ND1-NE2 2.96Å; H129-H174 PolarHBondContact ND1-NE2 3.47Å; H129-L196 HydrophobicContact CB-CD2 4.12Å; H129-D201 IonicContact CD2-OD2 3.18Å; H129-D201 IonicContact CE1-OD2 3.66Å; H129-D201 IonicContact NE2-OD2 2.72Å; H129-D201 PolarHBondContact NE2-OD2 2.98Å
130T97Very high92.4Very high9 Ų954 Ų546%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-122.9133.6172.152.60000109.1G5 L117 F118 L127 A172 N173 H174G5-T130 CarbonylContact O-C 3.55Å; G5-T130 WeakPolarHBondContact O-CA 3.23Å; L117-T130 HydrophobicContact CD2-CG2 4.31Å; F118-T130 HydrophobicContact CE1-CG2 4.18Å; F118-T130 HydrophobicContact CZ-CG2 4.24Å; L127-T130 HydrophobicContact CB-CG2 4.27Å; L127-T130 HydrophobicContact CD1-CG2 3.93Å; T130-A172 WeakPolarHBondContact OG1-CA 3.1Å; T130-N173 PolarHBondContact N-OD1 2.71Å; T130-N173 PolarHBondContact O-N 2.9Å; T130-N173 PolarHBondContact OG1-N 2.84Å; T130-N173 PolarHBondContact OG1-OD1 3.13Å; T130-H174 PolarHBondContact O-N 2.85Å
131V97.9Very high92.9Very high3 Ų352.5 Ų52.52%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-124.2122.8-176.2-175.90000107.1V4 G5 L6 T7 H174 I176 L192V4-V131 HydrophobicContact CG1-CG2 3.71Å; G5-V131 PolarHBondContact O-N 3.49Å; L6-V131 WeakPolarHBondContact CA-O 3.46Å; L6-V131 HydrophobicContact CD1-CB 3.99Å; L6-V131 HydrophobicContact CD1-CG1 3.8Å; T7-V131 PolarHBondContact N-O 3.24Å; V131-H174 WeakPolarHBondContact CA-O 3.21Å; V131-H174 HydrophobicContact CG2-CB 4.29Å; V131-I176 HydrophobicContact CG1-CD1 3.72Å; V131-I176 HydrophobicContact CG1-CG1 4.09Å; V131-L192 HydrophobicContact CB-CD2 4.37Å; V131-L192 HydrophobicContact CG1-CD2 3.67Å; V131-L192 HydrophobicContact CG2-CD1 4.23Å; V131-L192 HydrophobicContact CG2-CD2 3.76Å
132V97.8Very high93.3Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-109.3129.5172.965.30000110T7 L165 K168 R169 A172 H174 V175 I176T7-V132 HydrophobicContact CG2-CB 4.15Å; T7-V132 HydrophobicContact CG2-CG2 4.14Å; T7-V132 CarbonylContact O-C 3.54Å; T7-V132 WeakPolarHBondContact O-CA 3.28Å; V132-L165 HydrophobicContact CG2-CD1 4.04Å; V132-K168 HydrophobicContact CG2-CB 3.9Å; V132-R169 HydrophobicContact CG1-CB 4.5Å; V132-A172 HydrophobicContact CB-CB 3.86Å; V132-A172 HydrophobicContact CG1-CB 3.48Å; V132-A172 VanDerWaalsContact CG1-CB 3.48Å; V132-H174 PolarHBondContact N-O 3.36Å; V132-V175 HydrophobicContact CG1-CB 4.25Å; V132-V175 HydrophobicContact CG1-CG1 4.14Å; V132-V175 HydrophobicContact CG1-CG2 3.85Å; V132-V175 WeakPolarHBondContact O-CA 3.43Å; V132-I176 PolarHBondContact O-N 2.92Å
133V97.6Very high93.8Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-86113.8168.1-172.50000107.4L6 T7 S12 K14 V17 N178L6-V133 HydrophobicContact CD1-CG2 3.73Å; T7-V133 PolarHBondContact O-N 3.43Å; S12-V133 WeakPolarHBondContact CB-O 3.33Å; S12-V133 WeakPolarHBondContact O-CG1 3.47Å; K14-V133 HydrophobicContact CB-CB 4.45Å; K14-V133 HydrophobicContact CB-CG2 4.39Å; K14-V133 HydrophobicContact CG-CG2 4.49Å; V17-V133 HydrophobicContact CB-CG2 3.8Å; V17-V133 HydrophobicContact CG1-CG2 3.88Å; V17-V133 HydrophobicContact CG2-CB 4.45Å; V17-V133 HydrophobicContact CG2-CG1 3.83Å; V17-V133 HydrophobicContact CG2-CG2 3.73Å; V133-N178 HydrophobicContact CG1-CB 3.87Å
134Y96.6Very high94.1Very high20 Ų2046 Ų468%0.07824%0.235CC..EExtended strand (participates in β ladder)trans-106144.6-176.2177.7-86000109.8L165 N166 R169 I176 E177 N178Y134-L165 HydrophobicContact CD2-CB 4.44Å; Y134-L165 HydrophobicContact CD2-CD2 4.11Å; Y134-L165 HydrophobicContact CD2-CG 3.72Å; Y134-L165 HydrophobicContact CE2-CB 4.49Å; Y134-L165 HydrophobicContact CE2-CG 4.21Å; Y134-L165 HydrophobicContact CG-CG 4.49Å; Y134-N166 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-N166 PolarHBondContact OH-OD1 2.94Å; Y134-R169 HydrophobicContact CD2-CB 4.24Å; Y134-I176 PolarHBondContact N-O 3Å; Y134-E177 WeakPolarHBondContact CD1-OE2 3.43Å; Y134-E177 WeakPolarHBondContact CE1-OE2 3.19Å; Y134-N178 PolarHBondContact O-N 3.4Å
135C94.9Very high94.5Very high0 Ų046.9 Ų46.90%024%0.237CC..  trans-141.2158.9159.466.40000108.9T139 Q140 L165 S179C135-T139 HydrophobicContact CB-CG2 4.38Å; C135-Q140 VanDerWaalsContact SG-CB 3.55Å; C135-L165 WeakPolarHBondContact O-CD2 3.35Å; C135-S179 WeakPolarHBondContact CA-OG 3.37Å
136D93.9Very high94.7Very high47 Ų4744.2 Ų44.225%0.25123%0.227SC..  trans-63.9152.4176.173.186.6000111.3A138 T139 Q140 S179D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.04Å; D136-A138 WeakPolarHBondContact OD1-CA 3.09Å; D136-A138 WeakPolarHBondContact OD1-CB 3.45Å; D136-A138 PolarHBondContact OD1-N 3.12Å; D136-T139 VanDerWaalsContact CG-OG1 3.31Å; D136-T139 PolarHBondContact O-N 3.46Å; D136-T139 PolarHBondContact OD1-N 2.9Å; D136-T139 PolarHBondContact OD1-OG1 2.86Å; D136-T139 WeakPolarHBondContact OD2-CB 3.46Å; D136-T139 PolarHBondContact OD2-OG1 3.42Å; D136-Q140 WeakPolarHBondContact O-CB 3.36Å; D136-Q140 PolarHBondContact O-N 3.32Å; D136-S179 PolarHBondContact N-OG 3.19Å; D136-S179 VanDerWaalsContact OD2-CB 3.3Å; D136-S179 WeakPolarHBondContact OD2-CB 3.29Å; D136-S179 PolarHBondContact OD2-OG 3.47Å
137P91.8Very high94.8Very high79 Ų7944.4 Ų44.451%0.51322%0.224SC..Hα-helixtrans-58.7-34.2-176.2-2735.6000114.3Q140 L141P137-Q140 PolarHBondContact O-N 3.22Å; P137-L141 WeakPolarHBondContact O-CB 3.39Å; P137-L141 PolarHBondContact O-N 2.68Å
138A92.6Very high94.7Very high67 Ų6745.9 Ų45.955%0.55423%0.232SC*.Hα-helixtrans-69.4-46.7-179.300000110.5D136 Q140 L141 Q142D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.04Å; D136-A138 WeakPolarHBondContact OD1-CA 3.09Å; D136-A138 WeakPolarHBondContact OD1-CB 3.45Å; D136-A138 PolarHBondContact OD1-N 3.12Å; A138-Q140 VanDerWaalsContact C-N 3.31Å; A138-Q140 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 3.42Å; A138-Q142 WeakPolarHBondContact O-CB 3.37Å; A138-Q142 PolarHBondContact O-N 3.45Å
139T93.3Very high94.5Very high26 Ų2649.6 Ų49.616%0.1625%0.252CS..Hα-helixtrans-60.9-40.9173.1-64.40000111.6C135 D136 R143C135-T139 HydrophobicContact CB-CG2 4.38Å; D136-T139 VanDerWaalsContact CG-OG1 3.31Å; D136-T139 PolarHBondContact O-N 3.46Å; D136-T139 PolarHBondContact OD1-N 2.9Å; D136-T139 PolarHBondContact OD1-OG1 2.86Å; D136-T139 WeakPolarHBondContact OD2-CB 3.46Å; D136-T139 PolarHBondContact OD2-OG1 3.42Å; T139-R143 HydrophobicContact CG2-CG 4.3Å; T139-R143 VanDerWaalsContact CG2-CZ 3.43Å; T139-R143 WeakPolarHBondContact O-CB 3.48Å; T139-R143 VanDerWaalsContact O-CG 3.27Å; T139-R143 WeakPolarHBondContact O-CG 3.42Å; T139-R143 PolarHBondContact O-N 3.36Å
140Q93.8Very high94.3Very high10 Ų1049.1 Ų49.15%0.04725%0.251CS..Hα-helixtrans-59.1-49.3177.7-166.4-178.68.800111.4I10 C135 D136 P137 A138 L144 V159I10-Q140 WeakPolarHBondContact O-CG 3.29Å; I10-Q140 PolarHBondContact O-NE2 2.78Å; C135-Q140 VanDerWaalsContact SG-CB 3.55Å; D136-Q140 WeakPolarHBondContact O-CB 3.36Å; D136-Q140 PolarHBondContact O-N 3.32Å; P137-Q140 PolarHBondContact O-N 3.22Å; A138-Q140 VanDerWaalsContact C-N 3.31Å; A138-Q140 PolarHBondContact O-N 3.26Å; Q140-L144 WeakPolarHBondContact O-CB 3.38Å; Q140-L144 PolarHBondContact O-N 3.23Å; Q140-V159 HydrophobicContact CG-CG2 4.48Å
141L94.1Very high94.1Very high31 Ų3152.1 Ų52.116%0.16227%0.269CS..Hα-helixtrans-65.1-48.4-178.6-17068000111P137 A138 R143 L144 M145 Q152 A155 E156P137-L141 WeakPolarHBondContact O-CB 3.39Å; P137-L141 PolarHBondContact O-N 2.68Å; A138-L141 PolarHBondContact O-N 3.42Å; L141-R143 PolarHBondContact O-N 3.01Å; L141-L144 PolarHBondContact O-N 2.95Å; L141-M145 HydrophobicContact CG-SD 4.1Å; L141-M145 VanDerWaalsContact O-CG 3.31Å; L141-M145 WeakPolarHBondContact O-CG 3.23Å; L141-M145 PolarHBondContact O-N 2.91Å; L141-Q152 HydrophobicContact CD2-CG 3.89Å; L141-A155 HydrophobicContact CD1-CB 3.45Å; L141-A155 VanDerWaalsContact CD1-CB 3.45Å; L141-A155 HydrophobicContact CG-CB 4.43Å; L141-E156 HydrophobicContact CD1-CG 3.75Å; L141-E156 HydrophobicContact CD2-CG 4.13Å
142Q94.2Very high94Very high111 Ų11157.2 Ų57.252%0.51929%0.293SS..Hα-helixtrans-57.1-48.4177.9-177.1-175-7.500111.6A138 L144 M145 Q146A138-Q142 WeakPolarHBondContact O-CB 3.37Å; A138-Q142 PolarHBondContact O-N 3.45Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.32Å; Q142-M145 PolarHBondContact O-N 3.46Å; Q142-Q146 WeakPolarHBondContact O-CB 3.38Å; Q142-Q146 WeakPolarHBondContact O-CG 3.29Å; Q142-Q146 PolarHBondContact O-N 3.19Å
143R94.1Very high93.7Very high77 Ų7764.1 Ų64.129%0.29133%0.325SS..Hα-helixtrans-63.6-39178.7-74.6176.8178.5167.52.2111.9A11 T139 L141 R147 N178A11-R143 HydrophobicContact CB-CB 4.02Å; T139-R143 HydrophobicContact CG2-CG 4.3Å; T139-R143 VanDerWaalsContact CG2-CZ 3.43Å; T139-R143 WeakPolarHBondContact O-CB 3.48Å; T139-R143 VanDerWaalsContact O-CG 3.27Å; T139-R143 WeakPolarHBondContact O-CG 3.42Å; T139-R143 PolarHBondContact O-N 3.36Å; L141-R143 PolarHBondContact O-N 3.01Å; R143-R147 WeakPolarHBondContact O-CB 3.28Å; R143-R147 PolarHBondContact O-N 3.47Å; R143-N178 PolarHBondContact NH1-ND2 3.18Å; R143-N178 PolarHBondContact NH1-O 3.4Å; R143-N178 PolarHBondContact NH2-O 3.45Å
144L94.1Very high93.4Very high0 Ų068.3 Ų68.30%034%0.344CS..Hα-helixtrans-65.5-46.3178.2-179.354.8000111.5I10 A11 Q140 L141 Q142 Q146 R147 D148 L150 A155 R158 V159I10-L144 HydrophobicContact CD1-CD1 3.55Å; I10-L144 HydrophobicContact CD1-CD2 4.02Å; I10-L144 HydrophobicContact CD1-CG 4.46Å; I10-L144 HydrophobicContact CG1-CD1 3.81Å; I10-L144 HydrophobicContact CG1-CD2 4.37Å; I10-L144 HydrophobicContact CG2-CD2 4.01Å; A11-L144 HydrophobicContact CB-CB 3.79Å; A11-L144 HydrophobicContact CB-CD1 4.46Å; Q140-L144 WeakPolarHBondContact O-CB 3.38Å; Q140-L144 PolarHBondContact O-N 3.23Å; L141-L144 PolarHBondContact O-N 2.95Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.12Å; L144-R147 PolarHBondContact O-N 3.24Å; L144-D148 HydrophobicContact CD1-CB 4.41Å; L144-D148 VanDerWaalsContact CD1-OD2 3.3Å; L144-D148 WeakPolarHBondContact CD1-OD2 3.27Å; L144-D148 PolarHBondContact O-N 2.98Å; L144-L150 HydrophobicContact CD1-CD1 4.31Å; L144-L150 HydrophobicContact CG-CD1 4.14Å; L144-A155 HydrophobicContact CD2-CB 3.97Å; L144-A155 HydrophobicContact CG-CB 4.12Å; L144-R158 HydrophobicContact CD2-CB 4.03Å; L144-V159 HydrophobicContact CD2-CG2 3.88Å
145M95.3Very high93.2Very high59 Ų5967.4 Ų67.429%0.29134%0.341SS..Hα-helixtrans-59-46.5176.7-69.817165.900111.4L141 Q142 N149 L150 Q152 A155L141-M145 HydrophobicContact CG-SD 4.1Å; L141-M145 VanDerWaalsContact O-CG 3.31Å; L141-M145 WeakPolarHBondContact O-CG 3.23Å; L141-M145 PolarHBondContact O-N 2.91Å; Q142-M145 PolarHBondContact O-N 3.46Å; M145-N149 VanDerWaalsContact O-CA 3.23Å; M145-N149 WeakPolarHBondContact O-CA 3.21Å; M145-N149 PolarHBondContact O-N 3.46Å; M145-L150 PolarHBondContact O-N 3.5Å; M145-Q152 HydrophobicContact CE-CB 4.14Å; M145-Q152 HydrophobicContact SD-CB 4.19Å; M145-Q152 HydrophobicContact SD-CG 4.43Å; M145-A155 HydrophobicContact CG-CB 3.59Å
146Q93.9Very high93.1Very high129 Ų12971.6 Ų71.660%0.60336%0.36SS*.Hα-helixtrans-66-40.6179.2-73.1178.9-1300113Q142 L144Q142-Q146 WeakPolarHBondContact O-CB 3.38Å; Q142-Q146 WeakPolarHBondContact O-CG 3.29Å; Q142-Q146 PolarHBondContact O-N 3.19Å; L144-Q146 PolarHBondContact O-N 3.12Å
147R92.8Very high92.9Very high141 Ų14176.1 Ų76.153%0.53238%0.38SS..Hα-helixtrans-71.5-40.9-177.3-171.4-168.571.6-179.30.4112.4R143 L144R143-R147 WeakPolarHBondContact O-CB 3.28Å; R143-R147 PolarHBondContact O-N 3.47Å; L144-R147 PolarHBondContact O-N 3.24Å
148D90.8Very high92.8Very high51 Ų5177.7 Ų77.727%0.27338%0.376SS..Hα-helixtrans-1084-170-66.63.3000112.9L144 L150 R158L144-D148 HydrophobicContact CD1-CB 4.41Å; L144-D148 VanDerWaalsContact CD1-OD2 3.3Å; L144-D148 WeakPolarHBondContact CD1-OD2 3.27Å; L144-D148 PolarHBondContact O-N 2.98Å; D148-L150 HydrophobicContact CB-CD1 3.69Å; D148-L150 HydrophobicContact CB-CD2 4.21Å; D148-L150 HydrophobicContact CB-CG 3.62Å; D148-L150 PolarHBondContact O-N 3.38Å; D148-R158 IonicContact OD2-NH1 3.32Å; D148-R158 PolarHBondContact OD2-NH1 3.47Å
149N92.6Very high92.7Very high150 Ų15076.3 Ų76.380%0.80236%0.36SS*.THydrogen-bonded Turntrans50.153.9-175.6-67.3-41.5000113.1M145M145-N149 VanDerWaalsContact O-CA 3.23Å; M145-N149 WeakPolarHBondContact O-CA 3.21Å; M145-N149 PolarHBondContact O-N 3.46Å
150L90.9Very high92.5Very high22 Ų2279 Ų7912%0.11539%0.385CS..  trans-106154.4-174.8-57.1175.3000112.6L144 M145 D148 Q154 A155L144-L150 HydrophobicContact CD1-CD1 4.31Å; L144-L150 HydrophobicContact CG-CD1 4.14Å; M145-L150 PolarHBondContact O-N 3.5Å; D148-L150 HydrophobicContact CB-CD1 3.69Å; D148-L150 HydrophobicContact CB-CD2 4.21Å; D148-L150 HydrophobicContact CB-CG 3.62Å; D148-L150 PolarHBondContact O-N 3.38Å; L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.48Å; L150-A155 HydrophobicContact CB-CB 4.39Å; L150-A155 HydrophobicContact CD1-CB 4.39Å
151T94.3Very high92.1Very high71 Ų7182.6 Ų82.644%0.43642%0.417SS..  trans-68.5161162.8710000110.4E153 Q154 A155T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 3.26Å; T151-Q154 VanDerWaalsContact N-OE1 3.11Å; T151-Q154 PolarHBondContact O-N 2.89Å; T151-Q154 VanDerWaalsContact OG1-CG 3.27Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.41Å; T151-Q154 PolarHBondContact OG1-N 2.93Å; T151-Q154 PolarHBondContact OG1-OE1 2.98Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 3.39Å
152Q93.8Very high91.8Very high111 Ų11183.5 Ų83.552%0.51942%0.42SS..Hα-helixtrans-56.6-48.3176.8-173.5179.3-26.100111.5L141 M145 Q154 A155 E156L141-Q152 HydrophobicContact CD2-CG 3.89Å; M145-Q152 HydrophobicContact CE-CB 4.14Å; M145-Q152 HydrophobicContact SD-CB 4.19Å; M145-Q152 HydrophobicContact SD-CG 4.43Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3.4Å; Q152-A155 PolarHBondContact O-N 3.37Å; Q152-A155 VanDerWaalsContact O-N 3.12Å; Q152-E156 HydrophobicContact CG-CG 4.43Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.46Å; Q152-E156 PolarHBondContact NE2-OE1 2.9Å; Q152-E156 WeakPolarHBondContact O-CG 3.46Å; Q152-E156 PolarHBondContact O-N 3.43Å
153E93.4Very high91.6Very high144 Ų14480 Ų8067%0.67340%0.404SS*.Hα-helixtrans-58.4-43.4179.2-64.6172175.600112.3T151 A155 E156 Q157T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 3.26Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.93Å; E153-E156 PolarHBondContact O-N 3.14Å; E153-Q157 VanDerWaalsContact O-CG 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.44Å; E153-Q157 PolarHBondContact O-N 2.93Å
154Q90.4Very high91.5Very high89 Ų8979.5 Ų79.542%0.41641%0.411SS..Hα-helixtrans-64.7-39.5177.1-74172.7-2100111.9L150 T151 Q152 R158L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.48Å; T151-Q154 VanDerWaalsContact N-OE1 3.11Å; T151-Q154 PolarHBondContact O-N 2.89Å; T151-Q154 VanDerWaalsContact OG1-CG 3.27Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.41Å; T151-Q154 PolarHBondContact OG1-N 2.93Å; T151-Q154 PolarHBondContact OG1-OE1 2.98Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3.4Å; Q154-R158 WeakPolarHBondContact O-CG 3.42Å; Q154-R158 PolarHBondContact O-N 3.23Å; Q154-R158 VanDerWaalsContact O-N 3.16Å
155A91.6Very high91.3Very high0 Ų080.1 Ų80.10%041%0.414CS..Hα-helixtrans-69.1-41.3178.400000111.2L141 L144 M145 L150 T151 Q152 E153 R158 V159L141-A155 HydrophobicContact CD1-CB 3.45Å; L141-A155 VanDerWaalsContact CD1-CB 3.45Å; L141-A155 HydrophobicContact CG-CB 4.43Å; L144-A155 HydrophobicContact CD2-CB 3.97Å; L144-A155 HydrophobicContact CG-CB 4.12Å; M145-A155 HydrophobicContact CG-CB 3.59Å; L150-A155 HydrophobicContact CB-CB 4.39Å; L150-A155 HydrophobicContact CD1-CB 4.39Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 3.39Å; Q152-A155 PolarHBondContact O-N 3.37Å; Q152-A155 VanDerWaalsContact O-N 3.12Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.93Å; A155-R158 PolarHBondContact O-N 3.13Å; A155-V159 WeakPolarHBondContact O-CG2 3.31Å; A155-V159 PolarHBondContact O-N 3.44Å
156E92.9Very high91.2Very high88 Ų8881.8 Ų81.841%0.41142%0.424SS..Hα-helixtrans-60.2-46.4174.3-73.6173.3-178.500111.7L141 Q152 E153 R158 V159 A160L141-E156 HydrophobicContact CD1-CG 3.75Å; L141-E156 HydrophobicContact CD2-CG 4.13Å; Q152-E156 HydrophobicContact CG-CG 4.43Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.46Å; Q152-E156 PolarHBondContact NE2-OE1 2.9Å; Q152-E156 WeakPolarHBondContact O-CG 3.46Å; Q152-E156 PolarHBondContact O-N 3.43Å; E153-E156 PolarHBondContact O-N 3.14Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 2.97Å; E156-V159 PolarHBondContact O-N 3.15Å; E156-A160 WeakPolarHBondContact O-CB 3.41Å; E156-A160 PolarHBondContact O-N 3.37Å
157Q90.9Very high91.2Very high142 Ų14280.9 Ų80.966%0.66442%0.42SS*.Hα-helixtrans-58.2-40.9175.6-74.7176.7-0.700112.3E153 A160 A161E153-Q157 VanDerWaalsContact O-CG 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.44Å; E153-Q157 PolarHBondContact O-N 2.93Å; Q157-A160 PolarHBondContact O-N 3.03Å; Q157-A161 PolarHBondContact O-N 3.19Å; Q157-A161 VanDerWaalsContact O-N 3.15Å
158R89.6Confident91.3Very high112 Ų11274.2 Ų74.242%0.42340%0.395SS..Hα-helixtrans-68.6-38.8177.6-74.4-176.5-172.6-163.32.5112.8I10 L144 D148 Q154 A155 E156 A161I10-R158 HydrophobicContact CD1-CB 4.46Å; L144-R158 HydrophobicContact CD2-CB 4.03Å; D148-R158 IonicContact OD2-NH1 3.32Å; D148-R158 PolarHBondContact OD2-NH1 3.47Å; Q154-R158 WeakPolarHBondContact O-CG 3.42Å; Q154-R158 PolarHBondContact O-N 3.23Å; Q154-R158 VanDerWaalsContact O-N 3.16Å; A155-R158 PolarHBondContact O-N 3.13Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 2.97Å; R158-A161 PolarHBondContact O-N 2.94Å
159V90Very high91.4Very high39 Ų3977.5 Ų77.524%0.23640%0.403CS..Hα-helixtrans-66-44.1175.5172.10000110.1I10 Q140 L144 A155 E156 A161 Q162I10-V159 HydrophobicContact CG2-CG2 3.86Å; Q140-V159 HydrophobicContact CG-CG2 4.48Å; L144-V159 HydrophobicContact CD2-CG2 3.88Å; A155-V159 WeakPolarHBondContact O-CG2 3.31Å; A155-V159 PolarHBondContact O-N 3.44Å; E156-V159 PolarHBondContact O-N 3.15Å; V159-A161 PolarHBondContact O-N 2.91Å; V159-Q162 PolarHBondContact O-N 3.05Å; V159-Q162 VanDerWaalsContact O-N 3.15Å
160A88.6Confident91.5Very high82 Ų8273.7 Ų73.768%0.67840%0.4SS*.Hα-helixtrans-66.1-21.4179.900000114E156 Q157 Q162E156-A160 WeakPolarHBondContact O-CB 3.41Å; E156-A160 PolarHBondContact O-N 3.37Å; Q157-A160 PolarHBondContact O-N 3.03Å; A160-Q162 PolarHBondContact O-N 2.92Å
161A86.3Confident91.6Very high86 Ų8676.8 Ų76.871%0.71142%0.416SS*.THydrogen-bonded Turntrans-71.5-10.4175.100000113.8Q157 R158 V159Q157-A161 PolarHBondContact O-N 3.19Å; Q157-A161 VanDerWaalsContact O-N 3.15Å; R158-A161 PolarHBondContact O-N 2.94Å; V159-A161 PolarHBondContact O-N 2.91Å
162Q87Confident91.7Very high50 Ų5074.2 Ų74.223%0.23440%0.402CS..SBendtrans-109.9160.8177.5-61.6-173.4-15.200110.8V159 A160V159-Q162 PolarHBondContact O-N 3.05Å; V159-Q162 VanDerWaalsContact O-N 3.15Å; A160-Q162 PolarHBondContact O-N 2.92Å
163M89.4Confident91.8Very high36 Ų3673.5 Ų73.518%0.17740%0.402CS..  trans-57.5133.3170.3173.4-179.1-75.200109.6F118 E119 L165 E167 K168 L171F118-M163 HydrophobicContact CB-CE 4.36Å; F118-M163 HydrophobicContact CB-SD 3.85Å; E119-M163 HydrophobicContact CG-CB 3.78Å; E119-M163 PolarHBondContact OE1-N 3.47Å; M163-L165 PolarHBondContact O-N 3.23Å; M163-E167 HydrophobicContact CG-CB 3.99Å; M163-E167 HydrophobicContact SD-CB 4.38Å; M163-K168 HydrophobicContact CB-CG 4.31Å; M163-K168 HydrophobicContact CG-CG 3.94Å; M163-K168 WeakPolarHBondContact O-CE 3.41Å; M163-K168 HydrophobicContact SD-CG 3.81Å; M163-L171 HydrophobicContact CE-CD1 4.32Å; M163-L171 HydrophobicContact SD-CD1 3.82Å
164P92.4Very high92Very high68 Ų6867.8 Ų67.844%0.44238%0.375SS..  trans-52.3137180-29.436.6000112.1N166 E167 K168P164-N166 PolarHBondContact O-N 3.47Å; P164-E167 HydrophobicContact CB-CB 4.41Å; P164-E167 HydrophobicContact CB-CG 4.13Å; P164-E167 HydrophobicContact CG-CG 4.41Å; P164-E167 WeakPolarHBondContact CG-OE1 3.45Å; P164-E167 WeakPolarHBondContact O-CA 3.37Å; P164-E167 WeakPolarHBondContact O-CB 3.42Å; P164-E167 PolarHBondContact O-N 3.15Å; P164-K168 PolarHBondContact O-N 2.74Å
165L91.3Very high92.3Very high13 Ų1366.2 Ų66.27%0.06837%0.372CS..Hα-helixtrans-63.7-31.2-173.7-164.453.8000112.4G9 V132 Y134 C135 M163 K168 R169G9-L165 VanDerWaalsContact N-CD1 3.28Å; V132-L165 HydrophobicContact CG2-CD1 4.04Å; Y134-L165 HydrophobicContact CD2-CB 4.44Å; Y134-L165 HydrophobicContact CD2-CD2 4.11Å; Y134-L165 HydrophobicContact CD2-CG 3.72Å; Y134-L165 HydrophobicContact CE2-CB 4.49Å; Y134-L165 HydrophobicContact CE2-CG 4.21Å; Y134-L165 HydrophobicContact CG-CG 4.49Å; C135-L165 WeakPolarHBondContact O-CD2 3.35Å; M163-L165 PolarHBondContact O-N 3.23Å; L165-K168 HydrophobicContact CD1-CB 4.47Å; L165-K168 HydrophobicContact CD1-CD 4.24Å; L165-K168 PolarHBondContact O-N 3.07Å; L165-R169 WeakPolarHBondContact O-CB 3.5Å; L165-R169 PolarHBondContact O-N 3.36Å
166N92.4Very high92.6Very high93 Ų9366.3 Ų66.350%0.49737%0.372SS..Hα-helixtrans-63.8-36.8171.4-78.4-38.7000113Y134 P164 R169 G170Y134-N166 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-N166 PolarHBondContact OH-OD1 2.94Å; P164-N166 PolarHBondContact O-N 3.47Å; N166-R169 WeakPolarHBondContact O-CB 3.32Å; N166-R169 PolarHBondContact O-N 2.84Å; N166-G170 PolarHBondContact O-N 2.84Å
167E93.7Very high92.8Very high111 Ų11165 Ų6552%0.51937%0.366SS..Hα-helixtrans-69.6-44.2174.6-69.4179.9-149.200110.7M163 P164 R169 G170 L171M163-E167 HydrophobicContact CG-CB 3.99Å; M163-E167 HydrophobicContact SD-CB 4.38Å; P164-E167 HydrophobicContact CB-CB 4.41Å; P164-E167 HydrophobicContact CB-CG 4.13Å; P164-E167 HydrophobicContact CG-CG 4.41Å; P164-E167 WeakPolarHBondContact CG-OE1 3.45Å; P164-E167 WeakPolarHBondContact O-CA 3.37Å; P164-E167 WeakPolarHBondContact O-CB 3.42Å; P164-E167 PolarHBondContact O-N 3.15Å; E167-R169 PolarHBondContact O-N 2.75Å; E167-G170 PolarHBondContact O-N 2.94Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.48Å
168K93.9Very high93Very high0 Ų058.9 Ų58.90%034%0.338CS..Hα-helixtrans-56.5-38.9173.3-64.3-169.3179.8-168.20111.8G8 P115 F118 E119 V132 M163 P164 L165 G170 L171 A172G8-K168 PolarHBondContact O-NZ 2.9Å; P115-K168 PolarHBondContact O-NZ 2.78Å; P115-K168 VanDerWaalsContact O-NZ 3.12Å; F118-K168 HydrophobicContact CD2-CB 3.97Å; F118-K168 HydrophobicContact CD2-CD 4.48Å; F118-K168 HydrophobicContact CD2-CG 4.03Å; F118-K168 HydrophobicContact CE2-CB 4.3Å; E119-K168 WeakPolarHBondContact OE1-CE 3.39Å; E119-K168 IonicContact OE1-NZ 3.88Å; E119-K168 PolarHBondContact OE1-NZ 2.86Å; E119-K168 IonicContact OE2-NZ 3.62Å; E119-K168 PolarHBondContact OE2-NZ 3.15Å; V132-K168 HydrophobicContact CG2-CB 3.9Å; M163-K168 HydrophobicContact CB-CG 4.31Å; M163-K168 HydrophobicContact CG-CG 3.94Å; M163-K168 WeakPolarHBondContact O-CE 3.41Å; M163-K168 HydrophobicContact SD-CG 3.81Å; P164-K168 PolarHBondContact O-N 2.74Å; L165-K168 HydrophobicContact CD1-CB 4.47Å; L165-K168 HydrophobicContact CD1-CD 4.24Å; L165-K168 PolarHBondContact O-N 3.07Å; K168-G170 VanDerWaalsContact C-N 3.32Å; K168-G170 PolarHBondContact O-N 3.02Å; K168-L171 PolarHBondContact O-N 3.33Å; K168-A172 PolarHBondContact O-N 3.18Å
169R94.1Very high93.2Very high120 Ų12055.3 Ų55.345%0.45333%0.33SS..Hα-helixtrans-58.2-41.8174.5-174.4-176.1143.5167.2-5.4112.5V132 Y134 L165 N166 E167 L171 V175V132-R169 HydrophobicContact CG1-CB 4.5Å; Y134-R169 HydrophobicContact CD2-CB 4.24Å; L165-R169 WeakPolarHBondContact O-CB 3.5Å; L165-R169 PolarHBondContact O-N 3.36Å; N166-R169 WeakPolarHBondContact O-CB 3.32Å; N166-R169 PolarHBondContact O-N 2.84Å; E167-R169 PolarHBondContact O-N 2.75Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 3.19Å; R169-V175 HydrophobicContact CG-CG1 4.15Å; R169-V175 HydrophobicContact CG-CG2 3.73Å
170G93.9Very high93.2Very high71 Ų7155.5 Ų55.573%0.73234%0.34SS*.Hα-helixtrans-70.4-21.2177.200000114.6N166 E167 K168N166-G170 PolarHBondContact O-N 2.84Å; E167-G170 PolarHBondContact O-N 2.94Å; K168-G170 VanDerWaalsContact C-N 3.32Å; K168-G170 PolarHBondContact O-N 3.02Å
171L94.1Very high93.4Very high86 Ų8653.9 Ų53.945%0.4532%0.324SS..Hα-helixtrans-92.3-15-179.3-62.4174.4000113.7F118 M163 E167 K168 R169F118-L171 HydrophobicContact CB-CD1 3.95Å; F118-L171 HydrophobicContact CD1-CB 3.94Å; F118-L171 HydrophobicContact CD1-CD1 4.11Å; F118-L171 HydrophobicContact CD2-CB 4.26Å; F118-L171 HydrophobicContact CD2-CD1 4.42Å; F118-L171 HydrophobicContact CE1-CB 3.77Å; F118-L171 HydrophobicContact CE2-CB 4.09Å; F118-L171 HydrophobicContact CG-CB 4.2Å; F118-L171 HydrophobicContact CG-CD1 3.93Å; F118-L171 HydrophobicContact CZ-CB 3.84Å; M163-L171 HydrophobicContact CE-CD1 4.32Å; M163-L171 HydrophobicContact SD-CD1 3.82Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.48Å; K168-L171 PolarHBondContact O-N 3.33Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 3.19Å
172A95.4Very high93.8Very high18 Ų1857.9 Ų57.915%0.14932%0.32CS..  trans-89.7147.7-173.300000113.1F118 T130 V132 K168F118-A172 HydrophobicContact CE2-CB 4.26Å; F118-A172 HydrophobicContact CZ-CB 4.06Å; T130-A172 WeakPolarHBondContact OG1-CA 3.1Å; V132-A172 HydrophobicContact CB-CB 3.86Å; V132-A172 HydrophobicContact CG1-CB 3.48Å; V132-A172 VanDerWaalsContact CG1-CB 3.48Å; K168-A172 PolarHBondContact O-N 3.18Å
173N96Very high94.2Very high96 Ų9661.6 Ų61.651%0.51334%0.338SS..SBendtrans-74.7-32.5173.7-53.2113.5000112.1H129 T130H129-N173 WeakPolarHBondContact CA-OD1 3.44Å; T130-N173 PolarHBondContact N-OD1 2.71Å; T130-N173 PolarHBondContact O-N 2.9Å; T130-N173 PolarHBondContact OG1-N 2.84Å; T130-N173 PolarHBondContact OG1-OD1 3.13Å
174H97.3Very high94.5Very high24 Ų2462.4 Ų62.411%0.11134%0.343CS..EExtended strand (participates in β ladder)trans-134.6147.2179.2-45.6-89.8000110.3H129 T130 V131 V132 L192 K195H129-H174 AromaticContact CE1-NE2 3.99Å; H129-H174 AromaticContact CG-NE2 3.71Å; H129-H174 AromaticContact ND1-CD2 3.96Å; H129-H174 AromaticContact ND1-CE1 3.87Å; H129-H174 AromaticContact ND1-NE2 2.96Å; H129-H174 PolarHBondContact ND1-NE2 3.47Å; T130-H174 PolarHBondContact O-N 2.85Å; V131-H174 WeakPolarHBondContact CA-O 3.21Å; V131-H174 HydrophobicContact CG2-CB 4.29Å; V132-H174 PolarHBondContact N-O 3.36Å; H174-L192 HydrophobicContact CB-CD1 3.9Å; H174-K195 PolarHBondContact CE1-NZ 3.18Å
175V97.6Very high94.7Very high56 Ų5659.2 Ų59.234%0.33932%0.322SS..EExtended strand (participates in β ladder)trans-124.6131.5179.2-176.10000107.9V132 R169V132-V175 HydrophobicContact CG1-CB 4.25Å; V132-V175 HydrophobicContact CG1-CG1 4.14Å; V132-V175 HydrophobicContact CG1-CG2 3.85Å; V132-V175 WeakPolarHBondContact O-CA 3.43Å; R169-V175 HydrophobicContact CG-CG1 4.15Å; R169-V175 HydrophobicContact CG-CG2 3.73Å
176I97.9Very high95Very high2 Ų262 Ų621%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-107.7115.6168.5-65.5169000107.6V17 V131 V132 Y134 T185 Q188 V189 L192V17-I176 HydrophobicContact CG1-CD1 3.5Å; V17-I176 HydrophobicContact CG2-CD1 4.36Å; V17-I176 HydrophobicContact CG2-CG2 3.88Å; V131-I176 HydrophobicContact CG1-CD1 3.72Å; V131-I176 HydrophobicContact CG1-CG1 4.09Å; V132-I176 PolarHBondContact O-N 2.92Å; Y134-I176 PolarHBondContact N-O 3Å; I176-T185 HydrophobicContact CG2-CG2 3.81Å; I176-Q188 HydrophobicContact CG2-CB 4.31Å; I176-V189 HydrophobicContact CD1-CG2 3.96Å; I176-L192 HydrophobicContact CD1-CD2 3.72Å; I176-L192 HydrophobicContact CG1-CD2 4.36Å
177E96.8Very high95.2Very high59 Ų5965.5 Ų65.528%0.27634%0.341SS..EExtended strand (participates in β ladder)trans-78.4122174.8-17757.5-105.800110.2Y134 S179 T185 Q188Y134-E177 WeakPolarHBondContact CD1-OE2 3.43Å; Y134-E177 WeakPolarHBondContact CE1-OE2 3.19Å; E177-S179 WeakPolarHBondContact OE1-CB 3.26Å; E177-S179 PolarHBondContact OE1-N 3.24Å; E177-S179 PolarHBondContact OE1-OG 3.39Å; E177-T185 PolarHBondContact O-OG1 3.23Å; E177-Q188 PolarHBondContact O-NE2 3.26Å
178N96Very high95.4Very high14 Ų1463 Ų638%0.07533%0.329CS..  trans-127.122.7-176.8-169.748.5000112.4S12 G13 V133 Y134 R143 T185S12-N178 PolarHBondContact O-ND2 2.91Å; G13-N178 WeakPolarHBondContact CA-ND2 3.04Å; V133-N178 HydrophobicContact CG1-CB 3.87Å; Y134-N178 PolarHBondContact O-N 3.4Å; R143-N178 PolarHBondContact NH1-ND2 3.18Å; R143-N178 PolarHBondContact NH1-O 3.4Å; R143-N178 PolarHBondContact NH2-O 3.45Å; N178-T185 HydrophobicContact CB-CG2 4.37Å; N178-T185 PolarHBondContact OD1-OG1 2.92Å
179S92.9Very high95.6Very high37 Ų3763 Ų6326%0.25933%0.329SS..SBendtrans-79.9-26.2167.7-48.50000112.8C135 D136 E177C135-S179 WeakPolarHBondContact CA-OG 3.37Å; D136-S179 PolarHBondContact N-OG 3.19Å; D136-S179 VanDerWaalsContact OD2-CB 3.3Å; D136-S179 WeakPolarHBondContact OD2-CB 3.29Å; D136-S179 PolarHBondContact OD2-OG 3.47Å; E177-S179 WeakPolarHBondContact OE1-CB 3.26Å; E177-S179 PolarHBondContact OE1-N 3.24Å; E177-S179 PolarHBondContact OE1-OG 3.39Å
180G90.5Very high95.8Very high43 Ų4360.3 Ų60.344%0.44332%0.323SS..SBendtrans-85.6-151.5-176.800000114.6
181S92.9Very high96Very high48 Ų4866.7 Ų66.734%0.33633%0.325SS..  trans-73158178.571.90000112.1E183 D184 T185S181-E183 WeakPolarHBondContact CB-OE2 3.38Å; S181-E183 PolarHBondContact O-N 3.36Å; S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.34Å; S181-D184 PolarHBondContact O-N 3.01Å; S181-D184 PolarHBondContact OG-N 3.25Å; S181-D184 VanDerWaalsContact OG-N 3.1Å; S181-D184 PolarHBondContact OG-OD2 3.4Å; S181-T185 PolarHBondContact O-N 3.2Å; S181-T185 PolarHBondContact O-OG1 2.94Å
182R93.5Very high96.2Very high170 Ų17063.2 Ų63.264%0.64231%0.307SS*.Hα-helixtrans-62.3-33.7176.2-174.6176.8175.9-179.5-3.1111M20 T185 H186M20-R182 HydrophobicContact CE-CG 3.67Å; R182-T185 PolarHBondContact O-N 3.02Å; R182-H186 WeakPolarHBondContact O-CB 3.21Å; R182-H186 PolarHBondContact O-N 3.37Å
183E95.6Very high96.3Very high128 Ų12864 Ų6460%0.59831%0.307SS*.Hα-helixtrans-65.2-40.9176.4-65.771.7-157.800111.5S181 H186 R187S181-E183 WeakPolarHBondContact CB-OE2 3.38Å; S181-E183 PolarHBondContact O-N 3.36Å; E183-H186 PolarHBondContact O-N 2.89Å; E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 2.95Å
184D95.5Very high96.3Very high54 Ų5463 Ų6329%0.28931%0.305SS..Hα-helixtrans-62.4-44.6175.4-66.2-40.4000111.7S181 R187 Q188S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.34Å; S181-D184 PolarHBondContact O-N 3.01Å; S181-D184 PolarHBondContact OG-N 3.25Å; S181-D184 VanDerWaalsContact OG-N 3.1Å; S181-D184 PolarHBondContact OG-OD2 3.4Å; D184-R187 PolarHBondContact O-N 3.3Å; D184-R187 IonicContact OD1-CZ 3.35Å; D184-R187 IonicContact OD1-NE 3.63Å; D184-R187 IonicContact OD1-NH2 2.56Å; D184-R187 PolarHBondContact OD1-NH2 3.32Å; D184-Q188 WeakPolarHBondContact O-CG 3.34Å; D184-Q188 PolarHBondContact O-N 3.28Å; D184-Q188 VanDerWaalsContact O-N 3.14Å; D184-Q188 PolarHBondContact O-NE2 3.47Å
185T96.7Very high96.3Very high0 Ų067.9 Ų67.90%033%0.326CS..Hα-helixtrans-63.4-43175.5-57.10000110.9V17 M20 I176 E177 N178 S181 R182 R187 Q188 V189V17-T185 HydrophobicContact CG2-CG2 3.8Å; M20-T185 HydrophobicContact CE-CG2 4.35Å; M20-T185 HydrophobicContact SD-CG2 4.18Å; I176-T185 HydrophobicContact CG2-CG2 3.81Å; E177-T185 PolarHBondContact O-OG1 3.23Å; N178-T185 HydrophobicContact CB-CG2 4.37Å; N178-T185 PolarHBondContact OD1-OG1 2.92Å; S181-T185 PolarHBondContact O-N 3.2Å; S181-T185 PolarHBondContact O-OG1 2.94Å; R182-T185 PolarHBondContact O-N 3.02Å; T185-R187 PolarHBondContact O-N 3.29Å; T185-Q188 WeakPolarHBondContact O-CB 3.44Å; T185-Q188 PolarHBondContact O-N 2.93Å; T185-Q188 VanDerWaalsContact O-N 3.17Å; T185-V189 HydrophobicContact CG2-CG2 4.48Å; T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 3.22Å
186H97.4Very high96.2Very high72 Ų7265.4 Ų65.433%0.33331%0.311SS..Hα-helixtrans-60.4-43.5177.4-175.6-98.4000112.3M20 R182 E183 Q188 V189 L190M20-H186 HydrophobicContact CE-CB 4.38Å; M20-H186 HydrophobicContact SD-CB 4.2Å; R182-H186 WeakPolarHBondContact O-CB 3.21Å; R182-H186 PolarHBondContact O-N 3.37Å; E183-H186 PolarHBondContact O-N 2.89Å; H186-Q188 VanDerWaalsContact C-N 3.31Å; H186-Q188 PolarHBondContact O-N 2.91Å; H186-V189 PolarHBondContact O-N 3.47Å; H186-L190 WeakPolarHBondContact O-CG 3.47Å; H186-L190 PolarHBondContact O-N 3.08Å
187R97.7Very high96Very high166 Ų16668.3 Ų68.363%0.62632%0.324SS*.Hα-helixtrans-60.4-40174.7-72.4-170.3-64.8-171.41.8112.5E183 D184 T185 R191E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 2.95Å; D184-R187 PolarHBondContact O-N 3.3Å; D184-R187 IonicContact OD1-CZ 3.35Å; D184-R187 IonicContact OD1-NE 3.63Å; D184-R187 IonicContact OD1-NH2 2.56Å; D184-R187 PolarHBondContact OD1-NH2 3.32Å; T185-R187 PolarHBondContact O-N 3.29Å; R187-R191 PolarHBondContact O-N 2.91Å
188Q98.3Very high95.8Very high58 Ų5871 Ų7127%0.27134%0.341SS..Hα-helixtrans-67.2-40.6176.1-70.5173.275.200112.1I176 E177 D184 T185 H186 R191 L192I176-Q188 HydrophobicContact CG2-CB 4.31Å; E177-Q188 PolarHBondContact O-NE2 3.26Å; D184-Q188 WeakPolarHBondContact O-CG 3.34Å; D184-Q188 PolarHBondContact O-N 3.28Å; D184-Q188 VanDerWaalsContact O-N 3.14Å; D184-Q188 PolarHBondContact O-NE2 3.47Å; T185-Q188 WeakPolarHBondContact O-CB 3.44Å; T185-Q188 PolarHBondContact O-N 2.93Å; T185-Q188 VanDerWaalsContact O-N 3.17Å; H186-Q188 VanDerWaalsContact C-N 3.31Å; H186-Q188 PolarHBondContact O-N 2.91Å; Q188-R191 PolarHBondContact O-N 2.91Å; Q188-L192 WeakPolarHBondContact O-CB 3.35Å; Q188-L192 PolarHBondContact O-N 3.46Å
189V98.1Very high95.7Very high0 Ų071.3 Ų71.30%034%0.344CS..Hα-helixtrans-61.8-45.5175.5171.70000111.1V17 M20 L21 L24 I176 T185 H186 R191 L192 H193V17-V189 HydrophobicContact CB-CG2 4.45Å; V17-V189 HydrophobicContact CG1-CG2 4Å; V17-V189 HydrophobicContact CG2-CG2 4.24Å; M20-V189 HydrophobicContact CB-CB 4.42Å; M20-V189 HydrophobicContact CB-CG1 3.89Å; M20-V189 HydrophobicContact CB-CG2 4.35Å; M20-V189 HydrophobicContact SD-CB 4.5Å; M20-V189 HydrophobicContact SD-CG2 3.98Å; L21-V189 HydrophobicContact CD2-CG1 3.73Å; L21-V189 HydrophobicContact CG-CG1 3.84Å; L24-V189 HydrophobicContact CD1-CG1 3.95Å; I176-V189 HydrophobicContact CD1-CG2 3.96Å; T185-V189 HydrophobicContact CG2-CG2 4.48Å; T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 3.22Å; H186-V189 PolarHBondContact O-N 3.47Å; V189-R191 PolarHBondContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 2.92Å; V189-H193 WeakPolarHBondContact O-CB 3.31Å; V189-H193 PolarHBondContact O-N 3.5Å
190L97.9Very high95.7Very high64 Ų6475.9 Ų75.934%0.33536%0.362SS..Hα-helixtrans-57.7-48.8174.9-76.4172.8000111.6L24 H186 L192 H193 T194L24-L190 HydrophobicContact CD1-CD2 3.86Å; L24-L190 HydrophobicContact CD2-CD2 3.54Å; L24-L190 HydrophobicContact CG-CD2 4.35Å; H186-L190 WeakPolarHBondContact O-CG 3.47Å; H186-L190 PolarHBondContact O-N 3.08Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.29Å; L190-H193 PolarHBondContact O-N 3.36Å; L190-T194 PolarHBondContact O-N 2.92Å; L190-T194 PolarHBondContact O-OG1 3.42Å; L190-T194 VanDerWaalsContact O-OG1 3.13Å
191R97.9Very high95.7Very high206 Ų20676.8 Ų76.878%0.77736%0.357SS*.Hα-helixtrans-60.1-41.8178.8-172-179.5-172.1179.43.9112.1R187 Q188 V189 K195R187-R191 PolarHBondContact O-N 2.91Å; Q188-R191 PolarHBondContact O-N 2.91Å; V189-R191 PolarHBondContact O-N 3.08Å; R191-K195 WeakPolarHBondContact O-CB 3.35Å; R191-K195 PolarHBondContact O-N 2.99Å; R191-K195 VanDerWaalsContact O-N 3.13Å
192L97.8Very high95.5Very high12 Ų1275.3 Ų75.36%0.06335%0.345CS..Hα-helixtrans-63.4-48.6175.1175.567000110.8V131 H174 I176 Q188 V189 L190 T194 K195 L196V131-L192 HydrophobicContact CB-CD2 4.37Å; V131-L192 HydrophobicContact CG1-CD2 3.67Å; V131-L192 HydrophobicContact CG2-CD1 4.23Å; V131-L192 HydrophobicContact CG2-CD2 3.76Å; H174-L192 HydrophobicContact CB-CD1 3.9Å; I176-L192 HydrophobicContact CD1-CD2 3.72Å; I176-L192 HydrophobicContact CG1-CD2 4.36Å; Q188-L192 WeakPolarHBondContact O-CB 3.35Å; Q188-L192 PolarHBondContact O-N 3.46Å; V189-L192 PolarHBondContact O-N 2.92Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.29Å; L192-T194 PolarHBondContact O-N 3.38Å; L192-K195 PolarHBondContact O-N 3.05Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 4.02Å; L192-L196 HydrophobicContact CD2-CD1 4.4Å; L192-L196 HydrophobicContact CG-CD1 3.84Å; L192-L196 HydrophobicContact CG-CG 4.28Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 2.92Å
193H97.5Very high95.4Very high34 Ų3470.2 Ų70.216%0.15733%0.33CS..Hα-helixtrans-56.3-50.5179.5171.454.6000111.5L21 L24 C26 Y109 V189 L190 K195 L196 E197L21-H193 HydrophobicContact CD2-CB 4.46Å; L24-H193 HydrophobicContact CD1-CB 3.92Å; C26-H193 PolarHBondContact SG-ND1 2.96Å; Y109-H193 AromaticContact CZ-ND1 3.98Å; Y109-H193 PolarHBondContact OH-ND1 2.96Å; V189-H193 WeakPolarHBondContact O-CB 3.31Å; V189-H193 PolarHBondContact O-N 3.5Å; L190-H193 PolarHBondContact O-N 3.36Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 2.88Å; H193-L196 PolarHBondContact O-N 3.13Å; H193-L196 VanDerWaalsContact O-N 3.15Å; H193-E197 VanDerWaalsContact CE1-CG 3.41Å; H193-E197 WeakPolarHBondContact CE1-CG 3.08Å; H193-E197 IonicContact CE1-OE1 3.88Å; H193-E197 PolarHBondContact O-N 3.31Å
194T96.9Very high95Very high75 Ų7569.9 Ų69.946%0.4633%0.332SS..Hα-helixtrans-56.5-46.2176.1-550000111.5L190 L192 L196 E197 D198L190-T194 PolarHBondContact O-N 2.92Å; L190-T194 PolarHBondContact O-OG1 3.42Å; L190-T194 VanDerWaalsContact O-OG1 3.13Å; L192-T194 PolarHBondContact O-N 3.38Å; T194-L196 VanDerWaalsContact C-N 3.32Å; T194-L196 PolarHBondContact O-N 2.79Å; T194-E197 PolarHBondContact O-N 2.81Å; T194-D198 WeakPolarHBondContact O-CB 3.47Å; T194-D198 VanDerWaalsContact O-CG 3.32Å; T194-D198 PolarHBondContact O-N 3.23Å
195K96.4Very high94.6Very high128 Ų12870 Ų7056%0.55734%0.335SS*.Hα-helixtrans-61.8-37.9178.6-174.5179-179.5-175.50112.9H174 R191 L192 H193 S199H174-K195 PolarHBondContact CE1-NZ 3.18Å; R191-K195 WeakPolarHBondContact O-CB 3.35Å; R191-K195 PolarHBondContact O-N 2.99Å; R191-K195 VanDerWaalsContact O-N 3.13Å; L192-K195 PolarHBondContact O-N 3.05Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 2.88Å; K195-S199 PolarHBondContact O-N 3.19Å
196L96.1Very high94.3Very high3 Ų374.2 Ų74.22%0.01635%0.35CS..Hα-helixtrans-73.5-39.7177.8-65.7173.6000111.4F2 V4 Y109 H129 L192 H193 T194 D198 S199F2-L196 HydrophobicContact CE2-CD2 4.1Å; F2-L196 HydrophobicContact CZ-CB 4.35Å; F2-L196 HydrophobicContact CZ-CD2 4.39Å; F2-L196 WeakPolarHBondContact CZ-O 3.44Å; V4-L196 HydrophobicContact CG1-CD1 4.23Å; V4-L196 HydrophobicContact CG2-CD1 4.19Å; V4-L196 HydrophobicContact CG2-CD2 4.14Å; Y109-L196 HydrophobicContact CD1-CB 4.03Å; Y109-L196 HydrophobicContact CE1-CB 3.67Å; Y109-L196 HydrophobicContact CE2-CB 4.47Å; Y109-L196 HydrophobicContact CE2-CD1 4.09Å; H129-L196 HydrophobicContact CB-CD2 4.12Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 4.02Å; L192-L196 HydrophobicContact CD2-CD1 4.4Å; L192-L196 HydrophobicContact CG-CD1 3.84Å; L192-L196 HydrophobicContact CG-CG 4.28Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 2.92Å; H193-L196 PolarHBondContact O-N 3.13Å; H193-L196 VanDerWaalsContact O-N 3.15Å; T194-L196 VanDerWaalsContact C-N 3.32Å; T194-L196 PolarHBondContact O-N 2.79Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-D198 PolarHBondContact O-N 3.44Å; L196-S199 WeakPolarHBondContact O-CB 3.46Å; L196-S199 PolarHBondContact O-N 3.24Å
197E93.6Very high94Very high63 Ų6375 Ų7529%0.29436%0.36SS..Hα-helixtrans-61-41.8173.6-80.6-62.3138.500111.6R108 Y109 H193 T194 S199R108-E197 VanDerWaalsContact CD-OE2 3.27Å; R108-E197 WeakPolarHBondContact CD-OE2 3.49Å; R108-E197 PolarHBondContact NE-O 3.33Å; R108-E197 VanDerWaalsContact NE-O 3.08Å; R108-E197 PolarHBondContact NH1-O 3.23Å; R108-E197 PolarHBondContact NH2-O 3.48Å; Y109-E197 HydrophobicContact CE1-CG 4.12Å; Y109-E197 WeakPolarHBondContact CE1-OE1 3.44Å; H193-E197 VanDerWaalsContact CE1-CG 3.41Å; H193-E197 WeakPolarHBondContact CE1-CG 3.08Å; H193-E197 IonicContact CE1-OE1 3.88Å; H193-E197 PolarHBondContact O-N 3.31Å; T194-E197 PolarHBondContact O-N 2.81Å; E197-S199 PolarHBondContact O-N 2.8Å
198D93.5Very high93.6Very high117 Ų11772.1 Ų72.163%0.62636%0.356SS*.Hα-helixtrans-72.4-14.4178.9-68.9-22.1000113.3T194 L196T194-D198 WeakPolarHBondContact O-CB 3.47Å; T194-D198 VanDerWaalsContact O-CG 3.32Å; T194-D198 PolarHBondContact O-N 3.23Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-D198 PolarHBondContact O-N 3.44Å
199S93.3Very high93.2Very high19 Ų1970.9 Ų70.913%0.13336%0.356CS..  trans-63.3142.7179179.40000112R108 K195 L196 E197 D201 F202R108-S199 PolarHBondContact NH2-O 2.99Å; K195-S199 PolarHBondContact O-N 3.19Å; L196-S199 WeakPolarHBondContact O-CB 3.46Å; L196-S199 PolarHBondContact O-N 3.24Å; E197-S199 PolarHBondContact O-N 2.8Å; S199-D201 WeakPolarHBondContact OG-CB 3.03Å; S199-D201 PolarHBondContact OG-N 3.34Å; S199-D201 VanDerWaalsContact OG-N 3.11Å; S199-D201 PolarHBondContact OG-OD2 2.91Å; S199-F202 WeakPolarHBondContact O-CD1 3.2Å; S199-F202 WeakPolarHBondContact O-CE1 3.18Å
200M91.8Very high92.8Very high133 Ų13376.5 Ų76.566%0.65539%0.385SS*.  trans-95.21.2174.4-68.9-176.781.300113.2F202 L203M200-F202 PolarHBondContact O-N 3.11Å; M200-L203 HydrophobicContact CB-CD1 4Å; M200-L203 HydrophobicContact CE-CD1 3.24Å; M200-L203 HydrophobicContact CG-CD1 4.24Å; M200-L203 VanDerWaalsContact O-CB 3.3Å; M200-L203 WeakPolarHBondContact O-CB 3.38Å; M200-L203 WeakPolarHBondContact O-CG 3.46Å; M200-L203 PolarHBondContact O-N 2.72Å
201D90.9Very high92.5Very high63 Ų6376.5 Ų76.534%0.33739%0.394SS..THydrogen-bonded Turntrans-57.5-24-177-65.3-36.1000113.1F2 H129 S199 L203F2-D201 HydrophobicContact CB-CB 4.03Å; F2-D201 HydrophobicContact CD1-CB 3.7Å; F2-D201 HydrophobicContact CE1-CB 4.23Å; F2-D201 HydrophobicContact CG-CB 3.87Å; H129-D201 IonicContact CD2-OD2 3.18Å; H129-D201 IonicContact CE1-OD2 3.66Å; H129-D201 IonicContact NE2-OD2 2.72Å; H129-D201 PolarHBondContact NE2-OD2 2.98Å; S199-D201 WeakPolarHBondContact OG-CB 3.03Å; S199-D201 PolarHBondContact OG-N 3.34Å; S199-D201 VanDerWaalsContact OG-N 3.11Å; S199-D201 PolarHBondContact OG-OD2 2.91Å; D201-L203 PolarHBondContact O-N 3.4Å
202F89.7Confident92.1Very high16 Ų1669.7 Ų69.77%0.0738%0.382CS..Hα-helixtrans-68.3-22.8177.872.6-83.9000113F2 R108 S199 M200 R206F2-F202 HydrophobicContact CD1-CB 3.88Å; F2-F202 HydrophobicContact CE1-CB 4.47Å; R108-F202 WeakPolarHBondContact O-CB 3.02Å; S199-F202 WeakPolarHBondContact O-CD1 3.2Å; S199-F202 WeakPolarHBondContact O-CE1 3.18Å; M200-F202 PolarHBondContact O-N 3.11Å; F202-R206 HydrophobicContact CD2-CG 4.32Å; F202-R206 WeakPolarHBondContact O-CG 3.47Å; F202-R206 PolarHBondContact O-N 2.78Å
203L90Very high91.8Very high63 Ų6373 Ų7333%0.3340%0.403SS..Hα-helixtrans-67.1-41.7-174.3-72.4176.9000111.9M200 D201 V205 R206 V207M200-L203 HydrophobicContact CB-CD1 4Å; M200-L203 HydrophobicContact CE-CD1 3.24Å; M200-L203 HydrophobicContact CG-CD1 4.24Å; M200-L203 VanDerWaalsContact O-CB 3.3Å; M200-L203 WeakPolarHBondContact O-CB 3.38Å; M200-L203 WeakPolarHBondContact O-CG 3.46Å; M200-L203 PolarHBondContact O-N 2.72Å; D201-L203 PolarHBondContact O-N 3.4Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.36Å; L203-R206 CarbonylContact O-C 3.59Å; L203-R206 PolarHBondContact O-N 2.74Å; L203-V207 WeakPolarHBondContact O-CG2 3.48Å; L203-V207 PolarHBondContact O-N 3.5Å
204L87.6Confident91.5Very high122 Ų12274.5 Ų74.564%0.63942%0.421SS*.Hα-helixtrans-54.9-49.3179.2179.763.4000110.9R206 V207 I208L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.3Å; L204-V207 PolarHBondContact O-N 3.3Å; L204-I208 HydrophobicContact CD1-CD1 4.12Å; L204-I208 HydrophobicContact CG-CD1 4.04Å; L204-I208 VanDerWaalsContact O-CG1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 3.38Å; L204-I208 PolarHBondContact O-N 3.35Å
205V87.5Confident91.3Very high57 Ų5772.9 Ų72.935%0.34542%0.419SS..Hα-helixtrans-63.3-38.6178.2-179.70000111.5M1 F103 L203 A209M1-V205 WeakPolarHBondContact O-CG2 3.32Å; F103-V205 HydrophobicContact CD2-CG1 4.48Å; F103-V205 HydrophobicContact CE2-CG1 3.88Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.36Å; V205-A209 WeakPolarHBondContact O-CB 3.35Å; V205-A209 PolarHBondContact O-N 3Å
206R90.5Very high91.1Very high87 Ų8772.3 Ų72.333%0.32842%0.421SS..Hα-helixtrans-68.5-41.6177.7-73.9-171.2-178.2176.93.5112.4G106 F202 L203 L204 A209 L210G106-R206 PolarHBondContact O-NH2 3.32Å; F202-R206 HydrophobicContact CD2-CG 4.32Å; F202-R206 WeakPolarHBondContact O-CG 3.47Å; F202-R206 PolarHBondContact O-N 2.78Å; L203-R206 CarbonylContact O-C 3.59Å; L203-R206 PolarHBondContact O-N 2.74Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.3Å; R206-A209 PolarHBondContact O-N 2.88Å; R206-L210 WeakPolarHBondContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.49Å; R206-L210 PolarHBondContact O-N 3.35Å
207V91.1Very high90.9Very high90 Ų9075.2 Ų75.255%0.54544%0.442SS..Hα-helixtrans-62.6-45.4177170.90000110.4L203 L204 A209 L210 A211L203-V207 WeakPolarHBondContact O-CG2 3.48Å; L203-V207 PolarHBondContact O-N 3.5Å; L204-V207 PolarHBondContact O-N 3.3Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.46Å; V207-L210 PolarHBondContact O-N 3.05Å; V207-A211 WeakPolarHBondContact O-CB 3.37Å; V207-A211 PolarHBondContact O-N 3.02Å
208I89.3Confident90.8Very high105 Ų10574.1 Ų74.154%0.53845%0.448SS..Hα-helixtrans-59.7-46175.4-68167.1000110.7L204 L210 A211 A212L204-I208 HydrophobicContact CD1-CD1 4.12Å; L204-I208 HydrophobicContact CG-CD1 4.04Å; L204-I208 VanDerWaalsContact O-CG1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 3.38Å; L204-I208 PolarHBondContact O-N 3.35Å; I208-L210 PolarHBondContact O-N 3.41Å; I208-A211 PolarHBondContact O-N 3.36Å; I208-A212 WeakPolarHBondContact O-CB 3.3Å; I208-A212 PolarHBondContact O-N 2.75Å
209A88.9Confident90.8Very high32 Ų3274 Ų7426%0.26445%0.447SS..Hα-helixtrans-61.8-44.5178.300000112.2F103 V205 R206 V207 A212 T213F103-A209 HydrophobicContact CZ-CB 3.88Å; V205-A209 WeakPolarHBondContact O-CB 3.35Å; V205-A209 PolarHBondContact O-N 3Å; R206-A209 PolarHBondContact O-N 2.88Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.46Å; A209-A212 PolarHBondContact O-N 2.8Å; A209-T213 WeakPolarHBondContact O-CG2 3.35Å; A209-T213 PolarHBondContact O-N 2.95Å; A209-T213 PolarHBondContact O-OG1 3.01Å
210L90.1Very high90.8Very high118 Ų11878.7 Ų78.762%0.61847%0.47SS*.Hα-helixtrans-61.4-48.2176.8-74.9169.5000111.6R206 V207 I208 A212 T213 A214R206-L210 WeakPolarHBondContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.49Å; R206-L210 PolarHBondContact O-N 3.35Å; V207-L210 PolarHBondContact O-N 3.05Å; I208-L210 PolarHBondContact O-N 3.41Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.33Å; L210-T213 WeakPolarHBondContact CA-OG1 3.41Å; L210-T213 PolarHBondContact O-N 3.01Å; L210-T213 PolarHBondContact O-OG1 3.48Å; L210-A214 PolarHBondContact O-N 3.35Å
211A91.6Very high90.9Very high63 Ų6378.6 Ų78.652%0.52147%0.471SS..Hα-helixtrans-58.8-43.1177.500000111.9V207 I208 A214 G215V207-A211 WeakPolarHBondContact O-CB 3.37Å; V207-A211 PolarHBondContact O-N 3.02Å; I208-A211 PolarHBondContact O-N 3.36Å; A211-A214 PolarHBondContact O-N 3Å; A211-G215 PolarHBondContact O-N 3.38Å
212A90.8Very high91.1Very high64 Ų6482.8 Ų82.853%0.52948%0.483SS..Hα-helixtrans-62-44.6176.500000112I208 A209 L210 G215 L216I208-A212 WeakPolarHBondContact O-CB 3.3Å; I208-A212 PolarHBondContact O-N 2.75Å; A209-A212 PolarHBondContact O-N 2.8Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.33Å; A212-G215 PolarHBondContact O-N 3.21Å; A212-L216 WeakPolarHBondContact O-CB 3.39Å; A212-L216 PolarHBondContact O-N 3.42Å
213T91Very high91.3Very high82 Ų8284.1 Ų84.150%0.50350%0.497SS..Hα-helixtrans-65.1-40177.956.10000112.9A209 L210 S217A209-T213 WeakPolarHBondContact O-CG2 3.35Å; A209-T213 PolarHBondContact O-N 2.95Å; A209-T213 PolarHBondContact O-OG1 3.01Å; L210-T213 WeakPolarHBondContact CA-OG1 3.41Å; L210-T213 PolarHBondContact O-N 3.01Å; L210-T213 PolarHBondContact O-OG1 3.48Å; T213-S217 WeakPolarHBondContact O-CB 3.49Å; T213-S217 PolarHBondContact O-N 3.36Å; T213-S217 PolarHBondContact O-OG 2.97Å
214A91.4Very high91.5Very high64 Ų6483.3 Ų83.353%0.52950%0.499SS..Hα-helixtrans-64.8-44.4176.500000111.4L210 A211 S217 G218L210-A214 PolarHBondContact O-N 3.35Å; A211-A214 PolarHBondContact O-N 3Å; A214-S217 PolarHBondContact O-N 2.94Å; A214-G218 PolarHBondContact O-N 3.41Å
215G91.9Very high91.8Very high41 Ų4185 Ų8542%0.42350%0.501SS..Hα-helixtrans-61.5-44.8176.500000112.9A211 A212 S217 G218 L219A211-G215 PolarHBondContact O-N 3.38Å; A212-G215 PolarHBondContact O-N 3.21Å; G215-S217 VanDerWaalsContact C-N 3.35Å; G215-S217 PolarHBondContact O-N 2.99Å; G215-G218 PolarHBondContact O-N 3.38Å; G215-L219 PolarHBondContact O-N 3.13Å
216L92.4Very high92.1Very high116 Ų11686.6 Ų86.661%0.60751%0.507SS*.Hα-helixtrans-63.5-41.6177.7-150.191.4000111.8A212 L219 L220A212-L216 WeakPolarHBondContact O-CB 3.39Å; A212-L216 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 2.97Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.33Å
217S91.9Very high92.2Very high64 Ų6489.7 Ų89.745%0.44853%0.53SS..Hα-helixtrans-63.8-42.2177-56.50000111.4T213 A214 G215 L220 L221T213-S217 WeakPolarHBondContact O-CB 3.49Å; T213-S217 PolarHBondContact O-N 3.36Å; T213-S217 PolarHBondContact O-OG 2.97Å; A214-S217 PolarHBondContact O-N 2.94Å; G215-S217 VanDerWaalsContact C-N 3.35Å; G215-S217 PolarHBondContact O-N 2.99Å; S217-L220 PolarHBondContact O-N 2.92Å; S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 3.41Å
218G92.3Very high92.1Very high40 Ų4092.9 Ų92.941%0.41254%0.543SS..Hα-helixtrans-61.5-42.917500000112.9A214 G215 L221 Y222A214-G218 PolarHBondContact O-N 3.41Å; G215-G218 PolarHBondContact O-N 3.38Å; G218-L221 PolarHBondContact O-N 3.02Å; G218-Y222 WeakPolarHBondContact O-CB 3.42Å; G218-Y222 PolarHBondContact O-N 3.45Å
219L93.1Very high91.7Very high116 Ų11694.4 Ų94.461%0.60756%0.563SS**Hα-helixtrans-62.7-42.6176-78.2166.7000112.4G215 L216 Y222 A223G215-L219 PolarHBondContact O-N 3.13Å; L216-L219 PolarHBondContact O-N 2.97Å; L219-Y222 PolarHBondContact O-N 3.23Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 3.29Å
220L93.6Very high91.8Very high117 Ų11797.6 Ų97.661%0.61358%0.578SS**Hα-helixtrans-63.3-43.5176.7-74.4169.1000111.9L216 S217 Y222 A223 A224L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.33Å; S217-L220 PolarHBondContact O-N 2.92Å; L220-Y222 VanDerWaalsContact C-N 3.34Å; L220-Y222 PolarHBondContact O-N 2.89Å; L220-A223 PolarHBondContact O-N 3.4Å; L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3.5Å
221L93.9Very high91.9Very high130 Ų13096.5 Ų96.568%0.68158%0.576SS**Hα-helixtrans-63.4-40.5175.9-71.4172.7000111.9S217 G218 A224 K225S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 3.41Å; G218-L221 PolarHBondContact O-N 3.02Å; L221-A224 PolarHBondContact O-N 2.98Å; L221-K225 WeakPolarHBondContact O-CB 3.26Å; L221-K225 PolarHBondContact O-N 3.48Å
222Y94.5Very high92Very high152 Ų15298.3 Ų98.360%0.59658%0.579SS**Hα-helixtrans-64.4-45.5176.1179.8-106.1000112G218 L219 L220 K225 L226G218-Y222 WeakPolarHBondContact O-CB 3.42Å; G218-Y222 PolarHBondContact O-N 3.45Å; L219-Y222 PolarHBondContact O-N 3.23Å; L220-Y222 VanDerWaalsContact C-N 3.34Å; L220-Y222 PolarHBondContact O-N 2.89Å; Y222-K225 WeakPolarHBondContact O-CB 3.45Å; Y222-K225 PolarHBondContact O-N 3.33Å; Y222-L226 HydrophobicContact CD1-CD1 3.72Å; Y222-L226 HydrophobicContact CE1-CD1 3.2Å; Y222-L226 HydrophobicContact CE1-CG 4.35Å; Y222-L226 HydrophobicContact CE2-CD1 4.28Å; Y222-L226 HydrophobicContact CG-CD1 4.44Å; Y222-L226 PolarHBondContact O-N 3.39Å
223A93.7Very high92Very high44 Ų44100.4 Ų100.436%0.36458%0.582SS.*Hα-helixtrans-63-41.7176.300000112.1L219 L220 K225 L226 L227L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 3.29Å; L220-A223 PolarHBondContact O-N 3.4Å; A223-K225 VanDerWaalsContact C-N 3.32Å; A223-K225 PolarHBondContact O-N 2.94Å; A223-L226 PolarHBondContact O-N 2.9Å; A223-L227 WeakPolarHBondContact O-CG 3.35Å; A223-L227 PolarHBondContact O-N 3.03Å
224A93.8Very high92.1Very high45 Ų45101.5 Ų101.537%0.37259%0.587SS.*Hα-helixtrans-61.7-40.7174.700000111.6L220 L221 L227 L228L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3.5Å; L221-A224 PolarHBondContact O-N 2.98Å; A224-L227 PolarHBondContact O-N 3.32Å; A224-L228 WeakPolarHBondContact O-CB 3.4Å; A224-L228 WeakPolarHBondContact O-CD1 3.48Å; A224-L228 VanDerWaalsContact O-CG 3.26Å; A224-L228 WeakPolarHBondContact O-CG 3.43Å; A224-L228 PolarHBondContact O-N 3.01Å; A224-L228 VanDerWaalsContact O-N 3.13Å
225K93.7Very high92.1Very high157 Ų157104 Ų10468%0.68359%0.591SS**Hα-helixtrans-63.6-40.7176.3-169.9177.9-179.8-178.70112.3L221 Y222 A223 L228 S229L221-K225 WeakPolarHBondContact O-CB 3.26Å; L221-K225 PolarHBondContact O-N 3.48Å; Y222-K225 WeakPolarHBondContact O-CB 3.45Å; Y222-K225 PolarHBondContact O-N 3.33Å; A223-K225 VanDerWaalsContact C-N 3.32Å; A223-K225 PolarHBondContact O-N 2.94Å; K225-L228 PolarHBondContact O-N 2.99Å; K225-S229 PolarHBondContact O-N 3.34Å; K225-S229 PolarHBondContact O-OG 3.21Å
226L93.6Very high92.2Very high91 Ų91108.5 Ų108.548%0.47660%0.603SS.*Hα-helixtrans-66.1-34175.7-90.1158.6000113.4Y222 A223 L228 S229Y222-L226 HydrophobicContact CD1-CD1 3.72Å; Y222-L226 HydrophobicContact CE1-CD1 3.2Å; Y222-L226 HydrophobicContact CE1-CG 4.35Å; Y222-L226 HydrophobicContact CE2-CD1 4.28Å; Y222-L226 HydrophobicContact CG-CD1 4.44Å; Y222-L226 PolarHBondContact O-N 3.39Å; A223-L226 PolarHBondContact O-N 2.9Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-S229 WeakPolarHBondContact CA-OG 3.5Å; L226-S229 PolarHBondContact O-OG 3.02Å
227L92.5Very high92.1Very high152 Ų152107.9 Ų107.980%0.79660%0.603SS**Hα-helixtrans-76.2-23.5176.9-73.9168.2000112.9A223 A224A223-L227 WeakPolarHBondContact O-CG 3.35Å; A223-L227 PolarHBondContact O-N 3.03Å; A224-L227 PolarHBondContact O-N 3.32Å
228L90.3Very high92.2Very high157 Ų157111.6 Ų111.682%0.82262%0.616SS**  trans-91.8-7.9178.4-69.5168.8000113.2A224 K225 L226A224-L228 WeakPolarHBondContact O-CB 3.4Å; A224-L228 WeakPolarHBondContact O-CD1 3.48Å; A224-L228 VanDerWaalsContact O-CG 3.26Å; A224-L228 WeakPolarHBondContact O-CG 3.43Å; A224-L228 PolarHBondContact O-N 3.01Å; A224-L228 VanDerWaalsContact O-N 3.13Å; K225-L228 PolarHBondContact O-N 2.99Å; L226-L228 VanDerWaalsContact C-N 3.33Å
229S80.8Confident92.1Very high138 Ų138118.1 Ų118.197%0.96563%0.634SS**  trans-100.90175.662.80000111.5K225 L226K225-S229 PolarHBondContact O-N 3.34Å; K225-S229 PolarHBondContact O-OG 3.21Å; L226-S229 WeakPolarHBondContact CA-OG 3.5Å; L226-S229 PolarHBondContact O-OG 3.02Å

Retrieved 229 of 229 residues in 110.6 ms (Link to these results)

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