A0A077ZGK9_TRITR Loading...

Small ribosomal subunit protein uS9

AlphaFold DB , UniProt , Accession A0A077ZGK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M46.9Very low65.1Low246 Ų246132.6 Ų132.6100%1.21275%0.749SS**  086.70-68.9-179.4176.600108A3M1-A3 PolarHBondContact O-N 3.06Å
2T57.5Low65.7Low142 Ų142123 Ų12387%0.87170%0.695SS**  trans-70.5116.3174.4-6.70000106.9Q4T2-Q4 PolarHBondContact O-N 3.28Å
3A65.2Low66Low91 Ų91123.7 Ų123.775%0.75269%0.689SS**  trans-53.9118.8169.500000106.7M1 E5M1-A3 PolarHBondContact O-N 3.06Å; A3-E5 PolarHBondContact O-N 2.87Å
4Q63.1Low65.9Low188 Ų188116.3 Ų116.388%0.87965%0.649SS**  trans-58.8110.8171.7-75-162.9-1300106.8T2 K6T2-Q4 PolarHBondContact O-N 3.28Å; Q4-K6 VanDerWaalsContact C-N 3.33Å; Q4-K6 PolarHBondContact O-N 2.91Å
5E58.7Low65.2Low193 Ų193117 Ų11790%0.90264%0.643SS**  trans-63.199.4176.6-164.4173.4-171.300107A3 A7A3-E5 PolarHBondContact O-N 2.87Å; E5-A7 PolarHBondContact O-N 3.17Å; E5-A7 VanDerWaalsContact O-N 3.17Å
6K64.8Low64.1Low196 Ų196109.9 Ų109.985%0.85260%0.604SS**  trans-72.3114.1-175.6-158.1172.7-172172.10106.8Q4Q4-K6 VanDerWaalsContact C-N 3.33Å; Q4-K6 PolarHBondContact O-N 2.91Å
7A69Low62.9Low81 Ų81114.7 Ų114.767%0.66961%0.611SS**  trans-46.1139.3176.500000110.5E5 A9E5-A7 PolarHBondContact O-N 3.17Å; E5-A7 VanDerWaalsContact O-N 3.17Å; A7-A9 PolarHBondContact O-N 2.82Å
8P72.1Confident61.6Low121 Ų121110.8 Ų110.879%0.78659%0.588SS**  trans-57127.6-175.222.6-33000109.8Q10P8-Q10 PolarHBondContact O-N 3.2Å
9A70.1Confident60.2Low85 Ų85105.4 Ų105.470%0.70256%0.56SS**  trans-62.2107.7-179.200000109.8A7 S11A7-A9 PolarHBondContact O-N 2.82Å; A9-S11 PolarHBondContact O-N 2.66Å; A9-S11 PolarHBondContact O-OG 3.2Å
10Q74.8Confident58.6Low84 Ų84101.2 Ų101.239%0.39354%0.537SS..  trans-64106.5174.2-69.9-170.21.900108.8P8 K35 N36 Y108P8-Q10 PolarHBondContact O-N 3.2Å; Q10-K35 WeakPolarHBondContact O-CA 3.38Å; Q10-N36 WeakPolarHBondContact CB-OD1 3.5Å; Q10-N36 PolarHBondContact O-N 3.33Å; Q10-N36 PolarHBondContact O-OD1 3.15Å; Q10-N36 PolarHBondContact OE1-ND2 3Å; Q10-N36 PolarHBondContact OE1-OD1 2.94Å; Q10-Y108 WeakPolarHBondContact CA-OH 3.25Å; Q10-Y108 HydrophobicContact CB-CD1 4.07Å; Q10-Y108 HydrophobicContact CB-CD2 4.37Å; Q10-Y108 HydrophobicContact CB-CE1 3.71Å; Q10-Y108 HydrophobicContact CB-CE2 4Å; Q10-Y108 HydrophobicContact CB-CG 4.4Å; Q10-Y108 HydrophobicContact CG-CD1 3.77Å; Q10-Y108 HydrophobicContact CG-CE1 3.54Å; Q10-Y108 HydrophobicContact CG-CG 4.48Å
11S73.7Confident57.1Low32 Ų3299.3 Ų99.322%0.22453%0.527CS..EExtended strand (participates in β ladder)trans-145143.4-179.262.10000111.9A9 Y33 C34 K107 Y108A9-S11 PolarHBondContact O-N 2.66Å; A9-S11 PolarHBondContact O-OG 3.2Å; S11-Y33 WeakPolarHBondContact CB-OH 3.5Å; S11-Y33 PolarHBondContact OG-OH 2.73Å; S11-C34 CarbonylContact C-O 3.46Å; S11-C34 VanDerWaalsContact CA-O 3.28Å; S11-C34 WeakPolarHBondContact CA-O 3.24Å; S11-K107 PolarHBondContact O-NZ 3.21Å; S11-Y108 PolarHBondContact N-OH 3Å; S11-Y108 PolarHBondContact O-OH 3.47Å; S11-Y108 VanDerWaalsContact O-OH 3.07Å
12V72.3Confident56.1Low17 Ų1797.2 Ų97.210%0.10351%0.507CS..EExtended strand (participates in β ladder)trans-126.4125.8176.4-168.10000108.6V14 C34 A103 Y104 K107 Y108V12-V14 HydrophobicContact CB-CG2 4.49Å; V12-V14 HydrophobicContact CG1-CG2 3.68Å; V12-C34 PolarHBondContact N-O 2.87Å; V12-C34 PolarHBondContact O-N 2.88Å; V12-A103 HydrophobicContact CG1-CB 3.87Å; V12-Y104 HydrophobicContact CG2-CD2 4.31Å; V12-K107 HydrophobicContact CG2-CB 4.33Å; V12-K107 HydrophobicContact CG2-CD 3.98Å; V12-Y108 HydrophobicContact CG2-CD2 3.93Å; V12-Y108 HydrophobicContact CG2-CE2 3.4Å; V12-Y108 VanDerWaalsContact CG2-CE2 3.4Å
13Q70.2Confident54.7Low132 Ų132101.4 Ų101.462%0.61751%0.507SS*.EExtended strand (participates in β ladder)trans-95.2124.4166.9-47.5-152.2-11.400108.4Y33Q13-Y33 HydrophobicContact CB-CD2 4.49Å; Q13-Y33 HydrophobicContact CG-CD2 3.64Å; Q13-Y33 HydrophobicContact CG-CE2 3.8Å
14V64.9Low53.4Low20 Ų20105.5 Ų105.512%0.12151%0.508CS..EExtended strand (participates in β ladder)trans-122.8128.1177.5-165.90000109.8V12 G16 A32 K99 A103V12-V14 HydrophobicContact CB-CG2 4.49Å; V12-V14 HydrophobicContact CG1-CG2 3.68Å; V14-G16 PolarHBondContact O-N 3.12Å; V14-A32 PolarHBondContact N-O 2.75Å; V14-A32 PolarHBondContact O-N 2.93Å; V14-A32 VanDerWaalsContact O-O 3.07Å; V14-K99 HydrophobicContact CG1-CB 3.81Å; V14-A103 HydrophobicContact CG1-CB 4.43Å; V14-A103 HydrophobicContact CG2-CB 3.37Å
15F55.3Low52.6Low127 Ų127101.2 Ų101.256%0.55749%0.486SS*.EExtended strand (participates in β ladder)trans-82.3110.1172.3-62.4-81.5000109.7R17 V31F15-R17 HydrophobicContact CB-CG 4.48Å; F15-R17 PolarHBondContact O-N 3.06Å; F15-V31 HydrophobicContact CD1-CG1 4.2Å; F15-V31 HydrophobicContact CD1-CG2 4.09Å; F15-V31 HydrophobicContact CE1-CG1 4.35Å
16G48Very low52.6Low3 Ų397.4 Ų97.43%0.03147%0.467CS..EExtended strand (participates in β ladder)trans-72.279.7160.700000109.7V14 K18 A30V14-G16 PolarHBondContact O-N 3.12Å; G16-K18 PolarHBondContact O-N 3.12Å; G16-A30 CarbonylContact C-O 3.55Å; G16-A30 VanDerWaalsContact C-O 3.25Å; G16-A30 WeakPolarHBondContact CA-O 3.41Å; G16-A30 PolarHBondContact N-O 3.44Å; G16-A30 PolarHBondContact O-N 2.84Å
17R42.6Very low53.1Low192 Ų19293 Ų9373%0.72546%0.456SS*.  trans-72.4109168.2-75.6-174.8179.5156.30.2109.7F15 Q95 A131F15-R17 HydrophobicContact CB-CG 4.48Å; F15-R17 PolarHBondContact O-N 3.06Å; R17-Q95 PolarHBondContact O-OE1 3.38Å; R17-A131 WeakPolarHBondContact O-CB 3.03Å
18K39.2Very low53.9Low45 Ų4589.3 Ų89.320%0.19643%0.426CS..  trans41.997.8151.4-164.9164.7175.6179.30117.2G16 L20 A131G16-K18 PolarHBondContact O-N 3.12Å; K18-L20 HydrophobicContact CG-CD2 4.32Å; K18-A131 WeakPolarHBondContact O-CB 3.42Å
19V36Very low54.4Low8 Ų887 Ų875%0.04841%0.41CS..  trans-81.7138.8156.2-170.80000108.9I21 Y91 Q95V19-I21 HydrophobicContact CG1-CD1 4.48Å; V19-I21 HydrophobicContact CG1-CG1 4.38Å; V19-Y91 WeakPolarHBondContact CG2-O 3.29Å; V19-Q95 HydrophobicContact CG2-CB 3.06Å; V19-Q95 HydrophobicContact CG2-CG 3.63Å; V19-Q95 VanDerWaalsContact N-OE1 3.1Å
20L27.2Very low55.4Low21 Ų2183 Ų8311%0.1138%0.377CS..  trans-111.8132.8158.9-49.6167.5000109K18 D132 R134K18-L20 HydrophobicContact CG-CD2 4.32Å; L20-D132 HydrophobicContact CB-CB 3.49Å; L20-D132 VanDerWaalsContact CB-CB 3.49Å; L20-D132 WeakPolarHBondContact CB-OD2 3.36Å; L20-D132 HydrophobicContact CD1-CB 3.85Å; L20-D132 HydrophobicContact CG-CB 3.77Å; L20-R134 HydrophobicContact CD1-CB 4.38Å; L20-R134 WeakPolarHBondContact CD1-O 3.1Å
21I28Very low56Low62 Ų6281.5 Ų81.532%0.31837%0.373SS..  trans-116152.7160.1-82.1169000107.9V19 Y91V19-I21 HydrophobicContact CG1-CD1 4.48Å; V19-I21 HydrophobicContact CG1-CG1 4.38Å; I21-Y91 HydrophobicContact CB-CD2 3.91Å; I21-Y91 HydrophobicContact CB-CE1 4.46Å; I21-Y91 HydrophobicContact CB-CE2 3.78Å; I21-Y91 HydrophobicContact CB-CG 4.28Å; I21-Y91 HydrophobicContact CD1-CD1 3.18Å; I21-Y91 HydrophobicContact CD1-CD2 4.09Å; I21-Y91 HydrophobicContact CD1-CE1 3.05Å; I21-Y91 HydrophobicContact CD1-CE2 3.99Å; I21-Y91 HydrophobicContact CD1-CG 3.69Å; I21-Y91 VanDerWaalsContact CD1-CZ 3.47Å; I21-Y91 HydrophobicContact CG1-CD1 4.28Å; I21-Y91 HydrophobicContact CG1-CD2 4.46Å; I21-Y91 HydrophobicContact CG1-CE1 4.26Å; I21-Y91 HydrophobicContact CG1-CE2 4.44Å; I21-Y91 HydrophobicContact CG1-CG 4.35Å; I21-Y91 HydrophobicContact CG2-CD2 4.35Å; I21-Y91 HydrophobicContact CG2-CE2 3.7Å
22Y25.6Very low56.8Low201 Ų20180 Ų8079%0.78836%0.363SS*.SBendtrans-16.1126.9-171.8-88.2-96.8000117.9F24Y22-F24 PolarHBondContact O-N 3.24Å
23R28.2Very low57.5Low230 Ų23082.5 Ų82.587%0.86837%0.371SS*.SBendtrans29.377.8160.3-160.8176.5-178.4-156.30.1117.9
24F38.4Very low58.3Low178 Ų17876.2 Ų76.278%0.78134%0.341SS*.SBend179.6111.6122.7-98.6-76.9000105Y22 K26Y22-F24 PolarHBondContact O-N 3.24Å; F24-K26 PolarHBondContact O-N 3.2Å
25K45.2Very low59.3Low98 Ų9877.9 Ų77.943%0.42635%0.347SS..  trans-60.9123.7-168.2-75153.2-178.1150.70111.4R135 C136K25-R135 PolarHBondContact NZ-O 3.35Å; K25-C136 HydrophobicContact CD-CB 4.24Å; K25-C136 WeakPolarHBondContact CD-SG 3.47Å; K25-C136 VanDerWaalsContact CE-N 3.26Å; K25-C136 PolarHBondContact NZ-SG 3.36Å
26K58.6Low60.8Low113 Ų11374.8 Ų74.849%0.49134%0.336SS..  trans-125.9140.5177.8-65.9-89.4-176174.40110.6F24 A28 A88F24-K26 PolarHBondContact O-N 3.2Å; K26-A28 PolarHBondContact O-N 2.87Å; K26-A28 VanDerWaalsContact O-N 3.12Å; K26-A88 HydrophobicContact CB-CB 3.57Å; K26-A88 HydrophobicContact CG-CB 4.23Å
27T75Confident62.6Low102 Ų10276 Ų7663%0.62635%0.348SS*.  trans-8343.3-175.545.60000112.8G83 G84T27-G83 CarbonylContact O-C 3.54Å; T27-G84 PolarHBondContact O-N 3.32Å
28A85.8Confident64.7Low4 Ų477.6 Ų77.63%0.03336%0.355CS..  trans-76.4128.2176.900000110.6K26 R82 A88 Q89 A92K26-A28 PolarHBondContact O-N 2.87Å; K26-A28 VanDerWaalsContact O-N 3.12Å; A28-R82 WeakPolarHBondContact CA-O 3.32Å; A28-A88 HydrophobicContact CB-CB 3.91Å; A28-Q89 HydrophobicContact CB-CG 4.09Å; A28-A92 HydrophobicContact CB-CB 4.15Å
29T84.1Confident66.9Low73 Ų7376.8 Ų76.845%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-119.3133.9172.953.40000109V81 R82T29-V81 CarbonylContact O-C 3.25Å; T29-V81 VanDerWaalsContact O-CA 3.29Å; T29-V81 WeakPolarHBondContact O-CA 3.45Å; T29-R82 PolarHBondContact N-O 3.16Å; T29-R82 PolarHBondContact O-N 2.81Å; T29-R82 PolarHBondContact OG1-O 3.02Å
30A89.6Confident69.5Low1 Ų180.9 Ų80.91%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-125.2129.9175.700000109.1G16 I79 R80 V81 A92 A96G16-A30 CarbonylContact C-O 3.55Å; G16-A30 VanDerWaalsContact C-O 3.25Å; G16-A30 WeakPolarHBondContact CA-O 3.41Å; G16-A30 PolarHBondContact N-O 3.44Å; G16-A30 PolarHBondContact O-N 2.84Å; A30-I79 HydrophobicContact CB-CG2 4.22Å; A30-R80 CarbonylContact C-O 3.54Å; A30-R80 VanDerWaalsContact CA-O 3.32Å; A30-R80 WeakPolarHBondContact CA-O 3.43Å; A30-V81 HydrophobicContact CB-CG2 4.1Å; A30-A92 HydrophobicContact CB-CB 3.76Å; A30-A92 WeakPolarHBondContact CB-O 3.29Å; A30-A96 HydrophobicContact CB-CB 3.79Å
31V88.5Confident72.5Confident53 Ų5380.9 Ų80.932%0.32138%0.38SS..EExtended strand (participates in β ladder)trans-117.6122.2177.3-177.60000107.2F15 I79 R80F15-V31 HydrophobicContact CD1-CG1 4.2Å; F15-V31 HydrophobicContact CD1-CG2 4.09Å; F15-V31 HydrophobicContact CE1-CG1 4.35Å; V31-I79 CarbonylContact O-C 3.52Å; V31-I79 VanDerWaalsContact O-CA 3.27Å; V31-I79 WeakPolarHBondContact O-CA 3.49Å; V31-R80 PolarHBondContact N-O 3.11Å; V31-R80 PolarHBondContact O-N 3.27Å
32A89.5Confident75.6Confident0 Ų082.3 Ų82.30%038%0.384CS..EExtended strand (participates in β ladder)trans-104.3129.8178.500000110V14 I77 I79 A96 A100V14-A32 PolarHBondContact N-O 2.75Å; V14-A32 PolarHBondContact O-N 2.93Å; V14-A32 VanDerWaalsContact O-O 3.07Å; A32-I77 HydrophobicContact CB-CG2 4.24Å; A32-I79 HydrophobicContact CB-CG1 4.03Å; A32-A96 HydrophobicContact CB-CB 4.08Å; A32-A100 HydrophobicContact CB-CB 3.88Å
33Y88.6Confident78.7Confident70 Ų7072.9 Ų72.928%0.27535%0.347SS..EExtended strand (participates in β ladder)trans-108.2117.1171.2-178-96.9000108.1S11 Q13 K35 I77 R78S11-Y33 WeakPolarHBondContact CB-OH 3.5Å; S11-Y33 PolarHBondContact OG-OH 2.73Å; Q13-Y33 HydrophobicContact CB-CD2 4.49Å; Q13-Y33 HydrophobicContact CG-CD2 3.64Å; Q13-Y33 HydrophobicContact CG-CE2 3.8Å; Y33-K35 HydrophobicContact CE1-CB 4.02Å; Y33-K35 HydrophobicContact CE1-CD 4.14Å; Y33-K35 HydrophobicContact CE1-CG 4.34Å; Y33-I77 CarbonylContact O-C 3.58Å; Y33-I77 WeakPolarHBondContact O-CA 3.24Å; Y33-R78 PolarHBondContact N-O 3Å; Y33-R78 PolarHBondContact O-N 3.06Å
34C86.8Confident81.7Confident0 Ų066.2 Ų66.20%033%0.329CS..EExtended strand (participates in β ladder)trans-108136178.7-57.60000109.4S11 V12 V75 D76 A100S11-C34 CarbonylContact C-O 3.46Å; S11-C34 VanDerWaalsContact CA-O 3.28Å; S11-C34 WeakPolarHBondContact CA-O 3.24Å; V12-C34 PolarHBondContact N-O 2.87Å; V12-C34 PolarHBondContact O-N 2.88Å; C34-V75 HydrophobicContact CB-CG1 4.06Å; C34-D76 WeakPolarHBondContact CA-O 3.15Å; C34-A100 WeakPolarHBondContact SG-CB 3.27Å
35K86Confident84.2Confident54 Ų5460.6 Ų60.624%0.23532%0.321CS..EExtended strand (participates in β ladder)trans-140.7156.7172.765.8179.6-174.272.30108.7Q10 Y33 G37 V75 D76Q10-K35 WeakPolarHBondContact O-CA 3.38Å; Y33-K35 HydrophobicContact CE1-CB 4.02Å; Y33-K35 HydrophobicContact CE1-CD 4.14Å; Y33-K35 HydrophobicContact CE1-CG 4.34Å; K35-G37 PolarHBondContact O-N 3.47Å; K35-V75 WeakPolarHBondContact O-CG1 3.34Å; K35-D76 HydrophobicContact CG-CB 3.86Å; K35-D76 PolarHBondContact N-O 3.42Å; K35-D76 IonicContact NZ-OD2 2.87Å; K35-D76 PolarHBondContact NZ-OD2 2.92Å; K35-D76 PolarHBondContact O-N 3.31Å
36N86Confident86.4Confident62 Ų6263.3 Ų63.333%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-58.1139.2169.4-56.945.1000109.1Q10 Y104Q10-N36 WeakPolarHBondContact CB-OD1 3.5Å; Q10-N36 PolarHBondContact O-N 3.33Å; Q10-N36 PolarHBondContact O-OD1 3.15Å; Q10-N36 PolarHBondContact OE1-ND2 3Å; Q10-N36 PolarHBondContact OE1-OD1 2.94Å; N36-Y104 PolarHBondContact ND2-OH 3.45Å; N36-Y104 VanDerWaalsContact OD1-CE2 3.24Å; N36-Y104 WeakPolarHBondContact OD1-CE2 3.36Å; N36-Y104 PolarHBondContact OD1-OH 3.45Å; N36-Y104 VanDerWaalsContact OD1-OH 3.14Å
37G86.4Confident88Confident28 Ų2860 Ų6029%0.28932%0.319SS..SBendtrans-173.5-153.8-16900000113.4K35 E74 D76K35-G37 PolarHBondContact O-N 3.47Å; G37-E74 PolarHBondContact N-O 3.25Å; G37-E74 CarbonylContact O-C 3.36Å; G37-D76 WeakPolarHBondContact CA-OD1 3.46Å
38R86.6Confident88.5Confident226 Ų22655.8 Ų55.885%0.85329%0.292SS*.SBendtrans-116.815.4-174.6-61-176.6178.6-178.4-1.6112.6A73 D76R38-A73 CarbonylContact C-O 2.99Å; R38-A73 VanDerWaalsContact CA-O 3.25Å; R38-A73 WeakPolarHBondContact CA-O 3.49Å; R38-D76 PolarHBondContact N-OD1 2.89Å
39G85.8Confident88.6Confident28 Ų2860 Ų6029%0.28931%0.314SS..SBendtrans88.421.7-177.500000115.4I41 F72 A73 V75 D76G39-I41 PolarHBondContact O-N 3Å; G39-F72 WeakPolarHBondContact CA-O 3.28Å; G39-A73 PolarHBondContact N-O 3.14Å; G39-A73 VanDerWaalsContact N-O 3.15Å; G39-V75 VanDerWaalsContact CA-O 3.24Å; G39-V75 WeakPolarHBondContact CA-O 3.38Å; G39-D76 PolarHBondContact N-OD1 3.22Å; G39-D76 VanDerWaalsContact N-OD1 3.16Å
40L89.5Confident88.8Confident95 Ų9562.4 Ų62.450%0.49732%0.322SS..  trans-79.2113.9178.6-73.4155.2000111.4D76 I77L40-D76 HydrophobicContact CB-CB 4.42Å; L40-D76 WeakPolarHBondContact CB-OD1 2.92Å; L40-D76 PolarHBondContact N-OD1 3.07Å; L40-D76 CarbonylContact O-C 3.58Å; L40-D76 WeakPolarHBondContact O-CA 3.42Å; L40-I77 PolarHBondContact O-N 3.2Å
41I90.8Very high88.6Confident20 Ų2063.5 Ų63.510%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-107.6119.9175.5-51.3173.6000110.7G39 L48 L64 F72 I77 L97G39-I41 PolarHBondContact O-N 3Å; I41-L48 HydrophobicContact CB-CD1 3.86Å; I41-L48 HydrophobicContact CB-CG 4.11Å; I41-L48 HydrophobicContact CD1-CD1 3.99Å; I41-L48 HydrophobicContact CG2-CD1 3.58Å; I41-L48 HydrophobicContact CG2-CD2 3.95Å; I41-L48 HydrophobicContact CG2-CG 3.65Å; I41-L64 HydrophobicContact CD1-CD1 4.14Å; I41-L64 HydrophobicContact CD1-CD2 3.52Å; I41-L64 HydrophobicContact CD1-CG 4.37Å; I41-F72 HydrophobicContact CD1-CD1 3.98Å; I41-F72 HydrophobicContact CD1-CE1 4.33Å; I41-I77 CarbonylContact C-O 3.53Å; I41-I77 VanDerWaalsContact CA-O 3.32Å; I41-I77 WeakPolarHBondContact CA-O 3.07Å; I41-I77 HydrophobicContact CG1-CB 4.31Å; I41-I77 HydrophobicContact CG2-CB 4.29Å; I41-L97 HydrophobicContact CD1-CD2 4.41Å; I41-L97 HydrophobicContact CG2-CD2 3.78Å
42K92Very high88.5Confident92 Ų9266.4 Ų66.440%0.434%0.337SS..EExtended strand (participates in β ladder)trans-129.8136.5179.5-62.1-172.9-179.2-171.60111.6R46 I77 R78 I79K42-R46 CarbonylContact C-O 3.45Å; K42-R46 VanDerWaalsContact CA-O 3.27Å; K42-R46 WeakPolarHBondContact CA-O 3.35Å; K42-I77 PolarHBondContact N-O 3.46Å; K42-R78 CarbonylContact O-C 3.56Å; K42-R78 WeakPolarHBondContact O-CA 3.39Å; K42-I79 PolarHBondContact O-N 3.37Å
43V91.2Very high88.4Confident3 Ų368.3 Ų68.32%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-114.4119.2173.6179.20000108.9G45 R46 L48 L51 I79 V81 I93V43-G45 PolarHBondContact O-N 3.15Å; V43-R46 PolarHBondContact N-O 3.07Å; V43-R46 PolarHBondContact O-N 3Å; V43-L48 HydrophobicContact CG2-CD2 3.68Å; V43-L51 HydrophobicContact CB-CD1 3.86Å; V43-L51 HydrophobicContact CB-CD2 4.02Å; V43-L51 HydrophobicContact CB-CG 4.45Å; V43-L51 HydrophobicContact CG1-CD1 4.18Å; V43-L51 HydrophobicContact CG1-CD2 3.95Å; V43-L51 HydrophobicContact CG2-CD1 3.72Å; V43-I79 CarbonylContact C-O 3.59Å; V43-I79 WeakPolarHBondContact CA-O 3.35Å; V43-I79 HydrophobicContact CG2-CB 4.07Å; V43-I79 HydrophobicContact CG2-CD1 4.36Å; V43-V81 HydrophobicContact CG1-CG2 3.75Å; V43-I93 HydrophobicContact CG1-CD1 3.69Å; V43-I93 HydrophobicContact CG1-CG1 4.14Å; V43-I93 HydrophobicContact CG2-CD1 4.32Å; V43-I93 HydrophobicContact CG2-CG1 4.49Å; V43-I93 HydrophobicContact CG2-CG2 3.91Å
44N91.4Very high88.3Confident91 Ų9167.6 Ų67.649%0.48736%0.358SS..THydrogen-bonded Turntrans47.637.4-176.2-70.6-20000112.9R46 I79 R80 V81N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.45Å; N44-I79 PolarHBondContact N-O 3.35Å; N44-R80 VanDerWaalsContact OD1-CA 3.31Å; N44-R80 WeakPolarHBondContact OD1-CA 3.32Å; N44-V81 PolarHBondContact ND2-O 3.39Å; N44-V81 VanDerWaalsContact ND2-O 3.13Å; N44-V81 PolarHBondContact OD1-N 3.08Å
45G91.1Very high88.4Confident59 Ų5974.5 Ų74.561%0.60839%0.394SS*.THydrogen-bonded Turntrans86.9-12.9-178.900000115.7V43V43-G45 PolarHBondContact O-N 3.15Å
46R91.6Very high88.5Confident155 Ų15573.4 Ų73.459%0.58539%0.39SS*.EExtended strand (participates in β ladder)trans-97.7145.9179.9-59-178-176.4-175.2-0.6111.5K42 V43 N44K42-R46 CarbonylContact C-O 3.45Å; K42-R46 VanDerWaalsContact CA-O 3.27Å; K42-R46 WeakPolarHBondContact CA-O 3.35Å; V43-R46 PolarHBondContact N-O 3.07Å; V43-R46 PolarHBondContact O-N 3Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.45Å
47P91.7Very high88.6Confident45 Ų4574.3 Ų74.329%0.29239%0.389SS..EExtended strand (participates in β ladder)trans-67159.6172.329.5-33.8000111.4D49 M50P47-D49 VanDerWaalsContact C-N 3.27Å; P47-D49 PolarHBondContact O-N 3.06Å; P47-M50 HydrophobicContact CG-CB 4.18Å; P47-M50 HydrophobicContact CG-CE 3.63Å; P47-M50 HydrophobicContact CG-CG 3.77Å; P47-M50 HydrophobicContact CG-SD 3.55Å; P47-M50 VanDerWaalsContact CG-SD 3.55Å; P47-M50 PolarHBondContact O-N 3.25Å
48L86Confident88.8Confident12 Ų1281.2 Ų81.26%0.06341%0.408CS..G310 helixtrans-56.6-39.4-176.3-72.6175.5000113I41 V43 M50 L51 L60 L64 I93 L97I41-L48 HydrophobicContact CB-CD1 3.86Å; I41-L48 HydrophobicContact CB-CG 4.11Å; I41-L48 HydrophobicContact CD1-CD1 3.99Å; I41-L48 HydrophobicContact CG2-CD1 3.58Å; I41-L48 HydrophobicContact CG2-CD2 3.95Å; I41-L48 HydrophobicContact CG2-CG 3.65Å; V43-L48 HydrophobicContact CG2-CD2 3.68Å; L48-M50 PolarHBondContact O-N 3.14Å; L48-L51 HydrophobicContact CD2-CD1 4.1Å; L48-L51 WeakPolarHBondContact O-CB 3.45Å; L48-L51 PolarHBondContact O-N 2.69Å; L48-L60 HydrophobicContact CD2-CD1 4.39Å; L48-L64 HydrophobicContact CD1-CD1 3.76Å; L48-I93 HydrophobicContact CD2-CG2 4.48Å; L48-L97 HydrophobicContact CD1-CD1 4.46Å; L48-L97 HydrophobicContact CD2-CD1 4.29Å
49D87.4Confident88.9Confident94 Ų9473.9 Ų73.950%0.50338%0.382SS..G310 helixtrans-70.1-16.9-175.5-54.5-76.7000113.6P47 R57 Q61P47-D49 VanDerWaalsContact C-N 3.27Å; P47-D49 PolarHBondContact O-N 3.06Å; D49-R57 WeakPolarHBondContact O-CD 3.24Å; D49-R57 PolarHBondContact O-NE 2.95Å; D49-R57 PolarHBondContact O-NH1 2.81Å; D49-R57 VanDerWaalsContact O-NH1 3.07Å; D49-R57 PolarHBondContact O-NH2 2.99Å; D49-Q61 PolarHBondContact OD1-NE2 3.28Å
50M88.8Confident89Confident122 Ų12272.6 Ų72.660%0.60137%0.368SS*.G310 helixtrans-92.50.1178.6-69-179.3-162.800113.6P47 L48P47-M50 HydrophobicContact CG-CB 4.18Å; P47-M50 HydrophobicContact CG-CE 3.63Å; P47-M50 HydrophobicContact CG-CG 3.77Å; P47-M50 HydrophobicContact CG-SD 3.55Å; P47-M50 VanDerWaalsContact CG-SD 3.55Å; P47-M50 PolarHBondContact O-N 3.25Å; L48-M50 PolarHBondContact O-N 3.14Å
51L86Confident89Confident24 Ų2470.8 Ų70.813%0.12636%0.357CS..  trans-73.2150.9-177.7-69.4167000112.2V43 L48 R57 L60 I93V43-L51 HydrophobicContact CB-CD1 3.86Å; V43-L51 HydrophobicContact CB-CD2 4.02Å; V43-L51 HydrophobicContact CB-CG 4.45Å; V43-L51 HydrophobicContact CG1-CD1 4.18Å; V43-L51 HydrophobicContact CG1-CD2 3.95Å; V43-L51 HydrophobicContact CG2-CD1 3.72Å; L48-L51 HydrophobicContact CD2-CD1 4.1Å; L48-L51 WeakPolarHBondContact O-CB 3.45Å; L48-L51 PolarHBondContact O-N 2.69Å; L51-R57 VanDerWaalsContact O-CZ 3.28Å; L51-R57 PolarHBondContact O-NE 3.13Å; L51-R57 PolarHBondContact O-NH2 2.81Å; L51-L60 HydrophobicContact CB-CD1 4.21Å; L51-L60 HydrophobicContact CD1-CD1 3.36Å; L51-L60 HydrophobicContact CG-CD1 4.43Å; L51-I93 HydrophobicContact CD1-CD1 4.24Å
52E85.4Confident89Confident114 Ų11470.5 Ų70.553%0.53336%0.356SS..SBendtrans-112.3147.5177-63.9-174.7151.300110.9K86E52-K86 HydrophobicContact CB-CD 4.31Å; E52-K86 IonicContact OE2-NZ 3.19Å; E52-K86 PolarHBondContact OE2-NZ 2.68Å
53P87.8Confident88.9Confident41 Ų4166.1 Ų66.127%0.26634%0.337SS..  cis-79.3151-3.130.8-37.9000114.3I55 L56 I90P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 2.97Å; P53-L56 HydrophobicContact CG-CB 4.19Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.13Å; P53-L56 PolarHBondContact O-N 2.84Å; P53-L56 VanDerWaalsContact O-N 3.14Å; P53-I90 HydrophobicContact CG-CD1 4.3Å
54A86.1Confident88.8Confident54 Ų5467.5 Ų67.545%0.44634%0.344SS..G310 helixtrans-56.7-37.8-17800000113.8L56 R57A54-L56 PolarHBondContact O-N 2.82Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 WeakPolarHBondContact O-CG 3.5Å; A54-R57 PolarHBondContact O-N 2.75Å; A54-R57 VanDerWaalsContact O-N 3.07Å
55I89Confident88.8Confident146 Ų14669 Ų6975%0.74935%0.351SS*.G310 helixtrans-57.6-34.7-179.2-56.5165.4000111.8P53P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 2.97Å
56L87.9Confident88.8Confident30 Ų3068.3 Ų68.316%0.15733%0.333CS..G310 helixtrans-95.83.3-176.2-67178.7000113.1P53 A54 Y58 K59 V87 I90P53-L56 HydrophobicContact CG-CB 4.19Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.13Å; P53-L56 PolarHBondContact O-N 2.84Å; P53-L56 VanDerWaalsContact O-N 3.14Å; A54-L56 PolarHBondContact O-N 2.82Å; L56-Y58 VanDerWaalsContact C-N 3.29Å; L56-Y58 PolarHBondContact O-N 2.76Å; L56-K59 HydrophobicContact CD2-CG 4.29Å; L56-K59 WeakPolarHBondContact O-CB 3.34Å; L56-K59 PolarHBondContact O-N 2.94Å; L56-K59 VanDerWaalsContact O-N 3.16Å; L56-V87 HydrophobicContact CD1-CB 4.01Å; L56-V87 HydrophobicContact CD1-CG1 3.8Å; L56-V87 HydrophobicContact CD1-CG2 3.73Å; L56-I90 HydrophobicContact CB-CD1 3.34Å; L56-I90 HydrophobicContact CB-CG2 4.14Å; L56-I90 HydrophobicContact CD1-CD1 4Å; L56-I90 HydrophobicContact CG-CD1 4.33Å
57R88.5Confident88.6Confident81 Ų8161.3 Ų61.331%0.30631%0.307SS..Hα-helixtrans-61.6-38.4175.1-71.1175.9-176.3170.4-0.6112D49 L51 A54 K59 L60 Q61D49-R57 WeakPolarHBondContact O-CD 3.24Å; D49-R57 PolarHBondContact O-NE 2.95Å; D49-R57 PolarHBondContact O-NH1 2.81Å; D49-R57 VanDerWaalsContact O-NH1 3.07Å; D49-R57 PolarHBondContact O-NH2 2.99Å; L51-R57 VanDerWaalsContact O-CZ 3.28Å; L51-R57 PolarHBondContact O-NE 3.13Å; L51-R57 PolarHBondContact O-NH2 2.81Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 WeakPolarHBondContact O-CG 3.5Å; A54-R57 PolarHBondContact O-N 2.75Å; A54-R57 VanDerWaalsContact O-N 3.07Å; R57-K59 PolarHBondContact O-N 3.25Å; R57-L60 WeakPolarHBondContact O-CB 3.49Å; R57-L60 PolarHBondContact O-N 2.82Å; R57-Q61 PolarHBondContact O-N 3.07Å
58Y90.1Very high88.4Confident173 Ų17360.4 Ų60.468%0.67831%0.306SS*.Hα-helixtrans-57.1-34.1176.2-67-72.1000112.3L56 L60 Q61 E62L56-Y58 VanDerWaalsContact C-N 3.29Å; L56-Y58 PolarHBondContact O-N 2.76Å; Y58-L60 VanDerWaalsContact C-N 3.26Å; Y58-L60 PolarHBondContact O-N 3.36Å; Y58-Q61 PolarHBondContact O-N 3Å; Y58-Q61 VanDerWaalsContact O-N 3.14Å; Y58-E62 PolarHBondContact O-N 3.19Å
59K88.9Confident88.2Confident72 Ų7267.6 Ų67.631%0.31334%0.337SS..Hα-helixtrans-65.2-26.5174.9-65.8-61.3-178.3-175.50113.6L56 R57 E62 I90 Y91 R94L56-K59 HydrophobicContact CD2-CG 4.29Å; L56-K59 WeakPolarHBondContact O-CB 3.34Å; L56-K59 PolarHBondContact O-N 2.94Å; L56-K59 VanDerWaalsContact O-N 3.16Å; R57-K59 PolarHBondContact O-N 3.25Å; K59-E62 VanDerWaalsContact CD-CD 3.46Å; K59-E62 HydrophobicContact CD-CG 4.48Å; K59-E62 WeakPolarHBondContact CD-OE1 3.43Å; K59-E62 WeakPolarHBondContact CD-OE2 3.08Å; K59-E62 IonicContact NZ-OE1 3.5Å; K59-E62 PolarHBondContact NZ-OE1 3.18Å; K59-I90 HydrophobicContact CB-CG2 4.18Å; K59-Y91 HydrophobicContact CG-CE1 4.41Å; K59-R94 WeakPolarHBondContact O-CD 3.42Å; K59-R94 VanDerWaalsContact O-CG 3.31Å; K59-R94 WeakPolarHBondContact O-CG 3.44Å
60L88.7Confident88Confident1 Ų169.5 Ų69.51%0.00535%0.347CS..Hα-helixtrans-78-28.6174.9-62.3178.3000112.5L48 L51 R57 Y58 P63 I90 I93L48-L60 HydrophobicContact CD2-CD1 4.39Å; L51-L60 HydrophobicContact CB-CD1 4.21Å; L51-L60 HydrophobicContact CD1-CD1 3.36Å; L51-L60 HydrophobicContact CG-CD1 4.43Å; R57-L60 WeakPolarHBondContact O-CB 3.49Å; R57-L60 PolarHBondContact O-N 2.82Å; Y58-L60 VanDerWaalsContact C-N 3.26Å; Y58-L60 PolarHBondContact O-N 3.36Å; L60-P63 WeakPolarHBondContact O-CD 3.28Å; L60-I90 HydrophobicContact CD1-CG1 4.49Å; L60-I90 HydrophobicContact CD2-CB 4.31Å; L60-I90 HydrophobicContact CD2-CG2 3.72Å; L60-I90 WeakPolarHBondContact CD2-O 3.28Å; L60-I90 HydrophobicContact CG-CG2 3.94Å; L60-I93 HydrophobicContact CD2-CB 3.64Å; L60-I93 HydrophobicContact CD2-CD1 4.35Å; L60-I93 HydrophobicContact CD2-CG2 3.55Å
61Q89.5Confident87.7Confident57 Ų5766.8 Ų66.827%0.26633%0.33SS..Hα-helixtrans-80.8-15.7178.8-66.8178.9-11.900112.6D49 R57 Y58 L64 L65D49-Q61 PolarHBondContact OD1-NE2 3.28Å; R57-Q61 PolarHBondContact O-N 3.07Å; Y58-Q61 PolarHBondContact O-N 3Å; Y58-Q61 VanDerWaalsContact O-N 3.14Å; Q61-L64 WeakPolarHBondContact O-CA 3.31Å; Q61-L64 VanDerWaalsContact O-CB 3.32Å; Q61-L64 WeakPolarHBondContact O-CB 3.42Å; Q61-L64 PolarHBondContact O-N 3.41Å; Q61-L65 HydrophobicContact CB-CD1 4.28Å; Q61-L65 WeakPolarHBondContact O-CG 3.32Å; Q61-L65 PolarHBondContact O-N 3.32Å
62E90.4Very high87.5Confident15 Ų1566 Ų667%0.0733%0.326CS..Hα-helixtrans-49.3-51.7179-68.5176.8147.700113.3Y58 K59 L64 L65 I66 R94 Y124Y58-E62 PolarHBondContact O-N 3.19Å; K59-E62 VanDerWaalsContact CD-CD 3.46Å; K59-E62 HydrophobicContact CD-CG 4.48Å; K59-E62 WeakPolarHBondContact CD-OE1 3.43Å; K59-E62 WeakPolarHBondContact CD-OE2 3.08Å; K59-E62 IonicContact NZ-OE1 3.5Å; K59-E62 PolarHBondContact NZ-OE1 3.18Å; E62-L64 PolarHBondContact O-N 3.2Å; E62-L65 PolarHBondContact O-N 3.24Å; E62-I66 HydrophobicContact CB-CD1 4.38Å; E62-I66 VanDerWaalsContact O-CD1 3.29Å; E62-I66 WeakPolarHBondContact O-CD1 3.45Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 3.14Å; E62-R94 VanDerWaalsContact OE2-CD 3.22Å; E62-R94 WeakPolarHBondContact OE2-CD 3.27Å; E62-R94 IonicContact OE2-CZ 3.12Å; E62-R94 IonicContact OE2-NE 3.55Å; E62-R94 IonicContact OE2-NH1 2.69Å; E62-R94 PolarHBondContact OE2-NH1 3.07Å; E62-Y124 PolarHBondContact OE1-OH 2.86Å
63P89.1Confident87.5Confident0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-64.2-28.4179.5-19.433.9000113.4L60 L67 R94 L97 A98 L128L60-P63 WeakPolarHBondContact O-CD 3.28Å; P63-L67 WeakPolarHBondContact O-CG 3.42Å; P63-L67 PolarHBondContact O-N 3.43Å; P63-R94 HydrophobicContact CG-CG 4.04Å; P63-L97 HydrophobicContact CG-CB 4.4Å; P63-A98 HydrophobicContact CB-CB 4.46Å; P63-L128 HydrophobicContact CG-CD2 4.22Å
64L90.3Very high87.3Confident32 Ų3266.7 Ų66.717%0.16834%0.335CS..Hα-helixtrans-71.7-41.4176.5-66.4164.8000111.4I41 L48 Q61 E62 G68 F72I41-L64 HydrophobicContact CD1-CD1 4.14Å; I41-L64 HydrophobicContact CD1-CD2 3.52Å; I41-L64 HydrophobicContact CD1-CG 4.37Å; L48-L64 HydrophobicContact CD1-CD1 3.76Å; Q61-L64 WeakPolarHBondContact O-CA 3.31Å; Q61-L64 VanDerWaalsContact O-CB 3.32Å; Q61-L64 WeakPolarHBondContact O-CB 3.42Å; Q61-L64 PolarHBondContact O-N 3.41Å; E62-L64 PolarHBondContact O-N 3.2Å; L64-G68 CarbonylContact O-C 3.51Å; L64-G68 PolarHBondContact O-N 3.16Å; L64-F72 HydrophobicContact CB-CE2 4.37Å; L64-F72 HydrophobicContact CB-CZ 4.43Å; L64-F72 HydrophobicContact CD2-CB 4.18Å; L64-F72 HydrophobicContact CD2-CD1 3.33Å; L64-F72 HydrophobicContact CD2-CD2 3.6Å; L64-F72 HydrophobicContact CD2-CE1 3.26Å; L64-F72 HydrophobicContact CD2-CE2 3.59Å; L64-F72 HydrophobicContact CD2-CG 3.44Å; L64-F72 VanDerWaalsContact CD2-CG 3.44Å; L64-F72 HydrophobicContact CD2-CZ 3.37Å; L64-F72 HydrophobicContact CG-CE1 4.19Å; L64-F72 HydrophobicContact CG-CE2 4.34Å; L64-F72 HydrophobicContact CG-CZ 4Å
65L90.9Very high87.2Confident122 Ų12264.2 Ų64.264%0.63931%0.314SS*.Hα-helixtrans-71.7-40.7-178.8-67.9168.6000111.8Q61 E62Q61-L65 HydrophobicContact CB-CD1 4.28Å; Q61-L65 WeakPolarHBondContact O-CG 3.32Å; Q61-L65 PolarHBondContact O-N 3.32Å; E62-L65 PolarHBondContact O-N 3.24Å
66I91.4Very high87.3Confident44 Ų4458 Ų5823%0.22628%0.283CS..Hα-helixtrans-69.2-43.1-177.1-64.1158.2000111.7E62 L120 L121 Y124 L128E62-I66 HydrophobicContact CB-CD1 4.38Å; E62-I66 VanDerWaalsContact O-CD1 3.29Å; E62-I66 WeakPolarHBondContact O-CD1 3.45Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 3.14Å; I66-L120 HydrophobicContact CG2-CB 4.42Å; I66-L121 HydrophobicContact CG2-CD2 4.49Å; I66-Y124 HydrophobicContact CD1-CD1 3.28Å; I66-Y124 HydrophobicContact CD1-CD2 4.12Å; I66-Y124 HydrophobicContact CD1-CE1 3.73Å; I66-Y124 HydrophobicContact CD1-CE2 4.5Å; I66-Y124 HydrophobicContact CD1-CG 3.49Å; I66-Y124 VanDerWaalsContact CD1-CG 3.49Å; I66-Y124 HydrophobicContact CG1-CD1 4.36Å; I66-Y124 HydrophobicContact CG1-CD2 4.39Å; I66-Y124 HydrophobicContact CG1-CG 4.16Å; I66-L128 HydrophobicContact CD1-CD1 3.97Å
67L87.4Confident87.3Confident9 Ų956.6 Ų56.65%0.04728%0.275CS..Hα-helixtrans-87.3-10.7-175-59.4175.9000113.2P63 R71 F72 I101 L117 L120 L121P63-L67 WeakPolarHBondContact O-CG 3.42Å; P63-L67 PolarHBondContact O-N 3.43Å; L67-R71 VanDerWaalsContact O-CD 3.28Å; L67-R71 WeakPolarHBondContact O-CD 3.33Å; L67-F72 HydrophobicContact CB-CE2 4.04Å; L67-F72 HydrophobicContact CD1-CE2 4.27Å; L67-F72 HydrophobicContact CD1-CZ 4.3Å; L67-I101 HydrophobicContact CD1-CD1 3.67Å; L67-I101 HydrophobicContact CD1-CG2 4.32Å; L67-L117 HydrophobicContact CB-CD2 4.29Å; L67-L117 HydrophobicContact CD1-CD2 3.87Å; L67-L117 HydrophobicContact CD2-CD2 3.39Å; L67-L117 HydrophobicContact CG-CD2 4.02Å; L67-L120 HydrophobicContact CD2-CB 4.33Å; L67-L121 HydrophobicContact CD1-CD1 4.26Å; L67-L121 HydrophobicContact CD1-CD2 4.1Å; L67-L121 HydrophobicContact CD1-CG 4.38Å; L67-L121 HydrophobicContact CD2-CD1 4.33Å; L67-L121 HydrophobicContact CD2-CD2 3.96Å; L67-L121 HydrophobicContact CD2-CG 3.8Å; L67-L121 HydrophobicContact CG-CD2 4.02Å; L67-L121 HydrophobicContact CG-CG 4.35Å
68G86.8Confident87.4Confident26 Ų2660 Ų6027%0.26829%0.288SS..  trans82.1148.9-173.100000112.7L64 D70 F72L64-G68 CarbonylContact O-C 3.51Å; L64-G68 PolarHBondContact O-N 3.16Å; G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 2.91Å; G68-F72 WeakPolarHBondContact O-CD2 3.4Å
69K81.8Confident87.5Confident163 Ų16352 Ų5271%0.70926%0.257SS*.SBendtrans-68-27.4-177.3-67.8-179.1-179.6176.70112.9R71 F72 A73K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.33Å; K69-F72 PolarHBondContact O-N 2.97Å; K69-F72 VanDerWaalsContact O-N 3.08Å; K69-A73 PolarHBondContact O-N 3.45Å
70D84.1Confident87.6Confident134 Ų13457.2 Ų57.272%0.71728%0.275SS*.Hα-helixtrans-62.5-40.2-175.1-50.5-49.6000111.6G68 F72 A73G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 2.91Å; D70-F72 PolarHBondContact O-N 3.24Å; D70-F72 VanDerWaalsContact O-N 3.15Å; D70-A73 WeakPolarHBondContact O-CB 3.38Å; D70-A73 PolarHBondContact O-N 3.19Å; D70-A73 VanDerWaalsContact O-N 3.12Å
71R81.4Confident87.6Confident65 Ų6557.5 Ų57.525%0.24528%0.276CS..Hα-helixtrans-65.9-18.1178.5-59.5-168.6-178.7-171.6-8.2113.6L67 K69 Y105 E116L67-R71 VanDerWaalsContact O-CD 3.28Å; L67-R71 WeakPolarHBondContact O-CD 3.33Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.33Å; R71-Y105 WeakPolarHBondContact CA-OH 3.47Å; R71-Y105 HydrophobicContact CB-CE2 4.46Å; R71-Y105 WeakPolarHBondContact CB-OH 3.45Å; R71-E116 IonicContact NH2-OE2 2.66Å
72F82.3Confident87.5Confident7 Ų763.6 Ų63.63%0.03130%0.297CS..Hα-helixtrans-97.1-19.3176.6-70.3-97.2000113.1G39 I41 L64 L67 G68 K69 D70 E74 V75 I77 I101G39-F72 WeakPolarHBondContact CA-O 3.28Å; I41-F72 HydrophobicContact CD1-CD1 3.98Å; I41-F72 HydrophobicContact CD1-CE1 4.33Å; L64-F72 HydrophobicContact CB-CE2 4.37Å; L64-F72 HydrophobicContact CB-CZ 4.43Å; L64-F72 HydrophobicContact CD2-CB 4.18Å; L64-F72 HydrophobicContact CD2-CD1 3.33Å; L64-F72 HydrophobicContact CD2-CD2 3.6Å; L64-F72 HydrophobicContact CD2-CE1 3.26Å; L64-F72 HydrophobicContact CD2-CE2 3.59Å; L64-F72 HydrophobicContact CD2-CG 3.44Å; L64-F72 VanDerWaalsContact CD2-CG 3.44Å; L64-F72 HydrophobicContact CD2-CZ 3.37Å; L64-F72 HydrophobicContact CG-CE1 4.19Å; L64-F72 HydrophobicContact CG-CE2 4.34Å; L64-F72 HydrophobicContact CG-CZ 4Å; L67-F72 HydrophobicContact CB-CE2 4.04Å; L67-F72 HydrophobicContact CD1-CE2 4.27Å; L67-F72 HydrophobicContact CD1-CZ 4.3Å; G68-F72 WeakPolarHBondContact O-CD2 3.4Å; K69-F72 PolarHBondContact O-N 2.97Å; K69-F72 VanDerWaalsContact O-N 3.08Å; D70-F72 PolarHBondContact O-N 3.24Å; D70-F72 VanDerWaalsContact O-N 3.15Å; F72-E74 PolarHBondContact O-N 3.31Å; F72-E74 VanDerWaalsContact O-N 3.12Å; F72-V75 PolarHBondContact O-N 2.76Å; F72-I77 HydrophobicContact CD1-CD1 4.14Å; F72-I77 HydrophobicContact CE1-CD1 4.16Å; F72-I101 HydrophobicContact CD1-CD1 4.14Å; F72-I101 HydrophobicContact CD1-CG1 4.16Å; F72-I101 HydrophobicContact CE1-CD1 3.1Å; F72-I101 HydrophobicContact CE1-CG1 3.54Å; F72-I101 HydrophobicContact CE2-CD1 3.96Å; F72-I101 HydrophobicContact CZ-CD1 3.01Å; F72-I101 HydrophobicContact CZ-CG1 3.88Å
73A84.4Confident87.4Confident56 Ų5664.7 Ų64.746%0.46331%0.313SS..Hα-helixtrans-59.5-27.6-176.800000112.5R38 G39 K69 D70R38-A73 CarbonylContact C-O 2.99Å; R38-A73 VanDerWaalsContact CA-O 3.25Å; R38-A73 WeakPolarHBondContact CA-O 3.49Å; G39-A73 PolarHBondContact N-O 3.14Å; G39-A73 VanDerWaalsContact N-O 3.15Å; K69-A73 PolarHBondContact O-N 3.45Å; D70-A73 WeakPolarHBondContact O-CB 3.38Å; D70-A73 PolarHBondContact O-N 3.19Å; D70-A73 VanDerWaalsContact O-N 3.12Å
74E84.8Confident87.1Confident114 Ų11466.2 Ų66.253%0.53333%0.328SS..THydrogen-bonded Turntrans-88.2-7.2-178.6-58.3179.8173.300113.9G37 F72G37-E74 PolarHBondContact N-O 3.25Å; G37-E74 CarbonylContact O-C 3.36Å; F72-E74 PolarHBondContact O-N 3.31Å; F72-E74 VanDerWaalsContact O-N 3.12Å
75V84.3Confident86.9Confident2 Ų265.8 Ų65.81%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-130124.6-167.3-171.60000112C34 K35 G39 F72 I77 Y104C34-V75 HydrophobicContact CB-CG1 4.06Å; K35-V75 WeakPolarHBondContact O-CG1 3.34Å; G39-V75 VanDerWaalsContact CA-O 3.24Å; G39-V75 WeakPolarHBondContact CA-O 3.38Å; F72-V75 PolarHBondContact O-N 2.76Å; V75-I77 HydrophobicContact CG1-CG1 4.01Å; V75-Y104 HydrophobicContact CG1-CD2 4.32Å; V75-Y104 HydrophobicContact CG1-CG 4.44Å; V75-Y104 HydrophobicContact CG2-CD1 3.66Å; V75-Y104 HydrophobicContact CG2-CD2 4.37Å; V75-Y104 HydrophobicContact CG2-CE1 3.45Å; V75-Y104 VanDerWaalsContact CG2-CE1 3.45Å; V75-Y104 HydrophobicContact CG2-CE2 4.19Å; V75-Y104 HydrophobicContact CG2-CG 4.12Å
76D89.8Confident86.7Confident16 Ų1665.4 Ų65.49%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-89.7132.1167.1-70.5-10.9000110.4C34 K35 G37 R38 G39 L40C34-D76 WeakPolarHBondContact CA-O 3.15Å; K35-D76 HydrophobicContact CG-CB 3.86Å; K35-D76 PolarHBondContact N-O 3.42Å; K35-D76 IonicContact NZ-OD2 2.87Å; K35-D76 PolarHBondContact NZ-OD2 2.92Å; K35-D76 PolarHBondContact O-N 3.31Å; G37-D76 WeakPolarHBondContact CA-OD1 3.46Å; R38-D76 PolarHBondContact N-OD1 2.89Å; G39-D76 PolarHBondContact N-OD1 3.22Å; G39-D76 VanDerWaalsContact N-OD1 3.16Å; L40-D76 HydrophobicContact CB-CB 4.42Å; L40-D76 WeakPolarHBondContact CB-OD1 2.92Å; L40-D76 PolarHBondContact N-OD1 3.07Å; L40-D76 CarbonylContact O-C 3.58Å; L40-D76 WeakPolarHBondContact O-CA 3.42Å
77I89.2Confident86.5Confident0 Ų067 Ų670%034%0.336CS..EExtended strand (participates in β ladder)trans-121.2119.2-179.4-52177.4000110.3A32 Y33 L40 I41 K42 F72 V75 I79 L97 A100 I101A32-I77 HydrophobicContact CB-CG2 4.24Å; Y33-I77 CarbonylContact O-C 3.58Å; Y33-I77 WeakPolarHBondContact O-CA 3.24Å; L40-I77 PolarHBondContact O-N 3.2Å; I41-I77 CarbonylContact C-O 3.53Å; I41-I77 VanDerWaalsContact CA-O 3.32Å; I41-I77 WeakPolarHBondContact CA-O 3.07Å; I41-I77 HydrophobicContact CG1-CB 4.31Å; I41-I77 HydrophobicContact CG2-CB 4.29Å; K42-I77 PolarHBondContact N-O 3.46Å; F72-I77 HydrophobicContact CD1-CD1 4.14Å; F72-I77 HydrophobicContact CE1-CD1 4.16Å; V75-I77 HydrophobicContact CG1-CG1 4.01Å; I77-I79 HydrophobicContact CG2-CD1 4.12Å; I77-I79 HydrophobicContact CG2-CG1 3.79Å; I77-L97 HydrophobicContact CD1-CD2 4.02Å; I77-L97 HydrophobicContact CG2-CD2 4.11Å; I77-A100 HydrophobicContact CD1-CB 4.3Å; I77-A100 HydrophobicContact CG2-CB 4.37Å; I77-I101 HydrophobicContact CD1-CG1 4.16Å
78R90.7Very high86.4Confident153 Ų15367.5 Ų67.558%0.57734%0.342SS*.EExtended strand (participates in β ladder)trans-107.5120.3171.5-67.4-179.4179.1176.1-1.7109.8Y33 K42Y33-R78 PolarHBondContact N-O 3Å; Y33-R78 PolarHBondContact O-N 3.06Å; K42-R78 CarbonylContact O-C 3.56Å; K42-R78 WeakPolarHBondContact O-CA 3.39Å
79I90.7Very high86.5Confident3 Ų368.9 Ų68.92%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-111.4129.9-178.6-53.7-178.1000109.4A30 V31 A32 K42 V43 N44 I77 V81 I93 A96 L97A30-I79 HydrophobicContact CB-CG2 4.22Å; V31-I79 CarbonylContact O-C 3.52Å; V31-I79 VanDerWaalsContact O-CA 3.27Å; V31-I79 WeakPolarHBondContact O-CA 3.49Å; A32-I79 HydrophobicContact CB-CG1 4.03Å; K42-I79 PolarHBondContact O-N 3.37Å; V43-I79 CarbonylContact C-O 3.59Å; V43-I79 WeakPolarHBondContact CA-O 3.35Å; V43-I79 HydrophobicContact CG2-CB 4.07Å; V43-I79 HydrophobicContact CG2-CD1 4.36Å; N44-I79 PolarHBondContact N-O 3.35Å; I77-I79 HydrophobicContact CG2-CD1 4.12Å; I77-I79 HydrophobicContact CG2-CG1 3.79Å; I79-V81 HydrophobicContact CG2-CG2 3.8Å; I79-I93 HydrophobicContact CD1-CG2 3.82Å; I79-I93 HydrophobicContact CG2-CG1 4.35Å; I79-A96 HydrophobicContact CG2-CB 4.46Å; I79-L97 HydrophobicContact CD1-CD1 4.39Å; I79-L97 HydrophobicContact CD1-CD2 3.48Å; I79-L97 VanDerWaalsContact CD1-CD2 3.48Å; I79-L97 HydrophobicContact CD1-CG 3.52Å
80R90.6Very high86.9Confident183 Ų18361.3 Ų61.369%0.69131%0.309SS*.EExtended strand (participates in β ladder)trans-105.9130.2168.6-71.4-174174.7-179.1-1109.5A30 V31 N44A30-R80 CarbonylContact C-O 3.54Å; A30-R80 VanDerWaalsContact CA-O 3.32Å; A30-R80 WeakPolarHBondContact CA-O 3.43Å; V31-R80 PolarHBondContact N-O 3.11Å; V31-R80 PolarHBondContact O-N 3.27Å; N44-R80 VanDerWaalsContact OD1-CA 3.31Å; N44-R80 WeakPolarHBondContact OD1-CA 3.32Å
81V89.5Confident87.1Confident7 Ų756.5 Ų56.54%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-125.7133.6-178-170.30000109.9T29 A30 V43 N44 I79 Q89 I93T29-V81 CarbonylContact O-C 3.25Å; T29-V81 VanDerWaalsContact O-CA 3.29Å; T29-V81 WeakPolarHBondContact O-CA 3.45Å; A30-V81 HydrophobicContact CB-CG2 4.1Å; V43-V81 HydrophobicContact CG1-CG2 3.75Å; N44-V81 PolarHBondContact ND2-O 3.39Å; N44-V81 VanDerWaalsContact ND2-O 3.13Å; N44-V81 PolarHBondContact OD1-N 3.08Å; I79-V81 HydrophobicContact CG2-CG2 3.8Å; V81-Q89 HydrophobicContact CG1-CB 3.72Å; V81-Q89 HydrophobicContact CG1-CG 3.6Å; V81-I93 HydrophobicContact CG2-CD1 3.84Å; V81-I93 HydrophobicContact CG2-CG1 3.34Å
82R88Confident87.4Confident184 Ų18453.5 Ų53.569%0.69427%0.27SS*.EExtended strand (participates in β ladder)trans-139.5152.9178.2-64.8-171.7176.1-152.5-1.8111.4A28 T29A28-R82 WeakPolarHBondContact CA-O 3.32Å; T29-R82 PolarHBondContact N-O 3.16Å; T29-R82 PolarHBondContact O-N 2.81Å; T29-R82 PolarHBondContact OG1-O 3.02Å
83G87.3Confident87.8Confident39 Ų3953.4 Ų53.440%0.40227%0.269SS..SBendtrans70.9178.4175.700000114.7T27 Q89T27-G83 CarbonylContact O-C 3.54Å; G83-Q89 WeakPolarHBondContact O-CG 3.1Å; G83-Q89 PolarHBondContact O-NE2 2.92Å
84G82.7Confident88.1Confident31 Ų3150.9 Ų50.932%0.3225%0.248SC..SBendtrans61.8-163.3-175.700000114.3T27T27-G84 PolarHBondContact O-N 3.32Å
85G86.1Confident88.3Confident24 Ų2445.5 Ų45.525%0.24722%0.223CC..  trans-112.4170173.500000111.6V87 A88 Q89G85-V87 VanDerWaalsContact C-N 3.3Å; G85-V87 PolarHBondContact O-N 3.09Å; G85-V87 VanDerWaalsContact O-N 3.16Å; G85-A88 PolarHBondContact O-N 3.35Å; G85-Q89 WeakPolarHBondContact O-CG 3.29Å; G85-Q89 PolarHBondContact O-N 2.86Å
86K86.9Confident88.5Confident113 Ų11345.4 Ų45.449%0.49122%0.222SC..Hα-helixtrans-48.6-46.5-174.4-65.4-174.1-179.4-176.10113.6E52 A88 Q89 I90E52-K86 HydrophobicContact CB-CD 4.31Å; E52-K86 IonicContact OE2-NZ 3.19Å; E52-K86 PolarHBondContact OE2-NZ 2.68Å; K86-A88 PolarHBondContact O-N 3.36Å; K86-Q89 WeakPolarHBondContact O-CB 3.21Å; K86-Q89 PolarHBondContact O-N 3.47Å; K86-I90 WeakPolarHBondContact O-CG1 3.32Å; K86-I90 PolarHBondContact O-N 2.87Å
87V87.7Confident88.5Confident77 Ų7744.6 Ų44.647%0.46722%0.218SC..Hα-helixtrans-60.6-46.6177.7-178.60000112.2L56 G85 Q89 I90 Y91L56-V87 HydrophobicContact CD1-CB 4.01Å; L56-V87 HydrophobicContact CD1-CG1 3.8Å; L56-V87 HydrophobicContact CD1-CG2 3.73Å; G85-V87 VanDerWaalsContact C-N 3.3Å; G85-V87 PolarHBondContact O-N 3.09Å; G85-V87 VanDerWaalsContact O-N 3.16Å; V87-Q89 VanDerWaalsContact C-N 3.32Å; V87-Q89 PolarHBondContact O-N 3.08Å; V87-I90 PolarHBondContact O-N 2.81Å; V87-Y91 HydrophobicContact CG1-CD2 4.05Å; V87-Y91 HydrophobicContact CG1-CE2 3.66Å; V87-Y91 WeakPolarHBondContact O-CD2 3.21Å; V87-Y91 PolarHBondContact O-N 2.95Å
88A85.9Confident88.5Confident21 Ų2144.6 Ų44.617%0.17422%0.218CC..Hα-helixtrans-68-34.9179.800000112.1K26 A28 G85 K86 Y91 A92K26-A88 HydrophobicContact CB-CB 3.57Å; K26-A88 HydrophobicContact CG-CB 4.23Å; A28-A88 HydrophobicContact CB-CB 3.91Å; G85-A88 PolarHBondContact O-N 3.35Å; K86-A88 PolarHBondContact O-N 3.36Å; A88-Y91 PolarHBondContact O-N 2.85Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.09Å
89Q88.2Confident88.5Confident55 Ų5539.3 Ų39.326%0.25720%0.199SC..Hα-helixtrans-62.7-42.7174.1-71.3-179.2-500111.3A28 V81 G83 G85 K86 V87 Y91 A92 I93A28-Q89 HydrophobicContact CB-CG 4.09Å; V81-Q89 HydrophobicContact CG1-CB 3.72Å; V81-Q89 HydrophobicContact CG1-CG 3.6Å; G83-Q89 WeakPolarHBondContact O-CG 3.1Å; G83-Q89 PolarHBondContact O-NE2 2.92Å; G85-Q89 WeakPolarHBondContact O-CG 3.29Å; G85-Q89 PolarHBondContact O-N 2.86Å; K86-Q89 WeakPolarHBondContact O-CB 3.21Å; K86-Q89 PolarHBondContact O-N 3.47Å; V87-Q89 VanDerWaalsContact C-N 3.32Å; V87-Q89 PolarHBondContact O-N 3.08Å; Q89-Y91 PolarHBondContact O-N 3.37Å; Q89-A92 PolarHBondContact O-N 3.03Å; Q89-I93 WeakPolarHBondContact O-CD1 3.13Å; Q89-I93 WeakPolarHBondContact O-CG1 3.5Å; Q89-I93 PolarHBondContact O-N 2.95Å
90I89.7Confident88.4Confident4 Ų439.2 Ų39.22%0.02120%0.198CC..Hα-helixtrans-58.8-47.6176.5-73.7175.9000111.6P53 L56 K59 L60 K86 V87 A92 I93 R94P53-I90 HydrophobicContact CG-CD1 4.3Å; L56-I90 HydrophobicContact CB-CD1 3.34Å; L56-I90 HydrophobicContact CB-CG2 4.14Å; L56-I90 HydrophobicContact CD1-CD1 4Å; L56-I90 HydrophobicContact CG-CD1 4.33Å; K59-I90 HydrophobicContact CB-CG2 4.18Å; L60-I90 HydrophobicContact CD1-CG1 4.49Å; L60-I90 HydrophobicContact CD2-CB 4.31Å; L60-I90 HydrophobicContact CD2-CG2 3.72Å; L60-I90 WeakPolarHBondContact CD2-O 3.28Å; L60-I90 HydrophobicContact CG-CG2 3.94Å; K86-I90 WeakPolarHBondContact O-CG1 3.32Å; K86-I90 PolarHBondContact O-N 2.87Å; V87-I90 PolarHBondContact O-N 2.81Å; I90-A92 VanDerWaalsContact C-N 3.32Å; I90-A92 PolarHBondContact O-N 3.27Å; I90-I93 PolarHBondContact O-N 3.03Å; I90-R94 WeakPolarHBondContact O-CB 3.41Å; I90-R94 PolarHBondContact O-N 3.24Å
91Y89.1Confident88.3Confident33 Ų3330.6 Ų30.613%0.12917%0.166CC..Hα-helixtrans-65.2-36.2177.3-68.6-57.8000112.8V19 I21 K59 V87 A88 Q89 R94 Q95V19-Y91 WeakPolarHBondContact CG2-O 3.29Å; I21-Y91 HydrophobicContact CB-CD2 3.91Å; I21-Y91 HydrophobicContact CB-CE1 4.46Å; I21-Y91 HydrophobicContact CB-CE2 3.78Å; I21-Y91 HydrophobicContact CB-CG 4.28Å; I21-Y91 HydrophobicContact CD1-CD1 3.18Å; I21-Y91 HydrophobicContact CD1-CD2 4.09Å; I21-Y91 HydrophobicContact CD1-CE1 3.05Å; I21-Y91 HydrophobicContact CD1-CE2 3.99Å; I21-Y91 HydrophobicContact CD1-CG 3.69Å; I21-Y91 VanDerWaalsContact CD1-CZ 3.47Å; I21-Y91 HydrophobicContact CG1-CD1 4.28Å; I21-Y91 HydrophobicContact CG1-CD2 4.46Å; I21-Y91 HydrophobicContact CG1-CE1 4.26Å; I21-Y91 HydrophobicContact CG1-CE2 4.44Å; I21-Y91 HydrophobicContact CG1-CG 4.35Å; I21-Y91 HydrophobicContact CG2-CD2 4.35Å; I21-Y91 HydrophobicContact CG2-CE2 3.7Å; K59-Y91 HydrophobicContact CG-CE1 4.41Å; V87-Y91 HydrophobicContact CG1-CD2 4.05Å; V87-Y91 HydrophobicContact CG1-CE2 3.66Å; V87-Y91 WeakPolarHBondContact O-CD2 3.21Å; V87-Y91 PolarHBondContact O-N 2.95Å; A88-Y91 PolarHBondContact O-N 2.85Å; Q89-Y91 PolarHBondContact O-N 3.37Å; Y91-R94 WeakPolarHBondContact O-CB 3.2Å; Y91-R94 PolarHBondContact O-N 2.84Å; Y91-Q95 PolarHBondContact O-N 2.73Å
92A88.6Confident88.3Confident1 Ų130.9 Ų30.91%0.00817%0.168CC..Hα-helixtrans-64.2-42.2173.300000112.2A28 A30 A88 Q89 I90 Q95 A96A28-A92 HydrophobicContact CB-CB 4.15Å; A30-A92 HydrophobicContact CB-CB 3.76Å; A30-A92 WeakPolarHBondContact CB-O 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.09Å; Q89-A92 PolarHBondContact O-N 3.03Å; I90-A92 VanDerWaalsContact C-N 3.32Å; I90-A92 PolarHBondContact O-N 3.27Å; A92-Q95 PolarHBondContact O-N 3.13Å; A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.48Å; A92-A96 PolarHBondContact O-N 3.37Å
93I89.8Confident88.3Confident5 Ų523.4 Ų23.43%0.02615%0.146CC..Hα-helixtrans-61.8-46.4175-65157.7000110.2V43 L48 L51 L60 I79 V81 Q89 I90 Q95 A96 L97V43-I93 HydrophobicContact CG1-CD1 3.69Å; V43-I93 HydrophobicContact CG1-CG1 4.14Å; V43-I93 HydrophobicContact CG2-CD1 4.32Å; V43-I93 HydrophobicContact CG2-CG1 4.49Å; V43-I93 HydrophobicContact CG2-CG2 3.91Å; L48-I93 HydrophobicContact CD2-CG2 4.48Å; L51-I93 HydrophobicContact CD1-CD1 4.24Å; L60-I93 HydrophobicContact CD2-CB 3.64Å; L60-I93 HydrophobicContact CD2-CD1 4.35Å; L60-I93 HydrophobicContact CD2-CG2 3.55Å; I79-I93 HydrophobicContact CD1-CG2 3.82Å; I79-I93 HydrophobicContact CG2-CG1 4.35Å; V81-I93 HydrophobicContact CG2-CD1 3.84Å; V81-I93 HydrophobicContact CG2-CG1 3.34Å; Q89-I93 WeakPolarHBondContact O-CD1 3.13Å; Q89-I93 WeakPolarHBondContact O-CG1 3.5Å; Q89-I93 PolarHBondContact O-N 2.95Å; I90-I93 PolarHBondContact O-N 3.03Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.04Å; I93-A96 WeakPolarHBondContact O-CB 3.4Å; I93-A96 PolarHBondContact O-N 2.97Å; I93-A96 VanDerWaalsContact O-N 3.08Å; I93-L97 HydrophobicContact CG2-CD1 4.09Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 PolarHBondContact O-N 3.01Å
94R89.6Confident88.3Confident4 Ų421.9 Ų21.92%0.01513%0.128CC..Hα-helixtrans-52.7-47.9179.1-175-178.272.6148.98.7111.8K59 E62 P63 I90 Y91 A98 D125 S127 L128K59-R94 WeakPolarHBondContact O-CD 3.42Å; K59-R94 VanDerWaalsContact O-CG 3.31Å; K59-R94 WeakPolarHBondContact O-CG 3.44Å; E62-R94 VanDerWaalsContact OE2-CD 3.22Å; E62-R94 WeakPolarHBondContact OE2-CD 3.27Å; E62-R94 IonicContact OE2-CZ 3.12Å; E62-R94 IonicContact OE2-NE 3.55Å; E62-R94 IonicContact OE2-NH1 2.69Å; E62-R94 PolarHBondContact OE2-NH1 3.07Å; P63-R94 HydrophobicContact CG-CG 4.04Å; I90-R94 WeakPolarHBondContact O-CB 3.41Å; I90-R94 PolarHBondContact O-N 3.24Å; Y91-R94 WeakPolarHBondContact O-CB 3.2Å; Y91-R94 PolarHBondContact O-N 2.84Å; R94-A98 PolarHBondContact O-N 2.88Å; R94-D125 IonicContact CZ-OD2 3.41Å; R94-D125 IonicContact NH1-OD2 2.68Å; R94-D125 PolarHBondContact NH1-OD2 2.91Å; R94-D125 IonicContact NH2-OD2 3.61Å; R94-D125 PolarHBondContact NH2-OD2 2.98Å; R94-S127 PolarHBondContact NH2-OG 3.31Å; R94-L128 HydrophobicContact CG-CD2 3.48Å; R94-L128 VanDerWaalsContact CG-CD2 3.48Å
95Q89.1Confident88.4Confident0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-73.1-35.3176.8-176.2-168.735.400113R17 V19 Y91 A92 I93 L97 A98 K99 L128 L129R17-Q95 PolarHBondContact O-OE1 3.38Å; V19-Q95 HydrophobicContact CG2-CB 3.06Å; V19-Q95 HydrophobicContact CG2-CG 3.63Å; V19-Q95 VanDerWaalsContact N-OE1 3.1Å; Y91-Q95 PolarHBondContact O-N 2.73Å; A92-Q95 PolarHBondContact O-N 3.13Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.04Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.01Å; Q95-A98 PolarHBondContact O-N 3.26Å; Q95-K99 HydrophobicContact CG-CD 4.02Å; Q95-K99 HydrophobicContact CG-CG 4.36Å; Q95-K99 WeakPolarHBondContact O-CB 3.39Å; Q95-K99 WeakPolarHBondContact O-CG 3.22Å; Q95-K99 PolarHBondContact O-N 3.33Å; Q95-L128 WeakPolarHBondContact CG-O 2.79Å; Q95-L129 PolarHBondContact NE2-O 3.1Å
96A89.8Confident88.4Confident0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-61.5-40.9176.200000111.2A30 A32 I79 A92 I93 A100A30-A96 HydrophobicContact CB-CB 3.79Å; A32-A96 HydrophobicContact CB-CB 4.08Å; I79-A96 HydrophobicContact CG2-CB 4.46Å; A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.48Å; A92-A96 PolarHBondContact O-N 3.37Å; I93-A96 WeakPolarHBondContact O-CB 3.4Å; I93-A96 PolarHBondContact O-N 2.97Å; I93-A96 VanDerWaalsContact O-N 3.08Å; A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 3.47Å
97L89.7Confident88.3Confident0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-61-51.9174.1-77.4169.6000112.2I41 L48 P63 I77 I79 I93 Q95 K99 A100 I101I41-L97 HydrophobicContact CD1-CD2 4.41Å; I41-L97 HydrophobicContact CG2-CD2 3.78Å; L48-L97 HydrophobicContact CD1-CD1 4.46Å; L48-L97 HydrophobicContact CD2-CD1 4.29Å; P63-L97 HydrophobicContact CG-CB 4.4Å; I77-L97 HydrophobicContact CD1-CD2 4.02Å; I77-L97 HydrophobicContact CG2-CD2 4.11Å; I79-L97 HydrophobicContact CD1-CD1 4.39Å; I79-L97 HydrophobicContact CD1-CD2 3.48Å; I79-L97 VanDerWaalsContact CD1-CD2 3.48Å; I79-L97 HydrophobicContact CD1-CG 3.52Å; I93-L97 HydrophobicContact CG2-CD1 4.09Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 PolarHBondContact O-N 3.01Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.01Å; L97-K99 PolarHBondContact O-N 3.36Å; L97-A100 VanDerWaalsContact O-CB 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.16Å; L97-A100 PolarHBondContact O-N 3.41Å; L97-I101 WeakPolarHBondContact O-CD1 3.36Å; L97-I101 WeakPolarHBondContact O-CG1 3.47Å; L97-I101 PolarHBondContact O-N 3.18Å
98A89.7Confident88.1Confident0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-59.4-45.7179.900000112P63 R94 Q95 A100 V102 L121 L128 L129P63-A98 HydrophobicContact CB-CB 4.46Å; R94-A98 PolarHBondContact O-N 2.88Å; Q95-A98 PolarHBondContact O-N 3.26Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 3.43Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.48Å; A98-L121 HydrophobicContact CB-CD1 4.15Å; A98-L121 HydrophobicContact CB-CD2 4.36Å; A98-L128 HydrophobicContact CB-CB 4.05Å; A98-L128 WeakPolarHBondContact CB-O 3.31Å; A98-L129 HydrophobicContact CB-CD2 4.26Å
99K89.7Confident87.8Confident42 Ų4225.9 Ų25.918%0.18313%0.125CC..Hα-helixtrans-66.5-35.6177.4-72.2-180173.81770113.1V14 Q95 L97 A103 L129V14-K99 HydrophobicContact CG1-CB 3.81Å; Q95-K99 HydrophobicContact CG-CD 4.02Å; Q95-K99 HydrophobicContact CG-CG 4.36Å; Q95-K99 WeakPolarHBondContact O-CB 3.39Å; Q95-K99 WeakPolarHBondContact O-CG 3.22Å; Q95-K99 PolarHBondContact O-N 3.33Å; L97-K99 PolarHBondContact O-N 3.36Å; K99-A103 WeakPolarHBondContact O-CB 3.21Å; K99-A103 PolarHBondContact O-N 3.41Å; K99-L129 WeakPolarHBondContact CE-O 3.37Å; K99-L129 HydrophobicContact CG-CD2 4.33Å; K99-L129 PolarHBondContact NZ-O 2.87Å
100A88.5Confident87.7Confident0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-54.8-53.8178.400000112.1A32 C34 I77 A96 L97 A98 A103 Y104A32-A100 HydrophobicContact CB-CB 3.88Å; C34-A100 WeakPolarHBondContact SG-CB 3.27Å; I77-A100 HydrophobicContact CD1-CB 4.3Å; I77-A100 HydrophobicContact CG2-CB 4.37Å; A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 3.47Å; L97-A100 VanDerWaalsContact O-CB 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.16Å; L97-A100 PolarHBondContact O-N 3.41Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 3.43Å; A100-A103 PolarHBondContact O-N 3.01Å; A100-Y104 WeakPolarHBondContact O-CB 3.42Å; A100-Y104 PolarHBondContact O-N 3.2Å
101I88.4Confident87.6Confident2 Ų232.9 Ų32.91%0.0116%0.16CC..Hα-helixtrans-67.8-46-176.8-54.2139.4000110.3L67 F72 I77 L97 A103 Y104 Y105 L117L67-I101 HydrophobicContact CD1-CD1 3.67Å; L67-I101 HydrophobicContact CD1-CG2 4.32Å; F72-I101 HydrophobicContact CD1-CD1 4.14Å; F72-I101 HydrophobicContact CD1-CG1 4.16Å; F72-I101 HydrophobicContact CE1-CD1 3.1Å; F72-I101 HydrophobicContact CE1-CG1 3.54Å; F72-I101 HydrophobicContact CE2-CD1 3.96Å; F72-I101 HydrophobicContact CZ-CD1 3.01Å; F72-I101 HydrophobicContact CZ-CG1 3.88Å; I77-I101 HydrophobicContact CD1-CG1 4.16Å; L97-I101 WeakPolarHBondContact O-CD1 3.36Å; L97-I101 WeakPolarHBondContact O-CG1 3.47Å; L97-I101 PolarHBondContact O-N 3.18Å; I101-A103 PolarHBondContact O-N 2.97Å; I101-Y104 WeakPolarHBondContact O-CB 3.42Å; I101-Y104 PolarHBondContact O-N 3.16Å; I101-Y105 HydrophobicContact CG2-CD2 3.67Å; I101-Y105 HydrophobicContact CG2-CE2 3.7Å; I101-Y105 WeakPolarHBondContact O-CD2 3.38Å; I101-Y105 PolarHBondContact O-N 3.26Å; I101-L117 HydrophobicContact CG2-CD1 4.34Å
102V89.3Confident87.7Confident13 Ų1334 Ų348%0.07918%0.175CC..Hα-helixtrans-58.7-40179.5171.80000111.3A98 Q106 K114 L117 K118 L121 L129A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.48Å; V102-Q106 WeakPolarHBondContact O-CB 3.48Å; V102-Q106 PolarHBondContact O-N 3.46Å; V102-Q106 VanDerWaalsContact O-N 3.09Å; V102-K114 HydrophobicContact CG1-CG 4.2Å; V102-L117 HydrophobicContact CG2-CB 4.3Å; V102-K118 HydrophobicContact CG1-CD 4.23Å; V102-K118 VanDerWaalsContact CG1-CE 3.43Å; V102-K118 HydrophobicContact CG1-CG 3.78Å; V102-K118 HydrophobicContact CG2-CG 4.34Å; V102-L121 HydrophobicContact CG2-CD1 3.72Å; V102-L129 HydrophobicContact CG2-CD2 4.17Å
103A88.2Confident87.7Confident28 Ų2835.7 Ų35.723%0.23119%0.187CC..Hα-helixtrans-72.7-32177.200000113V12 V14 K99 A100 I101 K107V12-A103 HydrophobicContact CG1-CB 3.87Å; V14-A103 HydrophobicContact CG1-CB 4.43Å; V14-A103 HydrophobicContact CG2-CB 3.37Å; K99-A103 WeakPolarHBondContact O-CB 3.21Å; K99-A103 PolarHBondContact O-N 3.41Å; A100-A103 PolarHBondContact O-N 3.01Å; I101-A103 PolarHBondContact O-N 2.97Å; A103-K107 PolarHBondContact O-N 3.01Å
104Y86.8Confident87.7Confident7 Ų737.4 Ų37.43%0.02720%0.195CC..Hα-helixtrans-63.9-52.3173.7179.2-93.1000111.3V12 N36 V75 A100 I101 Q106 K107 Y108 V109V12-Y104 HydrophobicContact CG2-CD2 4.31Å; N36-Y104 PolarHBondContact ND2-OH 3.45Å; N36-Y104 VanDerWaalsContact OD1-CE2 3.24Å; N36-Y104 WeakPolarHBondContact OD1-CE2 3.36Å; N36-Y104 PolarHBondContact OD1-OH 3.45Å; N36-Y104 VanDerWaalsContact OD1-OH 3.14Å; V75-Y104 HydrophobicContact CG1-CD2 4.32Å; V75-Y104 HydrophobicContact CG1-CG 4.44Å; V75-Y104 HydrophobicContact CG2-CD1 3.66Å; V75-Y104 HydrophobicContact CG2-CD2 4.37Å; V75-Y104 HydrophobicContact CG2-CE1 3.45Å; V75-Y104 VanDerWaalsContact CG2-CE1 3.45Å; V75-Y104 HydrophobicContact CG2-CE2 4.19Å; V75-Y104 HydrophobicContact CG2-CG 4.12Å; A100-Y104 WeakPolarHBondContact O-CB 3.42Å; A100-Y104 PolarHBondContact O-N 3.2Å; I101-Y104 WeakPolarHBondContact O-CB 3.42Å; I101-Y104 PolarHBondContact O-N 3.16Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 PolarHBondContact O-N 3.29Å; Y104-K107 PolarHBondContact O-N 3.47Å; Y104-K107 VanDerWaalsContact O-N 3.09Å; Y104-Y108 AromaticContact CD2-CD2 3.71Å; Y104-Y108 HydrophobicContact CD2-CD2 3.71Å; Y104-Y108 HydrophobicContact CD2-CE2 4.28Å; Y104-Y108 AromaticContact CE2-CD2 3.67Å; Y104-Y108 HydrophobicContact CE2-CD2 3.67Å; Y104-Y108 HydrophobicContact CE2-CE2 4.31Å; Y104-Y108 HydrophobicContact CE2-CG 4.46Å; Y104-Y108 HydrophobicContact CG-CD2 4.4Å; Y104-Y108 PolarHBondContact O-N 2.91Å; Y104-V109 HydrophobicContact CE1-CG2 4.29Å
105Y86.7Confident87.8Confident20 Ų2043.8 Ų43.88%0.07822%0.222CC..Hα-helixtrans-61.5-38.2178.5-86.6-101.8000112.5R71 I101 K107 V109 D110 L117R71-Y105 WeakPolarHBondContact CA-OH 3.47Å; R71-Y105 HydrophobicContact CB-CE2 4.46Å; R71-Y105 WeakPolarHBondContact CB-OH 3.45Å; I101-Y105 HydrophobicContact CG2-CD2 3.67Å; I101-Y105 HydrophobicContact CG2-CE2 3.7Å; I101-Y105 WeakPolarHBondContact O-CD2 3.38Å; I101-Y105 PolarHBondContact O-N 3.26Å; Y105-K107 VanDerWaalsContact C-N 3.26Å; Y105-K107 PolarHBondContact O-N 3.3Å; Y105-V109 HydrophobicContact CD1-CB 3.7Å; Y105-V109 HydrophobicContact CD1-CG1 3.84Å; Y105-V109 HydrophobicContact CD1-CG2 3.75Å; Y105-V109 HydrophobicContact CE1-CB 4.24Å; Y105-V109 HydrophobicContact CE1-CG1 4.03Å; Y105-V109 HydrophobicContact CE1-CG2 4.01Å; Y105-V109 HydrophobicContact CG-CB 4.28Å; Y105-V109 HydrophobicContact CG-CG2 4.11Å; Y105-V109 PolarHBondContact O-N 2.96Å; Y105-V109 VanDerWaalsContact O-N 3.11Å; Y105-D110 PolarHBondContact O-N 3.23Å; Y105-L117 HydrophobicContact CD1-CD1 3.71Å; Y105-L117 HydrophobicContact CD2-CD1 3.59Å; Y105-L117 HydrophobicContact CE1-CD1 4.24Å; Y105-L117 HydrophobicContact CE2-CD1 4.11Å; Y105-L117 HydrophobicContact CG-CD1 3.35Å
106Q85.3Confident87.9Confident69 Ų6948.5 Ų48.532%0.32225%0.245SC..Hα-helixtrans-57.5-37.8174.417167.581.300113.3V102 Y104 E111 K114V102-Q106 WeakPolarHBondContact O-CB 3.48Å; V102-Q106 PolarHBondContact O-N 3.46Å; V102-Q106 VanDerWaalsContact O-N 3.09Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 PolarHBondContact O-N 3.29Å; Q106-E111 PolarHBondContact NE2-OE1 3.19Å; Q106-K114 HydrophobicContact CB-CD 4.3Å; Q106-K114 HydrophobicContact CB-CG 4.19Å
107K83.6Confident88Confident127 Ų12748.5 Ų48.555%0.55225%0.245SC*.Hα-helixtrans-92-32.5-171.3-169.3179.6175.9-168.30112.7S11 V12 A103 Y104 Y105S11-K107 PolarHBondContact O-NZ 3.21Å; V12-K107 HydrophobicContact CG2-CB 4.33Å; V12-K107 HydrophobicContact CG2-CD 3.98Å; A103-K107 PolarHBondContact O-N 3.01Å; Y104-K107 PolarHBondContact O-N 3.47Å; Y104-K107 VanDerWaalsContact O-N 3.09Å; Y105-K107 VanDerWaalsContact C-N 3.26Å; Y105-K107 PolarHBondContact O-N 3.3Å
108Y83.4Confident88Confident62 Ų6252 Ų5224%0.24326%0.26CS..Hα-helixtrans-122.7-15.9-165.9-64.2-59.5000115.5Q10 S11 V12 Y104Q10-Y108 WeakPolarHBondContact CA-OH 3.25Å; Q10-Y108 HydrophobicContact CB-CD1 4.07Å; Q10-Y108 HydrophobicContact CB-CD2 4.37Å; Q10-Y108 HydrophobicContact CB-CE1 3.71Å; Q10-Y108 HydrophobicContact CB-CE2 4Å; Q10-Y108 HydrophobicContact CB-CG 4.4Å; Q10-Y108 HydrophobicContact CG-CD1 3.77Å; Q10-Y108 HydrophobicContact CG-CE1 3.54Å; Q10-Y108 HydrophobicContact CG-CG 4.48Å; S11-Y108 PolarHBondContact N-OH 3Å; S11-Y108 PolarHBondContact O-OH 3.47Å; S11-Y108 VanDerWaalsContact O-OH 3.07Å; V12-Y108 HydrophobicContact CG2-CD2 3.93Å; V12-Y108 HydrophobicContact CG2-CE2 3.4Å; V12-Y108 VanDerWaalsContact CG2-CE2 3.4Å; Y104-Y108 AromaticContact CD2-CD2 3.71Å; Y104-Y108 HydrophobicContact CD2-CD2 3.71Å; Y104-Y108 HydrophobicContact CD2-CE2 4.28Å; Y104-Y108 AromaticContact CE2-CD2 3.67Å; Y104-Y108 HydrophobicContact CE2-CD2 3.67Å; Y104-Y108 HydrophobicContact CE2-CE2 4.31Å; Y104-Y108 HydrophobicContact CE2-CG 4.46Å; Y104-Y108 HydrophobicContact CG-CD2 4.4Å; Y104-Y108 PolarHBondContact O-N 2.91Å
109V80.5Confident88.2Confident72 Ų7256.1 Ų56.144%0.43628%0.282SS..THydrogen-bonded Turntrans-111.4-83.2-176.4-175.10000110.1Y104 Y105Y104-V109 HydrophobicContact CE1-CG2 4.29Å; Y105-V109 HydrophobicContact CD1-CB 3.7Å; Y105-V109 HydrophobicContact CD1-CG1 3.84Å; Y105-V109 HydrophobicContact CD1-CG2 3.75Å; Y105-V109 HydrophobicContact CE1-CB 4.24Å; Y105-V109 HydrophobicContact CE1-CG1 4.03Å; Y105-V109 HydrophobicContact CE1-CG2 4.01Å; Y105-V109 HydrophobicContact CG-CB 4.28Å; Y105-V109 HydrophobicContact CG-CG2 4.11Å; Y105-V109 PolarHBondContact O-N 2.96Å; Y105-V109 VanDerWaalsContact O-N 3.11Å
110D85.8Confident88.3Confident79 Ų7957.9 Ų57.942%0.42229%0.293SS..  trans-168.4156.2-175.1-17958.1000112Y105 A112 S113 K114Y105-D110 PolarHBondContact O-N 3.23Å; D110-A112 WeakPolarHBondContact OD2-CA 3.31Å; D110-A112 WeakPolarHBondContact OD2-CB 3.11Å; D110-A112 PolarHBondContact OD2-N 2.93Å; D110-S113 PolarHBondContact OD2-N 3.42Å; D110-K114 WeakPolarHBondContact O-CB 3.43Å; D110-K114 PolarHBondContact O-N 2.85Å
111E88.1Confident88.4Confident127 Ų12757.9 Ų57.959%0.59329%0.293SS*.Hα-helixtrans-74.8-34.8179.6-59.4-150.7134.700113.9Q106 K114 K115Q106-E111 PolarHBondContact NE2-OE1 3.19Å; E111-K114 PolarHBondContact O-N 2.84Å; E111-K115 PolarHBondContact O-N 2.91Å
112A91.4Very high88.6Confident55 Ų5561 Ų6146%0.45531%0.309SS..Hα-helixtrans-67.5-47.2178.400000110.5D110 K114 K115 E116D110-A112 WeakPolarHBondContact OD2-CA 3.31Å; D110-A112 WeakPolarHBondContact OD2-CB 3.11Å; D110-A112 PolarHBondContact OD2-N 2.93Å; A112-K114 PolarHBondContact O-N 3.47Å; A112-K115 WeakPolarHBondContact O-CA 3.33Å; A112-K115 WeakPolarHBondContact O-CB 3.39Å; A112-K115 PolarHBondContact O-N 2.92Å; A112-E116 PolarHBondContact O-N 3.17Å
113S88.9Confident88.7Confident37 Ų3764.6 Ų64.626%0.25934%0.34SS..Hα-helixtrans-57.2-37.9174.2-70.40000112.1D110 L117D110-S113 PolarHBondContact OD2-N 3.42Å; S113-L117 WeakPolarHBondContact O-CB 3.4Å; S113-L117 VanDerWaalsContact O-CG 3.28Å; S113-L117 WeakPolarHBondContact O-CG 3.34Å; S113-L117 PolarHBondContact O-N 3.45Å
114K88.3Confident88.8Confident41 Ų4169.3 Ų69.318%0.17835%0.352CS..Hα-helixtrans-66.8-38.2175165.7-123.1174.6176.20112.1V102 Q106 D110 E111 A112 K118V102-K114 HydrophobicContact CG1-CG 4.2Å; Q106-K114 HydrophobicContact CB-CD 4.3Å; Q106-K114 HydrophobicContact CB-CG 4.19Å; D110-K114 WeakPolarHBondContact O-CB 3.43Å; D110-K114 PolarHBondContact O-N 2.85Å; E111-K114 PolarHBondContact O-N 2.84Å; A112-K114 PolarHBondContact O-N 3.47Å; K114-K118 VanDerWaalsContact CE-CE 3.5Å; K114-K118 VanDerWaalsContact CE-NZ 3.34Å; K114-K118 WeakPolarHBondContact O-CG 3.33Å; K114-K118 PolarHBondContact O-N 3.39Å
115K92.5Very high88.8Confident138 Ų13871 Ų7160%0.636%0.362SS*.Hα-helixtrans-63.3-47.8175.5-171.7-176.6171.8-173.30110.7E111 A112 L117 K118 D119E111-K115 PolarHBondContact O-N 2.91Å; A112-K115 WeakPolarHBondContact O-CA 3.33Å; A112-K115 WeakPolarHBondContact O-CB 3.39Å; A112-K115 PolarHBondContact O-N 2.92Å; K115-L117 VanDerWaalsContact C-N 3.35Å; K115-L117 PolarHBondContact O-N 3.31Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 3.49Å; K115-K118 VanDerWaalsContact O-N 3.1Å; K115-D119 VanDerWaalsContact O-CG 3.29Å; K115-D119 PolarHBondContact O-N 3.05Å
116E92.3Very high88.8Confident100 Ų10079 Ų7947%0.46739%0.392SS..Hα-helixtrans-56.6-47175.8-66.5174-169.800112.3R71 A112 K118 D119 L120R71-E116 IonicContact NH2-OE2 2.66Å; A112-E116 PolarHBondContact O-N 3.17Å; E116-K118 VanDerWaalsContact C-N 3.3Å; E116-K118 PolarHBondContact O-N 2.96Å; E116-D119 PolarHBondContact O-N 3.45Å; E116-L120 WeakPolarHBondContact O-CB 3.04Å; E116-L120 VanDerWaalsContact O-CG 3.29Å; E116-L120 WeakPolarHBondContact O-CG 3.21Å; E116-L120 PolarHBondContact O-N 3.3Å
117L91Very high88.8Confident0 Ų076.9 Ų76.90%039%0.385CS..Hα-helixtrans-57-43.9175.8-78.9169.5000112.2L67 I101 V102 Y105 S113 K115 L121L67-L117 HydrophobicContact CB-CD2 4.29Å; L67-L117 HydrophobicContact CD1-CD2 3.87Å; L67-L117 HydrophobicContact CD2-CD2 3.39Å; L67-L117 HydrophobicContact CG-CD2 4.02Å; I101-L117 HydrophobicContact CG2-CD1 4.34Å; V102-L117 HydrophobicContact CG2-CB 4.3Å; Y105-L117 HydrophobicContact CD1-CD1 3.71Å; Y105-L117 HydrophobicContact CD2-CD1 3.59Å; Y105-L117 HydrophobicContact CE1-CD1 4.24Å; Y105-L117 HydrophobicContact CE2-CD1 4.11Å; Y105-L117 HydrophobicContact CG-CD1 3.35Å; S113-L117 WeakPolarHBondContact O-CB 3.4Å; S113-L117 VanDerWaalsContact O-CG 3.28Å; S113-L117 WeakPolarHBondContact O-CG 3.34Å; S113-L117 PolarHBondContact O-N 3.45Å; K115-L117 VanDerWaalsContact C-N 3.35Å; K115-L117 PolarHBondContact O-N 3.31Å; L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CD1 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 2.87Å; L117-L121 VanDerWaalsContact O-N 3.13Å
118K90.8Very high89Confident73 Ų7370.9 Ų70.932%0.31736%0.359SS..Hα-helixtrans-66.4-44.8178.6-76.4-178175-169.40111.4V102 K114 K115 E116 L121 I122 L129V102-K118 HydrophobicContact CG1-CD 4.23Å; V102-K118 VanDerWaalsContact CG1-CE 3.43Å; V102-K118 HydrophobicContact CG1-CG 3.78Å; V102-K118 HydrophobicContact CG2-CG 4.34Å; K114-K118 VanDerWaalsContact CE-CE 3.5Å; K114-K118 VanDerWaalsContact CE-NZ 3.34Å; K114-K118 WeakPolarHBondContact O-CG 3.33Å; K114-K118 PolarHBondContact O-N 3.39Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 3.49Å; K115-K118 VanDerWaalsContact O-N 3.1Å; E116-K118 VanDerWaalsContact C-N 3.3Å; E116-K118 PolarHBondContact O-N 2.96Å; K118-L121 PolarHBondContact O-N 2.6Å; K118-I122 HydrophobicContact CB-CD1 4.46Å; K118-I122 VanDerWaalsContact O-CB 3.29Å; K118-I122 WeakPolarHBondContact O-CB 3.19Å; K118-I122 WeakPolarHBondContact O-CG1 3.29Å; K118-I122 PolarHBondContact O-N 2.84Å; K118-L129 HydrophobicContact CB-CD1 4.22Å; K118-L129 HydrophobicContact CG-CD1 4.01Å
119D93Very high89Confident86 Ų8669.1 Ų69.146%0.4635%0.354SS..Hα-helixtrans-64.2-43.1-177.6-67.6-18.5000110.6K115 E116 L121 I122 A123K115-D119 VanDerWaalsContact O-CG 3.29Å; K115-D119 PolarHBondContact O-N 3.05Å; E116-D119 PolarHBondContact O-N 3.45Å; D119-L121 PolarHBondContact O-N 2.86Å; D119-I122 PolarHBondContact O-N 2.91Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.03Å
120L92.6Very high89.3Confident79 Ų7970.1 Ų70.141%0.41436%0.36SS..Hα-helixtrans-59.8-46.2173.6-70.2172.5000112.6I66 L67 E116 Y124I66-L120 HydrophobicContact CG2-CB 4.42Å; L67-L120 HydrophobicContact CD2-CB 4.33Å; E116-L120 WeakPolarHBondContact O-CB 3.04Å; E116-L120 VanDerWaalsContact O-CG 3.29Å; E116-L120 WeakPolarHBondContact O-CG 3.21Å; E116-L120 PolarHBondContact O-N 3.3Å; L120-Y124 PolarHBondContact O-N 3Å
121L90.2Very high89Confident0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-67.3-39.9179.4-70.9170.1000112.3I66 L67 A98 V102 L117 K118 D119 D125 L128 L129I66-L121 HydrophobicContact CG2-CD2 4.49Å; L67-L121 HydrophobicContact CD1-CD1 4.26Å; L67-L121 HydrophobicContact CD1-CD2 4.1Å; L67-L121 HydrophobicContact CD1-CG 4.38Å; L67-L121 HydrophobicContact CD2-CD1 4.33Å; L67-L121 HydrophobicContact CD2-CD2 3.96Å; L67-L121 HydrophobicContact CD2-CG 3.8Å; L67-L121 HydrophobicContact CG-CD2 4.02Å; L67-L121 HydrophobicContact CG-CG 4.35Å; A98-L121 HydrophobicContact CB-CD1 4.15Å; A98-L121 HydrophobicContact CB-CD2 4.36Å; V102-L121 HydrophobicContact CG2-CD1 3.72Å; L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CD1 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 2.87Å; L117-L121 VanDerWaalsContact O-N 3.13Å; K118-L121 PolarHBondContact O-N 2.6Å; D119-L121 PolarHBondContact O-N 2.86Å; L121-D125 CarbonylContact O-C 3.43Å; L121-D125 PolarHBondContact O-N 3.3Å; L121-L128 HydrophobicContact CD2-CD1 3.86Å; L121-L129 HydrophobicContact CB-CD1 4.18Å; L121-L129 HydrophobicContact CB-CG 4.27Å; L121-L129 HydrophobicContact CD1-CD1 4.37Å; L121-L129 HydrophobicContact CD1-CD2 3.91Å; L121-L129 HydrophobicContact CD1-CG 4.27Å
122I91.4Very high88.6Confident69 Ų6963 Ų6335%0.35433%0.331SS..Hα-helixtrans-70.2-39.5179.9-73169.8000111.2K118 D119 Y124 R126 L129K118-I122 HydrophobicContact CB-CD1 4.46Å; K118-I122 VanDerWaalsContact O-CB 3.29Å; K118-I122 WeakPolarHBondContact O-CB 3.19Å; K118-I122 WeakPolarHBondContact O-CG1 3.29Å; K118-I122 PolarHBondContact O-N 2.84Å; D119-I122 PolarHBondContact O-N 2.91Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 2.98Å; I122-R126 HydrophobicContact CG2-CG 4.22Å; I122-L129 HydrophobicContact CD1-CD1 4.17Å; I122-L129 HydrophobicContact CG1-CD1 3.9Å
123A92Very high88.1Confident88 Ų8865.4 Ų65.473%0.72734%0.342SS*.Hα-helixtrans-60.6-39.3177.700000111.5D119D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.03Å
124Y90.5Very high87.8Confident126 Ų12670.5 Ų70.549%0.49436%0.355SS..Hα-helixtrans-76-61175.4-178.3-96.5000112.7E62 I66 L120 I122 L128E62-Y124 PolarHBondContact OE1-OH 2.86Å; I66-Y124 HydrophobicContact CD1-CD1 3.28Å; I66-Y124 HydrophobicContact CD1-CD2 4.12Å; I66-Y124 HydrophobicContact CD1-CE1 3.73Å; I66-Y124 HydrophobicContact CD1-CE2 4.5Å; I66-Y124 HydrophobicContact CD1-CG 3.49Å; I66-Y124 VanDerWaalsContact CD1-CG 3.49Å; I66-Y124 HydrophobicContact CG1-CD1 4.36Å; I66-Y124 HydrophobicContact CG1-CD2 4.39Å; I66-Y124 HydrophobicContact CG1-CG 4.16Å; L120-Y124 PolarHBondContact O-N 3Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 2.98Å; Y124-L128 HydrophobicContact CD1-CD1 4.02Å
125D87.4Confident87.4Confident42 Ų4274.3 Ų74.323%0.22537%0.368CS..  trans-152.5108.4-176.1-178.8-1.8000111R94 L121 S127 L128R94-D125 IonicContact CZ-OD2 3.41Å; R94-D125 IonicContact NH1-OD2 2.68Å; R94-D125 PolarHBondContact NH1-OD2 2.91Å; R94-D125 IonicContact NH2-OD2 3.61Å; R94-D125 PolarHBondContact NH2-OD2 2.98Å; L121-D125 CarbonylContact O-C 3.43Å; L121-D125 PolarHBondContact O-N 3.3Å; D125-S127 PolarHBondContact O-N 2.88Å; D125-S127 VanDerWaalsContact OD1-CB 3.25Å; D125-S127 WeakPolarHBondContact OD1-CB 3.21Å; D125-S127 PolarHBondContact OD1-N 3.33Å; D125-S127 PolarHBondContact OD1-OG 3.31Å; D125-S127 PolarHBondContact OD2-OG 3.42Å; D125-L128 HydrophobicContact CB-CD1 4.13Å; D125-L128 HydrophobicContact CB-CG 4.02Å; D125-L128 VanDerWaalsContact O-CB 3.31Å; D125-L128 WeakPolarHBondContact O-CB 3.17Å; D125-L128 WeakPolarHBondContact O-CG 3.48Å; D125-L128 PolarHBondContact O-N 2.81Å
126R86.9Confident86.8Confident188 Ų18872 Ų7271%0.70937%0.369SS*.G310 helixtrans-53-29.1176.3-65.7-176.2178.2-173.2-0.4113.2I122 L128 L129 V130I122-R126 HydrophobicContact CG2-CG 4.22Å; R126-L128 PolarHBondContact O-N 3.12Å; R126-L129 PolarHBondContact O-N 3.46Å; R126-V130 WeakPolarHBondContact O-CB 3.49Å; R126-V130 PolarHBondContact O-N 3.46Å
127S84.7Confident86.4Confident26 Ų2671.5 Ų71.518%0.18237%0.366CS..G310 helixtrans-73.8-9.6-178.6750000114.1R94 D125 L129 V130R94-S127 PolarHBondContact NH2-OG 3.31Å; D125-S127 PolarHBondContact O-N 2.88Å; D125-S127 VanDerWaalsContact OD1-CB 3.25Å; D125-S127 WeakPolarHBondContact OD1-CB 3.21Å; D125-S127 PolarHBondContact OD1-N 3.33Å; D125-S127 PolarHBondContact OD1-OG 3.31Å; D125-S127 PolarHBondContact OD2-OG 3.42Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-V130 WeakPolarHBondContact CA-O 3.21Å
128L86.6Confident86.2Confident0 Ų076.5 Ų76.50%040%0.399CS..G310 helixtrans-68.2-31.3171.3-68.3176.3000112.5P63 I66 R94 Q95 A98 L121 Y124 D125 R126P63-L128 HydrophobicContact CG-CD2 4.22Å; I66-L128 HydrophobicContact CD1-CD1 3.97Å; R94-L128 HydrophobicContact CG-CD2 3.48Å; R94-L128 VanDerWaalsContact CG-CD2 3.48Å; Q95-L128 WeakPolarHBondContact CG-O 2.79Å; A98-L128 HydrophobicContact CB-CB 4.05Å; A98-L128 WeakPolarHBondContact CB-O 3.31Å; L121-L128 HydrophobicContact CD2-CD1 3.86Å; Y124-L128 HydrophobicContact CD1-CD1 4.02Å; D125-L128 HydrophobicContact CB-CD1 4.13Å; D125-L128 HydrophobicContact CB-CG 4.02Å; D125-L128 VanDerWaalsContact O-CB 3.31Å; D125-L128 WeakPolarHBondContact O-CB 3.17Å; D125-L128 WeakPolarHBondContact O-CG 3.48Å; D125-L128 PolarHBondContact O-N 2.81Å; R126-L128 PolarHBondContact O-N 3.12Å
129L85.3Confident86Confident26 Ų2679.6 Ų79.614%0.13641%0.412CS..THydrogen-bonded Turntrans-108.9-42178.4-65.3-176.6000111.7Q95 A98 K99 V102 K118 L121 I122 R126 S127Q95-L129 PolarHBondContact NE2-O 3.1Å; A98-L129 HydrophobicContact CB-CD2 4.26Å; K99-L129 WeakPolarHBondContact CE-O 3.37Å; K99-L129 HydrophobicContact CG-CD2 4.33Å; K99-L129 PolarHBondContact NZ-O 2.87Å; V102-L129 HydrophobicContact CG2-CD2 4.17Å; K118-L129 HydrophobicContact CB-CD1 4.22Å; K118-L129 HydrophobicContact CG-CD1 4.01Å; L121-L129 HydrophobicContact CB-CD1 4.18Å; L121-L129 HydrophobicContact CB-CG 4.27Å; L121-L129 HydrophobicContact CD1-CD1 4.37Å; L121-L129 HydrophobicContact CD1-CD2 3.91Å; L121-L129 HydrophobicContact CD1-CG 4.27Å; I122-L129 HydrophobicContact CD1-CD1 4.17Å; I122-L129 HydrophobicContact CG1-CD1 3.9Å; R126-L129 PolarHBondContact O-N 3.46Å; S127-L129 VanDerWaalsContact C-N 3.32Å
130V84.8Confident85.8Confident93 Ų9381.7 Ų81.756%0.56442%0.417SS*.SBendtrans-92129.3-174.8-174.20000110.5R126 S127R126-V130 WeakPolarHBondContact O-CB 3.49Å; R126-V130 PolarHBondContact O-N 3.46Å; S127-V130 WeakPolarHBondContact CA-O 3.21Å
131A80Confident85.7Confident35 Ų3587.2 Ų87.229%0.28944%0.438SS..PPolyproline II helixtrans-74.9142.1174.800000110.4R17 K18 P133R17-A131 WeakPolarHBondContact O-CB 3.03Å; K18-A131 WeakPolarHBondContact O-CB 3.42Å; A131-P133 VanDerWaalsContact O-CD 3.28Å; A131-P133 WeakPolarHBondContact O-CD 3.28Å
132D80.9Confident85.4Confident22 Ų2289.8 Ų89.812%0.11847%0.465CS..PPolyproline II helixtrans-74.3118.1177.1-176.9-14.3000110.5L20 R134 R135L20-D132 HydrophobicContact CB-CB 3.49Å; L20-D132 VanDerWaalsContact CB-CB 3.49Å; L20-D132 WeakPolarHBondContact CB-OD2 3.36Å; L20-D132 HydrophobicContact CD1-CB 3.85Å; L20-D132 HydrophobicContact CG-CB 3.77Å; D132-R134 VanDerWaalsContact C-N 3.32Å; D132-R134 PolarHBondContact O-N 2.93Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.2Å; D132-R134 WeakPolarHBondContact OD1-CG 3.24Å; D132-R134 PolarHBondContact OD1-N 3.12Å; D132-R134 IonicContact OD1-NE 2.84Å; D132-R134 PolarHBondContact OD1-NE 2.84Å; D132-R134 VanDerWaalsContact OD1-NE 3.12Å; D132-R134 IonicContact OD2-CZ 2.68Å; D132-R134 IonicContact OD2-NE 2.76Å; D132-R134 PolarHBondContact OD2-NE 2.69Å; D132-R134 IonicContact OD2-NH2 3.87Å; D132-R134 PolarHBondContact OD2-NH2 2.99Å; D132-R135 PolarHBondContact O-NH1 3.31Å
133P80Confident85.3Confident105 Ų10586.9 Ų86.968%0.68245%0.452SS*.  trans-75-17.1-177.631.3-36000113.4A131 R135A131-P133 VanDerWaalsContact O-CD 3.28Å; A131-P133 WeakPolarHBondContact O-CD 3.28Å; P133-R135 PolarHBondContact O-N 2.92Å
134R83.5Confident85.1Confident143 Ų14386.2 Ų86.254%0.5444%0.441SS..  trans-59.4130.7-170-65.6178-66.3-178.5-1.8111.8L20 D132L20-R134 HydrophobicContact CD1-CB 4.38Å; L20-R134 WeakPolarHBondContact CD1-O 3.1Å; D132-R134 VanDerWaalsContact C-N 3.32Å; D132-R134 PolarHBondContact O-N 2.93Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.2Å; D132-R134 WeakPolarHBondContact OD1-CG 3.24Å; D132-R134 PolarHBondContact OD1-N 3.12Å; D132-R134 IonicContact OD1-NE 2.84Å; D132-R134 PolarHBondContact OD1-NE 2.84Å; D132-R134 VanDerWaalsContact OD1-NE 3.12Å; D132-R134 IonicContact OD2-CZ 2.68Å; D132-R134 IonicContact OD2-NE 2.76Å; D132-R134 PolarHBondContact OD2-NE 2.69Å; D132-R134 IonicContact OD2-NH2 3.87Å; D132-R134 PolarHBondContact OD2-NH2 2.99Å
135R79.9Confident84.9Confident121 Ų12181.5 Ų81.546%0.45743%0.43SS..  trans-130.1165.1176.7-63.1-61.2177.3-98.7-6.5110.7K25 D132 P133K25-R135 PolarHBondContact NZ-O 3.35Å; D132-R135 PolarHBondContact O-NH1 3.31Å; P133-R135 PolarHBondContact O-N 2.92Å
136C78.7Confident84.9Confident90 Ų9081.1 Ų81.161%0.60843%0.433SS*.PPolyproline II helixtrans-73.9141.1172.2-82.50000105.6K25K25-C136 HydrophobicContact CD-CB 4.24Å; K25-C136 WeakPolarHBondContact CD-SG 3.47Å; K25-C136 VanDerWaalsContact CE-N 3.26Å; K25-C136 PolarHBondContact NZ-SG 3.36Å
137E83.9Confident85Confident89 Ų8981.2 Ų81.242%0.41643%0.433SS..PPolyproline II helixtrans-56.9130.2167.3-68.7-177.2173.500108.1A146 R147E137-A146 HydrophobicContact CB-CB 4.09Å; E137-R147 IonicContact OE1-CZ 3.77Å; E137-R147 IonicContact OE1-NE 3.35Å; E137-R147 IonicContact OE1-NH2 2.73Å; E137-R147 PolarHBondContact OE1-NH2 3.29Å; E137-R147 IonicContact OE2-CZ 3.94Å; E137-R147 IonicContact OE2-NE 2.91Å; E137-R147 PolarHBondContact OE2-NE 2.97Å; E137-R147 IonicContact OE2-NH2 3.05Å; E137-R147 PolarHBondContact OE2-NH2 3.31Å
138P88.1Confident85.1Confident105 Ų10582.4 Ų82.468%0.68245%0.445SS*.PPolyproline II helixtrans-61.1151174.227.2-33.5000109.3K140P138-K140 PolarHBondContact O-N 3.26Å
139K86.8Confident85.1Confident139 Ų13991.7 Ų91.760%0.60448%0.479SS*.PPolyproline II helixtrans-64.5122.4173.9-179.2172.6174.3167.40109.4G143 P144K139-G143 WeakPolarHBondContact CE-O 3.45Å; K139-G143 PolarHBondContact NZ-O 2.68Å; K139-P144 WeakPolarHBondContact CE-O 3.33Å; K139-P144 PolarHBondContact NZ-O 3.41Å
140K88.3Confident85.1Confident129 Ų12998.6 Ų98.656%0.56151%0.505SS*.PPolyproline II helixtrans-79.9148.3171.1-61.3-179.2-177.6179.60109P138P138-K140 PolarHBondContact O-N 3.26Å
141F90.1Very high85.3Confident195 Ų195102.9 Ų102.986%0.85552%0.519SS*.THydrogen-bonded Turntrans-63.7156.2176.169.7-85.8000111.1
142G84.8Confident85.4Confident55 Ų55109.1 Ų109.157%0.56754%0.54SS*.THydrogen-bonded Turntrans87.711.7173.200000116.5
143G87.7Confident85.6Confident8 Ų8113.3 Ų113.38%0.08257%0.571CS.*SBendtrans-164.6171.8172.600000114.3K139 A148K139-G143 WeakPolarHBondContact CE-O 3.45Å; K139-G143 PolarHBondContact NZ-O 2.68Å; G143-A148 CarbonylContact C-O 3.57Å; G143-A148 VanDerWaalsContact CA-O 3.26Å; G143-A148 WeakPolarHBondContact CA-O 3.26Å
144P88Confident85.6Confident74 Ų74118 Ų11848%0.48158%0.576SS.*SBendtrans-72.5-30.6-17325-32.2000113.3K139 A148 Y150K139-P144 WeakPolarHBondContact CE-O 3.33Å; K139-P144 PolarHBondContact NZ-O 3.41Å; P144-A148 WeakPolarHBondContact CD-O 2.89Å; P144-A148 HydrophobicContact CG-CB 3.91Å; P144-Y150 HydrophobicContact CG-CE1 4.46Å
145G86.1Confident84.9Confident26 Ų26126.1 Ų126.127%0.26861%0.607SS.*SBendtrans-119.6179.2-173.500000114.2R147G145-R147 PolarHBondContact O-N 2.76Å
146A87.8Confident85.1Confident35 Ų35126.4 Ų126.429%0.28961%0.614SS.*SBendtrans-57.2-32.2176.600000113.3E137E137-A146 HydrophobicContact CB-CB 4.09Å
147R88.5Confident85.5Confident190 Ų190128.3 Ų128.372%0.71762%0.615SS**SBendtrans-127.6-16.1178.6-59.8-177.7179.6-160.80.1114.4E137 G145 R149E137-R147 IonicContact OE1-CZ 3.77Å; E137-R147 IonicContact OE1-NE 3.35Å; E137-R147 IonicContact OE1-NH2 2.73Å; E137-R147 PolarHBondContact OE1-NH2 3.29Å; E137-R147 IonicContact OE2-CZ 3.94Å; E137-R147 IonicContact OE2-NE 2.91Å; E137-R147 PolarHBondContact OE2-NE 2.97Å; E137-R147 IonicContact OE2-NH2 3.05Å; E137-R147 PolarHBondContact OE2-NH2 3.31Å; G145-R147 PolarHBondContact O-N 2.76Å; R147-R149 PolarHBondContact O-N 3.2Å
148A87.8Confident85.5Confident51 Ų51130.5 Ų130.542%0.42163%0.626SS.*  trans-69.2123.1-178.500000109.4G143 P144G143-A148 CarbonylContact C-O 3.57Å; G143-A148 VanDerWaalsContact CA-O 3.26Å; G143-A148 WeakPolarHBondContact CA-O 3.26Å; P144-A148 WeakPolarHBondContact CD-O 2.89Å; P144-A148 HydrophobicContact CG-CB 3.91Å
149R85.7Confident85.4Confident194 Ų194132 Ų13273%0.73262%0.622SS**  trans-115150.6171.8-72.8-174.2171.7-179.3-2.8108.9R147R147-R149 PolarHBondContact O-N 3.2Å
150Y86.3Confident85.3Confident172 Ų172131.6 Ų131.668%0.67562%0.623SS**  trans-65.8134.4171.2-62.1-65.5000109.7P144 K152P144-Y150 HydrophobicContact CG-CE1 4.46Å; Y150-K152 PolarHBondContact O-N 3.18Å
151Q88.5Confident85.1Confident183 Ų183131.7 Ų131.786%0.85563%0.628SS**  trans-66.3128.7173.1-175.8172.4-6.100108.4S153Q151-S153 PolarHBondContact O-N 3.43Å
152K81.7Confident84.8Confident166 Ų166127.2 Ų127.272%0.72261%0.611SS**  trans-69.4110.6169.3-72.6-172.3177.9-174.60107.8Y150 Y154Y150-K152 PolarHBondContact O-N 3.18Å; K152-Y154 HydrophobicContact CB-CE2 4.22Å
153S84.8Confident84.8Confident110 Ų110132.8 Ų132.877%0.76962%0.615SS**  trans-86120.5164.354.70000108.2Q151Q151-S153 PolarHBondContact O-N 3.43Å
154Y81Confident84.5Confident203 Ų203143.2 Ų143.280%0.79666%0.659SS**  trans-89.7115.9163.5-67-86.9000106.9K152K152-Y154 HydrophobicContact CB-CE2 4.22Å
155R67.8Low84.2Confident314 Ų314149.5 Ų149.5100%1.18568%0.675SS**  trans-126.90159.8-172.3176.5-173.6-173.12.3107.1

Retrieved 155 of 155 residues in 152.5 ms (Link to these results)

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