A0A5K4F0I0_SCHMA Loading...

Intraflagellar transport protein 52 homolog

AlphaFold DB , UniProt , Accession A0A5K4F0I0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 433 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
1M35.7Very low43.9Very low230 Ų230138.4 Ų138.4100%1.13372%0.72SS**  0128.60-66.8-158.4177.400106.7E3M1-E3 PolarHBondContact O-N 3.12Å
2P36.4Very low47.3Very low130 Ų130133.7 Ų133.784%0.84470%0.696SS**  trans-66.9127.2172.915.6-7.1000107.6A4P2-A4 PolarHBondContact O-N 2.84Å; P2-A4 VanDerWaalsContact O-N 3.12Å
3E33.8Very low50.8Low181 Ų181123.9 Ų123.985%0.84665%0.646SS**  trans-50.5117.1173.4-69.4170.4154.300108M1 T5M1-E3 PolarHBondContact O-N 3.12Å; E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 3.33Å
4A39.1Very low54Low94 Ų94115.1 Ų115.178%0.77760%0.6SS**  trans-57.8105.1170.900000106.2P2 Q6P2-A4 PolarHBondContact O-N 2.84Å; P2-A4 VanDerWaalsContact O-N 3.12Å; A4-Q6 PolarHBondContact O-N 2.73Å
5T37.9Very low56.8Low122 Ų122108.3 Ų108.375%0.74857%0.565SS**  trans-59.896.6171.9-44.90000105.2E3 M7E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 3.33Å; T5-M7 PolarHBondContact O-N 2.87Å
6Q39.1Very low59.3Low183 Ų183101.9 Ų101.986%0.85553%0.532SS*.  trans-58.997166.5-106173.6-1.600104.6A4 K8A4-Q6 PolarHBondContact O-N 2.73Å; Q6-K8 PolarHBondContact O-N 2.78Å
7M40.4Very low61.5Low108 Ų10896 Ų9653%0.53250%0.501SS..  trans-59.599.6168.9-73.3-173.8175.500104.9T5 I9T5-M7 PolarHBondContact O-N 2.87Å; M7-I9 PolarHBondContact O-N 3.04Å; M7-I9 VanDerWaalsContact O-N 3.08Å
8K45.7Very low63.3Low181 Ų18192.9 Ų92.979%0.78748%0.483SS*.  trans-55.5118.8172.1-88.8-176.9170.1-174.50106.1Q6 E10Q6-K8 PolarHBondContact O-N 2.78Å; K8-E10 PolarHBondContact O-N 3.33Å
9I53.4Low65Low60 Ų6089.5 Ų89.531%0.30847%0.467SS..  trans-46.2126.7167.3-62.8165.2000105.9M7 E11 S56 K59M7-I9 PolarHBondContact O-N 3.04Å; M7-I9 VanDerWaalsContact O-N 3.08Å; I9-E11 VanDerWaalsContact C-N 3.28Å; I9-E11 PolarHBondContact O-N 2.89Å; I9-S56 WeakPolarHBondContact CG1-O 3.21Å; I9-K59 HydrophobicContact CG2-CB 4.32Å
10E56.8Low66.5Low83 Ų8386.1 Ų86.139%0.38845%0.448SS..  trans-62.6102.4167.5-75.1-171.4158.400104.9K8 N12 T13 K42 I57K8-E10 PolarHBondContact O-N 3.33Å; E10-N12 PolarHBondContact O-N 3.35Å; E10-T13 WeakPolarHBondContact CB-OG1 3.46Å; E10-T13 PolarHBondContact O-N 2.79Å; E10-T13 PolarHBondContact OE2-OG1 3.29Å; E10-K42 IonicContact OE1-NZ 2.78Å; E10-K42 PolarHBondContact OE1-NZ 2.95Å; E10-K42 IonicContact OE2-NZ 3.07Å; E10-K42 PolarHBondContact OE2-NZ 2.88Å; E10-I57 PolarHBondContact N-O 3.45Å
11E64.4Low67.7Low150 Ų15088.7 Ų88.770%0.70146%0.456SS*.THydrogen-bonded Turntrans-53.2-26.7-157.5-72.7177.6172.200113.1I9I9-E11 VanDerWaalsContact C-N 3.28Å; I9-E11 PolarHBondContact O-N 2.89Å
12N85.4Confident70.6Confident82 Ų8278 Ų7844%0.43940%0.403SS..THydrogen-bonded Turntrans-123.644.8-176.8-60.9-29000115.8E10 W41 K42E10-N12 PolarHBondContact O-N 3.35Å; N12-W41 HydrophobicContact CB-CD2 3.98Å; N12-W41 HydrophobicContact CB-CE3 3.73Å; N12-W41 HydrophobicContact CB-CH2 4.45Å; N12-W41 HydrophobicContact CB-CZ3 4Å; N12-W41 WeakPolarHBondContact O-CA 3.41Å; N12-W41 WeakPolarHBondContact OD1-CH2 3.02Å; N12-K42 PolarHBondContact O-N 3.32Å
13T92.9Very high73.4Confident7 Ų774 Ų744%0.04338%0.381CS..EExtended strand (participates in β ladder)trans-106.5126.6176-62.60000113.3E10 V15 K42 V44 K59 L60E10-T13 WeakPolarHBondContact CB-OG1 3.46Å; E10-T13 PolarHBondContact O-N 2.79Å; E10-T13 PolarHBondContact OE2-OG1 3.29Å; T13-V15 HydrophobicContact CG2-CG2 4.01Å; T13-K42 WeakPolarHBondContact CA-O 3.44Å; T13-V44 HydrophobicContact CG2-CG2 4.28Å; T13-K59 PolarHBondContact O-N 2.76Å; T13-L60 PolarHBondContact O-N 2.68Å
14V95.3Very high76.3Confident0 Ų066.9 Ų66.90%035%0.347CS..EExtended strand (participates in β ladder)trans-111.7129.2173.8-175.80000109.5F16 L37 W41 K42 V43 V44 L60 V62 F241V14-F16 HydrophobicContact CG1-CD2 4.36Å; V14-F16 HydrophobicContact CG1-CE2 3.91Å; V14-L37 HydrophobicContact CG1-CD1 4.37Å; V14-W41 HydrophobicContact CG2-CB 4.18Å; V14-W41 HydrophobicContact CG2-CD2 4.18Å; V14-W41 HydrophobicContact CG2-CE3 3.69Å; V14-W41 HydrophobicContact CG2-CG 4.36Å; V14-W41 HydrophobicContact CG2-CZ3 4.48Å; V14-K42 PolarHBondContact N-O 3.26Å; V14-V43 WeakPolarHBondContact O-CA 3.04Å; V14-V44 PolarHBondContact O-N 2.8Å; V14-L60 CarbonylContact C-O 3.54Å; V14-L60 WeakPolarHBondContact CA-O 3.08Å; V14-L60 HydrophobicContact CG1-CB 4.27Å; V14-L60 HydrophobicContact CG1-CD2 4.08Å; V14-L60 HydrophobicContact CG1-CG 4.2Å; V14-L60 HydrophobicContact CG2-CB 4.33Å; V14-V62 HydrophobicContact CG1-CG2 4.16Å; V14-F241 HydrophobicContact CG2-CE2 3.86Å; V14-F241 HydrophobicContact CG2-CZ 4.14Å
15V95.6Very high78.9Confident13 Ų1364.1 Ų64.18%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-120.6125.2-177.1177.50000111.2T13 V44 N46 V58 L60 F61 V62T13-V15 HydrophobicContact CG2-CG2 4.01Å; V15-V44 WeakPolarHBondContact CA-O 3.31Å; V15-V44 HydrophobicContact CG2-CB 4.23Å; V15-N46 HydrophobicContact CG1-CB 3.52Å; V15-V58 HydrophobicContact CB-CG1 3.9Å; V15-V58 HydrophobicContact CB-CG2 4.24Å; V15-V58 HydrophobicContact CG2-CB 4.17Å; V15-V58 HydrophobicContact CG2-CG1 3.63Å; V15-V58 HydrophobicContact CG2-CG2 3.38Å; V15-L60 PolarHBondContact N-O 2.93Å; V15-F61 HydrophobicContact CB-CD2 4.02Å; V15-F61 HydrophobicContact CG1-CD2 3.88Å; V15-F61 HydrophobicContact CG1-CE2 3.91Å; V15-F61 CarbonylContact O-C 3.24Å; V15-V62 PolarHBondContact O-N 3.39Å
16F96.7Very high81.5Confident7 Ų759 Ų593%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-95.6121.9170.7-74.7-102.7000109.8V14 L26 F30 I33 L37 V43 V44 I45 N46 V62V14-F16 HydrophobicContact CG1-CD2 4.36Å; V14-F16 HydrophobicContact CG1-CE2 3.91Å; F16-L26 HydrophobicContact CB-CB 4.28Å; F16-L26 HydrophobicContact CD1-CB 4.5Å; F16-L26 HydrophobicContact CD1-CD1 4.19Å; F16-L26 HydrophobicContact CD2-CD1 3.74Å; F16-L26 HydrophobicContact CD2-CD2 4.16Å; F16-L26 HydrophobicContact CD2-CG 4.39Å; F16-L26 HydrophobicContact CE1-CD1 4.12Å; F16-L26 HydrophobicContact CE2-CD1 3.68Å; F16-L26 HydrophobicContact CG-CB 4.23Å; F16-L26 HydrophobicContact CG-CD1 4Å; F16-L26 HydrophobicContact CG-CD2 4.49Å; F16-L26 HydrophobicContact CG-CG 4.47Å; F16-L26 HydrophobicContact CZ-CD1 3.87Å; F16-F30 HydrophobicContact CD1-CD2 4.17Å; F16-F30 AromaticContact CE1-CD2 3.84Å; F16-F30 HydrophobicContact CE1-CD2 3.84Å; F16-F30 HydrophobicContact CE1-CE2 4.31Å; F16-F30 HydrophobicContact CE1-CG 4.35Å; F16-I33 HydrophobicContact CZ-CG2 4.46Å; F16-L37 HydrophobicContact CE2-CD1 4.47Å; F16-V43 HydrophobicContact CD2-CG1 3.95Å; F16-V43 HydrophobicContact CE2-CG1 3.96Å; F16-V44 PolarHBondContact N-O 2.68Å; F16-I45 WeakPolarHBondContact O-CA 3.44Å; F16-N46 PolarHBondContact O-N 2.95Å; F16-V62 HydrophobicContact CD1-CB 3.91Å; F16-V62 HydrophobicContact CD1-CG1 3.84Å; F16-V62 HydrophobicContact CD1-CG2 4.48Å; F16-V62 HydrophobicContact CE1-CB 4.06Å; F16-V62 HydrophobicContact CE1-CG1 3.74Å; F16-V62 HydrophobicContact CE1-CG2 4.27Å; F16-V62 HydrophobicContact CE2-CG2 4.38Å; F16-V62 HydrophobicContact CG-CB 4.23Å; F16-V62 HydrophobicContact CZ-CB 4.49Å; F16-V62 HydrophobicContact CZ-CG1 4.45Å; F16-V62 HydrophobicContact CZ-CG2 4.21Å
17N96.6Very high84Confident1 Ų154.1 Ų54.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-75.4140.8178.6-161.553.1000111.9T19 E22 N46 F61 V62 I63N17-T19 PolarHBondContact ND2-OG1 3.29Å; N17-T19 WeakPolarHBondContact OD1-CG2 3.36Å; N17-T19 PolarHBondContact OD1-OG1 3.36Å; N17-E22 PolarHBondContact ND2-OE1 3Å; N17-E22 VanDerWaalsContact O-CG 3.31Å; N17-E22 WeakPolarHBondContact O-CG 3.27Å; N17-N46 PolarHBondContact OD1-ND2 3.21Å; N17-F61 HydrophobicContact CB-CE1 4.25Å; N17-F61 HydrophobicContact CB-CE2 3.88Å; N17-F61 HydrophobicContact CB-CZ 3.54Å; N17-F61 WeakPolarHBondContact OD1-CZ 3.41Å; N17-V62 WeakPolarHBondContact CB-O 3.19Å; N17-V62 PolarHBondContact N-O 2.86Å; N17-I63 HydrophobicContact CB-CG1 4.41Å
18Q95.2Very high86.5Confident40 Ų4055.3 Ų55.319%0.18728%0.278CS..  trans-135.818.4175.2-71.6-165.1-26.300112.7E22 N25 I45 N46 K47Q18-E22 WeakPolarHBondContact CA-OE2 3.48Å; Q18-N25 VanDerWaalsContact NE2-CB 3.26Å; Q18-N25 PolarHBondContact NE2-OD1 2.92Å; Q18-I45 HydrophobicContact CB-CG2 4.07Å; Q18-I45 VanDerWaalsContact CD-CG2 3.45Å; Q18-I45 HydrophobicContact CG-CG2 3.72Å; Q18-N46 WeakPolarHBondContact CA-O 3.02Å; Q18-N46 PolarHBondContact N-O 2.88Å; Q18-K47 HydrophobicContact CB-CG 4.46Å
19T94.4Very high89Confident28 Ų2849.4 Ų49.417%0.17225%0.253CS..THydrogen-bonded Turntrans-83.6-20.3-17663.60000113.3N17 E22 D48N17-T19 PolarHBondContact ND2-OG1 3.29Å; N17-T19 WeakPolarHBondContact OD1-CG2 3.36Å; N17-T19 PolarHBondContact OD1-OG1 3.36Å; T19-E22 PolarHBondContact N-OE2 2.85Å; T19-D48 WeakPolarHBondContact CG2-O 3.44Å
20K94.8Very high91Very high21 Ų2146.6 Ų46.69%0.09124%0.239CC..THydrogen-bonded Turntrans-109.929.5-176-61.2-58-178.5-178.30112E22 P66 T67 E68 K69 F70 E74K20-E22 VanDerWaalsContact C-N 3.28Å; K20-E22 PolarHBondContact N-OE2 2.87Å; K20-E22 PolarHBondContact O-N 2.77Å; K20-P66 HydrophobicContact CB-CB 3.77Å; K20-T67 PolarHBondContact O-N 3.3Å; K20-T67 PolarHBondContact O-OG1 2.96Å; K20-E68 HydrophobicContact CB-CB 4.17Å; K20-E68 HydrophobicContact CD-CB 4.03Å; K20-E68 PolarHBondContact O-N 2.94Å; K20-K69 WeakPolarHBondContact CE-O 3.33Å; K20-K69 PolarHBondContact NZ-O 2.92Å; K20-F70 HydrophobicContact CB-CZ 4.4Å; K20-F70 HydrophobicContact CD-CD1 4.46Å; K20-F70 HydrophobicContact CD-CE1 4.49Å; K20-F70 HydrophobicContact CG-CD1 4.1Å; K20-F70 HydrophobicContact CG-CE1 3.66Å; K20-F70 HydrophobicContact CG-CE2 4.25Å; K20-F70 HydrophobicContact CG-CZ 3.74Å; K20-E74 WeakPolarHBondContact CE-OE1 3.46Å; K20-E74 WeakPolarHBondContact CE-OE2 3.39Å; K20-E74 IonicContact NZ-OE1 2.68Å; K20-E74 PolarHBondContact NZ-OE1 2.76Å; K20-E74 IonicContact NZ-OE2 3.64Å; K20-E74 PolarHBondContact NZ-OE2 3.09Å
21K93.1Very high92.9Very high142 Ų14244.8 Ų44.862%0.61723%0.234SC*.  trans48.951.5-177.2-66-179.1-175.2147.70111.7A23 T67 E68K21-A23 PolarHBondContact O-N 3.19Å; K21-T67 VanDerWaalsContact CB-OG1 3.24Å; K21-T67 WeakPolarHBondContact CB-OG1 3.27Å; K21-T67 WeakPolarHBondContact O-CG2 3.49Å; K21-T67 PolarHBondContact O-OG1 3.47Å; K21-E68 HydrophobicContact CD-CG 4.4Å; K21-E68 WeakPolarHBondContact CD-OE1 3.32Å; K21-E68 WeakPolarHBondContact CE-OE1 3.34Å; K21-E68 IonicContact NZ-OE1 3.15Å; K21-E68 PolarHBondContact NZ-OE1 3.08Å
22E95.1Very high94.4Very high5 Ų540.1 Ų40.12%0.02321%0.212CC..  trans-49125.6178.1-79.277.2177.500110.3N17 Q18 T19 K20 F24 N25 S64 G65N17-E22 PolarHBondContact ND2-OE1 3Å; N17-E22 VanDerWaalsContact O-CG 3.31Å; N17-E22 WeakPolarHBondContact O-CG 3.27Å; Q18-E22 WeakPolarHBondContact CA-OE2 3.48Å; T19-E22 PolarHBondContact N-OE2 2.85Å; K20-E22 VanDerWaalsContact C-N 3.28Å; K20-E22 PolarHBondContact N-OE2 2.87Å; K20-E22 PolarHBondContact O-N 2.77Å; E22-F24 PolarHBondContact O-N 2.88Å; E22-N25 PolarHBondContact O-OD1 2.75Å; E22-S64 WeakPolarHBondContact CB-O 3.41Å; E22-G65 WeakPolarHBondContact CA-O 2.96Å
23A95Very high94.9Very high45 Ų4536.3 Ų36.337%0.37219%0.191SC..SBendtrans-65-28.8179.700000111.4K21 H29 G65 T67 Y100K21-A23 PolarHBondContact O-N 3.19Å; A23-H29 PolarHBondContact O-CE1 2.86Å; A23-G65 PolarHBondContact N-O 3.43Å; A23-T67 HydrophobicContact CB-CG2 4.21Å; A23-Y100 HydrophobicContact CB-CD1 4.44Å; A23-Y100 HydrophobicContact CB-CE1 3.84Å
24F96Very high95Very high32 Ų3236.3 Ų36.314%0.1419%0.192CC..SBendtrans-110.7114.2178.4-70-98.2000110.2E22 H29 F30 S64 A220 A221E22-F24 PolarHBondContact O-N 2.88Å; F24-H29 HydrophobicContact CB-CB 4.49Å; F24-H29 HydrophobicContact CD1-CB 4Å; F24-H29 AromaticContact CD1-CD2 3.96Å; F24-H29 AromaticContact CD1-CG 3.97Å; F24-F30 HydrophobicContact CB-CE2 3.66Å; F24-F30 HydrophobicContact CB-CZ 3.75Å; F24-F30 HydrophobicContact CD1-CZ 4.28Å; F24-F30 HydrophobicContact CG-CZ 4.32Å; F24-S64 PolarHBondContact N-O 2.87Å; F24-S64 PolarHBondContact O-OG 3.19Å; F24-A220 HydrophobicContact CB-CB 4.4Å; F24-A220 HydrophobicContact CD1-CB 4.07Å; F24-A220 HydrophobicContact CD2-CB 3.56Å; F24-A220 HydrophobicContact CE1-CB 4.23Å; F24-A220 HydrophobicContact CE2-CB 3.76Å; F24-A220 HydrophobicContact CG-CB 3.74Å; F24-A220 HydrophobicContact CZ-CB 4.08Å; F24-A221 HydrophobicContact CE1-CB 4.15Å; F24-A221 HydrophobicContact CZ-CB 4.12Å
25N93.5Very high94.9Very high37 Ų3742.6 Ų42.620%0.19822%0.22CC..  trans-108.9142.7-175.5-73.4-27.5000112.6Q18 E22 S27 Q28 H29Q18-N25 VanDerWaalsContact NE2-CB 3.26Å; Q18-N25 PolarHBondContact NE2-OD1 2.92Å; E22-N25 PolarHBondContact O-OD1 2.75Å; N25-S27 VanDerWaalsContact C-N 3.3Å; N25-S27 PolarHBondContact O-N 3.26Å; N25-Q28 PolarHBondContact O-N 2.81Å; N25-Q28 VanDerWaalsContact O-N 3.16Å; N25-H29 PolarHBondContact N-ND1 3.18Å; N25-H29 VanDerWaalsContact N-ND1 3.17Å; N25-H29 PolarHBondContact O-N 3.09Å
26L92.7Very high94.9Very high13 Ų1345.8 Ų45.87%0.06823%0.231CC..Hα-helixtrans-53.8-43.9-179.2-175.866.9000113F16 Q28 F30 A34 V43 I45F16-L26 HydrophobicContact CB-CB 4.28Å; F16-L26 HydrophobicContact CD1-CB 4.5Å; F16-L26 HydrophobicContact CD1-CD1 4.19Å; F16-L26 HydrophobicContact CD2-CD1 3.74Å; F16-L26 HydrophobicContact CD2-CD2 4.16Å; F16-L26 HydrophobicContact CD2-CG 4.39Å; F16-L26 HydrophobicContact CE1-CD1 4.12Å; F16-L26 HydrophobicContact CE2-CD1 3.68Å; F16-L26 HydrophobicContact CG-CB 4.23Å; F16-L26 HydrophobicContact CG-CD1 4Å; F16-L26 HydrophobicContact CG-CD2 4.49Å; F16-L26 HydrophobicContact CG-CG 4.47Å; F16-L26 HydrophobicContact CZ-CD1 3.87Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.3Å; L26-F30 HydrophobicContact CD1-CB 4.03Å; L26-F30 CarbonylContact O-C 3.59Å; L26-F30 PolarHBondContact O-N 3.42Å; L26-A34 HydrophobicContact CD1-CB 3.75Å; L26-A34 HydrophobicContact CG-CB 4.27Å; L26-V43 HydrophobicContact CD1-CG1 4.2Å; L26-V43 HydrophobicContact CD2-CG1 3.56Å; L26-I45 HydrophobicContact CB-CD1 4.22Å; L26-I45 HydrophobicContact CB-CG1 4.26Å; L26-I45 HydrophobicContact CD2-CD1 4.06Å; L26-I45 HydrophobicContact CD2-CG1 3.68Å
27S91.4Very high94.7Very high82 Ų8245.6 Ų45.657%0.57323%0.23SC*.Hα-helixtrans-73.1-22.5-17652.10000114.6N25 T31N25-S27 VanDerWaalsContact C-N 3.3Å; N25-S27 PolarHBondContact O-N 3.26Å; S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.35Å
28Q93.2Very high94.6Very high133 Ų13352.2 Ų52.262%0.62126%0.259SS*.Hα-helixtrans-110.2-34.8-173.4-74.1177.4-21.500113N25 L26N25-Q28 PolarHBondContact O-N 2.81Å; N25-Q28 VanDerWaalsContact O-N 3.16Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.3Å
29H97.2Very high94.2Very high56 Ų5654.7 Ų54.726%0.25928%0.281SS..Hα-helixtrans-118.5-22.9-167.5-5889.2000113.5A23 F24 N25 S224 D225A23-H29 PolarHBondContact O-CE1 2.86Å; F24-H29 HydrophobicContact CB-CB 4.49Å; F24-H29 HydrophobicContact CD1-CB 4Å; F24-H29 AromaticContact CD1-CD2 3.96Å; F24-H29 AromaticContact CD1-CG 3.97Å; N25-H29 PolarHBondContact N-ND1 3.18Å; N25-H29 VanDerWaalsContact N-ND1 3.17Å; N25-H29 PolarHBondContact O-N 3.09Å; H29-S224 CarbonylContact O-C 3.59Å; H29-S224 WeakPolarHBondContact O-CA 3.48Å; H29-S224 WeakPolarHBondContact O-CB 3.32Å; H29-D225 VanDerWaalsContact O-CG 3.29Å; H29-D225 PolarHBondContact O-N 3.26Å
30F96.9Very high94Very high1 Ų157.3 Ų57.30%0.00430%0.3CS..  trans-122.435.5-174.6-57.4-57.4000111.9F16 F24 L26 E32 I33 A34 L91 F223F16-F30 HydrophobicContact CD1-CD2 4.17Å; F16-F30 AromaticContact CE1-CD2 3.84Å; F16-F30 HydrophobicContact CE1-CD2 3.84Å; F16-F30 HydrophobicContact CE1-CE2 4.31Å; F16-F30 HydrophobicContact CE1-CG 4.35Å; F24-F30 HydrophobicContact CB-CE2 3.66Å; F24-F30 HydrophobicContact CB-CZ 3.75Å; F24-F30 HydrophobicContact CD1-CZ 4.28Å; F24-F30 HydrophobicContact CG-CZ 4.32Å; L26-F30 HydrophobicContact CD1-CB 4.03Å; L26-F30 CarbonylContact O-C 3.59Å; L26-F30 PolarHBondContact O-N 3.42Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 3.09Å; F30-I33 HydrophobicContact CB-CB 4.36Å; F30-I33 HydrophobicContact CD1-CD1 4.12Å; F30-I33 PolarHBondContact O-N 2.9Å; F30-A34 VanDerWaalsContact O-CB 3.31Å; F30-A34 WeakPolarHBondContact O-CB 3.41Å; F30-A34 PolarHBondContact O-N 3.13Å; F30-L91 HydrophobicContact CE1-CD1 4.47Å; F30-L91 HydrophobicContact CZ-CD1 3.97Å; F30-F223 WeakPolarHBondContact CD1-O 3.31Å; F30-F223 HydrophobicContact CE1-CB 4.04Å
31T96.2Very high94Very high46 Ų4658.3 Ų58.328%0.28230%0.303SS..Hα-helixtrans-67.8-34.5-175.968.50000112.2S27 A34 K35 D225S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.35Å; T31-A34 PolarHBondContact O-N 3.25Å; T31-K35 VanDerWaalsContact O-CG 3.31Å; T31-K35 WeakPolarHBondContact O-CG 3.42Å; T31-K35 PolarHBondContact O-N 2.99Å; T31-D225 WeakPolarHBondContact CB-OD2 3.49Å; T31-D225 PolarHBondContact N-OD1 2.83Å; T31-D225 PolarHBondContact N-OD2 3.16Å; T31-D225 VanDerWaalsContact N-OD2 3.09Å; T31-D225 VanDerWaalsContact OG1-CG 3.27Å; T31-D225 PolarHBondContact OG1-OD1 3.18Å; T31-D225 PolarHBondContact OG1-OD2 3.12Å
32E95.2Very high94Very high52 Ų5256.6 Ų56.624%0.24330%0.296CS..Hα-helixtrans-71.4-41.9177.8-66.6-63.2124.900111.5F30 A34 K35 Y36 D225 I228 K229F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 3.09Å; E32-A34 VanDerWaalsContact C-N 3.33Å; E32-K35 PolarHBondContact O-N 3.41Å; E32-K35 IonicContact OE1-NZ 2.76Å; E32-K35 PolarHBondContact OE1-NZ 2.9Å; E32-Y36 PolarHBondContact O-N 3.2Å; E32-D225 WeakPolarHBondContact CB-OD1 3.46Å; E32-D225 HydrophobicContact CG-CB 4.43Å; E32-D225 PolarHBondContact N-OD1 3.28Å; E32-I228 HydrophobicContact CB-CG2 4.1Å; E32-K229 WeakPolarHBondContact OE2-CE 3.18Å; E32-K229 IonicContact OE2-NZ 2.77Å; E32-K229 PolarHBondContact OE2-NZ 3.23Å
33I95.7Very high94Very high2 Ų257.5 Ų57.51%0.0130%0.301CS..Hα-helixtrans-62-43.8172.1-71.6176.6000110.3F16 F30 K35 Y36 L37 F223 I228 F237F16-I33 HydrophobicContact CZ-CG2 4.46Å; F30-I33 HydrophobicContact CB-CB 4.36Å; F30-I33 HydrophobicContact CD1-CD1 4.12Å; F30-I33 PolarHBondContact O-N 2.9Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 3.49Å; I33-Y36 PolarHBondContact O-N 3.14Å; I33-L37 HydrophobicContact CG2-CD1 3.67Å; I33-L37 HydrophobicContact CG2-CG 4.04Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.37Å; I33-L37 PolarHBondContact O-N 2.96Å; I33-F223 HydrophobicContact CD1-CB 3.78Å; I33-F223 WeakPolarHBondContact CD1-O 3.33Å; I33-I228 HydrophobicContact CD1-CD1 4.04Å; I33-I228 HydrophobicContact CD1-CG1 4.31Å; I33-I228 HydrophobicContact CG1-CD1 4.23Å; I33-I228 HydrophobicContact CG1-CG1 4.07Å; I33-F237 HydrophobicContact CB-CZ 4.49Å; I33-F237 HydrophobicContact CD1-CD2 3.83Å; I33-F237 HydrophobicContact CD1-CE1 4.46Å; I33-F237 HydrophobicContact CD1-CE2 3.77Å; I33-F237 HydrophobicContact CD1-CG 4.21Å; I33-F237 HydrophobicContact CD1-CZ 4.11Å; I33-F237 HydrophobicContact CG1-CD1 4.49Å; I33-F237 HydrophobicContact CG1-CE1 4.32Å; I33-F237 HydrophobicContact CG1-CE2 4.46Å; I33-F237 HydrophobicContact CG1-CZ 4.31Å; I33-F237 HydrophobicContact CG2-CE1 3.88Å; I33-F237 HydrophobicContact CG2-CE2 4.02Å; I33-F237 HydrophobicContact CG2-CZ 3.43Å; I33-F237 VanDerWaalsContact CG2-CZ 3.43Å
34A94.9Very high93.9Very high7 Ų757.9 Ų57.96%0.05830%0.299CS..Hα-helixtrans-59.7-41.1177.900000111.9L26 F30 T31 E32 K38L26-A34 HydrophobicContact CD1-CB 3.75Å; L26-A34 HydrophobicContact CG-CB 4.27Å; F30-A34 VanDerWaalsContact O-CB 3.31Å; F30-A34 WeakPolarHBondContact O-CB 3.41Å; F30-A34 PolarHBondContact O-N 3.13Å; T31-A34 PolarHBondContact O-N 3.25Å; E32-A34 VanDerWaalsContact C-N 3.33Å; A34-K38 VanDerWaalsContact O-CB 3.25Å; A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 WeakPolarHBondContact O-CD 3.32Å; A34-K38 WeakPolarHBondContact O-CG 3.24Å; A34-K38 PolarHBondContact O-N 3.24Å
35K94.6Very high93.8Very high132 Ų13259.1 Ų59.157%0.57431%0.307SS*.Hα-helixtrans-64.1-44.7175.7-72.3169.5-166.4167.10111.6T31 E32 I33T31-K35 VanDerWaalsContact O-CG 3.31Å; T31-K35 WeakPolarHBondContact O-CG 3.42Å; T31-K35 PolarHBondContact O-N 2.99Å; E32-K35 PolarHBondContact O-N 3.41Å; E32-K35 IonicContact OE1-NZ 2.76Å; E32-K35 PolarHBondContact OE1-NZ 2.9Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 3.49Å
36Y94.2Very high93.9Very high79 Ų7957.8 Ų57.831%0.3130%0.299SS..Hα-helixtrans-59.9-52.6176.7170.8-108.5000111.4E32 I33 K38 S39 F234 F237E32-Y36 PolarHBondContact O-N 3.2Å; I33-Y36 PolarHBondContact O-N 3.14Å; Y36-K38 PolarHBondContact O-N 3.39Å; Y36-S39 WeakPolarHBondContact O-CB 3.35Å; Y36-S39 PolarHBondContact O-N 2.69Å; Y36-S39 PolarHBondContact O-OG 3.08Å; Y36-F234 HydrophobicContact CD1-CE2 4.07Å; Y36-F234 HydrophobicContact CD1-CZ 4.17Å; Y36-F234 HydrophobicContact CD2-CE2 4.15Å; Y36-F234 AromaticContact CD2-CZ 3.64Å; Y36-F234 HydrophobicContact CD2-CZ 3.64Å; Y36-F234 HydrophobicContact CE1-CE2 4.35Å; Y36-F234 HydrophobicContact CE1-CZ 4.13Å; Y36-F234 HydrophobicContact CE2-CE1 4.49Å; Y36-F234 HydrophobicContact CE2-CE2 4.42Å; Y36-F234 AromaticContact CE2-CZ 3.6Å; Y36-F234 HydrophobicContact CE2-CZ 3.6Å; Y36-F234 AromaticContact CG-CE2 3.95Å; Y36-F234 HydrophobicContact CG-CE2 3.95Å; Y36-F234 AromaticContact CG-CZ 3.92Å; Y36-F234 HydrophobicContact CG-CZ 3.92Å; Y36-F234 AromaticContact CZ-CZ 3.84Å; Y36-F237 HydrophobicContact CD1-CE1 4.24Å; Y36-F237 HydrophobicContact CE1-CE1 4.34Å
37L94Very high93.9Very high3 Ų364.3 Ų64.32%0.01633%0.327CS..Hα-helixtrans-64.4-39.6-177.9-67.7179.8000112.9V14 F16 I33 S39 S40 W41 V43 F237 F241V14-L37 HydrophobicContact CG1-CD1 4.37Å; F16-L37 HydrophobicContact CE2-CD1 4.47Å; I33-L37 HydrophobicContact CG2-CD1 3.67Å; I33-L37 HydrophobicContact CG2-CG 4.04Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.37Å; I33-L37 PolarHBondContact O-N 2.96Å; L37-S39 PolarHBondContact O-N 3.32Å; L37-S40 PolarHBondContact O-N 2.82Å; L37-W41 WeakPolarHBondContact O-CA 3.4Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 3.15Å; L37-V43 HydrophobicContact CB-CG2 3.58Å; L37-V43 HydrophobicContact CD1-CG2 4.32Å; L37-F237 HydrophobicContact CD1-CZ 4.33Å; L37-F237 HydrophobicContact CD2-CE1 4.35Å; L37-F237 HydrophobicContact CD2-CZ 4.49Å; L37-F241 HydrophobicContact CD1-CE2 4.4Å; L37-F241 HydrophobicContact CD2-CD1 4.33Å; L37-F241 HydrophobicContact CD2-CD2 3.9Å; L37-F241 HydrophobicContact CD2-CE1 3.93Å; L37-F241 HydrophobicContact CD2-CE2 3.46Å; L37-F241 VanDerWaalsContact CD2-CE2 3.46Å; L37-F241 HydrophobicContact CD2-CG 4.31Å; L37-F241 HydrophobicContact CD2-CZ 3.47Å; L37-F241 VanDerWaalsContact CD2-CZ 3.47Å
38K92.6Very high93.9Very high140 Ų14064.5 Ų64.561%0.60932%0.322SS*.THydrogen-bonded Turntrans-59.3-14.5-179.2-81.5173.8-178.2-177.60115A34 Y36 S40 W41 V43A34-K38 VanDerWaalsContact O-CB 3.25Å; A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 WeakPolarHBondContact O-CD 3.32Å; A34-K38 WeakPolarHBondContact O-CG 3.24Å; A34-K38 PolarHBondContact O-N 3.24Å; Y36-K38 PolarHBondContact O-N 3.39Å; K38-S40 VanDerWaalsContact C-N 3.32Å; K38-W41 WeakPolarHBondContact CA-O 3.49Å; K38-V43 HydrophobicContact CG-CB 4.38Å; K38-V43 HydrophobicContact CG-CG2 4.02Å
39S88.4Confident93.8Very high93 Ų9364 Ų6465%0.6532%0.323SS*.THydrogen-bonded Turntrans-68.7-28.7173.766.60000113.5Y36 L37Y36-S39 WeakPolarHBondContact O-CB 3.35Å; Y36-S39 PolarHBondContact O-N 2.69Å; Y36-S39 PolarHBondContact O-OG 3.08Å; L37-S39 PolarHBondContact O-N 3.32Å
40S90.3Very high93.7Very high82 Ų8261.5 Ų61.557%0.57331%0.312SS*.THydrogen-bonded Turntrans-135.8-13.2-176.5-52.10000114.2L37 K38L37-S40 PolarHBondContact O-N 2.82Å; K38-S40 VanDerWaalsContact C-N 3.32Å
41W93.9Very high93.5Very high42 Ų4264 Ų6416%0.15933%0.328CS..SBendtrans-128.8144.4-172.8-6579.5000111.8N12 V14 L37 K38 V43 K59 F241 T245N12-W41 HydrophobicContact CB-CD2 3.98Å; N12-W41 HydrophobicContact CB-CE3 3.73Å; N12-W41 HydrophobicContact CB-CH2 4.45Å; N12-W41 HydrophobicContact CB-CZ3 4Å; N12-W41 WeakPolarHBondContact O-CA 3.41Å; N12-W41 WeakPolarHBondContact OD1-CH2 3.02Å; V14-W41 HydrophobicContact CG2-CB 4.18Å; V14-W41 HydrophobicContact CG2-CD2 4.18Å; V14-W41 HydrophobicContact CG2-CE3 3.69Å; V14-W41 HydrophobicContact CG2-CG 4.36Å; V14-W41 HydrophobicContact CG2-CZ3 4.48Å; L37-W41 WeakPolarHBondContact O-CA 3.4Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 3.15Å; K38-W41 WeakPolarHBondContact CA-O 3.49Å; W41-V43 PolarHBondContact O-N 3.18Å; W41-K59 HydrophobicContact CH2-CG 4.1Å; W41-K59 HydrophobicContact CZ3-CB 3.97Å; W41-K59 HydrophobicContact CZ3-CG 3.83Å; W41-F241 AromaticContact CD1-CZ 3.83Å; W41-F241 HydrophobicContact CD2-CE1 4.3Å; W41-F241 AromaticContact CD2-CZ 3.67Å; W41-F241 HydrophobicContact CD2-CZ 3.67Å; W41-F241 AromaticContact CE2-CE1 3.67Å; W41-F241 AromaticContact CE2-CZ 3.51Å; W41-F241 HydrophobicContact CE3-CZ 4.2Å; W41-F241 AromaticContact CG-CZ 3.95Å; W41-F241 HydrophobicContact CG-CZ 3.95Å; W41-F241 HydrophobicContact CZ2-CE1 4.01Å; W41-F241 AromaticContact CZ2-CZ 3.99Å; W41-F241 HydrophobicContact CZ2-CZ 3.99Å; W41-F241 AromaticContact NE1-CE1 3.48Å; W41-F241 AromaticContact NE1-CZ 3.61Å; W41-T245 HydrophobicContact CH2-CG2 3.59Å; W41-T245 HydrophobicContact CZ2-CG2 3.98Å; W41-T245 HydrophobicContact CZ3-CG2 4.05Å
42K93.5Very high93.1Very high107 Ų10764.8 Ų64.847%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-80.4112.3170.4-178.4-178.2169-167.30108.5E10 N12 T13 V14 V44E10-K42 IonicContact OE1-NZ 2.78Å; E10-K42 PolarHBondContact OE1-NZ 2.95Å; E10-K42 IonicContact OE2-NZ 3.07Å; E10-K42 PolarHBondContact OE2-NZ 2.88Å; N12-K42 PolarHBondContact O-N 3.32Å; T13-K42 WeakPolarHBondContact CA-O 3.44Å; V14-K42 PolarHBondContact N-O 3.26Å; K42-V44 HydrophobicContact CD-CG2 4.43Å; K42-V44 HydrophobicContact CG-CG2 3.95Å
43V94.2Very high92.7Very high23 Ų2369.2 Ų69.214%0.13935%0.348CS..EExtended strand (participates in β ladder)trans-99120179.3-171.20000110V14 F16 L26 L37 K38 W41V14-V43 WeakPolarHBondContact O-CA 3.04Å; F16-V43 HydrophobicContact CD2-CG1 3.95Å; F16-V43 HydrophobicContact CE2-CG1 3.96Å; L26-V43 HydrophobicContact CD1-CG1 4.2Å; L26-V43 HydrophobicContact CD2-CG1 3.56Å; L37-V43 HydrophobicContact CB-CG2 3.58Å; L37-V43 HydrophobicContact CD1-CG2 4.32Å; K38-V43 HydrophobicContact CG-CB 4.38Å; K38-V43 HydrophobicContact CG-CG2 4.02Å; W41-V43 PolarHBondContact O-N 3.18Å
44V93.2Very high92.4Very high54 Ų5474.1 Ų74.133%0.32737%0.367SS..EExtended strand (participates in β ladder)trans-124.1153.9-176.8-175.10000110.3T13 V14 V15 F16 K42T13-V44 HydrophobicContact CG2-CG2 4.28Å; V14-V44 PolarHBondContact O-N 2.8Å; V15-V44 WeakPolarHBondContact CA-O 3.31Å; V15-V44 HydrophobicContact CG2-CB 4.23Å; F16-V44 PolarHBondContact N-O 2.68Å; K42-V44 HydrophobicContact CD-CG2 4.43Å; K42-V44 HydrophobicContact CG-CG2 3.95Å
45I94.7Very high92.2Very high58 Ų5874 Ų7430%0.29737%0.365SS..EExtended strand (participates in β ladder)trans-107127.2173.6-61.8176000108F16 Q18 L26 K47F16-I45 WeakPolarHBondContact O-CA 3.44Å; Q18-I45 HydrophobicContact CB-CG2 4.07Å; Q18-I45 VanDerWaalsContact CD-CG2 3.45Å; Q18-I45 HydrophobicContact CG-CG2 3.72Å; L26-I45 HydrophobicContact CB-CD1 4.22Å; L26-I45 HydrophobicContact CB-CG1 4.26Å; L26-I45 HydrophobicContact CD2-CD1 4.06Å; L26-I45 HydrophobicContact CD2-CG1 3.68Å; I45-K47 HydrophobicContact CG2-CG 4.07Å
46N94.8Very high91.8Very high9 Ų968.8 Ų68.85%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-92.1122.2172.8-17654.5000111V15 F16 N17 Q18 D48 R54 F61V15-N46 HydrophobicContact CG1-CB 3.52Å; F16-N46 PolarHBondContact O-N 2.95Å; N17-N46 PolarHBondContact OD1-ND2 3.21Å; Q18-N46 WeakPolarHBondContact CA-O 3.02Å; Q18-N46 PolarHBondContact N-O 2.88Å; N46-D48 PolarHBondContact ND2-O 2.89Å; N46-D48 PolarHBondContact OD1-O 2.92Å; N46-R54 PolarHBondContact OD1-NE 2.79Å; N46-R54 PolarHBondContact OD1-NH2 2.81Å; N46-F61 HydrophobicContact CB-CE2 4.44Å
47K93.1Very high91.5Very high149 Ų14968.1 Ų68.165%0.64835%0.346SS*.  trans-118.1-2175-62.4-174.8179.5-177.90113.3Q18 I45Q18-K47 HydrophobicContact CB-CG 4.46Å; I45-K47 HydrophobicContact CG2-CG 4.07Å
48D91.2Very high91.3Very high86 Ų8668.4 Ų68.446%0.4635%0.348SS..SBendtrans-104.9162.4-178.4-51.2-53.2000110.1T19 N46 R54T19-D48 WeakPolarHBondContact CG2-O 3.44Å; N46-D48 PolarHBondContact ND2-O 2.89Å; N46-D48 PolarHBondContact OD1-O 2.92Å; D48-R54 IonicContact OD2-CZ 2.69Å; D48-R54 IonicContact OD2-NH1 3.72Å; D48-R54 PolarHBondContact OD2-NH1 2.88Å; D48-R54 IonicContact OD2-NH2 2.73Å; D48-R54 PolarHBondContact OD2-NH2 2.98Å
49D91.5Very high91.3Very high122 Ų12263.7 Ų63.765%0.65233%0.328SS*.  trans-50.8142.6-175.8-66-31.6000114T51D49-T51 HydrophobicContact CB-CG2 4.43Å; D49-T51 PolarHBondContact O-N 2.85Å
50I93.9Very high91.7Very high5 Ų559.4 Ų59.43%0.02630%0.298CS..  trans-76.9100-178.1-52.9174.5000108.7L55 F61 F70 E74 I78I50-L55 HydrophobicContact CG2-CD1 3.79Å; I50-L55 HydrophobicContact CG2-CG 4.34Å; I50-F61 HydrophobicContact CD1-CE1 4.42Å; I50-F61 HydrophobicContact CD1-CZ 4.25Å; I50-F61 HydrophobicContact CG1-CZ 4.31Å; I50-F61 HydrophobicContact CG2-CE1 4.39Å; I50-F61 HydrophobicContact CG2-CZ 4.36Å; I50-F70 HydrophobicContact CD1-CD1 3.93Å; I50-F70 HydrophobicContact CD1-CE1 3.58Å; I50-E74 HydrophobicContact CB-CB 4.28Å; I50-E74 HydrophobicContact CB-CG 4.06Å; I50-I78 HydrophobicContact CD1-CD1 4.49Å; I50-I78 HydrophobicContact CG2-CD1 4.25Å; I50-I78 HydrophobicContact CG2-CG1 3.86Å
51T92.8Very high92Very high54 Ų5455.6 Ų55.633%0.33127%0.27SS..  trans-120.4151-179.457.80000110.5D49 E53 R54 L55D49-T51 HydrophobicContact CB-CG2 4.43Å; D49-T51 PolarHBondContact O-N 2.85Å; T51-E53 VanDerWaalsContact C-N 3.3Å; T51-E53 PolarHBondContact O-N 2.76Å; T51-R54 PolarHBondContact O-N 3Å; T51-R54 WeakPolarHBondContact OG1-CG 3.44Å; T51-L55 WeakPolarHBondContact O-CG 3.5Å; T51-L55 PolarHBondContact O-N 3.41Å; T51-L55 VanDerWaalsContact O-N 3.13Å
52H88.8Confident92.2Very high62 Ų6253.7 Ų53.729%0.28726%0.263SS..Hα-helixtrans-59.1-39178.7178.5-90.8000112.8R54 L55 S56 K80H52-R54 VanDerWaalsContact C-N 3.28Å; H52-R54 PolarHBondContact O-N 3.18Å; H52-L55 PolarHBondContact O-N 3.33Å; H52-L55 VanDerWaalsContact O-N 3.16Å; H52-S56 WeakPolarHBondContact O-CB 3.34Å; H52-S56 PolarHBondContact O-N 3.09Å; H52-S56 PolarHBondContact O-OG 2.88Å; H52-K80 VanDerWaalsContact CD2-CB 3.5Å; H52-K80 WeakPolarHBondContact CD2-CB 3.25Å
53E87.8Confident92.4Very high145 Ų14548.6 Ų48.668%0.67824%0.241SC*.Hα-helixtrans-61.4-35.3-179-63175.5-177.400112.8T51 S56T51-E53 VanDerWaalsContact C-N 3.3Å; T51-E53 PolarHBondContact O-N 2.76Å; E53-S56 PolarHBondContact O-OG 3.33Å
54R87.4Confident92.6Very high104 Ų10447.5 Ų47.539%0.39224%0.235SC..Hα-helixtrans-78-36.6175.5-68-17869.6111.4-10.6112N46 D48 T51 H52 S56 I57 V58N46-R54 PolarHBondContact OD1-NE 2.79Å; N46-R54 PolarHBondContact OD1-NH2 2.81Å; D48-R54 IonicContact OD2-CZ 2.69Å; D48-R54 IonicContact OD2-NH1 3.72Å; D48-R54 PolarHBondContact OD2-NH1 2.88Å; D48-R54 IonicContact OD2-NH2 2.73Å; D48-R54 PolarHBondContact OD2-NH2 2.98Å; T51-R54 PolarHBondContact O-N 3Å; T51-R54 WeakPolarHBondContact OG1-CG 3.44Å; H52-R54 VanDerWaalsContact C-N 3.28Å; H52-R54 PolarHBondContact O-N 3.18Å; R54-S56 VanDerWaalsContact C-N 3.35Å; R54-I57 WeakPolarHBondContact O-CG1 3.4Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å
55L91Very high92.7Very high6 Ų645 Ų453%0.03122%0.219CC..Hα-helixtrans-71.4-31178.5-68.1179.4000111.9I50 T51 H52 I57 V58 F61 I78 Y81I50-L55 HydrophobicContact CG2-CD1 3.79Å; I50-L55 HydrophobicContact CG2-CG 4.34Å; T51-L55 WeakPolarHBondContact O-CG 3.5Å; T51-L55 PolarHBondContact O-N 3.41Å; T51-L55 VanDerWaalsContact O-N 3.13Å; H52-L55 PolarHBondContact O-N 3.33Å; H52-L55 VanDerWaalsContact O-N 3.16Å; L55-I57 PolarHBondContact O-N 3.14Å; L55-I57 VanDerWaalsContact O-N 3.12Å; L55-V58 WeakPolarHBondContact O-CB 3.37Å; L55-V58 PolarHBondContact O-N 2.76Å; L55-F61 HydrophobicContact CD2-CB 4.17Å; L55-F61 HydrophobicContact CD2-CD1 3.89Å; L55-F61 HydrophobicContact CD2-CD2 3.55Å; L55-F61 HydrophobicContact CD2-CE1 4.09Å; L55-F61 HydrophobicContact CD2-CE2 3.76Å; L55-F61 HydrophobicContact CD2-CG 3.61Å; L55-F61 HydrophobicContact CD2-CZ 4.02Å; L55-I78 HydrophobicContact CD1-CG1 4.19Å; L55-Y81 HydrophobicContact CB-CD2 3.56Å; L55-Y81 HydrophobicContact CB-CE2 4.16Å; L55-Y81 HydrophobicContact CB-CG 3.77Å; L55-Y81 HydrophobicContact CD1-CD1 4.37Å; L55-Y81 HydrophobicContact CD1-CG 4.05Å; L55-Y81 HydrophobicContact CG-CG 4.41Å; L55-Y81 WeakPolarHBondContact O-CD2 3.45Å; L55-Y81 WeakPolarHBondContact O-CE2 3.46Å
56S86.7Confident92.8Very high21 Ų2142.2 Ų42.215%0.14721%0.205CC..THydrogen-bonded Turntrans-64.5-18.6-177.852.70000114.7I9 H52 E53 R54I9-S56 WeakPolarHBondContact CG1-O 3.21Å; H52-S56 WeakPolarHBondContact O-CB 3.34Å; H52-S56 PolarHBondContact O-N 3.09Å; H52-S56 PolarHBondContact O-OG 2.88Å; E53-S56 PolarHBondContact O-OG 3.33Å; R54-S56 VanDerWaalsContact C-N 3.35Å
57I87.2Confident92.9Very high66 Ų6643.8 Ų43.834%0.33822%0.215SC..THydrogen-bonded Turntrans-94.2-0.6175.960.1167.1000113.1E10 R54 L55E10-I57 PolarHBondContact N-O 3.45Å; R54-I57 WeakPolarHBondContact O-CG1 3.4Å; L55-I57 PolarHBondContact O-N 3.14Å; L55-I57 VanDerWaalsContact O-N 3.12Å
58V91.5Very high93.1Very high8 Ų839.8 Ų39.85%0.04820%0.199CC..  trans-105.9137.1-173.3177.40000109.6V15 R54 L55 L60 Y81V15-V58 HydrophobicContact CB-CG1 3.9Å; V15-V58 HydrophobicContact CB-CG2 4.24Å; V15-V58 HydrophobicContact CG2-CB 4.17Å; V15-V58 HydrophobicContact CG2-CG1 3.63Å; V15-V58 HydrophobicContact CG2-CG2 3.38Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å; L55-V58 WeakPolarHBondContact O-CB 3.37Å; L55-V58 PolarHBondContact O-N 2.76Å; V58-L60 VanDerWaalsContact CG1-C 3.47Å; V58-L60 WeakPolarHBondContact CG1-O 3.19Å; V58-Y81 WeakPolarHBondContact O-CE2 3.44Å; V58-Y81 PolarHBondContact O-OH 3.36Å
59K92.7Very high93.3Very high41 Ų4142.6 Ų42.618%0.17821%0.207CC..SBendtrans-84.4-42.9174.4-176.663176.5-179.90111.7I9 T13 W41 Y81 S87 T245I9-K59 HydrophobicContact CG2-CB 4.32Å; T13-K59 PolarHBondContact O-N 2.76Å; W41-K59 HydrophobicContact CH2-CG 4.1Å; W41-K59 HydrophobicContact CZ3-CB 3.97Å; W41-K59 HydrophobicContact CZ3-CG 3.83Å; K59-Y81 PolarHBondContact O-OH 2.97Å; K59-Y81 VanDerWaalsContact O-OH 3.14Å; K59-S87 WeakPolarHBondContact O-CB 3.43Å; K59-S87 PolarHBondContact O-N 3.39Å; K59-S87 VanDerWaalsContact O-N 3.11Å; K59-T245 WeakPolarHBondContact CE-O 3.42Å; K59-T245 HydrophobicContact CG-CG2 4.44Å
60L95.8Very high93.5Very high4 Ų437.2 Ų37.22%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-131.1121.5179.1176.260.3000111.4T13 V14 V15 V58 V62 S87 L89 F241 L244T13-L60 PolarHBondContact O-N 2.68Å; V14-L60 CarbonylContact C-O 3.54Å; V14-L60 WeakPolarHBondContact CA-O 3.08Å; V14-L60 HydrophobicContact CG1-CB 4.27Å; V14-L60 HydrophobicContact CG1-CD2 4.08Å; V14-L60 HydrophobicContact CG1-CG 4.2Å; V14-L60 HydrophobicContact CG2-CB 4.33Å; V15-L60 PolarHBondContact N-O 2.93Å; V58-L60 VanDerWaalsContact CG1-C 3.47Å; V58-L60 WeakPolarHBondContact CG1-O 3.19Å; L60-V62 HydrophobicContact CD2-CG2 4.27Å; L60-V62 HydrophobicContact CG-CG2 4.04Å; L60-S87 WeakPolarHBondContact CA-O 3.46Å; L60-L89 HydrophobicContact CD1-CB 4.07Å; L60-F241 HydrophobicContact CD2-CD2 3.79Å; L60-F241 HydrophobicContact CD2-CE2 3.77Å; L60-L244 HydrophobicContact CD1-CB 4.23Å; L60-L244 HydrophobicContact CD1-CD1 3.89Å
61F97Very high93.6Very high1 Ų139.6 Ų39.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-103.6129.7173.1-169.4-121000109.6V15 N17 N46 I50 L55 I63 Y81 S87 L88 L89V15-F61 HydrophobicContact CB-CD2 4.02Å; V15-F61 HydrophobicContact CG1-CD2 3.88Å; V15-F61 HydrophobicContact CG1-CE2 3.91Å; V15-F61 CarbonylContact O-C 3.24Å; N17-F61 HydrophobicContact CB-CE1 4.25Å; N17-F61 HydrophobicContact CB-CE2 3.88Å; N17-F61 HydrophobicContact CB-CZ 3.54Å; N17-F61 WeakPolarHBondContact OD1-CZ 3.41Å; N46-F61 HydrophobicContact CB-CE2 4.44Å; I50-F61 HydrophobicContact CD1-CE1 4.42Å; I50-F61 HydrophobicContact CD1-CZ 4.25Å; I50-F61 HydrophobicContact CG1-CZ 4.31Å; I50-F61 HydrophobicContact CG2-CE1 4.39Å; I50-F61 HydrophobicContact CG2-CZ 4.36Å; L55-F61 HydrophobicContact CD2-CB 4.17Å; L55-F61 HydrophobicContact CD2-CD1 3.89Å; L55-F61 HydrophobicContact CD2-CD2 3.55Å; L55-F61 HydrophobicContact CD2-CE1 4.09Å; L55-F61 HydrophobicContact CD2-CE2 3.76Å; L55-F61 HydrophobicContact CD2-CG 3.61Å; L55-F61 HydrophobicContact CD2-CZ 4.02Å; F61-I63 HydrophobicContact CD1-CD1 4.22Å; F61-I63 HydrophobicContact CD1-CG1 4.01Å; F61-I63 HydrophobicContact CE1-CD1 3.87Å; F61-I63 HydrophobicContact CE1-CG1 3.72Å; F61-Y81 HydrophobicContact CB-CE1 3.89Å; F61-Y81 PolarHBondContact N-OH 2.99Å; F61-S87 PolarHBondContact N-O 2.84Å; F61-L88 HydrophobicContact CB-CD1 4.26Å; F61-L88 HydrophobicContact CD1-CD1 3.76Å; F61-L88 HydrophobicContact CG-CD1 4.45Å; F61-L88 WeakPolarHBondContact O-CA 3.24Å; F61-L88 WeakPolarHBondContact O-CD1 3.41Å; F61-L89 PolarHBondContact O-N 3.25Å
62V98.2Very high93.8Very high2 Ų241.4 Ų41.41%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-117.5124.2-175.8-173.30000109.7V14 V15 F16 N17 L60 L89 L91V14-V62 HydrophobicContact CG1-CG2 4.16Å; V15-V62 PolarHBondContact O-N 3.39Å; F16-V62 HydrophobicContact CD1-CB 3.91Å; F16-V62 HydrophobicContact CD1-CG1 3.84Å; F16-V62 HydrophobicContact CD1-CG2 4.48Å; F16-V62 HydrophobicContact CE1-CB 4.06Å; F16-V62 HydrophobicContact CE1-CG1 3.74Å; F16-V62 HydrophobicContact CE1-CG2 4.27Å; F16-V62 HydrophobicContact CE2-CG2 4.38Å; F16-V62 HydrophobicContact CG-CB 4.23Å; F16-V62 HydrophobicContact CZ-CB 4.49Å; F16-V62 HydrophobicContact CZ-CG1 4.45Å; F16-V62 HydrophobicContact CZ-CG2 4.21Å; N17-V62 WeakPolarHBondContact CB-O 3.19Å; N17-V62 PolarHBondContact N-O 2.86Å; L60-V62 HydrophobicContact CD2-CG2 4.27Å; L60-V62 HydrophobicContact CG-CG2 4.04Å; V62-L89 CarbonylContact C-O 3.57Å; V62-L89 WeakPolarHBondContact CA-O 3.42Å; V62-L89 HydrophobicContact CG1-CB 4.41Å; V62-L89 HydrophobicContact CG1-CD2 4.23Å; V62-L89 HydrophobicContact CG1-CG 4.39Å; V62-L89 HydrophobicContact CG2-CB 4.29Å; V62-L89 HydrophobicContact CG2-CD2 4.44Å; V62-L91 HydrophobicContact CG1-CD1 4.44Å
63I97.9Very high94.1Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-113.3114.2174.9-61176.7000107.7N17 F61 P66 F70 I78 L88 L89 V90 L91N17-I63 HydrophobicContact CB-CG1 4.41Å; F61-I63 HydrophobicContact CD1-CD1 4.22Å; F61-I63 HydrophobicContact CD1-CG1 4.01Å; F61-I63 HydrophobicContact CE1-CD1 3.87Å; F61-I63 HydrophobicContact CE1-CG1 3.72Å; I63-P66 HydrophobicContact CG2-CB 4.07Å; I63-P66 HydrophobicContact CG2-CG 3.68Å; I63-F70 HydrophobicContact CD1-CE1 4.28Å; I63-F70 HydrophobicContact CD1-CZ 4.16Å; I63-F70 HydrophobicContact CG2-CZ 4.05Å; I63-I78 HydrophobicContact CD1-CD1 4.2Å; I63-L88 HydrophobicContact CD1-CD1 3.93Å; I63-L88 HydrophobicContact CG1-CD1 4.11Å; I63-L89 PolarHBondContact N-O 3.23Å; I63-V90 WeakPolarHBondContact O-CA 3.12Å; I63-L91 PolarHBondContact O-N 3.03Å
64S96.9Very high94.5Very high1 Ų135.3 Ų35.31%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-120.388.4-170.3490000112.8E22 F24E22-S64 WeakPolarHBondContact CB-O 3.41Å; F24-S64 PolarHBondContact N-O 2.87Å; F24-S64 PolarHBondContact O-OG 3.19Å
65G96.3Very high94.9Very high0 Ų031.4 Ų31.40%018%0.178CC..SBendtrans65.958.3177.800000112.8E22 A23 T67 L91 Y100E22-G65 WeakPolarHBondContact CA-O 2.96Å; A23-G65 PolarHBondContact N-O 3.43Å; G65-T67 PolarHBondContact O-N 3.37Å; G65-L91 PolarHBondContact N-O 3.01Å; G65-Y100 WeakPolarHBondContact O-CD1 3Å
66P97.2Very high95.2Very high0 Ų035.6 Ų35.60%020%0.201CC..  trans-62.5133.9-179.328.7-31.8000108.9K20 I63 F70 M92 Y100 T102K20-P66 HydrophobicContact CB-CB 3.77Å; I63-P66 HydrophobicContact CG2-CB 4.07Å; I63-P66 HydrophobicContact CG2-CG 3.68Å; P66-F70 HydrophobicContact CB-CE2 3.78Å; P66-F70 HydrophobicContact CB-CZ 3.84Å; P66-F70 HydrophobicContact CG-CE2 3.8Å; P66-F70 HydrophobicContact CG-CZ 4.08Å; P66-M92 HydrophobicContact CG-SD 4.46Å; P66-Y100 WeakPolarHBondContact O-CB 3.23Å; P66-T102 HydrophobicContact CG-CG2 4.14Å; P66-T102 VanDerWaalsContact O-CB 3.32Å; P66-T102 WeakPolarHBondContact O-CB 3.12Å
67T96.5Very high95.6Very high42 Ų4235.6 Ų35.626%0.25820%0.201SC..  trans-102.1-4.6-178.964.10000114.5K20 K21 A23 G65 Y100 T101K20-T67 PolarHBondContact O-N 3.3Å; K20-T67 PolarHBondContact O-OG1 2.96Å; K21-T67 VanDerWaalsContact CB-OG1 3.24Å; K21-T67 WeakPolarHBondContact CB-OG1 3.27Å; K21-T67 WeakPolarHBondContact O-CG2 3.49Å; K21-T67 PolarHBondContact O-OG1 3.47Å; A23-T67 HydrophobicContact CB-CG2 4.21Å; G65-T67 PolarHBondContact O-N 3.37Å; T67-Y100 CarbonylContact C-O 3.57Å; T67-Y100 VanDerWaalsContact C-O 3.24Å; T67-Y100 WeakPolarHBondContact CA-O 3.4Å; T67-Y100 HydrophobicContact CG2-CD1 4.19Å; T67-Y100 VanDerWaalsContact O-O 3.05Å; T67-T101 PolarHBondContact O-OG1 3.36Å
68E96.2Very high96Very high66 Ų6632.5 Ų32.531%0.30819%0.185SC..SBendtrans-118.4162.8178.2-64-172.5167.200111.8K20 K21 T102K20-E68 HydrophobicContact CB-CB 4.17Å; K20-E68 HydrophobicContact CD-CB 4.03Å; K20-E68 PolarHBondContact O-N 2.94Å; K21-E68 HydrophobicContact CD-CG 4.4Å; K21-E68 WeakPolarHBondContact CD-OE1 3.32Å; K21-E68 WeakPolarHBondContact CE-OE1 3.34Å; K21-E68 IonicContact NZ-OE1 3.15Å; K21-E68 PolarHBondContact NZ-OE1 3.08Å; E68-T102 PolarHBondContact O-OG1 2.84Å
69K95.8Very high96.2Very high145 Ų14535.5 Ų35.563%0.6320%0.198SC*.PPolyproline II helixtrans-78.7140.9178.3-64.2-177.1-179.6-179.60111.1K20 N103K20-K69 WeakPolarHBondContact CE-O 3.33Å; K20-K69 PolarHBondContact NZ-O 2.92Å; K69-N103 WeakPolarHBondContact CA-OD1 3.36Å; K69-N103 HydrophobicContact CG-CB 4.19Å
70F96.9Very high96.2Very high8 Ų839.1 Ų39.14%0.03521%0.213CC..PPolyproline II helixtrans-82.8140.9167.2-60.4-97.1000109.7K20 I50 I63 P66 E74 F75 I78 N103 I104K20-F70 HydrophobicContact CB-CZ 4.4Å; K20-F70 HydrophobicContact CD-CD1 4.46Å; K20-F70 HydrophobicContact CD-CE1 4.49Å; K20-F70 HydrophobicContact CG-CD1 4.1Å; K20-F70 HydrophobicContact CG-CE1 3.66Å; K20-F70 HydrophobicContact CG-CE2 4.25Å; K20-F70 HydrophobicContact CG-CZ 3.74Å; I50-F70 HydrophobicContact CD1-CD1 3.93Å; I50-F70 HydrophobicContact CD1-CE1 3.58Å; I63-F70 HydrophobicContact CD1-CE1 4.28Å; I63-F70 HydrophobicContact CD1-CZ 4.16Å; I63-F70 HydrophobicContact CG2-CZ 4.05Å; P66-F70 HydrophobicContact CB-CE2 3.78Å; P66-F70 HydrophobicContact CB-CZ 3.84Å; P66-F70 HydrophobicContact CG-CE2 3.8Å; P66-F70 HydrophobicContact CG-CZ 4.08Å; F70-E74 WeakPolarHBondContact CA-OE2 3.37Å; F70-E74 HydrophobicContact CB-CB 4.43Å; F70-E74 HydrophobicContact CD1-CB 4.33Å; F70-F75 HydrophobicContact CB-CD1 3.81Å; F70-F75 HydrophobicContact CB-CD2 4.27Å; F70-F75 HydrophobicContact CB-CE1 3.39Å; F70-F75 HydrophobicContact CB-CE2 3.91Å; F70-F75 HydrophobicContact CB-CG 4.24Å; F70-F75 HydrophobicContact CB-CZ 3.45Å; F70-F75 VanDerWaalsContact CB-CZ 3.45Å; F70-F75 HydrophobicContact CD1-CE1 4.37Å; F70-F75 AromaticContact CD2-CE1 3.77Å; F70-F75 HydrophobicContact CD2-CE1 3.77Å; F70-F75 AromaticContact CD2-CZ 3.97Å; F70-F75 HydrophobicContact CD2-CZ 3.97Å; F70-F75 HydrophobicContact CG-CD1 4.21Å; F70-F75 AromaticContact CG-CE1 3.6Å; F70-F75 HydrophobicContact CG-CE1 3.6Å; F70-F75 AromaticContact CG-CZ 3.98Å; F70-F75 HydrophobicContact CG-CZ 3.98Å; F70-I78 HydrophobicContact CD1-CD1 4.36Å; F70-I78 HydrophobicContact CE1-CD1 4.39Å; F70-N103 PolarHBondContact N-OD1 2.86Å; F70-N103 PolarHBondContact O-ND2 3.29Å; F70-I104 HydrophobicContact CD2-CD1 4.4Å; F70-I104 HydrophobicContact CE2-CD1 3.94Å; F70-I104 HydrophobicContact CZ-CD1 4.37Å
71S96.2Very high96.2Very high55 Ų5539 Ų3939%0.38521%0.213SC..PPolyproline II helixtrans-75.7160.8169.567.40000110.8A73 E74 F75S71-A73 PolarHBondContact O-N 2.63Å; S71-E74 WeakPolarHBondContact CB-OE2 3.49Å; S71-E74 PolarHBondContact N-OE2 2.95Å; S71-E74 PolarHBondContact O-N 3.46Å; S71-E74 VanDerWaalsContact OG-CG 3.27Å; S71-E74 WeakPolarHBondContact OG-CG 3.42Å; S71-E74 PolarHBondContact OG-N 2.9Å; S71-E74 PolarHBondContact OG-OE2 3.45Å; S71-F75 PolarHBondContact O-N 3.24Å; S71-F75 VanDerWaalsContact O-N 3.09Å
72S95Very high96Very high92 Ų9239 Ų3964%0.64321%0.212SC*.Hα-helixtrans-59.5-32.4174.7-490000112.5N76S72-N76 WeakPolarHBondContact O-CB 3.39Å; S72-N76 PolarHBondContact O-N 3.17Å; S72-N76 PolarHBondContact O-ND2 3.46Å; S72-N76 VanDerWaalsContact O-ND2 3.14Å
73A95.6Very high95.7Very high64 Ų6443.1 Ų43.153%0.52923%0.232SC..Hα-helixtrans-67.4-39.7177.600000112.3S71 N76 S77S71-A73 PolarHBondContact O-N 2.63Å; A73-N76 PolarHBondContact O-N 3.45Å; A73-S77 WeakPolarHBondContact O-CB 3.31Å; A73-S77 PolarHBondContact O-N 3.47Å; A73-S77 PolarHBondContact O-OG 3.46Å
74E96.4Very high95.4Very high16 Ų1646.7 Ų46.78%0.07525%0.253CS..Hα-helixtrans-67.9-45.4176.3-67.5167.7118.700110.8K20 I50 F70 S71 N76 S77 I78K20-E74 WeakPolarHBondContact CE-OE1 3.46Å; K20-E74 WeakPolarHBondContact CE-OE2 3.39Å; K20-E74 IonicContact NZ-OE1 2.68Å; K20-E74 PolarHBondContact NZ-OE1 2.76Å; K20-E74 IonicContact NZ-OE2 3.64Å; K20-E74 PolarHBondContact NZ-OE2 3.09Å; I50-E74 HydrophobicContact CB-CB 4.28Å; I50-E74 HydrophobicContact CB-CG 4.06Å; F70-E74 WeakPolarHBondContact CA-OE2 3.37Å; F70-E74 HydrophobicContact CB-CB 4.43Å; F70-E74 HydrophobicContact CD1-CB 4.33Å; S71-E74 WeakPolarHBondContact CB-OE2 3.49Å; S71-E74 PolarHBondContact N-OE2 2.95Å; S71-E74 PolarHBondContact O-N 3.46Å; S71-E74 VanDerWaalsContact OG-CG 3.27Å; S71-E74 WeakPolarHBondContact OG-CG 3.42Å; S71-E74 PolarHBondContact OG-N 2.9Å; S71-E74 PolarHBondContact OG-OE2 3.45Å; E74-N76 VanDerWaalsContact C-N 3.34Å; E74-N76 PolarHBondContact O-N 3.17Å; E74-S77 WeakPolarHBondContact O-CB 3.39Å; E74-S77 PolarHBondContact O-N 2.85Å; E74-S77 VanDerWaalsContact O-N 3.09Å; E74-I78 WeakPolarHBondContact O-CG1 3.43Å; E74-I78 PolarHBondContact O-N 3.16Å
75F96.6Very high95Very high21 Ų2147.4 Ų47.49%0.09226%0.261CS..Hα-helixtrans-60.7-41.7175-74.2-34.6000112.8F70 S71 S77 I78 K79 N103 I104 F106 L107F70-F75 HydrophobicContact CB-CD1 3.81Å; F70-F75 HydrophobicContact CB-CD2 4.27Å; F70-F75 HydrophobicContact CB-CE1 3.39Å; F70-F75 HydrophobicContact CB-CE2 3.91Å; F70-F75 HydrophobicContact CB-CG 4.24Å; F70-F75 HydrophobicContact CB-CZ 3.45Å; F70-F75 VanDerWaalsContact CB-CZ 3.45Å; F70-F75 HydrophobicContact CD1-CE1 4.37Å; F70-F75 AromaticContact CD2-CE1 3.77Å; F70-F75 HydrophobicContact CD2-CE1 3.77Å; F70-F75 AromaticContact CD2-CZ 3.97Å; F70-F75 HydrophobicContact CD2-CZ 3.97Å; F70-F75 HydrophobicContact CG-CD1 4.21Å; F70-F75 AromaticContact CG-CE1 3.6Å; F70-F75 HydrophobicContact CG-CE1 3.6Å; F70-F75 AromaticContact CG-CZ 3.98Å; F70-F75 HydrophobicContact CG-CZ 3.98Å; S71-F75 PolarHBondContact O-N 3.24Å; S71-F75 VanDerWaalsContact O-N 3.09Å; F75-S77 VanDerWaalsContact C-N 3.28Å; F75-S77 PolarHBondContact O-N 3.02Å; F75-I78 PolarHBondContact O-N 3.3Å; F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.45Å; F75-N103 WeakPolarHBondContact CE2-ND2 3.09Å; F75-N103 VanDerWaalsContact CZ-O 3.24Å; F75-N103 WeakPolarHBondContact CZ-O 3.09Å; F75-I104 HydrophobicContact CE1-CD1 4.31Å; F75-F106 HydrophobicContact CE2-CB 4.08Å; F75-F106 HydrophobicContact CZ-CB 4.47Å; F75-L107 HydrophobicContact CD1-CB 3.82Å; F75-L107 HydrophobicContact CD1-CD1 4.36Å; F75-L107 HydrophobicContact CD1-CD2 4.17Å; F75-L107 HydrophobicContact CD1-CG 4.34Å; F75-L107 HydrophobicContact CE1-CB 3.74Å; F75-L107 HydrophobicContact CE1-CD2 4.37Å; F75-L107 HydrophobicContact CZ-CB 4.36Å
76N96Very high94.9Very high94 Ų9447.5 Ų47.550%0.50326%0.262SS..Hα-helixtrans-62.7-36.4174.5-72.9-24.5000112S72 A73 E74 K80S72-N76 WeakPolarHBondContact O-CB 3.39Å; S72-N76 PolarHBondContact O-N 3.17Å; S72-N76 PolarHBondContact O-ND2 3.46Å; S72-N76 VanDerWaalsContact O-ND2 3.14Å; A73-N76 PolarHBondContact O-N 3.45Å; E74-N76 VanDerWaalsContact C-N 3.34Å; E74-N76 PolarHBondContact O-N 3.17Å; N76-K80 WeakPolarHBondContact O-CB 3.42Å; N76-K80 WeakPolarHBondContact O-CG 3.24Å; N76-K80 PolarHBondContact O-N 2.88Å
77S96Very high94.8Very high22 Ų2247.7 Ų47.715%0.15426%0.263CS..Hα-helixtrans-67.4-43.9176.3-62.30000111.8A73 E74 F75 K80 Y81A73-S77 WeakPolarHBondContact O-CB 3.31Å; A73-S77 PolarHBondContact O-N 3.47Å; A73-S77 PolarHBondContact O-OG 3.46Å; E74-S77 WeakPolarHBondContact O-CB 3.39Å; E74-S77 PolarHBondContact O-N 2.85Å; E74-S77 VanDerWaalsContact O-N 3.09Å; F75-S77 VanDerWaalsContact C-N 3.28Å; F75-S77 PolarHBondContact O-N 3.02Å; S77-K80 PolarHBondContact O-N 3.45Å; S77-Y81 WeakPolarHBondContact O-CB 3.31Å; S77-Y81 PolarHBondContact O-N 2.86Å
78I96.2Very high94.9Very high0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-64.7-41.1176.6-65.6165.6000110.9I50 L55 I63 F70 E74 F75 Y81 L82 L88 L107I50-I78 HydrophobicContact CD1-CD1 4.49Å; I50-I78 HydrophobicContact CG2-CD1 4.25Å; I50-I78 HydrophobicContact CG2-CG1 3.86Å; L55-I78 HydrophobicContact CD1-CG1 4.19Å; I63-I78 HydrophobicContact CD1-CD1 4.2Å; F70-I78 HydrophobicContact CD1-CD1 4.36Å; F70-I78 HydrophobicContact CE1-CD1 4.39Å; E74-I78 WeakPolarHBondContact O-CG1 3.43Å; E74-I78 PolarHBondContact O-N 3.16Å; F75-I78 PolarHBondContact O-N 3.3Å; I78-Y81 WeakPolarHBondContact O-CB 3.38Å; I78-Y81 PolarHBondContact O-N 3.45Å; I78-L82 PolarHBondContact O-N 3.47Å; I78-L88 HydrophobicContact CG2-CD2 3.58Å; I78-L107 HydrophobicContact CB-CD2 4.42Å; I78-L107 HydrophobicContact CD1-CD2 4.44Å; I78-L107 HydrophobicContact CG2-CD2 3.72Å
79K94.2Very high95Very high72 Ų7242.8 Ų42.831%0.31324%0.238SC..Hα-helixtrans-61.8-50177-177.8176.4179.4169.10111.6F75 Y81 L82 E83F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.45Å; K79-Y81 VanDerWaalsContact C-N 3.27Å; K79-Y81 PolarHBondContact O-N 3.35Å; K79-L82 PolarHBondContact O-N 2.75Å; K79-E83 WeakPolarHBondContact CE-OE1 3.35Å; K79-E83 WeakPolarHBondContact O-CG 3.12Å; K79-E83 PolarHBondContact O-N 3.37Å
80K93.5Very high95.1Very high117 Ų11735.9 Ų35.951%0.50921%0.208SC..Hα-helixtrans-58-42.3175.4-74.6178.7179.3-175.40111.4H52 N76 S77 L82 E83 T84H52-K80 VanDerWaalsContact CD2-CB 3.5Å; H52-K80 WeakPolarHBondContact CD2-CB 3.25Å; N76-K80 WeakPolarHBondContact O-CB 3.42Å; N76-K80 WeakPolarHBondContact O-CG 3.24Å; N76-K80 PolarHBondContact O-N 2.88Å; S77-K80 PolarHBondContact O-N 3.45Å; K80-L82 PolarHBondContact O-N 2.82Å; K80-E83 WeakPolarHBondContact O-CB 3.36Å; K80-E83 PolarHBondContact O-N 2.85Å; K80-T84 WeakPolarHBondContact O-CG2 3.32Å; K80-T84 PolarHBondContact O-N 3.18Å; K80-T84 PolarHBondContact O-OG1 3.02Å; K80-T84 VanDerWaalsContact O-OG1 3.08Å
81Y95.1Very high95.2Very high2 Ų235.7 Ų35.71%0.00821%0.207CC..Hα-helixtrans-56.6-47.4176.1165.1-109.8000112.4L55 V58 K59 F61 S77 I78 K79 T84 G85 G86 S87L55-Y81 HydrophobicContact CB-CD2 3.56Å; L55-Y81 HydrophobicContact CB-CE2 4.16Å; L55-Y81 HydrophobicContact CB-CG 3.77Å; L55-Y81 HydrophobicContact CD1-CD1 4.37Å; L55-Y81 HydrophobicContact CD1-CG 4.05Å; L55-Y81 HydrophobicContact CG-CG 4.41Å; L55-Y81 WeakPolarHBondContact O-CD2 3.45Å; L55-Y81 WeakPolarHBondContact O-CE2 3.46Å; V58-Y81 WeakPolarHBondContact O-CE2 3.44Å; V58-Y81 PolarHBondContact O-OH 3.36Å; K59-Y81 PolarHBondContact O-OH 2.97Å; K59-Y81 VanDerWaalsContact O-OH 3.14Å; F61-Y81 HydrophobicContact CB-CE1 3.89Å; F61-Y81 PolarHBondContact N-OH 2.99Å; S77-Y81 WeakPolarHBondContact O-CB 3.31Å; S77-Y81 PolarHBondContact O-N 2.86Å; I78-Y81 WeakPolarHBondContact O-CB 3.38Å; I78-Y81 PolarHBondContact O-N 3.45Å; K79-Y81 VanDerWaalsContact C-N 3.27Å; K79-Y81 PolarHBondContact O-N 3.35Å; Y81-T84 WeakPolarHBondContact CA-OG1 3.36Å; Y81-T84 PolarHBondContact O-N 2.7Å; Y81-T84 PolarHBondContact O-OG1 2.76Å; Y81-G85 PolarHBondContact O-N 3Å; Y81-G86 WeakPolarHBondContact O-CA 3.49Å; Y81-G86 PolarHBondContact O-N 3.44Å; Y81-S87 VanDerWaalsContact CE1-O 3.27Å; Y81-S87 WeakPolarHBondContact CE1-O 3.4Å; Y81-S87 PolarHBondContact OH-N 2.93Å; Y81-S87 VanDerWaalsContact OH-N 3.09Å; Y81-S87 PolarHBondContact OH-O 2.79Å
82L93.8Very high95.3Very high0 Ų033.1 Ų33.10%019%0.189CC..Hα-helixtrans-63.8-40.6175-70171.5000112.5I78 K79 K80 T84 G85 G86 L88 F111 F206 G212 L214I78-L82 PolarHBondContact O-N 3.47Å; K79-L82 PolarHBondContact O-N 2.75Å; K80-L82 PolarHBondContact O-N 2.82Å; L82-T84 PolarHBondContact O-N 2.78Å; L82-G85 PolarHBondContact O-N 2.83Å; L82-G86 WeakPolarHBondContact CD2-O 3.08Å; L82-L88 HydrophobicContact CD1-CD2 4.24Å; L82-L88 HydrophobicContact CD2-CB 3.65Å; L82-L88 HydrophobicContact CG-CB 4.45Å; L82-F111 HydrophobicContact CD1-CE1 4.48Å; L82-F111 HydrophobicContact CD1-CE2 3.91Å; L82-F111 HydrophobicContact CD1-CZ 3.74Å; L82-F206 HydrophobicContact CB-CD2 4.07Å; L82-F206 HydrophobicContact CB-CE2 3.43Å; L82-F206 VanDerWaalsContact CB-CE2 3.43Å; L82-F206 HydrophobicContact CB-CZ 4.13Å; L82-F206 HydrophobicContact CD1-CE2 4.29Å; L82-F206 HydrophobicContact CG-CE2 4.41Å; L82-G212 VanDerWaalsContact O-CA 3.23Å; L82-G212 WeakPolarHBondContact O-CA 3.34Å; L82-G212 PolarHBondContact O-N 2.81Å; L82-L214 HydrophobicContact CD2-CB 4.48Å
83E92.4Very high95.3Very high89 Ų8928.8 Ų28.842%0.41616%0.159SC..Hα-helixtrans-63.1-31.3175.9-72.6168.8177.700112.3K79 K80 G85 F206K79-E83 WeakPolarHBondContact CE-OE1 3.35Å; K79-E83 WeakPolarHBondContact O-CG 3.12Å; K79-E83 PolarHBondContact O-N 3.37Å; K80-E83 WeakPolarHBondContact O-CB 3.36Å; K80-E83 PolarHBondContact O-N 2.85Å; E83-G85 VanDerWaalsContact C-N 3.32Å; E83-G85 PolarHBondContact O-N 2.87Å; E83-F206 HydrophobicContact CB-CE1 4.4Å; E83-F206 HydrophobicContact CG-CD1 4.33Å; E83-F206 HydrophobicContact CG-CE1 3.47Å; E83-F206 VanDerWaalsContact CG-CE1 3.47Å; E83-F206 HydrophobicContact CG-CZ 3.68Å
84T90.1Very high95.4Very high74 Ų7426.7 Ų26.745%0.45414%0.138SC..THydrogen-bonded Turntrans-85.47.7178.1570000115.1K80 Y81 L82 N210K80-T84 WeakPolarHBondContact O-CG2 3.32Å; K80-T84 PolarHBondContact O-N 3.18Å; K80-T84 PolarHBondContact O-OG1 3.02Å; K80-T84 VanDerWaalsContact O-OG1 3.08Å; Y81-T84 WeakPolarHBondContact CA-OG1 3.36Å; Y81-T84 PolarHBondContact O-N 2.7Å; Y81-T84 PolarHBondContact O-OG1 2.76Å; L82-T84 PolarHBondContact O-N 2.78Å; T84-N210 CarbonylContact C-O 3.51Å
85G89.5Confident95.4Very high16 Ų1628.7 Ų28.717%0.16515%0.15CC..THydrogen-bonded Turntrans97.96.5177.300000115Y81 L82 E83 N210Y81-G85 PolarHBondContact O-N 3Å; L82-G85 PolarHBondContact O-N 2.83Å; E83-G85 VanDerWaalsContact C-N 3.32Å; E83-G85 PolarHBondContact O-N 2.87Å; G85-N210 WeakPolarHBondContact CA-O 3.38Å; G85-N210 PolarHBondContact N-O 2.88Å
86G92.9Very high95.2Very high3 Ų327.7 Ų27.73%0.03115%0.145CC..  trans-72.6145.9176.100000112.6Y81 L82 G212 T213Y81-G86 WeakPolarHBondContact O-CA 3.49Å; Y81-G86 PolarHBondContact O-N 3.44Å; L82-G86 WeakPolarHBondContact CD2-O 3.08Å; G86-G212 WeakPolarHBondContact O-CA 3.48Å; G86-T213 PolarHBondContact O-N 2.87Å
87S95.9Very high95.1Very high3 Ų325.2 Ų25.22%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-104.7139.8176.6-63.50000112.4K59 L60 F61 Y81 T213 L244K59-S87 WeakPolarHBondContact O-CB 3.43Å; K59-S87 PolarHBondContact O-N 3.39Å; K59-S87 VanDerWaalsContact O-N 3.11Å; L60-S87 WeakPolarHBondContact CA-O 3.46Å; F61-S87 PolarHBondContact N-O 2.84Å; Y81-S87 VanDerWaalsContact CE1-O 3.27Å; Y81-S87 WeakPolarHBondContact CE1-O 3.4Å; Y81-S87 PolarHBondContact OH-N 2.93Å; Y81-S87 VanDerWaalsContact OH-N 3.09Å; Y81-S87 PolarHBondContact OH-O 2.79Å; S87-T213 CarbonylContact C-O 3.51Å; S87-T213 WeakPolarHBondContact CA-O 3.39Å; S87-L244 VanDerWaalsContact CB-O 3.25Å; S87-L244 WeakPolarHBondContact CB-O 3.45Å; S87-L244 PolarHBondContact OG-O 2.99Å
88L97.7Very high94.9Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-124.6127.4-177.2-17957.5000110.6F61 I63 I78 L82 V90 L107 T213 L214 A215F61-L88 HydrophobicContact CB-CD1 4.26Å; F61-L88 HydrophobicContact CD1-CD1 3.76Å; F61-L88 HydrophobicContact CG-CD1 4.45Å; F61-L88 WeakPolarHBondContact O-CA 3.24Å; F61-L88 WeakPolarHBondContact O-CD1 3.41Å; I63-L88 HydrophobicContact CD1-CD1 3.93Å; I63-L88 HydrophobicContact CG1-CD1 4.11Å; I78-L88 HydrophobicContact CG2-CD2 3.58Å; L82-L88 HydrophobicContact CD1-CD2 4.24Å; L82-L88 HydrophobicContact CD2-CB 3.65Å; L82-L88 HydrophobicContact CG-CB 4.45Å; L88-V90 HydrophobicContact CD1-CG2 4.24Å; L88-V90 HydrophobicContact CD2-CG2 4.03Å; L88-V90 HydrophobicContact CG-CG2 3.86Å; L88-L107 HydrophobicContact CD2-CD2 4.21Å; L88-T213 PolarHBondContact N-O 3.14Å; L88-L214 HydrophobicContact CB-CD1 4Å; L88-L214 HydrophobicContact CD2-CD1 3.87Å; L88-L214 HydrophobicContact CG-CD1 3.83Å; L88-L214 CarbonylContact O-C 3.6Å; L88-L214 WeakPolarHBondContact O-CA 3.48Å; L88-A215 PolarHBondContact O-N 2.92Å
89L98.5Very high94.8Very high6 Ų634.5 Ų34.53%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-112.6117.8168.8178.462.7000109.5L60 F61 V62 I63 L91 A215 V217 L244L60-L89 HydrophobicContact CD1-CB 4.07Å; F61-L89 PolarHBondContact O-N 3.25Å; V62-L89 CarbonylContact C-O 3.57Å; V62-L89 WeakPolarHBondContact CA-O 3.42Å; V62-L89 HydrophobicContact CG1-CB 4.41Å; V62-L89 HydrophobicContact CG1-CD2 4.23Å; V62-L89 HydrophobicContact CG1-CG 4.39Å; V62-L89 HydrophobicContact CG2-CB 4.29Å; V62-L89 HydrophobicContact CG2-CD2 4.44Å; I63-L89 PolarHBondContact N-O 3.23Å; L89-L91 HydrophobicContact CD1-CD2 3.81Å; L89-L91 HydrophobicContact CD2-CD1 4.5Å; L89-L91 HydrophobicContact CD2-CD2 4.15Å; L89-L91 HydrophobicContact CD2-CG 4.41Å; L89-L91 HydrophobicContact CG-CD2 3.87Å; L89-L91 HydrophobicContact CG-CG 4.13Å; L89-A215 CarbonylContact C-O 3.44Å; L89-A215 WeakPolarHBondContact CA-O 3.47Å; L89-A215 HydrophobicContact CD1-CB 3.84Å; L89-V217 HydrophobicContact CD1-CG2 4.44Å; L89-L244 HydrophobicContact CB-CD1 3.99Å; L89-L244 HydrophobicContact CD1-CD1 4.25Å
90V98.6Very high94.8Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-107.4121175.1-176.30000109.3I63 L88 M92 I104 L108 L214 A215 V216 V217I63-V90 WeakPolarHBondContact O-CA 3.12Å; L88-V90 HydrophobicContact CD1-CG2 4.24Å; L88-V90 HydrophobicContact CD2-CG2 4.03Å; L88-V90 HydrophobicContact CG-CG2 3.86Å; V90-M92 HydrophobicContact CG1-CG 4.22Å; V90-I104 HydrophobicContact CG1-CG1 4Å; V90-L108 HydrophobicContact CG1-CD1 4.45Å; V90-L108 HydrophobicContact CG2-CD2 4.16Å; V90-L214 HydrophobicContact CG2-CD1 4.08Å; V90-A215 PolarHBondContact N-O 2.91Å; V90-V216 HydrophobicContact CB-CG1 4.47Å; V90-V216 HydrophobicContact CB-CG2 4.28Å; V90-V216 CarbonylContact O-C 3.59Å; V90-V216 VanDerWaalsContact O-CA 3.31Å; V90-V216 WeakPolarHBondContact O-CA 3.48Å; V90-V217 PolarHBondContact O-N 3.31Å
91L98.5Very high94.8Very high4 Ų430.5 Ų30.52%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-112.5123.3176.4-52.1177.3000108.9F30 V62 I63 G65 L89 V217 A220 F223F30-L91 HydrophobicContact CE1-CD1 4.47Å; F30-L91 HydrophobicContact CZ-CD1 3.97Å; V62-L91 HydrophobicContact CG1-CD1 4.44Å; I63-L91 PolarHBondContact O-N 3.03Å; G65-L91 PolarHBondContact N-O 3.01Å; L89-L91 HydrophobicContact CD1-CD2 3.81Å; L89-L91 HydrophobicContact CD2-CD1 4.5Å; L89-L91 HydrophobicContact CD2-CD2 4.15Å; L89-L91 HydrophobicContact CD2-CG 4.41Å; L89-L91 HydrophobicContact CG-CD2 3.87Å; L89-L91 HydrophobicContact CG-CG 4.13Å; L91-V217 WeakPolarHBondContact CA-O 3.41Å; L91-V217 HydrophobicContact CD2-CB 3.77Å; L91-V217 HydrophobicContact CD2-CG2 4.04Å; L91-A220 HydrophobicContact CB-CB 3.69Å; L91-F223 HydrophobicContact CD1-CD2 4.02Å; L91-F223 HydrophobicContact CD2-CD2 3.72Å; L91-F223 HydrophobicContact CD2-CE2 3.75Å
92M97.9Very high94.7Very high0 Ų030.9 Ų30.90%017%0.17CC..  trans-116.3-168.2177.3-72.2-66-72.200110.4P66 V90 Y100 T102 I104 V115 V217 G218 S219 A220P66-M92 HydrophobicContact CG-SD 4.46Å; V90-M92 HydrophobicContact CG1-CG 4.22Å; M92-Y100 HydrophobicContact CE-CD2 4.1Å; M92-Y100 HydrophobicContact CE-CG 4.09Å; M92-T102 HydrophobicContact CE-CG2 3.94Å; M92-I104 HydrophobicContact CE-CG2 4.02Å; M92-I104 HydrophobicContact SD-CG2 4.04Å; M92-V115 HydrophobicContact CB-CG1 3.95Å; M92-V115 HydrophobicContact CB-CG2 4.24Å; M92-V115 HydrophobicContact CG-CG1 4.38Å; M92-V115 HydrophobicContact CG-CG2 3.99Å; M92-V217 PolarHBondContact N-O 3.11Å; M92-G218 CarbonylContact C-O 3.52Å; M92-G218 CarbonylContact O-C 3.47Å; M92-S219 CarbonylContact O-C 3.6Å; M92-S219 VanDerWaalsContact O-C 3.31Å; M92-S219 VanDerWaalsContact O-CA 3.22Å; M92-S219 WeakPolarHBondContact O-CA 3.25Å; M92-S219 PolarHBondContact O-N 2.84Å; M92-A220 PolarHBondContact O-N 3.19Å
93G96.8Very high94.9Very high2 Ų232 Ų322%0.02118%0.175CC..  trans-149.5-172.7175.300000111.1G96 Y100 A175 G218G93-G96 PolarHBondContact O-N 2.8Å; G93-G96 VanDerWaalsContact O-N 3.12Å; G93-Y100 WeakPolarHBondContact CA-OH 3.48Å; G93-Y100 PolarHBondContact N-OH 3.03Å; G93-A175 WeakPolarHBondContact O-CB 3.33Å; G93-G218 VanDerWaalsContact CA-O 3.3Å; G93-G218 WeakPolarHBondContact CA-O 3.4Å
94E96.4Very high95.1Very high19 Ų1927.7 Ų27.79%0.08916%0.156CC..THydrogen-bonded Turntrans-47.6144.7175.961.9173.7175.400112.2G96 K99 T119 K132 Y173E94-G96 PolarHBondContact O-N 3.11Å; E94-G96 VanDerWaalsContact O-N 3.14Å; E94-K99 HydrophobicContact CG-CD 4.06Å; E94-K99 WeakPolarHBondContact O-CD 3.17Å; E94-K99 IonicContact OE1-NZ 3.19Å; E94-K99 PolarHBondContact OE1-NZ 2.89Å; E94-T119 HydrophobicContact CB-CG2 4.04Å; E94-K132 IonicContact OE1-NZ 2.76Å; E94-K132 VanDerWaalsContact OE2-CD 3.27Å; E94-K132 WeakPolarHBondContact OE2-CD 3.2Å; E94-K132 WeakPolarHBondContact OE2-CE 3.13Å; E94-K132 IonicContact OE2-NZ 3.15Å; E94-K132 PolarHBondContact OE2-NZ 2.59Å; E94-Y173 WeakPolarHBondContact CB-O 3.28Å; E94-Y173 PolarHBondContact N-O 2.83Å
95N95.8Very high95.4Very high59 Ų5924.5 Ų24.532%0.31614%0.136SC..THydrogen-bonded Turntrans61.310.1-177.5-58.3-34.6000115E97 T98 K99 S117 D118 T119N95-E97 PolarHBondContact O-N 3.43Å; N95-T98 WeakPolarHBondContact O-CB 3.22Å; N95-T98 PolarHBondContact O-N 3.36Å; N95-K99 HydrophobicContact CB-CB 3.66Å; N95-K99 HydrophobicContact CB-CD 4.49Å; N95-K99 PolarHBondContact O-N 2.76Å; N95-S117 PolarHBondContact O-OG 3.38Å; N95-D118 PolarHBondContact N-O 2.96Å; N95-T119 PolarHBondContact OD1-OG1 3.45Å
96G93.5Very high95.8Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans46.7-135168.300000113.6G93 E94 T98 K99 Y100 N116G93-G96 PolarHBondContact O-N 2.8Å; G93-G96 VanDerWaalsContact O-N 3.12Å; E94-G96 PolarHBondContact O-N 3.11Å; E94-G96 VanDerWaalsContact O-N 3.14Å; G96-T98 PolarHBondContact O-N 2.84Å; G96-K99 PolarHBondContact O-N 2.7Å; G96-Y100 VanDerWaalsContact O-CD2 3.23Å; G96-Y100 WeakPolarHBondContact O-CD2 3.38Å; G96-Y100 PolarHBondContact O-N 2.82Å; G96-N116 PolarHBondContact N-O 2.84Å
97E93.4Very high95.9Very high42 Ų4230.2 Ų30.220%0.19616%0.155CC..Hα-helixtrans-62.1-25.6-179.3-68-171.8138.100114.3N95 K99 T101 T102 N103 I104 N105N95-E97 PolarHBondContact O-N 3.43Å; E97-K99 PolarHBondContact O-N 3.26Å; E97-T101 WeakPolarHBondContact O-CA 3.43Å; E97-T101 PolarHBondContact O-N 3.49Å; E97-T102 HydrophobicContact CG-CG2 4.11Å; E97-N103 WeakPolarHBondContact OE1-CA 3.47Å; E97-I104 HydrophobicContact CG-CG2 4.28Å; E97-I104 PolarHBondContact OE1-N 3.49Å; E97-N105 WeakPolarHBondContact OE1-CB 3.48Å; E97-N105 PolarHBondContact OE1-N 3.04Å; E97-N105 WeakPolarHBondContact OE2-CB 3.45Å; E97-N105 PolarHBondContact OE2-ND2 3.34Å
98T91.9Very high96Very high106 Ų10630 Ų3065%0.6515%0.154SC*.Hα-helixtrans-66.4-38.9-178.8-56.60000111.6N95 G96 S117N95-T98 WeakPolarHBondContact O-CB 3.22Å; N95-T98 PolarHBondContact O-N 3.36Å; G96-T98 PolarHBondContact O-N 2.84Å; T98-S117 WeakPolarHBondContact OG1-CB 3.34Å; T98-S117 PolarHBondContact OG1-OG 3.2Å
99K94.3Very high96Very high110 Ų11035.1 Ų35.148%0.47818%0.178SC..Hα-helixtrans-83.4-38.2176.9177.4-178.7-175.7-172.70112.6E94 N95 G96 E97E94-K99 HydrophobicContact CG-CD 4.06Å; E94-K99 WeakPolarHBondContact O-CD 3.17Å; E94-K99 IonicContact OE1-NZ 3.19Å; E94-K99 PolarHBondContact OE1-NZ 2.89Å; N95-K99 HydrophobicContact CB-CB 3.66Å; N95-K99 HydrophobicContact CB-CD 4.49Å; N95-K99 PolarHBondContact O-N 2.76Å; G96-K99 PolarHBondContact O-N 2.7Å; E97-K99 PolarHBondContact O-N 3.26Å
100Y93.9Very high95.8Very high15 Ų1540 Ų406%0.05920%0.201CC..Hα-helixtrans-85.2-7.9-176.9-73.5-97.1000112.8A23 G65 P66 T67 M92 G93 G96 T102A23-Y100 HydrophobicContact CB-CD1 4.44Å; A23-Y100 HydrophobicContact CB-CE1 3.84Å; G65-Y100 WeakPolarHBondContact O-CD1 3Å; P66-Y100 WeakPolarHBondContact O-CB 3.23Å; T67-Y100 CarbonylContact C-O 3.57Å; T67-Y100 VanDerWaalsContact C-O 3.24Å; T67-Y100 WeakPolarHBondContact CA-O 3.4Å; T67-Y100 HydrophobicContact CG2-CD1 4.19Å; T67-Y100 VanDerWaalsContact O-O 3.05Å; M92-Y100 HydrophobicContact CE-CD2 4.1Å; M92-Y100 HydrophobicContact CE-CG 4.09Å; G93-Y100 WeakPolarHBondContact CA-OH 3.48Å; G93-Y100 PolarHBondContact N-OH 3.03Å; G96-Y100 VanDerWaalsContact O-CD2 3.23Å; G96-Y100 WeakPolarHBondContact O-CD2 3.38Å; G96-Y100 PolarHBondContact O-N 2.82Å; Y100-T102 PolarHBondContact O-N 3.16Å
101T93.1Very high95.7Very high91 Ų9140.4 Ų40.456%0.55820%0.203SC*.  trans52.625178.256.90000115T67 E97T67-T101 PolarHBondContact O-OG1 3.36Å; E97-T101 WeakPolarHBondContact O-CA 3.43Å; E97-T101 PolarHBondContact O-N 3.49Å
102T94.7Very high95.6Very high9 Ų940.9 Ų40.96%0.05521%0.208CC..  trans-100.2176.3178.6-166.10000110.9P66 E68 M92 E97 Y100 I104P66-T102 HydrophobicContact CG-CG2 4.14Å; P66-T102 VanDerWaalsContact O-CB 3.32Å; P66-T102 WeakPolarHBondContact O-CB 3.12Å; E68-T102 PolarHBondContact O-OG1 2.84Å; M92-T102 HydrophobicContact CE-CG2 3.94Å; E97-T102 HydrophobicContact CG-CG2 4.11Å; Y100-T102 PolarHBondContact O-N 3.16Å; T102-I104 HydrophobicContact CG2-CB 4.14Å; T102-I104 HydrophobicContact CG2-CG2 3.84Å
103N96.3Very high95.6Very high23 Ų2341 Ų4112%0.12321%0.209CC..  trans-127.428.318067.1-31.2000111.3K69 F70 F75 E97 N105 F106K69-N103 WeakPolarHBondContact CA-OD1 3.36Å; K69-N103 HydrophobicContact CG-CB 4.19Å; F70-N103 PolarHBondContact N-OD1 2.86Å; F70-N103 PolarHBondContact O-ND2 3.29Å; F75-N103 WeakPolarHBondContact CE2-ND2 3.09Å; F75-N103 VanDerWaalsContact CZ-O 3.24Å; F75-N103 WeakPolarHBondContact CZ-O 3.09Å; E97-N103 WeakPolarHBondContact OE1-CA 3.47Å; N103-N105 VanDerWaalsContact C-N 3.27Å; N103-N105 PolarHBondContact O-N 2.67Å; N103-F106 HydrophobicContact CB-CD2 3.74Å; N103-F106 HydrophobicContact CB-CE2 4.11Å; N103-F106 WeakPolarHBondContact O-CB 3.35Å; N103-F106 WeakPolarHBondContact O-CD2 3.47Å; N103-F106 PolarHBondContact O-N 3.06Å
104I96.9Very high95.7Very high0 Ų043.3 Ų43.30%022%0.22CC..THydrogen-bonded Turntrans-61-29.3-176.1-164.558.7000113.6F70 F75 V90 M92 E97 T102 F106 L107 L108F70-I104 HydrophobicContact CD2-CD1 4.4Å; F70-I104 HydrophobicContact CE2-CD1 3.94Å; F70-I104 HydrophobicContact CZ-CD1 4.37Å; F75-I104 HydrophobicContact CE1-CD1 4.31Å; V90-I104 HydrophobicContact CG1-CG1 4Å; M92-I104 HydrophobicContact CE-CG2 4.02Å; M92-I104 HydrophobicContact SD-CG2 4.04Å; E97-I104 HydrophobicContact CG-CG2 4.28Å; E97-I104 PolarHBondContact OE1-N 3.49Å; T102-I104 HydrophobicContact CG2-CB 4.14Å; T102-I104 HydrophobicContact CG2-CG2 3.84Å; I104-F106 PolarHBondContact O-N 3.45Å; I104-L107 HydrophobicContact CD1-CD2 4.19Å; I104-L107 WeakPolarHBondContact O-CB 3.46Å; I104-L107 PolarHBondContact O-N 3.42Å; I104-L108 HydrophobicContact CG1-CD1 4.21Å; I104-L108 HydrophobicContact CG1-CG 4.21Å; I104-L108 HydrophobicContact CG2-CD1 4.4Å; I104-L108 WeakPolarHBondContact O-CG 3.23Å; I104-L108 PolarHBondContact O-N 3.21Å; I104-L108 VanDerWaalsContact O-N 3.11Å
105N97.8Very high95.7Very high7 Ų742.4 Ų42.44%0.03722%0.216CC..Hα-helixtrans-60.9-30.4177.8-76.6-26.7000111.6E97 N103 L107 L108 E109 M114 V115E97-N105 WeakPolarHBondContact OE1-CB 3.48Å; E97-N105 PolarHBondContact OE1-N 3.04Å; E97-N105 WeakPolarHBondContact OE2-CB 3.45Å; E97-N105 PolarHBondContact OE2-ND2 3.34Å; N103-N105 VanDerWaalsContact C-N 3.27Å; N103-N105 PolarHBondContact O-N 2.67Å; N105-L107 PolarHBondContact O-N 3.39Å; N105-L107 VanDerWaalsContact O-N 3.14Å; N105-L108 PolarHBondContact O-N 3.2Å; N105-L108 VanDerWaalsContact O-N 3.13Å; N105-E109 HydrophobicContact CB-CG 4.45Å; N105-E109 VanDerWaalsContact O-CB 3.27Å; N105-E109 WeakPolarHBondContact O-CB 3.15Å; N105-E109 VanDerWaalsContact O-CG 3.25Å; N105-E109 WeakPolarHBondContact O-CG 3.33Å; N105-E109 PolarHBondContact O-N 2.85Å; N105-M114 HydrophobicContact CB-CG 4.29Å; N105-V115 PolarHBondContact ND2-O 3.32Å; N105-V115 PolarHBondContact OD1-N 3.19Å
106F96.5Very high95.8Very high137 Ų13740.2 Ų40.260%0.60120%0.204SC*.Hα-helixtrans-57.4-30.1173.1-78-86.1000113.5F75 N103 I104 Q110F75-F106 HydrophobicContact CE2-CB 4.08Å; F75-F106 HydrophobicContact CZ-CB 4.47Å; N103-F106 HydrophobicContact CB-CD2 3.74Å; N103-F106 HydrophobicContact CB-CE2 4.11Å; N103-F106 WeakPolarHBondContact O-CB 3.35Å; N103-F106 WeakPolarHBondContact O-CD2 3.47Å; N103-F106 PolarHBondContact O-N 3.06Å; I104-F106 PolarHBondContact O-N 3.45Å; F106-Q110 PolarHBondContact O-NE2 3.15Å
107L96.5Very high95.8Very high1 Ų143.3 Ų43.31%0.00523%0.226CC..Hα-helixtrans-82.6-49.5172.7178.169.1000110.7F75 I78 L88 I104 N105 E109 Q110 F111F75-L107 HydrophobicContact CD1-CB 3.82Å; F75-L107 HydrophobicContact CD1-CD1 4.36Å; F75-L107 HydrophobicContact CD1-CD2 4.17Å; F75-L107 HydrophobicContact CD1-CG 4.34Å; F75-L107 HydrophobicContact CE1-CB 3.74Å; F75-L107 HydrophobicContact CE1-CD2 4.37Å; F75-L107 HydrophobicContact CZ-CB 4.36Å; I78-L107 HydrophobicContact CB-CD2 4.42Å; I78-L107 HydrophobicContact CD1-CD2 4.44Å; I78-L107 HydrophobicContact CG2-CD2 3.72Å; L88-L107 HydrophobicContact CD2-CD2 4.21Å; I104-L107 HydrophobicContact CD1-CD2 4.19Å; I104-L107 WeakPolarHBondContact O-CB 3.46Å; I104-L107 PolarHBondContact O-N 3.42Å; N105-L107 PolarHBondContact O-N 3.39Å; N105-L107 VanDerWaalsContact O-N 3.14Å; L107-E109 PolarHBondContact O-N 2.95Å; L107-Q110 WeakPolarHBondContact O-CB 3.46Å; L107-Q110 PolarHBondContact O-N 2.95Å; L107-F111 HydrophobicContact CD1-CE2 3.87Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 WeakPolarHBondContact O-CD2 3.46Å; L107-F111 WeakPolarHBondContact O-CE2 3.46Å
108L97.9Very high95.9Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-66.2-36.8-172.1-60.3-178.2000113V90 I104 N105 Q110 F111 G112 I113 V115 L214 V216V90-L108 HydrophobicContact CG1-CD1 4.45Å; V90-L108 HydrophobicContact CG2-CD2 4.16Å; I104-L108 HydrophobicContact CG1-CD1 4.21Å; I104-L108 HydrophobicContact CG1-CG 4.21Å; I104-L108 HydrophobicContact CG2-CD1 4.4Å; I104-L108 WeakPolarHBondContact O-CG 3.23Å; I104-L108 PolarHBondContact O-N 3.21Å; I104-L108 VanDerWaalsContact O-N 3.11Å; N105-L108 PolarHBondContact O-N 3.2Å; N105-L108 VanDerWaalsContact O-N 3.13Å; L108-Q110 PolarHBondContact O-N 2.94Å; L108-F111 CarbonylContact O-C 3.57Å; L108-F111 WeakPolarHBondContact O-CA 3.4Å; L108-F111 WeakPolarHBondContact O-CB 3.22Å; L108-F111 PolarHBondContact O-N 2.95Å; L108-G112 PolarHBondContact O-N 2.9Å; L108-I113 CarbonylContact C-O 3.49Å; L108-I113 HydrophobicContact CB-CB 4.29Å; L108-I113 WeakPolarHBondContact CB-O 3.48Å; L108-I113 PolarHBondContact O-N 2.84Å; L108-I113 VanDerWaalsContact O-O 3.07Å; L108-V115 HydrophobicContact CD1-CG2 4.01Å; L108-L214 HydrophobicContact CD2-CD1 4.22Å; L108-L214 HydrophobicContact CD2-CD2 4.03Å; L108-V216 HydrophobicContact CD1-CG1 4.01Å; L108-V216 HydrophobicContact CD1-CG2 4.11Å; L108-V216 HydrophobicContact CD2-CG2 3.64Å; L108-V216 HydrophobicContact CG-CG2 4.45Å
109E97Very high96.1Very high106 Ų10638.2 Ų38.250%0.49520%0.197SC..G310 helixtrans-62.8-30.5-178.3-76.5174.7-164.200111.9N105 L107 F111 G112 I113 M114N105-E109 HydrophobicContact CB-CG 4.45Å; N105-E109 VanDerWaalsContact O-CB 3.27Å; N105-E109 WeakPolarHBondContact O-CB 3.15Å; N105-E109 VanDerWaalsContact O-CG 3.25Å; N105-E109 WeakPolarHBondContact O-CG 3.33Å; N105-E109 PolarHBondContact O-N 2.85Å; L107-E109 PolarHBondContact O-N 2.95Å; E109-F111 PolarHBondContact O-N 2.91Å; E109-G112 PolarHBondContact O-N 3.42Å; E109-I113 WeakPolarHBondContact CA-O 3.41Å; E109-I113 PolarHBondContact N-O 3.13Å; E109-M114 HydrophobicContact CG-CB 4.09Å; E109-M114 HydrophobicContact CG-CG 4.21Å
110Q94.6Very high96.2Very high110 Ų11033 Ų3351%0.51417%0.174SC..G310 helixtrans-62.4-23.3174.3-63.7178.346.900112.5F106 L107 L108F106-Q110 PolarHBondContact O-NE2 3.15Å; L107-Q110 WeakPolarHBondContact O-CB 3.46Å; L107-Q110 PolarHBondContact O-N 2.95Å; L108-Q110 PolarHBondContact O-N 2.94Å
111F96.1Very high96.2Very high8 Ų835.2 Ų35.24%0.03519%0.187CC..G310 helixtrans-101.63.6176.9-54.6-66.1000112.3L82 L107 L108 E109 A183 Y204 F206 L214L82-F111 HydrophobicContact CD1-CE1 4.48Å; L82-F111 HydrophobicContact CD1-CE2 3.91Å; L82-F111 HydrophobicContact CD1-CZ 3.74Å; L107-F111 HydrophobicContact CD1-CE2 3.87Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 WeakPolarHBondContact O-CD2 3.46Å; L107-F111 WeakPolarHBondContact O-CE2 3.46Å; L108-F111 CarbonylContact O-C 3.57Å; L108-F111 WeakPolarHBondContact O-CA 3.4Å; L108-F111 WeakPolarHBondContact O-CB 3.22Å; L108-F111 PolarHBondContact O-N 2.95Å; E109-F111 PolarHBondContact O-N 2.91Å; F111-A183 WeakPolarHBondContact O-CB 3.3Å; F111-A183 PolarHBondContact O-N 3.42Å; F111-Y204 HydrophobicContact CB-CD1 4.03Å; F111-Y204 HydrophobicContact CB-CD2 4.5Å; F111-Y204 HydrophobicContact CB-CG 3.97Å; F111-Y204 AromaticContact CD1-CD1 3.47Å; F111-Y204 HydrophobicContact CD1-CD1 3.47Å; F111-Y204 VanDerWaalsContact CD1-CD1 3.47Å; F111-Y204 AromaticContact CD1-CE1 3.32Å; F111-Y204 HydrophobicContact CD1-CE1 3.32Å; F111-Y204 HydrophobicContact CD1-CG 4.2Å; F111-Y204 AromaticContact CD1-CZ 3.98Å; F111-Y204 HydrophobicContact CE1-CD1 4.22Å; F111-Y204 AromaticContact CE1-CE1 3.83Å; F111-Y204 HydrophobicContact CE1-CE1 3.83Å; F111-Y204 AromaticContact CG-CD1 3.97Å; F111-Y204 HydrophobicContact CG-CD1 3.97Å; F111-Y204 HydrophobicContact CG-CE1 4.26Å; F111-Y204 HydrophobicContact CG-CG 4.42Å; F111-F206 HydrophobicContact CD1-CE2 4.4Å; F111-F206 AromaticContact CE1-CE2 3.62Å; F111-F206 HydrophobicContact CE1-CE2 3.62Å; F111-F206 AromaticContact CE1-CZ 3.56Å; F111-F206 HydrophobicContact CE1-CZ 3.56Å; F111-F206 HydrophobicContact CZ-CE2 4.21Å; F111-F206 HydrophobicContact CZ-CZ 4.18Å; F111-L214 HydrophobicContact CB-CD2 3.92Å; F111-L214 HydrophobicContact CD2-CD2 3.63Å; F111-L214 HydrophobicContact CE2-CD2 4.41Å; F111-L214 HydrophobicContact CG-CD2 3.9Å
112G96.5Very high96.2Very high14 Ų1432.5 Ų32.514%0.14417%0.166CC..THydrogen-bonded Turntrans81.122.4-179.500000114.3L108 E109 V179 A180L108-G112 PolarHBondContact O-N 2.9Å; E109-G112 PolarHBondContact O-N 3.42Å; G112-V179 CarbonylContact O-C 3.59Å; G112-V179 VanDerWaalsContact O-CA 3.31Å; G112-V179 WeakPolarHBondContact O-CA 3.45Å; G112-A180 PolarHBondContact O-N 3.04Å
113I98.5Very high95.9Very high1 Ų136.6 Ų36.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-120.8137.2177.4-54.5170.5000109.4L108 E109 L177 N178 A183 A202 L214 V216L108-I113 CarbonylContact C-O 3.49Å; L108-I113 HydrophobicContact CB-CB 4.29Å; L108-I113 WeakPolarHBondContact CB-O 3.48Å; L108-I113 PolarHBondContact O-N 2.84Å; L108-I113 VanDerWaalsContact O-O 3.07Å; E109-I113 WeakPolarHBondContact CA-O 3.41Å; E109-I113 PolarHBondContact N-O 3.13Å; I113-L177 HydrophobicContact CG2-CD1 4.5Å; I113-N178 CarbonylContact C-O 3.57Å; I113-N178 WeakPolarHBondContact CA-O 3.09Å; I113-A183 HydrophobicContact CD1-CB 3.91Å; I113-A183 HydrophobicContact CG1-CB 3.44Å; I113-A183 VanDerWaalsContact CG1-CB 3.44Å; I113-A202 HydrophobicContact CD1-CB 3.82Å; I113-A202 HydrophobicContact CG1-CB 3.96Å; I113-A202 HydrophobicContact CG2-CB 4.11Å; I113-L214 HydrophobicContact CD1-CD2 4.21Å; I113-L214 HydrophobicContact CD1-CG 4.48Å; I113-V216 HydrophobicContact CB-CG2 4.43Å; I113-V216 HydrophobicContact CD1-CB 4.41Å; I113-V216 HydrophobicContact CD1-CG2 3.81Å; I113-V216 HydrophobicContact CG2-CB 3.92Å; I113-V216 HydrophobicContact CG2-CG1 4.1Å; I113-V216 HydrophobicContact CG2-CG2 3.88Å
114M97.7Very high95.5Very high51 Ų5138.3 Ų38.325%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-141.1138.9173-174.8-169.881.400109.8N105 E109 N116 L177 N178N105-M114 HydrophobicContact CB-CG 4.29Å; E109-M114 HydrophobicContact CG-CB 4.09Å; E109-M114 HydrophobicContact CG-CG 4.21Å; M114-N116 WeakPolarHBondContact CE-OD1 3.38Å; M114-L177 CarbonylContact O-C 3.59Å; M114-L177 VanDerWaalsContact O-CA 3.24Å; M114-L177 WeakPolarHBondContact O-CA 3.38Å; M114-N178 HydrophobicContact CB-CB 4.29Å; M114-N178 HydrophobicContact CE-CB 4.14Å; M114-N178 WeakPolarHBondContact CE-ND2 3.31Å; M114-N178 PolarHBondContact N-O 2.8Å; M114-N178 PolarHBondContact O-N 2.83Å
115V97.9Very high94.9Very high1 Ų145.6 Ų45.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-92.9121.8176.7-176.90000108.6M92 N105 L108 A175 L177 V216M92-V115 HydrophobicContact CB-CG1 3.95Å; M92-V115 HydrophobicContact CB-CG2 4.24Å; M92-V115 HydrophobicContact CG-CG1 4.38Å; M92-V115 HydrophobicContact CG-CG2 3.99Å; N105-V115 PolarHBondContact ND2-O 3.32Å; N105-V115 PolarHBondContact OD1-N 3.19Å; L108-V115 HydrophobicContact CD1-CG2 4.01Å; V115-A175 HydrophobicContact CG1-CB 4.01Å; V115-L177 HydrophobicContact CB-CD2 4.07Å; V115-L177 HydrophobicContact CG1-CD2 4.16Å; V115-L177 HydrophobicContact CG2-CD2 3.62Å; V115-V216 HydrophobicContact CG2-CG1 4.03Å
116N96.7Very high94.4Very high12 Ų1250.1 Ų50.16%0.06425%0.253CS..  trans-74.8155.8-178.4-67.2-39000111.6G96 M114 D118 A175 S176 N178 Y264G96-N116 PolarHBondContact N-O 2.84Å; M114-N116 WeakPolarHBondContact CE-OD1 3.38Å; N116-D118 PolarHBondContact O-N 2.78Å; N116-A175 WeakPolarHBondContact O-CB 3.45Å; N116-S176 WeakPolarHBondContact CB-O 3.35Å; N116-S176 PolarHBondContact N-O 2.94Å; N116-S176 PolarHBondContact ND2-OG 2.84Å; N116-N178 PolarHBondContact ND2-OD1 2.77Å; N116-N178 PolarHBondContact OD1-ND2 3.2Å; N116-N178 PolarHBondContact OD1-OD1 3.3Å; N116-Y264 HydrophobicContact CB-CE2 4.47Å
117S94.7Very high94.1Very high66 Ų6649.3 Ų49.346%0.46225%0.249SC..SBendtrans-9054.2173.3-65.70000111.2N95 T98N95-S117 PolarHBondContact O-OG 3.38Å; T98-S117 WeakPolarHBondContact OG1-CB 3.34Å; T98-S117 PolarHBondContact OG1-OG 3.2Å
118D94.7Very high94Very high17 Ų1750.8 Ų50.89%0.09126%0.255CS..  trans-129.4-174.7-178.768.17.7000112.2N95 N116 A175 S176 Y264N95-D118 PolarHBondContact N-O 2.96Å; N116-D118 PolarHBondContact O-N 2.78Å; D118-A175 WeakPolarHBondContact OD1-CA 3.15Å; D118-S176 PolarHBondContact OD1-N 3.26Å; D118-S176 PolarHBondContact OD1-OG 2.96Å; D118-S176 PolarHBondContact OD2-OG 3.18Å; D118-Y264 WeakPolarHBondContact CB-OH 3.06Å; D118-Y264 VanDerWaalsContact OD2-CE2 3.24Å; D118-Y264 WeakPolarHBondContact OD2-CE2 3.25Å; D118-Y264 PolarHBondContact OD2-OH 2.93Å
119T95.6Very high93.5Very high24 Ų2460.1 Ų60.115%0.14729%0.292CS..  trans-136.7130.9176.1-560000109.6E94 N95 L121 K132E94-T119 HydrophobicContact CB-CG2 4.04Å; N95-T119 PolarHBondContact OD1-OG1 3.45Å; T119-L121 HydrophobicContact CG2-CD2 4.13Å; T119-L121 HydrophobicContact CG2-CG 4.38Å; T119-K132 HydrophobicContact CG2-CD 3.83Å; T119-K132 HydrophobicContact CG2-CG 3.83Å
120V96.5Very high93.4Very high0 Ų058.8 Ų58.80%029%0.285CS..  trans-75.8125.3171.6178.90000109.4A134 Y171 G174 T189 A193 F194 V200V120-A134 HydrophobicContact CG1-CB 4.06Å; V120-Y171 HydrophobicContact CB-CD1 4.01Å; V120-Y171 HydrophobicContact CB-CE1 4.14Å; V120-Y171 HydrophobicContact CG1-CD1 4.14Å; V120-Y171 HydrophobicContact CG2-CD1 4.14Å; V120-Y171 HydrophobicContact CG2-CE1 3.82Å; V120-G174 PolarHBondContact N-O 2.89Å; V120-T189 HydrophobicContact CB-CG2 4.34Å; V120-T189 HydrophobicContact CG1-CG2 3.65Å; V120-T189 HydrophobicContact CG2-CG2 3.66Å; V120-A193 HydrophobicContact CG1-CB 3.85Å; V120-F194 CarbonylContact C-O 3.33Å; V120-F194 WeakPolarHBondContact CA-O 3.27Å; V120-V200 HydrophobicContact CG2-CG1 4.33Å
121L94.9Very high93.4Very high62 Ų6256.7 Ų56.733%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-126.3136.6-179.8-64.2172.3000109.7T119 T123 P131 K132 A193 F194T119-L121 HydrophobicContact CG2-CD2 4.13Å; T119-L121 HydrophobicContact CG2-CG 4.38Å; L121-T123 PolarHBondContact O-N 3.28Å; L121-P131 WeakPolarHBondContact CA-O 3.44Å; L121-P131 HydrophobicContact CD2-CB 4.22Å; L121-P131 HydrophobicContact CD2-CG 4.45Å; L121-K132 HydrophobicContact CD2-CB 4.3Å; L121-K132 HydrophobicContact CD2-CD 4.49Å; L121-K132 HydrophobicContact CD2-CG 3.38Å; L121-A193 CarbonylContact O-C 3.48Å; L121-A193 VanDerWaalsContact O-CA 3.27Å; L121-A193 WeakPolarHBondContact O-CA 3.43Å; L121-F194 PolarHBondContact N-O 3.06Å; L121-F194 PolarHBondContact O-N 2.92Å
122R93Very high93.4Very high33 Ų3359 Ų5913%0.12529%0.292CS..EExtended strand (participates in β ladder)trans-76127.1168.8-161.3178.6164.3110.11.8109.6S124 F126 P131 A134 L135 V192R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 WeakPolarHBondContact CD-O 3.16Å; R122-S124 VanDerWaalsContact CG-O 3.28Å; R122-S124 WeakPolarHBondContact CG-O 3.47Å; R122-S124 PolarHBondContact NE-O 2.56Å; R122-S124 PolarHBondContact O-N 3.31Å; R122-F126 VanDerWaalsContact CZ-CB 3.48Å; R122-F126 VanDerWaalsContact NH2-CB 3.31Å; R122-P131 PolarHBondContact N-O 2.97Å; R122-A134 HydrophobicContact CB-CB 4.11Å; R122-L135 PolarHBondContact NH1-O 2.79Å; R122-V192 WeakPolarHBondContact CG-O 3.3Å
123T87.3Confident93.4Very high96 Ų9659.9 Ų59.959%0.58929%0.292SS*.SBendtrans-76-20.6-175.855.70000113L121 V192 F194L121-T123 PolarHBondContact O-N 3.28Å; T123-V192 PolarHBondContact N-O 2.9Å; T123-V192 PolarHBondContact OG1-O 3.25Å; T123-F194 HydrophobicContact CG2-CB 3.72Å
124S87.5Confident93.2Very high59 Ų5959.8 Ų59.841%0.41329%0.291SS..SBendtrans-129.3138.1178.555.20000111.2R122 F126R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 WeakPolarHBondContact CD-O 3.16Å; R122-S124 VanDerWaalsContact CG-O 3.28Å; R122-S124 WeakPolarHBondContact CG-O 3.47Å; R122-S124 PolarHBondContact NE-O 2.56Å; R122-S124 PolarHBondContact O-N 3.31Å; S124-F126 PolarHBondContact O-N 2.66Å
125Y85.5Confident93.2Very high152 Ų15257.4 Ų57.460%0.59628%0.279SS*.  trans-61.2130.4176.1170-97.2000111.2Y128 Y129Y125-Y128 WeakPolarHBondContact CE2-O 3.44Å; Y125-Y129 AromaticContact CE2-CD1 3.94Å; Y125-Y129 HydrophobicContact CE2-CD1 3.94Å; Y125-Y129 HydrophobicContact CE2-CE1 4.3Å; Y125-Y129 HydrophobicContact CE2-CG 4.43Å
126F87.2Confident93.1Very high103 Ų10357.3 Ų57.345%0.45228%0.279SS..  trans-162.8120.5173.4-174.1-109.6000111.4R122 S124 Y128 L135R122-F126 VanDerWaalsContact CZ-CB 3.48Å; R122-F126 VanDerWaalsContact NH2-CB 3.31Å; S124-F126 PolarHBondContact O-N 2.66Å; F126-Y128 PolarHBondContact O-N 2.66Å; F126-L135 HydrophobicContact CD1-CD2 3.62Å; F126-L135 HydrophobicContact CE1-CD2 3.65Å
127K91Very high93Very high119 Ų11958.4 Ų58.452%0.51729%0.287SS..SBendtrans61.2-38.6176.7-166.3176.4-178.5-178.10116.7L135 E231K127-L135 HydrophobicContact CB-CD2 4.26Å; K127-L135 HydrophobicContact CD-CD2 4.1Å; K127-E231 VanDerWaalsContact CE-OE1 3.25Å; K127-E231 WeakPolarHBondContact CE-OE1 3.36Å; K127-E231 VanDerWaalsContact NZ-CD 3.35Å; K127-E231 IonicContact NZ-OE1 3.81Å; K127-E231 PolarHBondContact NZ-OE1 2.92Å; K127-E231 IonicContact NZ-OE2 3.81Å; K127-E231 PolarHBondContact NZ-OE2 2.91Å
128Y92.8Very high92.9Very high32 Ų3256.6 Ų56.613%0.12527%0.272CS..  trans-111.8138.1-179.5-61.8-81.4000110.7Y125 F126 E133 L135 L170 K230 E231Y125-Y128 WeakPolarHBondContact CE2-O 3.44Å; F126-Y128 PolarHBondContact O-N 2.66Å; Y128-E133 HydrophobicContact CG-CB 4.45Å; Y128-L135 HydrophobicContact CD2-CB 4Å; Y128-L135 HydrophobicContact CD2-CD2 4.3Å; Y128-L135 HydrophobicContact CE2-CB 4.18Å; Y128-L135 HydrophobicContact CE2-CD1 4.33Å; Y128-L135 HydrophobicContact CE2-CD2 3.99Å; Y128-L135 HydrophobicContact CE2-CG 4.41Å; Y128-L170 HydrophobicContact CD1-CD1 4.41Å; Y128-L170 HydrophobicContact CD1-CD2 4.04Å; Y128-L170 HydrophobicContact CD2-CD1 3.67Å; Y128-L170 HydrophobicContact CD2-CD2 4.48Å; Y128-L170 HydrophobicContact CE1-CD1 4.48Å; Y128-L170 HydrophobicContact CE1-CD2 3.59Å; Y128-L170 HydrophobicContact CE2-CD1 3.73Å; Y128-L170 HydrophobicContact CE2-CD2 4.05Å; Y128-L170 HydrophobicContact CE2-CG 4.41Å; Y128-L170 HydrophobicContact CG-CD1 4.03Å; Y128-L170 HydrophobicContact CG-CD2 4.48Å; Y128-K230 HydrophobicContact CE1-CD 3.95Å; Y128-E231 WeakPolarHBondContact CE2-OE1 3.45Å; Y128-E231 PolarHBondContact OH-OE1 3.09Å
129Y88.7Confident92.9Very high196 Ų19655.8 Ų55.877%0.76927%0.268SS*.SBendtrans-78.8-33.9-173.5-72.5-79.9000113.5Y125Y125-Y129 AromaticContact CE2-CD1 3.94Å; Y125-Y129 HydrophobicContact CE2-CD1 3.94Å; Y125-Y129 HydrophobicContact CE2-CE1 4.3Å; Y125-Y129 HydrophobicContact CE2-CG 4.43Å
130H93.8Very high92.9Very high78 Ų7854.7 Ų54.736%0.36126%0.261SS..SBendtrans-89.5126.9-176.7-165.4-76.2000110.1K132 E133 Y173H130-K132 WeakPolarHBondContact ND1-CB 3.49Å; H130-K132 PolarHBondContact ND1-N 2.67Å; H130-K132 VanDerWaalsContact ND1-N 3.18Å; H130-K132 PolarHBondContact O-N 3.11Å; H130-K132 VanDerWaalsContact O-N 3.17Å; H130-E133 HydrophobicContact CB-CB 4.48Å; H130-E133 HydrophobicContact CB-CG 4.09Å; H130-E133 WeakPolarHBondContact O-CA 3.48Å; H130-E133 WeakPolarHBondContact O-CB 3.47Å; H130-E133 PolarHBondContact O-N 3.27Å; H130-Y173 AromaticContact CE1-CE1 3.86Å
131P93.8Very high92.8Very high67 Ų6755 Ų5544%0.43526%0.263SS..THydrogen-bonded Turntrans-65.1-24.8-174.425.1-34.9000113.7L121 R122 E133L121-P131 WeakPolarHBondContact CA-O 3.44Å; L121-P131 HydrophobicContact CD2-CB 4.22Å; L121-P131 HydrophobicContact CD2-CG 4.45Å; R122-P131 PolarHBondContact N-O 2.97Å; P131-E133 VanDerWaalsContact C-N 3.27Å
132K96.4Very high92.7Very high57 Ų5752.1 Ų52.125%0.24825%0.247CC..THydrogen-bonded Turntrans-74.6-12.1171.6-58.2-177.4-177-169.80113.9E94 T119 L121 H130 A134 P172 Y173E94-K132 IonicContact OE1-NZ 2.76Å; E94-K132 VanDerWaalsContact OE2-CD 3.27Å; E94-K132 WeakPolarHBondContact OE2-CD 3.2Å; E94-K132 WeakPolarHBondContact OE2-CE 3.13Å; E94-K132 IonicContact OE2-NZ 3.15Å; E94-K132 PolarHBondContact OE2-NZ 2.59Å; T119-K132 HydrophobicContact CG2-CD 3.83Å; T119-K132 HydrophobicContact CG2-CG 3.83Å; L121-K132 HydrophobicContact CD2-CB 4.3Å; L121-K132 HydrophobicContact CD2-CD 4.49Å; L121-K132 HydrophobicContact CD2-CG 3.38Å; H130-K132 WeakPolarHBondContact ND1-CB 3.49Å; H130-K132 PolarHBondContact ND1-N 2.67Å; H130-K132 VanDerWaalsContact ND1-N 3.18Å; H130-K132 PolarHBondContact O-N 3.11Å; H130-K132 VanDerWaalsContact O-N 3.17Å; K132-A134 PolarHBondContact O-N 3.14Å; K132-P172 CarbonylContact O-C 2.89Å; K132-P172 WeakPolarHBondContact O-CA 3.45Å; K132-Y173 HydrophobicContact CB-CD1 3.73Å; K132-Y173 HydrophobicContact CB-CE1 3.88Å; K132-Y173 HydrophobicContact CB-CG 4.4Å; K132-Y173 HydrophobicContact CD-CD1 3.65Å; K132-Y173 HydrophobicContact CD-CE1 3.95Å; K132-Y173 HydrophobicContact CG-CD1 4.33Å; K132-Y173 PolarHBondContact O-N 2.87Å
133E96.3Very high92.6Very high31 Ų3152.5 Ų52.515%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-8765.9168.2-66-172.5164.300108.4Y128 H130 P131 L135 L170 P172 Y173 Y227Y128-E133 HydrophobicContact CG-CB 4.45Å; H130-E133 HydrophobicContact CB-CB 4.48Å; H130-E133 HydrophobicContact CB-CG 4.09Å; H130-E133 WeakPolarHBondContact O-CA 3.48Å; H130-E133 WeakPolarHBondContact O-CB 3.47Å; H130-E133 PolarHBondContact O-N 3.27Å; P131-E133 VanDerWaalsContact C-N 3.27Å; E133-L135 PolarHBondContact O-N 2.9Å; E133-L135 VanDerWaalsContact O-N 3.15Å; E133-L170 HydrophobicContact CB-CD1 4.14Å; E133-L170 VanDerWaalsContact O-CD1 3.29Å; E133-L170 WeakPolarHBondContact O-CD1 3.16Å; E133-P172 HydrophobicContact CG-CB 4.33Å; E133-Y173 HydrophobicContact CG-CE2 4.37Å; E133-Y227 HydrophobicContact CG-CE1 4.16Å; E133-Y227 WeakPolarHBondContact OE1-CE1 3.27Å; E133-Y227 PolarHBondContact OE1-OH 3.5Å
134A96.1Very high92.7Very high0 Ų048 Ų480%022%0.221CC..EExtended strand (participates in β ladder)trans-75.4107.4-170.900000110.8V120 R122 K132 Y171 A193V120-A134 HydrophobicContact CG1-CB 4.06Å; R122-A134 HydrophobicContact CB-CB 4.11Å; K132-A134 PolarHBondContact O-N 3.14Å; A134-Y171 PolarHBondContact N-O 3.45Å; A134-Y171 PolarHBondContact O-N 3.39Å; A134-A193 HydrophobicContact CB-CB 4.39Å
135L97.1Very high92.9Very high0 Ų045.3 Ų45.30%020%0.202CC..EExtended strand (participates in β ladder)trans-72.2125.9168.8-178.854.8000109.2R122 F126 K127 Y128 E133 Q168 F169 L170 E231R122-L135 PolarHBondContact NH1-O 2.79Å; F126-L135 HydrophobicContact CD1-CD2 3.62Å; F126-L135 HydrophobicContact CE1-CD2 3.65Å; K127-L135 HydrophobicContact CB-CD2 4.26Å; K127-L135 HydrophobicContact CD-CD2 4.1Å; Y128-L135 HydrophobicContact CD2-CB 4Å; Y128-L135 HydrophobicContact CD2-CD2 4.3Å; Y128-L135 HydrophobicContact CE2-CB 4.18Å; Y128-L135 HydrophobicContact CE2-CD1 4.33Å; Y128-L135 HydrophobicContact CE2-CD2 3.99Å; Y128-L135 HydrophobicContact CE2-CG 4.41Å; E133-L135 PolarHBondContact O-N 2.9Å; E133-L135 VanDerWaalsContact O-N 3.15Å; L135-Q168 HydrophobicContact CD1-CG 3.46Å; L135-Q168 VanDerWaalsContact CD1-CG 3.46Å; L135-Q168 HydrophobicContact CG-CG 4.16Å; L135-F169 WeakPolarHBondContact CD1-O 3.07Å; L135-L170 HydrophobicContact CB-CD1 4.24Å; L135-E231 HydrophobicContact CD1-CG 3.61Å
136I96.3Very high93Very high0 Ų038.2 Ų38.20%018%0.175CC..EExtended strand (participates in β ladder)trans-117.9110.2-178.8-62.2165.4000108.2Q168 F169 Y171I136-Q168 WeakPolarHBondContact O-CA 3.4Å; I136-F169 HydrophobicContact CB-CD1 4.48Å; I136-F169 HydrophobicContact CB-CD2 4.41Å; I136-F169 HydrophobicContact CB-CE1 4.1Å; I136-F169 HydrophobicContact CB-CE2 4.03Å; I136-F169 HydrophobicContact CB-CZ 3.86Å; I136-F169 HydrophobicContact CD1-CD2 4.4Å; I136-F169 HydrophobicContact CD1-CE2 3.55Å; I136-F169 HydrophobicContact CD1-CZ 3.8Å; I136-F169 HydrophobicContact CG1-CE2 4.34Å; I136-F169 HydrophobicContact CG1-CZ 4.45Å; I136-F169 HydrophobicContact CG2-CE1 3.91Å; I136-F169 HydrophobicContact CG2-CE2 4.46Å; I136-F169 HydrophobicContact CG2-CZ 3.8Å; I136-F169 PolarHBondContact N-O 3.29Å; I136-F169 PolarHBondContact O-N 2.82Å; I136-Y171 HydrophobicContact CD1-CG 4.14Å
137P93.9Very high93Very high35 Ų3538.1 Ų38.123%0.22718%0.176CC..SBendtrans-89.2-17.4-177.734.7-34.3000113.9Q165 Q168 V192P137-Q165 WeakPolarHBondContact O-CA 3.24Å; P137-Q168 HydrophobicContact CB-CG 4.42Å; P137-V192 VanDerWaalsContact CD-CG2 3.44Å; P137-V192 HydrophobicContact CG-CG1 4.35Å; P137-V192 HydrophobicContact CG-CG2 4.19Å
138N93.1Very high92.8Very high27 Ų2734.1 Ų34.114%0.14416%0.162CC..SBendtrans-138.544.6-170.963.3-33.3000112.4K164 Q165 S191N138-K164 CarbonylContact C-O 3.31Å; N138-K164 VanDerWaalsContact C-O 3.31Å; N138-K164 WeakPolarHBondContact CA-O 3.5Å; N138-K164 HydrophobicContact CB-CB 4.48Å; N138-Q165 HydrophobicContact CB-CG 3.91Å; N138-S191 PolarHBondContact ND2-OG 3.24Å; N138-S191 PolarHBondContact OD1-N 2.87Å
139G94Very high92.5Very high0 Ų034.1 Ų34.10%016%0.164CC..  trans-102.35.6-173.600000114.8K164 L187 S188G139-K164 PolarHBondContact N-O 2.79Å; G139-L187 CarbonylContact O-C 3.42Å; G139-L187 WeakPolarHBondContact O-CA 3.37Å; G139-S188 WeakPolarHBondContact CA-O 3.5Å; G139-S188 PolarHBondContact O-N 3.16Å
140V95.3Very high91.9Very high1 Ų128 Ų281%0.00616%0.16CC..BIsolated β-bridgetrans-81.6121.2179.9175.20000109.7N142 I145 K164 L167 L187V140-N142 WeakPolarHBondContact CG1-O 3.42Å; V140-I145 HydrophobicContact CG1-CD1 4.26Å; V140-K164 PolarHBondContact N-O 3.14Å; V140-K164 WeakPolarHBondContact O-CA 3.2Å; V140-L167 HydrophobicContact CG2-CB 3.87Å; V140-L167 HydrophobicContact CG2-CD1 4.43Å; V140-L167 HydrophobicContact CG2-CG 4.34Å; V140-L187 HydrophobicContact CG2-CD2 4.21Å
141L94.5Very high90.5Very high8 Ų828.6 Ų28.64%0.04216%0.162CC..  trans-95.1-20179.4-63.7174.3000113.5A185 L186 P259 E260 V261L141-A185 HydrophobicContact CD1-CB 3.59Å; L141-L186 WeakPolarHBondContact CB-O 3.48Å; L141-L186 PolarHBondContact N-O 3.48Å; L141-P259 HydrophobicContact CD1-CB 4.32Å; L141-E260 WeakPolarHBondContact CD2-O 3.47Å; L141-V261 HydrophobicContact CD1-CG1 3.7Å; L141-V261 HydrophobicContact CD2-CG1 4.17Å
142N93.8Very high88.6Confident0 Ų029.2 Ų29.20%016%0.16CC..  trans-129.6124.7-176.8-165.2-64.7000111.2V140 G144 I145 L186 N252 D255 S256V140-N142 WeakPolarHBondContact CG1-O 3.42Å; N142-G144 PolarHBondContact O-N 2.68Å; N142-G144 WeakPolarHBondContact OD1-CA 3.3Å; N142-G144 PolarHBondContact OD1-N 3.01Å; N142-I145 WeakPolarHBondContact O-CG1 3.32Å; N142-I145 PolarHBondContact O-N 2.6Å; N142-L186 HydrophobicContact CB-CD2 4.06Å; N142-N252 PolarHBondContact ND2-O 3.41Å; N142-N252 PolarHBondContact OD1-N 3.5Å; N142-N252 VanDerWaalsContact OD1-N 3.09Å; N142-D255 HydrophobicContact CB-CB 4.21Å; N142-D255 WeakPolarHBondContact ND2-CB 3.26Å; N142-S256 PolarHBondContact ND2-OG 2.73Å; N142-S256 VanDerWaalsContact ND2-OG 3.11Å
143R91.1Very high86Confident42 Ų4232.1 Ų32.116%0.15819%0.187CC..THydrogen-bonded Turntrans-65.6-23.4-178.974-168.271.7-158.4-1.7113.8I145 A146 E147 H163 N252 D255R143-I145 PolarHBondContact O-N 3.49Å; R143-A146 PolarHBondContact O-N 2.91Å; R143-E147 PolarHBondContact O-N 2.99Å; R143-H163 HydrophobicContact CB-CB 3.89Å; R143-N252 HydrophobicContact CG-CB 3.91Å; R143-D255 VanDerWaalsContact CG-OD2 3.29Å; R143-D255 WeakPolarHBondContact CG-OD2 3.12Å; R143-D255 IonicContact CZ-OD1 2.6Å; R143-D255 IonicContact CZ-OD2 3.39Å; R143-D255 PolarHBondContact N-OD2 3.02Å; R143-D255 IonicContact NE-OD1 3.95Å; R143-D255 PolarHBondContact NE-OD1 3.41Å; R143-D255 IonicContact NE-OD2 2.6Å; R143-D255 PolarHBondContact NE-OD2 2.97Å; R143-D255 IonicContact NH2-OD1 2.94Å; R143-D255 PolarHBondContact NH2-OD1 3.32Å; R143-D255 IonicContact NH2-OD2 3.9Å
144G88.2Confident83.8Confident0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-57.3-24177.500000113.3N142 T148N142-G144 PolarHBondContact O-N 2.68Å; N142-G144 WeakPolarHBondContact OD1-CA 3.3Å; N142-G144 PolarHBondContact OD1-N 3.01Å; G144-T148 WeakPolarHBondContact O-CB 3.4Å; G144-T148 PolarHBondContact O-N 3.2Å; G144-T148 PolarHBondContact O-OG1 3.06Å
145I91.3Very high81.2Confident3 Ų339.9 Ų39.92%0.01524%0.236CC..Hα-helixtrans-62.7-48.4172.8-55.5-177.8000110.9V140 N142 R143 L149 L167 L186 L187 F239V140-I145 HydrophobicContact CG1-CD1 4.26Å; N142-I145 WeakPolarHBondContact O-CG1 3.32Å; N142-I145 PolarHBondContact O-N 2.6Å; R143-I145 PolarHBondContact O-N 3.49Å; I145-L149 HydrophobicContact CG2-CD1 4.21Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.12Å; I145-L167 HydrophobicContact CG2-CD1 3.65Å; I145-L186 HydrophobicContact CD1-CB 4.1Å; I145-L187 HydrophobicContact CD1-CD2 4.12Å; I145-F239 HydrophobicContact CB-CD2 4.29Å; I145-F239 HydrophobicContact CB-CE2 4.26Å; I145-F239 HydrophobicContact CB-CG 4.45Å; I145-F239 HydrophobicContact CB-CZ 4.42Å; I145-F239 HydrophobicContact CD1-CE1 4.27Å; I145-F239 HydrophobicContact CG1-CD1 4.18Å; I145-F239 HydrophobicContact CG1-CD2 4.46Å; I145-F239 HydrophobicContact CG1-CE1 3.8Å; I145-F239 HydrophobicContact CG1-CE2 4.08Å; I145-F239 HydrophobicContact CG1-CZ 3.74Å; I145-F239 HydrophobicContact CG2-CB 4.28Å; I145-F239 HydrophobicContact CG2-CD1 4.03Å; I145-F239 HydrophobicContact CG2-CD2 4.03Å; I145-F239 HydrophobicContact CG2-CE1 4.5Å; I145-F239 HydrophobicContact CG2-CE2 4.47Å; I145-F239 HydrophobicContact CG2-CG 3.8Å
146A88Confident78.8Confident4 Ų443.3 Ų43.33%0.03326%0.264CS..Hα-helixtrans-72.1-36-17800000112.2R143 L149 G150 K151 A166R143-A146 PolarHBondContact O-N 2.91Å; A146-L149 PolarHBondContact O-N 3.33Å; A146-G150 PolarHBondContact O-N 3.24Å; A146-G150 VanDerWaalsContact O-N 3.17Å; A146-K151 PolarHBondContact O-N 3.3Å; A146-A166 HydrophobicContact CB-CB 3.66Å
147E87.1Confident76.6Confident100 Ų10049.5 Ų49.547%0.46730%0.302SS..Hα-helixtrans-63.1-47175.9-67.8171.6178.500111.1R143 L149 G150 M152R143-E147 PolarHBondContact O-N 2.99Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.43Å; E147-G150 PolarHBondContact O-N 3.02Å; E147-M152 HydrophobicContact CG-SD 4.26Å
148T86.6Confident74.4Confident36 Ų3654.7 Ų54.722%0.22132%0.323CS..Hα-helixtrans-62.5-33.7178.1-570000112.5G144 G150 F239 V249G144-T148 WeakPolarHBondContact O-CB 3.4Å; G144-T148 PolarHBondContact O-N 3.2Å; G144-T148 PolarHBondContact O-OG1 3.06Å; T148-G150 VanDerWaalsContact C-N 3.31Å; T148-F239 HydrophobicContact CG2-CD2 4Å; T148-F239 HydrophobicContact CG2-CE2 4.32Å; T148-V249 HydrophobicContact CG2-CG1 3.84Å; T148-V249 HydrophobicContact CG2-CG2 4.02Å
149L86.3Confident72.4Confident32 Ų3258.4 Ų58.417%0.16834%0.341CS..THydrogen-bonded Turntrans-86.11.3177.8-65.8171000113.4I145 A146 E147 K151 L167 K235 E238 F239I145-L149 HydrophobicContact CG2-CD1 4.21Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.12Å; A146-L149 PolarHBondContact O-N 3.33Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.43Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.95Å; L149-L167 HydrophobicContact CD1-CD1 3.91Å; L149-L167 HydrophobicContact CD1-CD2 4.26Å; L149-K235 HydrophobicContact CD1-CB 3.98Å; L149-E238 HydrophobicContact CD2-CG 4.42Å; L149-F239 HydrophobicContact CD1-CB 4.2Å; L149-F239 HydrophobicContact CD2-CB 4.22Å; L149-F239 HydrophobicContact CG-CB 4.27Å
150G76.4Confident70.4Confident67 Ų6763.2 Ų63.269%0.69137%0.367SS*.THydrogen-bonded Turntrans70.121.4176.200000115.2A146 E147 T148A146-G150 PolarHBondContact O-N 3.24Å; A146-G150 VanDerWaalsContact O-N 3.17Å; E147-G150 PolarHBondContact O-N 3.02Å; T148-G150 VanDerWaalsContact C-N 3.31Å
151K65.1Low68.6Low91 Ų9168.4 Ų68.440%0.39640%0.398SS..  trans-87.9-4.9-177.9-89.9-160.3-177.8-179.10114.8A146 L149 A166 L167 D232A146-K151 PolarHBondContact O-N 3.3Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.95Å; K151-A166 PolarHBondContact NZ-O 2.96Å; K151-L167 HydrophobicContact CD-CD2 4.33Å; K151-D232 IonicContact NZ-OD1 3.58Å; K151-D232 IonicContact NZ-OD2 2.91Å; K151-D232 PolarHBondContact NZ-OD2 2.58Å; K151-D232 VanDerWaalsContact NZ-OD2 3.07Å
152M53.4Low67.6Low79 Ų7969.3 Ų69.339%0.38941%0.406SS..  trans-95.9104.1-175.7-140.2173.4-172.800112.5E147E147-M152 HydrophobicContact CG-SD 4.26Å
153S42.5Very low66.9Low119 Ų11969.8 Ų69.883%0.83241%0.408SS*.  trans-123.620.5164.4175.80000111.1
154I49.4Very low66.6Low101 Ų10169.9 Ų69.952%0.51841%0.409SS..  trans-94.9119.3-173.9-57.2174.1000109
155S42.8Very low66.6Low92 Ų9275.6 Ų75.664%0.64344%0.436SS*.  trans-42.6141.6173.7-66.60000112.6T157S155-T157 PolarHBondContact O-N 3.4Å
156A46.8Very low66.4Low72 Ų7276.6 Ų76.660%0.59545%0.445SS*.THydrogen-bonded Turntrans-5912.6-175.500000116.5M159A156-M159 HydrophobicContact CB-CE 4.22Å; A156-M159 WeakPolarHBondContact O-CE 2.98Å; A156-M159 WeakPolarHBondContact O-CG 3.48Å
157T48.1Very low66.6Low130 Ų13076.4 Ų76.480%0.79844%0.443SS*.THydrogen-bonded Turntrans-102.2-4.7-175.3470000114.6S155S155-T157 PolarHBondContact O-N 3.4Å
158Q47.9Very low67Low144 Ų14474.4 Ų74.467%0.67343%0.434SS*.SBendtrans-128.464.1170.4-70.4-162.2-12.200110.8S162Q158-S162 WeakPolarHBondContact O-CB 3.39Å
159M52Low67.5Low106 Ų10672.7 Ų72.752%0.52242%0.423SS..Hα-helixtrans-72.6-38.2-163.5-64.9-160.6-135.300115.4A156 H163A156-M159 HydrophobicContact CB-CE 4.22Å; A156-M159 WeakPolarHBondContact O-CE 2.98Å; A156-M159 WeakPolarHBondContact O-CG 3.48Å; M159-H163 PolarHBondContact O-ND1 3.38Å
160D52.8Low68Low100 Ų10071.2 Ų71.254%0.53542%0.415SS..Hα-helixtrans-98-44.7-164.4-65.6-32.8000115.3S162 H163D160-S162 PolarHBondContact O-N 2.84Å; D160-H163 PolarHBondContact O-CE1 3.31Å; D160-H163 PolarHBondContact O-ND1 2.82Å
161V56.5Low69.1Low110 Ų11068 Ų6867%0.66738%0.383SS*.Hα-helixtrans-67.2-26.8179.1-172.90000111.5
162S73.4Confident70.6Confident28 Ų2863.7 Ų63.720%0.19636%0.364CS..Hα-helixtrans-70.8-42.4-170.4-173.70000113.4Q158 D160 Q165 A166Q158-S162 WeakPolarHBondContact O-CB 3.39Å; D160-S162 PolarHBondContact O-N 2.84Å; S162-Q165 PolarHBondContact O-N 3.46Å; S162-A166 PolarHBondContact O-N 3.34Å
163H79.9Confident72.7Confident10 Ų1063.4 Ų63.45%0.04636%0.359CS..Hα-helixtrans-75.1-33.6-17373.7-89.6000112.8R143 M159 D160 Q165 A166R143-H163 HydrophobicContact CB-CB 3.89Å; M159-H163 PolarHBondContact O-ND1 3.38Å; D160-H163 PolarHBondContact O-CE1 3.31Å; D160-H163 PolarHBondContact O-ND1 2.82Å; H163-Q165 PolarHBondContact O-N 2.69Å; H163-A166 WeakPolarHBondContact O-CB 3.43Å; H163-A166 PolarHBondContact O-N 3.27Å
164K84.7Confident75.4Confident44 Ų4457.7 Ų57.719%0.19132%0.319CS..Hα-helixtrans-57.2-33.6176.7-67.9-169.3177179.50112.9N138 G139 V140 E260N138-K164 CarbonylContact C-O 3.31Å; N138-K164 VanDerWaalsContact C-O 3.31Å; N138-K164 WeakPolarHBondContact CA-O 3.5Å; N138-K164 HydrophobicContact CB-CB 4.48Å; G139-K164 PolarHBondContact N-O 2.79Å; V140-K164 PolarHBondContact N-O 3.14Å; V140-K164 WeakPolarHBondContact O-CA 3.2Å; K164-E260 WeakPolarHBondContact CE-OE1 3.45Å; K164-E260 IonicContact NZ-OE1 2.72Å; K164-E260 PolarHBondContact NZ-OE1 3.05Å; K164-E260 IonicContact NZ-OE2 2.68Å; K164-E260 PolarHBondContact NZ-OE2 3.02Å
165Q88Confident77.7Confident119 Ų11952.9 Ų52.956%0.55629%0.294SS*.THydrogen-bonded Turntrans-95.16.8-179.8-63.5-179.5-9.200113.3P137 N138 S162 H163 L167P137-Q165 WeakPolarHBondContact O-CA 3.24Å; N138-Q165 HydrophobicContact CB-CG 3.91Å; S162-Q165 PolarHBondContact O-N 3.46Å; H163-Q165 PolarHBondContact O-N 2.69Å; Q165-L167 PolarHBondContact O-N 2.94Å
166A87.4Confident80.3Confident24 Ų2448.5 Ų48.520%0.19826%0.264CS..SBendtrans-61.3-29.6-177.900000113A146 K151 S162 H163A146-A166 HydrophobicContact CB-CB 3.66Å; K151-A166 PolarHBondContact NZ-O 2.96Å; S162-A166 PolarHBondContact O-N 3.34Å; H163-A166 WeakPolarHBondContact O-CB 3.43Å; H163-A166 PolarHBondContact O-N 3.27Å
167L92.3Very high82.7Confident1 Ų145.1 Ų45.11%0.00524%0.235CC..  trans-132.2135.9175.5-59.3175.3000110.2V140 I145 L149 K151 Q165 D232 K235 I236V140-L167 HydrophobicContact CG2-CB 3.87Å; V140-L167 HydrophobicContact CG2-CD1 4.43Å; V140-L167 HydrophobicContact CG2-CG 4.34Å; I145-L167 HydrophobicContact CG2-CD1 3.65Å; L149-L167 HydrophobicContact CD1-CD1 3.91Å; L149-L167 HydrophobicContact CD1-CD2 4.26Å; K151-L167 HydrophobicContact CD-CD2 4.33Å; Q165-L167 PolarHBondContact O-N 2.94Å; L167-D232 HydrophobicContact CB-CB 4.31Å; L167-D232 HydrophobicContact CD2-CB 3.94Å; L167-D232 WeakPolarHBondContact CD2-OD2 3.28Å; L167-K235 HydrophobicContact CD2-CD 4.33Å; L167-I236 HydrophobicContact CD1-CG1 3.96Å
168Q94.7Very high85Confident58 Ų5841.5 Ų41.527%0.27121%0.211SC..  trans-109.3130.6167.5171.2176.8-66.900108.3L135 I136 P137 E231 D232L135-Q168 HydrophobicContact CD1-CG 3.46Å; L135-Q168 VanDerWaalsContact CD1-CG 3.46Å; L135-Q168 HydrophobicContact CG-CG 4.16Å; I136-Q168 WeakPolarHBondContact O-CA 3.4Å; P137-Q168 HydrophobicContact CB-CG 4.42Å; Q168-E231 PolarHBondContact NE2-OE2 3.17Å; Q168-E231 VanDerWaalsContact O-CB 3.27Å; Q168-E231 WeakPolarHBondContact O-CB 3.27Å; Q168-D232 VanDerWaalsContact O-CB 3.28Å; Q168-D232 WeakPolarHBondContact O-CB 3.46Å; Q168-D232 PolarHBondContact O-N 2.9Å
169F97.1Very high87.3Confident0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-137.5152.3-175.364.3-88.9000112.5L135 I136 Y171 L187 V200 M222 N233 I236L135-F169 WeakPolarHBondContact CD1-O 3.07Å; I136-F169 HydrophobicContact CB-CD1 4.48Å; I136-F169 HydrophobicContact CB-CD2 4.41Å; I136-F169 HydrophobicContact CB-CE1 4.1Å; I136-F169 HydrophobicContact CB-CE2 4.03Å; I136-F169 HydrophobicContact CB-CZ 3.86Å; I136-F169 HydrophobicContact CD1-CD2 4.4Å; I136-F169 HydrophobicContact CD1-CE2 3.55Å; I136-F169 HydrophobicContact CD1-CZ 3.8Å; I136-F169 HydrophobicContact CG1-CE2 4.34Å; I136-F169 HydrophobicContact CG1-CZ 4.45Å; I136-F169 HydrophobicContact CG2-CE1 3.91Å; I136-F169 HydrophobicContact CG2-CE2 4.46Å; I136-F169 HydrophobicContact CG2-CZ 3.8Å; I136-F169 PolarHBondContact N-O 3.29Å; I136-F169 PolarHBondContact O-N 2.82Å; F169-Y171 HydrophobicContact CD2-CD2 4.47Å; F169-Y171 HydrophobicContact CE2-CD2 4.03Å; F169-Y171 HydrophobicContact CE2-CG 4.32Å; F169-L187 HydrophobicContact CE1-CD1 4.44Å; F169-L187 HydrophobicContact CE1-CD2 4.09Å; F169-L187 HydrophobicContact CZ-CB 4.13Å; F169-L187 HydrophobicContact CZ-CD1 4.25Å; F169-L187 HydrophobicContact CZ-CD2 4.47Å; F169-V200 HydrophobicContact CE2-CG2 4.33Å; F169-V200 HydrophobicContact CZ-CG2 4.23Å; F169-M222 HydrophobicContact CB-CE 3.9Å; F169-M222 HydrophobicContact CD2-CE 3.54Å; F169-M222 HydrophobicContact CD2-SD 4.36Å; F169-M222 HydrophobicContact CE2-CE 4.33Å; F169-M222 HydrophobicContact CG-CE 3.94Å; F169-N233 WeakPolarHBondContact CA-OD1 3.49Å; F169-N233 WeakPolarHBondContact CB-OD1 3.36Å; F169-I236 HydrophobicContact CB-CD1 3.31Å; F169-I236 HydrophobicContact CD1-CD1 3.57Å; F169-I236 HydrophobicContact CD2-CD1 4.15Å; F169-I236 HydrophobicContact CE1-CD1 4.39Å; F169-I236 HydrophobicContact CG-CD1 3.42Å; F169-I236 VanDerWaalsContact CG-CD1 3.42Å
170L97.7Very high89.3Confident0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-96.1122.9175.6-175.161000108.9Y128 E133 L135 P172 Y227 K230 E231 N233Y128-L170 HydrophobicContact CD1-CD1 4.41Å; Y128-L170 HydrophobicContact CD1-CD2 4.04Å; Y128-L170 HydrophobicContact CD2-CD1 3.67Å; Y128-L170 HydrophobicContact CD2-CD2 4.48Å; Y128-L170 HydrophobicContact CE1-CD1 4.48Å; Y128-L170 HydrophobicContact CE1-CD2 3.59Å; Y128-L170 HydrophobicContact CE2-CD1 3.73Å; Y128-L170 HydrophobicContact CE2-CD2 4.05Å; Y128-L170 HydrophobicContact CE2-CG 4.41Å; Y128-L170 HydrophobicContact CG-CD1 4.03Å; Y128-L170 HydrophobicContact CG-CD2 4.48Å; E133-L170 HydrophobicContact CB-CD1 4.14Å; E133-L170 VanDerWaalsContact O-CD1 3.29Å; E133-L170 WeakPolarHBondContact O-CD1 3.16Å; L135-L170 HydrophobicContact CB-CD1 4.24Å; L170-P172 WeakPolarHBondContact O-CD 3.37Å; L170-Y227 HydrophobicContact CD2-CD1 3.56Å; L170-Y227 HydrophobicContact CD2-CE1 4.04Å; L170-Y227 HydrophobicContact CG-CD1 4.34Å; L170-K230 HydrophobicContact CD2-CB 4.15Å; L170-K230 HydrophobicContact CD2-CD 3.56Å; L170-E231 HydrophobicContact CB-CG 4.12Å; L170-N233 PolarHBondContact N-OD1 3.49Å; L170-N233 PolarHBondContact O-ND2 2.94Å; L170-N233 PolarHBondContact O-OD1 3.38Å
171Y98.1Very high91.3Very high1 Ų137.4 Ų37.40%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-112.978.4-177.1-165.3-103.8000111.1V120 A134 I136 F169 G174 A175 V200 V217 G218 S219 M222V120-Y171 HydrophobicContact CB-CD1 4.01Å; V120-Y171 HydrophobicContact CB-CE1 4.14Å; V120-Y171 HydrophobicContact CG1-CD1 4.14Å; V120-Y171 HydrophobicContact CG2-CD1 4.14Å; V120-Y171 HydrophobicContact CG2-CE1 3.82Å; A134-Y171 PolarHBondContact N-O 3.45Å; A134-Y171 PolarHBondContact O-N 3.39Å; I136-Y171 HydrophobicContact CD1-CG 4.14Å; F169-Y171 HydrophobicContact CD2-CD2 4.47Å; F169-Y171 HydrophobicContact CE2-CD2 4.03Å; F169-Y171 HydrophobicContact CE2-CG 4.32Å; Y171-G174 VanDerWaalsContact CE1-CA 3.49Å; Y171-A175 PolarHBondContact OH-O 2.83Å; Y171-V200 HydrophobicContact CD1-CG1 4.37Å; Y171-V200 HydrophobicContact CD2-CB 4.41Å; Y171-V200 HydrophobicContact CD2-CG2 4.39Å; Y171-V200 HydrophobicContact CE1-CB 4.02Å; Y171-V200 HydrophobicContact CE1-CG1 3.83Å; Y171-V200 HydrophobicContact CE2-CB 3.74Å; Y171-V200 HydrophobicContact CE2-CG1 4.42Å; Y171-V200 HydrophobicContact CE2-CG2 4.08Å; Y171-V200 WeakPolarHBondContact OH-CB 3.41Å; Y171-V200 PolarHBondContact OH-O 3.4Å; Y171-V217 HydrophobicContact CE2-CG1 4.23Å; Y171-G218 WeakPolarHBondContact OH-CA 3.24Å; Y171-G218 PolarHBondContact OH-N 2.8Å; Y171-G218 PolarHBondContact OH-O 2.85Å; Y171-S219 PolarHBondContact OH-N 2.63Å; Y171-M222 HydrophobicContact CD2-SD 3.78Å; Y171-M222 HydrophobicContact CE2-SD 4.23Å
172P97.9Very high93Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-79.9136.3-172.633.3-37.5000112.1K132 E133 L170 G174 S219 A221 Y227K132-P172 CarbonylContact O-C 2.89Å; K132-P172 WeakPolarHBondContact O-CA 3.45Å; E133-P172 HydrophobicContact CG-CB 4.33Å; L170-P172 WeakPolarHBondContact O-CD 3.37Å; P172-G174 PolarHBondContact O-N 2.95Å; P172-S219 PolarHBondContact O-OG 2.72Å; P172-A221 HydrophobicContact CB-CB 4.3Å; P172-A221 HydrophobicContact CG-CB 3.77Å; P172-Y227 HydrophobicContact CB-CD1 4.02Å; P172-Y227 HydrophobicContact CB-CD2 4.33Å; P172-Y227 HydrophobicContact CB-CE1 3.79Å; P172-Y227 HydrophobicContact CB-CE2 4.1Å; P172-Y227 HydrophobicContact CB-CG 4.3Å; P172-Y227 HydrophobicContact CG-CD1 3.81Å; P172-Y227 HydrophobicContact CG-CD2 3.81Å; P172-Y227 HydrophobicContact CG-CE1 4.09Å; P172-Y227 HydrophobicContact CG-CE2 4.07Å; P172-Y227 HydrophobicContact CG-CG 3.68Å
173Y97.6Very high94.1Very high72 Ų7235 Ų3528%0.28218%0.184SC..THydrogen-bonded Turntrans46.840.5171.1-50.6-79.7000113.5E94 H130 K132 E133 A221 Y227E94-Y173 WeakPolarHBondContact CB-O 3.28Å; E94-Y173 PolarHBondContact N-O 2.83Å; H130-Y173 AromaticContact CE1-CE1 3.86Å; K132-Y173 HydrophobicContact CB-CD1 3.73Å; K132-Y173 HydrophobicContact CB-CE1 3.88Å; K132-Y173 HydrophobicContact CB-CG 4.4Å; K132-Y173 HydrophobicContact CD-CD1 3.65Å; K132-Y173 HydrophobicContact CD-CE1 3.95Å; K132-Y173 HydrophobicContact CG-CD1 4.33Å; K132-Y173 PolarHBondContact O-N 2.87Å; E133-Y173 HydrophobicContact CG-CE2 4.37Å; Y173-A221 HydrophobicContact CD2-CB 4.46Å; Y173-Y227 WeakPolarHBondContact CE2-OH 3.47Å
174G97.5Very high94.9Very high0 Ų035.8 Ų35.80%019%0.19CC..PPolyproline II helixtrans-101.3158.3-176.900000113.2V120 Y171 P172 G218V120-G174 PolarHBondContact N-O 2.89Å; Y171-G174 VanDerWaalsContact CE1-CA 3.49Å; P172-G174 PolarHBondContact O-N 2.95Å; G174-G218 CarbonylContact C-O 3.31Å; G174-G218 WeakPolarHBondContact CA-O 3.35Å
175A97.8Very high95.5Very high0 Ų033.8 Ų33.80%018%0.182CC..PPolyproline II helixtrans-101.5155.4169.600000110.6G93 V115 N116 D118 Y171 G218G93-A175 WeakPolarHBondContact O-CB 3.33Å; V115-A175 HydrophobicContact CG1-CB 4.01Å; N116-A175 WeakPolarHBondContact O-CB 3.45Å; D118-A175 WeakPolarHBondContact OD1-CA 3.15Å; Y171-A175 PolarHBondContact OH-O 2.83Å; A175-G218 PolarHBondContact N-O 2.83Å
176S97.3Very high95.9Very high0 Ų028.2 Ų28.20%016%0.155CC..PPolyproline II helixtrans-77.4164.3168.179.70000111.2N116 D118 P199N116-S176 WeakPolarHBondContact CB-O 3.35Å; N116-S176 PolarHBondContact N-O 2.94Å; N116-S176 PolarHBondContact ND2-OG 2.84Å; D118-S176 PolarHBondContact OD1-N 3.26Å; D118-S176 PolarHBondContact OD1-OG 2.96Å; D118-S176 PolarHBondContact OD2-OG 3.18Å; S176-P199 CarbonylContact C-O 3.48Å
177L98Very high96.4Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-115.8152.4177.5-49.9179000110.4I113 M114 V115 V179 R198 P199 A202 V216I113-L177 HydrophobicContact CG2-CD1 4.5Å; M114-L177 CarbonylContact O-C 3.59Å; M114-L177 VanDerWaalsContact O-CA 3.24Å; M114-L177 WeakPolarHBondContact O-CA 3.38Å; V115-L177 HydrophobicContact CB-CD2 4.07Å; V115-L177 HydrophobicContact CG1-CD2 4.16Å; V115-L177 HydrophobicContact CG2-CD2 3.62Å; L177-V179 HydrophobicContact CB-CG2 4.21Å; L177-R198 PolarHBondContact O-NH2 2.98Å; L177-P199 HydrophobicContact CB-CB 4.17Å; L177-P199 PolarHBondContact N-O 3.46Å; L177-A202 HydrophobicContact CD1-CB 4Å; L177-V216 HydrophobicContact CD1-CG1 4.34Å; L177-V216 HydrophobicContact CD2-CG1 4.33Å
178N96.4Very high96.6Very high54 Ų5427.3 Ų27.329%0.28915%0.147SC..EExtended strand (participates in β ladder)trans-100.3130.9158-67.2-9.5000107.9I113 M114 N116 R198I113-N178 CarbonylContact C-O 3.57Å; I113-N178 WeakPolarHBondContact CA-O 3.09Å; M114-N178 HydrophobicContact CB-CB 4.29Å; M114-N178 HydrophobicContact CE-CB 4.14Å; M114-N178 WeakPolarHBondContact CE-ND2 3.31Å; M114-N178 PolarHBondContact N-O 2.8Å; M114-N178 PolarHBondContact O-N 2.83Å; N116-N178 PolarHBondContact ND2-OD1 2.77Å; N116-N178 PolarHBondContact OD1-ND2 3.2Å; N116-N178 PolarHBondContact OD1-OD1 3.3Å; N178-R198 PolarHBondContact OD1-NH2 2.83Å
179V96.9Very high96.6Very high41 Ų4124.5 Ų24.525%0.24813%0.134CC..EExtended strand (participates in β ladder)trans-128.8129.4-178.9-1720000108.3G112 L177 A183 A185 P199 A202G112-V179 CarbonylContact O-C 3.59Å; G112-V179 VanDerWaalsContact O-CA 3.31Å; G112-V179 WeakPolarHBondContact O-CA 3.45Å; L177-V179 HydrophobicContact CB-CG2 4.21Å; V179-A183 HydrophobicContact CG1-CB 3.76Å; V179-A185 HydrophobicContact CB-CB 4.31Å; V179-A185 HydrophobicContact CG1-CB 4.34Å; V179-A185 HydrophobicContact CG2-CB 4.19Å; V179-P199 HydrophobicContact CB-CG 4.45Å; V179-P199 HydrophobicContact CG2-CB 3.66Å; V179-P199 HydrophobicContact CG2-CG 3.99Å; V179-A202 HydrophobicContact CG1-CB 4.16Å; V179-A202 HydrophobicContact CG2-CB 3.49Å; V179-A202 VanDerWaalsContact CG2-CB 3.49Å
180A94.6Very high96.5Very high58 Ų5824.5 Ų24.548%0.47913%0.134SC..  trans-131.9154.8175.600000109.3G112 A183G112-A180 PolarHBondContact O-N 3.04Å; A180-A183 PolarHBondContact O-N 3.1Å
181K93.1Very high96.1Very high166 Ų16627.9 Ų27.972%0.72216%0.158SC*.THydrogen-bonded Turntrans-56.6133.9173-67.4-178.1-179.7174.80108.4G257K181-G257 WeakPolarHBondContact CE-O 3.48Å; K181-G257 PolarHBondContact NZ-O 3.32Å; K181-G257 VanDerWaalsContact NZ-O 3.17Å
182P92.8Very high95.8Very high80 Ų8029.1 Ų29.152%0.51917%0.165SC..THydrogen-bonded Turncis-91.7-0.319.737-38.7000116.5Y204P182-Y204 HydrophobicContact CB-CD2 4.08Å; P182-Y204 HydrophobicContact CB-CE2 3.69Å; P182-Y204 HydrophobicContact CG-CD2 3.76Å; P182-Y204 HydrophobicContact CG-CE2 3.33Å
183A96.6Very high95.6Very high7 Ų729.1 Ų29.16%0.05817%0.165CC..SBendtrans-73.4159.8175.900000112.8F111 I113 V179 A180 V203F111-A183 WeakPolarHBondContact O-CB 3.3Å; F111-A183 PolarHBondContact O-N 3.42Å; I113-A183 HydrophobicContact CD1-CB 3.91Å; I113-A183 HydrophobicContact CG1-CB 3.44Å; I113-A183 VanDerWaalsContact CG1-CB 3.44Å; V179-A183 HydrophobicContact CG1-CB 3.76Å; A180-A183 PolarHBondContact O-N 3.1Å; A183-V203 CarbonylContact C-O 3.59Å; A183-V203 WeakPolarHBondContact CA-O 3.27Å; A183-V203 WeakPolarHBondContact CB-O 3.17Å
184V96.9Very high95.3Very high27 Ų2730.4 Ų30.416%0.16417%0.173CC..EExtended strand (participates in β ladder)trans-123.1131.4-178.5178.30000109.5L186 A202 V203 L251V184-L186 HydrophobicContact CG1-CD2 4.31Å; V184-A202 CarbonylContact O-C 3.53Å; V184-A202 VanDerWaalsContact O-CA 3.27Å; V184-A202 WeakPolarHBondContact O-CA 3.32Å; V184-V203 HydrophobicContact CB-CG2 4.22Å; V184-V203 PolarHBondContact N-O 3.05Å; V184-V203 PolarHBondContact O-N 3.28Å; V184-L251 HydrophobicContact CG1-CD1 4.38Å
185A97.3Very high95.1Very high2 Ų230.7 Ų30.72%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-82.5132.9173.200000110.1L141 V179 P199 P259L141-A185 HydrophobicContact CD1-CB 3.59Å; V179-A185 HydrophobicContact CB-CB 4.31Å; V179-A185 HydrophobicContact CG1-CB 4.34Å; V179-A185 HydrophobicContact CG2-CB 4.19Å; A185-P199 HydrophobicContact CB-CB 4.02Å; A185-P199 HydrophobicContact CB-CG 4.07Å; A185-P259 HydrophobicContact CB-CB 4.47Å
186L96.2Very high94.9Very high1 Ų133.4 Ų33.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-109.9-36.9-177.8-70.3-169.3000113.7L141 N142 I145 V184 C201 V203 F239 L240 L251L141-L186 WeakPolarHBondContact CB-O 3.48Å; L141-L186 PolarHBondContact N-O 3.48Å; N142-L186 HydrophobicContact CB-CD2 4.06Å; I145-L186 HydrophobicContact CD1-CB 4.1Å; V184-L186 HydrophobicContact CG1-CD2 4.31Å; L186-C201 PolarHBondContact N-O 3.07Å; L186-V203 HydrophobicContact CD1-CB 4.27Å; L186-V203 HydrophobicContact CD1-CG1 3.43Å; L186-V203 VanDerWaalsContact CD1-CG1 3.43Å; L186-V203 HydrophobicContact CD1-CG2 3.82Å; L186-V203 HydrophobicContact CD2-CG2 4.18Å; L186-V203 HydrophobicContact CG-CG1 4.13Å; L186-V203 HydrophobicContact CG-CG2 3.86Å; L186-F239 HydrophobicContact CD1-CE1 3.8Å; L186-F239 HydrophobicContact CD1-CZ 4.44Å; L186-L240 HydrophobicContact CD1-CD2 4.2Å; L186-L251 HydrophobicContact CD2-CD1 3.76Å; L186-L251 HydrophobicContact CD2-CD2 3.74Å; L186-L251 HydrophobicContact CD2-CG 4.4Å
187L97.5Very high94.7Very high3 Ų335.4 Ų35.42%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-127.5148.5178.3-57.4174.5000109.9G139 V140 I145 F169 P199 V200 C201 I236G139-L187 CarbonylContact O-C 3.42Å; G139-L187 WeakPolarHBondContact O-CA 3.37Å; V140-L187 HydrophobicContact CG2-CD2 4.21Å; I145-L187 HydrophobicContact CD1-CD2 4.12Å; F169-L187 HydrophobicContact CE1-CD1 4.44Å; F169-L187 HydrophobicContact CE1-CD2 4.09Å; F169-L187 HydrophobicContact CZ-CB 4.13Å; F169-L187 HydrophobicContact CZ-CD1 4.25Å; F169-L187 HydrophobicContact CZ-CD2 4.47Å; L187-P199 CarbonylContact O-C 3.59Å; L187-P199 WeakPolarHBondContact O-CA 3.38Å; L187-V200 HydrophobicContact CB-CG2 3.57Å; L187-V200 PolarHBondContact O-N 3.3Å; L187-C201 HydrophobicContact CB-CB 3.73Å; L187-C201 HydrophobicContact CD1-CB 3.78Å; L187-C201 HydrophobicContact CG-CB 3.82Å; L187-C201 PolarHBondContact N-O 3.02Å; L187-C201 PolarHBondContact O-N 3.44Å; L187-I236 HydrophobicContact CD1-CD1 3.98Å; L187-I236 HydrophobicContact CD1-CG2 3.82Å
188S96.7Very high94.6Very high3 Ų336.3 Ų36.32%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-126.3170.9172.574.90000112.7G139 G190 R198G139-S188 WeakPolarHBondContact CA-O 3.5Å; G139-S188 PolarHBondContact O-N 3.16Å; S188-G190 PolarHBondContact O-N 3.18Å; S188-G190 PolarHBondContact OG-N 2.76Å; S188-R198 CarbonylContact C-O 3.54Å; S188-R198 WeakPolarHBondContact CA-O 3.28Å; S188-R198 WeakPolarHBondContact CB-O 3.39Å
189T95.9Very high94.7Very high0 Ų033.9 Ų33.90%019%0.19CC..  trans-68-11.717052.40000113.8V120 P195 N197 R198 V200V120-T189 HydrophobicContact CB-CG2 4.34Å; V120-T189 HydrophobicContact CG1-CG2 3.65Å; V120-T189 HydrophobicContact CG2-CG2 3.66Å; T189-P195 VanDerWaalsContact CB-O 3.28Å; T189-P195 WeakPolarHBondContact CB-O 3.34Å; T189-P195 WeakPolarHBondContact CG2-O 2.99Å; T189-P195 PolarHBondContact OG1-O 2.88Å; T189-N197 PolarHBondContact OG1-N 3.15Å; T189-R198 HydrophobicContact CG2-CB 4.35Å; T189-R198 PolarHBondContact N-O 2.85Å; T189-R198 PolarHBondContact OG1-N 2.86Å; T189-V200 HydrophobicContact CG2-CG1 3.51Å
190G93.2Very high94.7Very high0 Ų032 Ų320%018%0.178CC..THydrogen-bonded Turntrans60.6-158.5-17600000113.2S188 N197S188-G190 PolarHBondContact O-N 3.18Å; S188-G190 PolarHBondContact OG-N 2.76Å; G190-N197 WeakPolarHBondContact CA-OD1 3.34Å; G190-N197 PolarHBondContact O-N 2.87Å; G190-N197 PolarHBondContact O-OD1 3.18Å
191S90.8Very high94.9Very high70 Ų7029.2 Ų29.249%0.4916%0.156SC..THydrogen-bonded Turntrans-91.2-0.8-173.463.50000114.9N138 L196N138-S191 PolarHBondContact ND2-OG 3.24Å; N138-S191 PolarHBondContact OD1-N 2.87Å; S191-L196 WeakPolarHBondContact O-CD2 3.36Å
192V91.1Very high95.1Very high27 Ų2721.3 Ų21.316%0.16412%0.121CC..THydrogen-bonded Turntrans-114.7-8.5-171.9-590000114.1R122 T123 P137R122-V192 WeakPolarHBondContact CG-O 3.3Å; T123-V192 PolarHBondContact N-O 2.9Å; T123-V192 PolarHBondContact OG1-O 3.25Å; P137-V192 VanDerWaalsContact CD-CG2 3.44Å; P137-V192 HydrophobicContact CG-CG1 4.35Å; P137-V192 HydrophobicContact CG-CG2 4.19Å
193A93.4Very high95.4Very high0 Ų017.6 Ų17.60%010%0.097CC..EExtended strand (participates in β ladder)trans-121.7145.9-179.600000110.7V120 L121 A134 P195 L196V120-A193 HydrophobicContact CG1-CB 3.85Å; L121-A193 CarbonylContact O-C 3.48Å; L121-A193 VanDerWaalsContact O-CA 3.27Å; L121-A193 WeakPolarHBondContact O-CA 3.43Å; A134-A193 HydrophobicContact CB-CB 4.39Å; A193-P195 CarbonylContact O-C 3.39Å; A193-L196 WeakPolarHBondContact O-CA 3.37Å; A193-L196 WeakPolarHBondContact O-CD2 3.07Å; A193-L196 PolarHBondContact O-N 2.83Å
194F92Very high95.4Very high100 Ų10018.6 Ų18.644%0.43910%0.099SC..EExtended strand (participates in β ladder)trans-100.4136.8175.9-177.2-92000109.4V120 L121 T123V120-F194 CarbonylContact C-O 3.33Å; V120-F194 WeakPolarHBondContact CA-O 3.27Å; L121-F194 PolarHBondContact N-O 3.06Å; L121-F194 PolarHBondContact O-N 2.92Å; T123-F194 HydrophobicContact CG2-CB 3.72Å
195P93.7Very high95.2Very high6 Ų621.4 Ų21.44%0.03911%0.109CC..SBendcis-68.4144.5-3.730-36.8000112.2T189 A193 R198T189-P195 VanDerWaalsContact CB-O 3.28Å; T189-P195 WeakPolarHBondContact CB-O 3.34Å; T189-P195 WeakPolarHBondContact CG2-O 2.99Å; T189-P195 PolarHBondContact OG1-O 2.88Å; A193-P195 CarbonylContact O-C 3.39Å; P195-R198 HydrophobicContact CB-CB 4.46Å; P195-R198 HydrophobicContact CB-CG 3.54Å; P195-R198 HydrophobicContact CG-CB 3.99Å; P195-R198 HydrophobicContact CG-CG 3.53Å
196L91.8Very high94.9Very high57 Ų5722.6 Ų22.630%0.29812%0.115SC..THydrogen-bonded Turntrans-70140.1-172-68.5167.9000112.2S191 A193 R198S191-L196 WeakPolarHBondContact O-CD2 3.36Å; A193-L196 WeakPolarHBondContact O-CA 3.37Å; A193-L196 WeakPolarHBondContact O-CD2 3.07Å; A193-L196 PolarHBondContact O-N 2.83Å; L196-R198 WeakPolarHBondContact O-CG 3.49Å; L196-R198 PolarHBondContact O-N 2.89Å
197N93.9Very high94.4Very high41 Ų4128.1 Ų28.122%0.21915%0.15CC..THydrogen-bonded Turntrans45.437.1175.2-65.5-37000114.4T189 G190 V261 E262T189-N197 PolarHBondContact OG1-N 3.15Å; G190-N197 WeakPolarHBondContact CA-OD1 3.34Å; G190-N197 PolarHBondContact O-N 2.87Å; G190-N197 PolarHBondContact O-OD1 3.18Å; N197-V261 VanDerWaalsContact O-CA 3.31Å; N197-V261 WeakPolarHBondContact O-CA 3.41Å; N197-E262 HydrophobicContact CB-CB 3.92Å; N197-E262 HydrophobicContact CB-CG 3.57Å; N197-E262 PolarHBondContact O-N 3.24Å
198R95.7Very high93.7Very high20 Ų2031.2 Ų31.28%0.07517%0.172CC..  trans-93.1140.7178.3-69.9-56.9-58.1169.43.4111L177 N178 S188 T189 P195 L196 E262L177-R198 PolarHBondContact O-NH2 2.98Å; N178-R198 PolarHBondContact OD1-NH2 2.83Å; S188-R198 CarbonylContact C-O 3.54Å; S188-R198 WeakPolarHBondContact CA-O 3.28Å; S188-R198 WeakPolarHBondContact CB-O 3.39Å; T189-R198 HydrophobicContact CG2-CB 4.35Å; T189-R198 PolarHBondContact N-O 2.85Å; T189-R198 PolarHBondContact OG1-N 2.86Å; P195-R198 HydrophobicContact CB-CB 4.46Å; P195-R198 HydrophobicContact CB-CG 3.54Å; P195-R198 HydrophobicContact CG-CB 3.99Å; P195-R198 HydrophobicContact CG-CG 3.53Å; L196-R198 WeakPolarHBondContact O-CG 3.49Å; L196-R198 PolarHBondContact O-N 2.89Å; R198-E262 WeakPolarHBondContact CD-O 3.22Å; R198-E262 PolarHBondContact NH1-O 3.4Å
199P97.9Very high92.8Very high3 Ų337 Ų372%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-55.5140.6175-25.333.8000112.3S176 L177 V179 A185 L187 V261S176-P199 CarbonylContact C-O 3.48Å; L177-P199 HydrophobicContact CB-CB 4.17Å; L177-P199 PolarHBondContact N-O 3.46Å; V179-P199 HydrophobicContact CB-CG 4.45Å; V179-P199 HydrophobicContact CG2-CB 3.66Å; V179-P199 HydrophobicContact CG2-CG 3.99Å; A185-P199 HydrophobicContact CB-CB 4.02Å; A185-P199 HydrophobicContact CB-CG 4.07Å; L187-P199 CarbonylContact O-C 3.59Å; L187-P199 WeakPolarHBondContact O-CA 3.38Å; P199-V261 HydrophobicContact CG-CB 4.35Å; P199-V261 HydrophobicContact CG-CG1 3.9Å
200V98Very high92.1Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-129.6-15.7176.5-64.50000113.2V120 F169 Y171 L187 T189 G218V120-V200 HydrophobicContact CG2-CG1 4.33Å; F169-V200 HydrophobicContact CE2-CG2 4.33Å; F169-V200 HydrophobicContact CZ-CG2 4.23Å; Y171-V200 HydrophobicContact CD1-CG1 4.37Å; Y171-V200 HydrophobicContact CD2-CB 4.41Å; Y171-V200 HydrophobicContact CD2-CG2 4.39Å; Y171-V200 HydrophobicContact CE1-CB 4.02Å; Y171-V200 HydrophobicContact CE1-CG1 3.83Å; Y171-V200 HydrophobicContact CE2-CB 3.74Å; Y171-V200 HydrophobicContact CE2-CG1 4.42Å; Y171-V200 HydrophobicContact CE2-CG2 4.08Å; Y171-V200 WeakPolarHBondContact OH-CB 3.41Å; Y171-V200 PolarHBondContact OH-O 3.4Å; L187-V200 HydrophobicContact CB-CG2 3.57Å; L187-V200 PolarHBondContact O-N 3.3Å; T189-V200 HydrophobicContact CG2-CG1 3.51Å; V200-G218 PolarHBondContact O-N 3.35Å
201C98.3Very high91.8Very high1 Ų143.6 Ų43.61%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-138.1132.9170.5179.60000109L186 L187 V216 V217L186-C201 PolarHBondContact N-O 3.07Å; L187-C201 HydrophobicContact CB-CB 3.73Å; L187-C201 HydrophobicContact CD1-CB 3.78Å; L187-C201 HydrophobicContact CG-CB 3.82Å; L187-C201 PolarHBondContact N-O 3.02Å; L187-C201 PolarHBondContact O-N 3.44Å; C201-V216 CarbonylContact C-O 3.45Å; C201-V216 VanDerWaalsContact CA-O 3.28Å; C201-V216 WeakPolarHBondContact CA-O 3.42Å; C201-V217 HydrophobicContact CB-CG2 4.36Å
202A98.3Very high91.9Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-137.1152.5179.100000110.7I113 L177 V179 V184 A215 V216I113-A202 HydrophobicContact CD1-CB 3.82Å; I113-A202 HydrophobicContact CG1-CB 3.96Å; I113-A202 HydrophobicContact CG2-CB 4.11Å; L177-A202 HydrophobicContact CD1-CB 4Å; V179-A202 HydrophobicContact CG1-CB 4.16Å; V179-A202 HydrophobicContact CG2-CB 3.49Å; V179-A202 VanDerWaalsContact CG2-CB 3.49Å; V184-A202 CarbonylContact O-C 3.53Å; V184-A202 VanDerWaalsContact O-CA 3.27Å; V184-A202 WeakPolarHBondContact O-CA 3.32Å; A202-A215 CarbonylContact O-C 3.52Å; A202-A215 WeakPolarHBondContact O-CA 3.38Å; A202-V216 PolarHBondContact N-O 3.43Å; A202-V216 PolarHBondContact O-N 2.74Å
203V97.8Very high92.1Very high1 Ų139.4 Ų39.41%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-133.4154.5178.4-61.90000111.5A183 V184 L186 L214 A215 L240 Y243 L251A183-V203 CarbonylContact C-O 3.59Å; A183-V203 WeakPolarHBondContact CA-O 3.27Å; A183-V203 WeakPolarHBondContact CB-O 3.17Å; V184-V203 HydrophobicContact CB-CG2 4.22Å; V184-V203 PolarHBondContact N-O 3.05Å; V184-V203 PolarHBondContact O-N 3.28Å; L186-V203 HydrophobicContact CD1-CB 4.27Å; L186-V203 HydrophobicContact CD1-CG1 3.43Å; L186-V203 VanDerWaalsContact CD1-CG1 3.43Å; L186-V203 HydrophobicContact CD1-CG2 3.82Å; L186-V203 HydrophobicContact CD2-CG2 4.18Å; L186-V203 HydrophobicContact CG-CG1 4.13Å; L186-V203 HydrophobicContact CG-CG2 3.86Å; V203-L214 CarbonylContact C-O 3.42Å; V203-L214 WeakPolarHBondContact CA-O 3.35Å; V203-L214 WeakPolarHBondContact CB-O 3.24Å; V203-A215 HydrophobicContact CG1-CB 3.89Å; V203-L240 HydrophobicContact CG1-CD2 4.43Å; V203-Y243 HydrophobicContact CB-CD1 4.49Å; V203-Y243 HydrophobicContact CB-CE1 3.74Å; V203-Y243 HydrophobicContact CG1-CD1 4.12Å; V203-Y243 HydrophobicContact CG1-CE1 3.86Å; V203-Y243 HydrophobicContact CG2-CE1 3.82Å; V203-L251 HydrophobicContact CG2-CD1 3.92Å
204Y96.3Very high92.3Very high28 Ų2839.4 Ų39.411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-138.6131.7171.7170.4-100.5000108.5F111 P182 F206 T213 L214F111-Y204 HydrophobicContact CB-CD1 4.03Å; F111-Y204 HydrophobicContact CB-CD2 4.5Å; F111-Y204 HydrophobicContact CB-CG 3.97Å; F111-Y204 AromaticContact CD1-CD1 3.47Å; F111-Y204 HydrophobicContact CD1-CD1 3.47Å; F111-Y204 VanDerWaalsContact CD1-CD1 3.47Å; F111-Y204 AromaticContact CD1-CE1 3.32Å; F111-Y204 HydrophobicContact CD1-CE1 3.32Å; F111-Y204 HydrophobicContact CD1-CG 4.2Å; F111-Y204 AromaticContact CD1-CZ 3.98Å; F111-Y204 HydrophobicContact CE1-CD1 4.22Å; F111-Y204 AromaticContact CE1-CE1 3.83Å; F111-Y204 HydrophobicContact CE1-CE1 3.83Å; F111-Y204 AromaticContact CG-CD1 3.97Å; F111-Y204 HydrophobicContact CG-CD1 3.97Å; F111-Y204 HydrophobicContact CG-CE1 4.26Å; F111-Y204 HydrophobicContact CG-CG 4.42Å; P182-Y204 HydrophobicContact CB-CD2 4.08Å; P182-Y204 HydrophobicContact CB-CE2 3.69Å; P182-Y204 HydrophobicContact CG-CD2 3.76Å; P182-Y204 HydrophobicContact CG-CE2 3.33Å; Y204-F206 HydrophobicContact CD1-CD2 4.18Å; Y204-F206 HydrophobicContact CD1-CE2 4.3Å; Y204-F206 HydrophobicContact CE1-CD1 4.49Å; Y204-F206 AromaticContact CE1-CD2 3.48Å; Y204-F206 HydrophobicContact CE1-CD2 3.48Å; Y204-F206 VanDerWaalsContact CE1-CD2 3.48Å; Y204-F206 AromaticContact CE1-CE2 3.59Å; Y204-F206 HydrophobicContact CE1-CE2 3.59Å; Y204-F206 AromaticContact CE1-CG 3.96Å; Y204-F206 HydrophobicContact CE1-CG 3.96Å; Y204-F206 HydrophobicContact CE1-CZ 4.2Å; Y204-T213 CarbonylContact O-C 3.46Å; Y204-T213 WeakPolarHBondContact O-CA 3.43Å; Y204-L214 PolarHBondContact N-O 2.87Å; Y204-L214 PolarHBondContact O-N 3.25Å
205K93.5Very high92.6Very high86 Ų8634.7 Ų34.737%0.37420%0.199SC..EExtended strand (participates in β ladder)trans-115.9129.1174.7-168.4167.2-175.41720108.2
206F91.2Very high92.8Very high28 Ų2834.4 Ų34.412%0.12320%0.197CC..  trans-61.6138.4176.6-94.6-97.5000109.8L82 E83 F111 Y204 S208 G211 G212L82-F206 HydrophobicContact CB-CD2 4.07Å; L82-F206 HydrophobicContact CB-CE2 3.43Å; L82-F206 VanDerWaalsContact CB-CE2 3.43Å; L82-F206 HydrophobicContact CB-CZ 4.13Å; L82-F206 HydrophobicContact CD1-CE2 4.29Å; L82-F206 HydrophobicContact CG-CE2 4.41Å; E83-F206 HydrophobicContact CB-CE1 4.4Å; E83-F206 HydrophobicContact CG-CD1 4.33Å; E83-F206 HydrophobicContact CG-CE1 3.47Å; E83-F206 VanDerWaalsContact CG-CE1 3.47Å; E83-F206 HydrophobicContact CG-CZ 3.68Å; F111-F206 HydrophobicContact CD1-CE2 4.4Å; F111-F206 AromaticContact CE1-CE2 3.62Å; F111-F206 HydrophobicContact CE1-CE2 3.62Å; F111-F206 AromaticContact CE1-CZ 3.56Å; F111-F206 HydrophobicContact CE1-CZ 3.56Å; F111-F206 HydrophobicContact CZ-CE2 4.21Å; F111-F206 HydrophobicContact CZ-CZ 4.18Å; Y204-F206 HydrophobicContact CD1-CD2 4.18Å; Y204-F206 HydrophobicContact CD1-CE2 4.3Å; Y204-F206 HydrophobicContact CE1-CD1 4.49Å; Y204-F206 AromaticContact CE1-CD2 3.48Å; Y204-F206 HydrophobicContact CE1-CD2 3.48Å; Y204-F206 VanDerWaalsContact CE1-CD2 3.48Å; Y204-F206 AromaticContact CE1-CE2 3.59Å; Y204-F206 HydrophobicContact CE1-CE2 3.59Å; Y204-F206 AromaticContact CE1-CG 3.96Å; Y204-F206 HydrophobicContact CE1-CG 3.96Å; Y204-F206 HydrophobicContact CE1-CZ 4.2Å; F206-S208 PolarHBondContact O-N 2.91Å; F206-G211 VanDerWaalsContact CB-CA 3.4Å; F206-G212 PolarHBondContact N-O 2.88Å
207P85Confident93.2Very high116 Ų11631.8 Ų31.875%0.75318%0.183SC*.SBendtrans-71.1-18.8-176.427.4-34.9000113.3
208S83.5Confident93.3Very high68 Ų6829.8 Ų29.848%0.47617%0.173SC..SBendtrans-67.6146.4176.9-57.90000111F206 N210 G211F206-S208 PolarHBondContact O-N 2.91Å; S208-N210 PolarHBondContact O-N 2.62Å; S208-G211 WeakPolarHBondContact O-CA 3.05Å; S208-G211 PolarHBondContact O-N 3.38Å
209P77.5Confident93.5Very high124 Ų12428.9 Ų28.981%0.80517%0.169SC*.THydrogen-bonded Turntrans-60.5-30.6-179.522.4-32.8000113.1G211P209-G211 VanDerWaalsContact C-N 3.33Å
210N80.9Confident93.5Very high127 Ų12728.7 Ų28.768%0.67917%0.168SC*.THydrogen-bonded Turntrans-98.921.1174.3-59.5-10.1000111.9T84 G85 S208T84-N210 CarbonylContact C-O 3.51Å; G85-N210 WeakPolarHBondContact CA-O 3.38Å; G85-N210 PolarHBondContact N-O 2.88Å; S208-N210 PolarHBondContact O-N 2.62Å
211G86.9Confident93.5Very high13 Ų1329.1 Ų29.113%0.13417%0.172CC..  trans-76.7142.9-177.600000112.2F206 S208 P209F206-G211 VanDerWaalsContact CB-CA 3.4Å; S208-G211 WeakPolarHBondContact O-CA 3.05Å; S208-G211 PolarHBondContact O-N 3.38Å; P209-G211 VanDerWaalsContact C-N 3.33Å
212G92.4Very high93.4Very high1 Ų129 Ų291%0.0117%0.171CC..  trans-78.8176.117800000113.8L82 G86 F206L82-G212 VanDerWaalsContact O-CA 3.23Å; L82-G212 WeakPolarHBondContact O-CA 3.34Å; L82-G212 PolarHBondContact O-N 2.81Å; G86-G212 WeakPolarHBondContact O-CA 3.48Å; F206-G212 PolarHBondContact N-O 2.88Å
213T95.7Very high93.4Very high8 Ų829.1 Ų29.15%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-125.6131.5-179.2-51.60000110.7G86 S87 L88 Y204 Y243 L244G86-T213 PolarHBondContact O-N 2.87Å; S87-T213 CarbonylContact C-O 3.51Å; S87-T213 WeakPolarHBondContact CA-O 3.39Å; L88-T213 PolarHBondContact N-O 3.14Å; Y204-T213 CarbonylContact O-C 3.46Å; Y204-T213 WeakPolarHBondContact O-CA 3.43Å; T213-Y243 HydrophobicContact CG2-CD1 3.78Å; T213-Y243 HydrophobicContact CG2-CE1 3.39Å; T213-L244 HydrophobicContact CG2-CD2 3.77Å; T213-L244 WeakPolarHBondContact O-CD2 3.34Å
214L97.5Very high93.4Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-106.8133.9172.8167.562.9000109.2L82 L88 V90 L108 F111 I113 V203 Y204 V216L82-L214 HydrophobicContact CD2-CB 4.48Å; L88-L214 HydrophobicContact CB-CD1 4Å; L88-L214 HydrophobicContact CD2-CD1 3.87Å; L88-L214 HydrophobicContact CG-CD1 3.83Å; L88-L214 CarbonylContact O-C 3.6Å; L88-L214 WeakPolarHBondContact O-CA 3.48Å; V90-L214 HydrophobicContact CG2-CD1 4.08Å; L108-L214 HydrophobicContact CD2-CD1 4.22Å; L108-L214 HydrophobicContact CD2-CD2 4.03Å; F111-L214 HydrophobicContact CB-CD2 3.92Å; F111-L214 HydrophobicContact CD2-CD2 3.63Å; F111-L214 HydrophobicContact CE2-CD2 4.41Å; F111-L214 HydrophobicContact CG-CD2 3.9Å; I113-L214 HydrophobicContact CD1-CD2 4.21Å; I113-L214 HydrophobicContact CD1-CG 4.48Å; V203-L214 CarbonylContact C-O 3.42Å; V203-L214 WeakPolarHBondContact CA-O 3.35Å; V203-L214 WeakPolarHBondContact CB-O 3.24Å; Y204-L214 PolarHBondContact N-O 2.87Å; Y204-L214 PolarHBondContact O-N 3.25Å; L214-V216 HydrophobicContact CD1-CG2 3.93Å; L214-V216 HydrophobicContact CD2-CG2 4.39Å; L214-V216 HydrophobicContact CG-CG2 4.11Å
215A98.4Very high93.5Very high0 Ų029.8 Ų29.80%018%0.178CC..EExtended strand (participates in β ladder)trans-125138.516500000110.2L88 L89 V90 A202 V203 L240 L244L88-A215 PolarHBondContact O-N 2.92Å; L89-A215 CarbonylContact C-O 3.44Å; L89-A215 WeakPolarHBondContact CA-O 3.47Å; L89-A215 HydrophobicContact CD1-CB 3.84Å; V90-A215 PolarHBondContact N-O 2.91Å; A202-A215 CarbonylContact O-C 3.52Å; A202-A215 WeakPolarHBondContact O-CA 3.38Å; V203-A215 HydrophobicContact CG1-CB 3.89Å; A215-L240 HydrophobicContact CB-CD2 4.41Å; A215-L244 HydrophobicContact CB-CD1 3.99Å; A215-L244 HydrophobicContact CB-CD2 3.89Å; A215-L244 HydrophobicContact CB-CG 4.24Å
216V98.7Very high93.7Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-126.1127.4177.7-175.40000108.8V90 L108 I113 V115 L177 C201 A202 L214V90-V216 HydrophobicContact CB-CG1 4.47Å; V90-V216 HydrophobicContact CB-CG2 4.28Å; V90-V216 CarbonylContact O-C 3.59Å; V90-V216 VanDerWaalsContact O-CA 3.31Å; V90-V216 WeakPolarHBondContact O-CA 3.48Å; L108-V216 HydrophobicContact CD1-CG1 4.01Å; L108-V216 HydrophobicContact CD1-CG2 4.11Å; L108-V216 HydrophobicContact CD2-CG2 3.64Å; L108-V216 HydrophobicContact CG-CG2 4.45Å; I113-V216 HydrophobicContact CB-CG2 4.43Å; I113-V216 HydrophobicContact CD1-CB 4.41Å; I113-V216 HydrophobicContact CD1-CG2 3.81Å; I113-V216 HydrophobicContact CG2-CB 3.92Å; I113-V216 HydrophobicContact CG2-CG1 4.1Å; I113-V216 HydrophobicContact CG2-CG2 3.88Å; V115-V216 HydrophobicContact CG2-CG1 4.03Å; L177-V216 HydrophobicContact CD1-CG1 4.34Å; L177-V216 HydrophobicContact CD2-CG1 4.33Å; C201-V216 CarbonylContact C-O 3.45Å; C201-V216 VanDerWaalsContact CA-O 3.28Å; C201-V216 WeakPolarHBondContact CA-O 3.42Å; A202-V216 PolarHBondContact N-O 3.43Å; A202-V216 PolarHBondContact O-N 2.74Å; L214-V216 HydrophobicContact CD1-CG2 3.93Å; L214-V216 HydrophobicContact CD2-CG2 4.39Å; L214-V216 HydrophobicContact CG-CG2 4.11Å
217V98.7Very high94Very high2 Ų229.6 Ų29.61%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-123.3125.3174.6-171.90000109L89 V90 L91 M92 Y171 C201 S219 M222 F223 L240L89-V217 HydrophobicContact CD1-CG2 4.44Å; V90-V217 PolarHBondContact O-N 3.31Å; L91-V217 WeakPolarHBondContact CA-O 3.41Å; L91-V217 HydrophobicContact CD2-CB 3.77Å; L91-V217 HydrophobicContact CD2-CG2 4.04Å; M92-V217 PolarHBondContact N-O 3.11Å; Y171-V217 HydrophobicContact CE2-CG1 4.23Å; C201-V217 HydrophobicContact CB-CG2 4.36Å; V217-S219 PolarHBondContact O-N 2.95Å; V217-M222 HydrophobicContact CG1-SD 4.29Å; V217-F223 HydrophobicContact CB-CE2 4.26Å; V217-F223 HydrophobicContact CG1-CE2 4.23Å; V217-F223 HydrophobicContact CG1-CZ 4.46Å; V217-F223 HydrophobicContact CG2-CE2 3.92Å; V217-F223 HydrophobicContact CG2-CZ 4.32Å; V217-L240 HydrophobicContact CG2-CD1 3.71Å
218G97.8Very high94.6Very high0 Ų024.2 Ų24.20%015%0.15CC..SBendtrans-72.66.5-178.800000115M92 G93 Y171 G174 A175 V200M92-G218 CarbonylContact C-O 3.52Å; M92-G218 CarbonylContact O-C 3.47Å; G93-G218 VanDerWaalsContact CA-O 3.3Å; G93-G218 WeakPolarHBondContact CA-O 3.4Å; Y171-G218 WeakPolarHBondContact OH-CA 3.24Å; Y171-G218 PolarHBondContact OH-N 2.8Å; Y171-G218 PolarHBondContact OH-O 2.85Å; G174-G218 CarbonylContact C-O 3.31Å; G174-G218 WeakPolarHBondContact CA-O 3.35Å; A175-G218 PolarHBondContact N-O 2.83Å; V200-G218 PolarHBondContact O-N 3.35Å
219S98.3Very high95.3Very high0 Ų028.2 Ų28.20%016%0.159CC..  trans-140.2106.5174.6177.50000111.9M92 Y171 P172 V217 A221 M222M92-S219 CarbonylContact O-C 3.6Å; M92-S219 VanDerWaalsContact O-C 3.31Å; M92-S219 VanDerWaalsContact O-CA 3.22Å; M92-S219 WeakPolarHBondContact O-CA 3.25Å; M92-S219 PolarHBondContact O-N 2.84Å; Y171-S219 PolarHBondContact OH-N 2.63Å; P172-S219 PolarHBondContact O-OG 2.72Å; V217-S219 PolarHBondContact O-N 2.95Å; S219-A221 VanDerWaalsContact C-N 3.32Å; S219-A221 PolarHBondContact OG-N 3.06Å; S219-M222 VanDerWaalsContact O-CB 3.32Å; S219-M222 WeakPolarHBondContact O-CB 3.36Å; S219-M222 PolarHBondContact OG-N 3.31Å
220A97.8Very high96.2Very high0 Ų025.5 Ų25.50%013%0.134CC..SBendtrans-70.8-32.9168.700000111F24 L91 M92 M222 F223 S224F24-A220 HydrophobicContact CB-CB 4.4Å; F24-A220 HydrophobicContact CD1-CB 4.07Å; F24-A220 HydrophobicContact CD2-CB 3.56Å; F24-A220 HydrophobicContact CE1-CB 4.23Å; F24-A220 HydrophobicContact CE2-CB 3.76Å; F24-A220 HydrophobicContact CG-CB 3.74Å; F24-A220 HydrophobicContact CZ-CB 4.08Å; L91-A220 HydrophobicContact CB-CB 3.69Å; M92-A220 PolarHBondContact O-N 3.19Å; A220-M222 PolarHBondContact O-N 3.05Å; A220-F223 PolarHBondContact O-N 3.47Å; A220-F223 VanDerWaalsContact O-N 3.16Å; A220-S224 PolarHBondContact O-N 2.91Å
221A97.9Very high96.9Very high8 Ų821.8 Ų21.87%0.06611%0.113CC..G310 helixtrans-60.6-32.6177.100000111.7F24 P172 Y173 S219 F223 S224 Y227F24-A221 HydrophobicContact CE1-CB 4.15Å; F24-A221 HydrophobicContact CZ-CB 4.12Å; P172-A221 HydrophobicContact CB-CB 4.3Å; P172-A221 HydrophobicContact CG-CB 3.77Å; Y173-A221 HydrophobicContact CD2-CB 4.46Å; S219-A221 VanDerWaalsContact C-N 3.32Å; S219-A221 PolarHBondContact OG-N 3.06Å; A221-F223 PolarHBondContact O-N 3.22Å; A221-F223 VanDerWaalsContact O-N 3.11Å; A221-S224 WeakPolarHBondContact O-CB 3.47Å; A221-S224 PolarHBondContact O-N 3.35Å; A221-S224 PolarHBondContact O-OG 2.97Å; A221-Y227 HydrophobicContact CB-CD2 4.44Å; A221-Y227 HydrophobicContact CB-CE2 4.45Å; A221-Y227 WeakPolarHBondContact O-CB 3.43Å; A221-Y227 WeakPolarHBondContact O-CD2 3.3Å
222M97.9Very high97.4Very high0 Ų022.4 Ų22.40%011%0.113CC..G310 helixtrans-50.4-36.9175.2-175.3176.1179.300113.3F169 Y171 V217 S219 A220 N233 I236F169-M222 HydrophobicContact CB-CE 3.9Å; F169-M222 HydrophobicContact CD2-CE 3.54Å; F169-M222 HydrophobicContact CD2-SD 4.36Å; F169-M222 HydrophobicContact CE2-CE 4.33Å; F169-M222 HydrophobicContact CG-CE 3.94Å; Y171-M222 HydrophobicContact CD2-SD 3.78Å; Y171-M222 HydrophobicContact CE2-SD 4.23Å; V217-M222 HydrophobicContact CG1-SD 4.29Å; S219-M222 VanDerWaalsContact O-CB 3.32Å; S219-M222 WeakPolarHBondContact O-CB 3.36Å; S219-M222 PolarHBondContact OG-N 3.31Å; A220-M222 PolarHBondContact O-N 3.05Å; M222-N233 WeakPolarHBondContact CG-ND2 3.33Å; M222-N233 PolarHBondContact O-ND2 3.34Å; M222-I236 HydrophobicContact CE-CB 4.07Å; M222-I236 HydrophobicContact CE-CD1 3.44Å; M222-I236 VanDerWaalsContact CE-CD1 3.44Å; M222-I236 HydrophobicContact CE-CG1 4.35Å; M222-I236 HydrophobicContact CE-CG2 3.84Å
223F98.3Very high97.7Very high1 Ų122.4 Ų22.40%0.00411%0.112CC..G310 helixtrans-100.9-0-178.6-59.9-36.5000113.8F30 I33 L91 V217 A220 A221 I228 I236 F237 L240F30-F223 WeakPolarHBondContact CD1-O 3.31Å; F30-F223 HydrophobicContact CE1-CB 4.04Å; I33-F223 HydrophobicContact CD1-CB 3.78Å; I33-F223 WeakPolarHBondContact CD1-O 3.33Å; L91-F223 HydrophobicContact CD1-CD2 4.02Å; L91-F223 HydrophobicContact CD2-CD2 3.72Å; L91-F223 HydrophobicContact CD2-CE2 3.75Å; V217-F223 HydrophobicContact CB-CE2 4.26Å; V217-F223 HydrophobicContact CG1-CE2 4.23Å; V217-F223 HydrophobicContact CG1-CZ 4.46Å; V217-F223 HydrophobicContact CG2-CE2 3.92Å; V217-F223 HydrophobicContact CG2-CZ 4.32Å; A220-F223 PolarHBondContact O-N 3.47Å; A220-F223 VanDerWaalsContact O-N 3.16Å; A221-F223 PolarHBondContact O-N 3.22Å; A221-F223 VanDerWaalsContact O-N 3.11Å; F223-I228 HydrophobicContact CB-CD1 4.46Å; F223-I228 HydrophobicContact CD1-CD1 4.01Å; F223-I236 HydrophobicContact CE1-CG2 4.14Å; F223-I236 HydrophobicContact CZ-CG2 4.09Å; F223-F237 HydrophobicContact CD1-CB 3.88Å; F223-F237 HydrophobicContact CD1-CD2 4.23Å; F223-F237 HydrophobicContact CD2-CD2 4.31Å; F223-F237 HydrophobicContact CE1-CB 3.84Å; F223-F237 HydrophobicContact CG-CD2 4.14Å; F223-L240 HydrophobicContact CE2-CD1 4.18Å; F223-L240 HydrophobicContact CZ-CD1 3.81Å
224S98Very high97.7Very high6 Ų625.2 Ų25.24%0.04212%0.124CC..SBendtrans-74.5159176.768.20000112.2H29 A220 A221 P226 Y227 I228H29-S224 CarbonylContact O-C 3.59Å; H29-S224 WeakPolarHBondContact O-CA 3.48Å; H29-S224 WeakPolarHBondContact O-CB 3.32Å; A220-S224 PolarHBondContact O-N 2.91Å; A221-S224 WeakPolarHBondContact O-CB 3.47Å; A221-S224 PolarHBondContact O-N 3.35Å; A221-S224 PolarHBondContact O-OG 2.97Å; S224-P226 VanDerWaalsContact C-N 3.32Å; S224-P226 VanDerWaalsContact O-N 3.13Å; S224-Y227 PolarHBondContact O-N 3.1Å; S224-Y227 WeakPolarHBondContact OG-CD2 3.43Å; S224-I228 PolarHBondContact O-N 3.49Å
225D98.1Very high97.7Very high38 Ų3828.7 Ų28.720%0.20314%0.139CC..Hα-helixtrans-49.7-39.1-174.3-64.3-26.8000114.7H29 T31 E32 Y227H29-D225 VanDerWaalsContact O-CG 3.29Å; H29-D225 PolarHBondContact O-N 3.26Å; T31-D225 WeakPolarHBondContact CB-OD2 3.49Å; T31-D225 PolarHBondContact N-OD1 2.83Å; T31-D225 PolarHBondContact N-OD2 3.16Å; T31-D225 VanDerWaalsContact N-OD2 3.09Å; T31-D225 VanDerWaalsContact OG1-CG 3.27Å; T31-D225 PolarHBondContact OG1-OD1 3.18Å; T31-D225 PolarHBondContact OG1-OD2 3.12Å; E32-D225 WeakPolarHBondContact CB-OD1 3.46Å; E32-D225 HydrophobicContact CG-CB 4.43Å; E32-D225 PolarHBondContact N-OD1 3.28Å; D225-Y227 PolarHBondContact O-N 3.18Å
226P96.7Very high97.6Very high84 Ų8428.9 Ų28.955%0.54514%0.14SC..Hα-helixtrans-67.2-18.8177.2-21.233.8000115.2S224 K230S224-P226 VanDerWaalsContact C-N 3.32Å; S224-P226 VanDerWaalsContact O-N 3.13Å; P226-K230 WeakPolarHBondContact O-CD 3.33Å; P226-K230 WeakPolarHBondContact O-CE 3.38Å
227Y98.2Very high97.5Very high25 Ų2529.4 Ų29.410%0.09814%0.143CC..Hα-helixtrans-124-23.5-169.5-58.3-77.7000114.2E133 L170 P172 Y173 A221 S224 D225 K229 K230 N233E133-Y227 HydrophobicContact CG-CE1 4.16Å; E133-Y227 WeakPolarHBondContact OE1-CE1 3.27Å; E133-Y227 PolarHBondContact OE1-OH 3.5Å; L170-Y227 HydrophobicContact CD2-CD1 3.56Å; L170-Y227 HydrophobicContact CD2-CE1 4.04Å; L170-Y227 HydrophobicContact CG-CD1 4.34Å; P172-Y227 HydrophobicContact CB-CD1 4.02Å; P172-Y227 HydrophobicContact CB-CD2 4.33Å; P172-Y227 HydrophobicContact CB-CE1 3.79Å; P172-Y227 HydrophobicContact CB-CE2 4.1Å; P172-Y227 HydrophobicContact CB-CG 4.3Å; P172-Y227 HydrophobicContact CG-CD1 3.81Å; P172-Y227 HydrophobicContact CG-CD2 3.81Å; P172-Y227 HydrophobicContact CG-CE1 4.09Å; P172-Y227 HydrophobicContact CG-CE2 4.07Å; P172-Y227 HydrophobicContact CG-CG 3.68Å; Y173-Y227 WeakPolarHBondContact CE2-OH 3.47Å; A221-Y227 HydrophobicContact CB-CD2 4.44Å; A221-Y227 HydrophobicContact CB-CE2 4.45Å; A221-Y227 WeakPolarHBondContact O-CB 3.43Å; A221-Y227 WeakPolarHBondContact O-CD2 3.3Å; S224-Y227 PolarHBondContact O-N 3.1Å; S224-Y227 WeakPolarHBondContact OG-CD2 3.43Å; D225-Y227 PolarHBondContact O-N 3.18Å; Y227-K229 PolarHBondContact O-N 2.95Å; Y227-K229 VanDerWaalsContact O-N 3.14Å; Y227-K230 HydrophobicContact CD1-CD 3.98Å; Y227-K230 WeakPolarHBondContact O-CB 3.29Å; Y227-K230 PolarHBondContact O-N 3.36Å; Y227-N233 PolarHBondContact O-ND2 3.28Å
228I98.1Very high97.3Very high3 Ų331.1 Ų31.12%0.01515%0.15CC..Hα-helixtrans-57.5-34.3-176.6-172.762000112.8E32 I33 F223 S224 F234 F237E32-I228 HydrophobicContact CB-CG2 4.1Å; I33-I228 HydrophobicContact CD1-CD1 4.04Å; I33-I228 HydrophobicContact CD1-CG1 4.31Å; I33-I228 HydrophobicContact CG1-CD1 4.23Å; I33-I228 HydrophobicContact CG1-CG1 4.07Å; F223-I228 HydrophobicContact CB-CD1 4.46Å; F223-I228 HydrophobicContact CD1-CD1 4.01Å; S224-I228 PolarHBondContact O-N 3.49Å; I228-F234 HydrophobicContact CD1-CB 4.3Å; I228-F234 HydrophobicContact CD1-CD2 4.19Å; I228-F234 HydrophobicContact CG1-CB 4.4Å; I228-F234 HydrophobicContact CG1-CD2 4.03Å; I228-F234 WeakPolarHBondContact O-CB 3.37Å; I228-F234 PolarHBondContact O-N 2.75Å; I228-F237 HydrophobicContact CD1-CB 3.91Å; I228-F237 HydrophobicContact CD1-CG 4.34Å
229K97.3Very high97.3Very high153 Ų15331.2 Ų31.267%0.66515%0.151SC*.THydrogen-bonded Turntrans-87.8-0.6177.4-64.9-176.1-178.4173.80114.4E32 Y227E32-K229 WeakPolarHBondContact OE2-CE 3.18Å; E32-K229 IonicContact OE2-NZ 2.77Å; E32-K229 PolarHBondContact OE2-NZ 3.23Å; Y227-K229 PolarHBondContact O-N 2.95Å; Y227-K229 VanDerWaalsContact O-N 3.14Å
230K97.2Very high97.2Very high66 Ų6631.4 Ų31.429%0.28715%0.152SC..SBendtrans-89.7136.7178.8-67.2-178.1175.9170.70109.8Y128 L170 P226 Y227 N233Y128-K230 HydrophobicContact CE1-CD 3.95Å; L170-K230 HydrophobicContact CD2-CB 4.15Å; L170-K230 HydrophobicContact CD2-CD 3.56Å; P226-K230 WeakPolarHBondContact O-CD 3.33Å; P226-K230 WeakPolarHBondContact O-CE 3.38Å; Y227-K230 HydrophobicContact CD1-CD 3.98Å; Y227-K230 WeakPolarHBondContact O-CB 3.29Å; Y227-K230 PolarHBondContact O-N 3.36Å; K230-N233 WeakPolarHBondContact O-CB 3.4Å; K230-N233 PolarHBondContact O-N 2.82Å
231E95.3Very high97.1Very high50 Ų5032 Ų3223%0.23415%0.154CC..THydrogen-bonded Turntrans52.7-138.6179.4-42.5-61.8156.800111.5K127 Y128 L135 Q168 L170K127-E231 VanDerWaalsContact CE-OE1 3.25Å; K127-E231 WeakPolarHBondContact CE-OE1 3.36Å; K127-E231 VanDerWaalsContact NZ-CD 3.35Å; K127-E231 IonicContact NZ-OE1 3.81Å; K127-E231 PolarHBondContact NZ-OE1 2.92Å; K127-E231 IonicContact NZ-OE2 3.81Å; K127-E231 PolarHBondContact NZ-OE2 2.91Å; Y128-E231 WeakPolarHBondContact CE2-OE1 3.45Å; Y128-E231 PolarHBondContact OH-OE1 3.09Å; L135-E231 HydrophobicContact CD1-CG 3.61Å; Q168-E231 PolarHBondContact NE2-OE2 3.17Å; Q168-E231 VanDerWaalsContact O-CB 3.27Å; Q168-E231 WeakPolarHBondContact O-CB 3.27Å; L170-E231 HydrophobicContact CB-CG 4.12Å
232D96.6Very high96.9Very high26 Ų2635.3 Ų35.314%0.13917%0.165CC..THydrogen-bonded Turntrans-96.621.4175.1-69.8-40.8000113.5K151 L167 Q168 F234 K235 I236K151-D232 IonicContact NZ-OD1 3.58Å; K151-D232 IonicContact NZ-OD2 2.91Å; K151-D232 PolarHBondContact NZ-OD2 2.58Å; K151-D232 VanDerWaalsContact NZ-OD2 3.07Å; L167-D232 HydrophobicContact CB-CB 4.31Å; L167-D232 HydrophobicContact CD2-CB 3.94Å; L167-D232 WeakPolarHBondContact CD2-OD2 3.28Å; Q168-D232 VanDerWaalsContact O-CB 3.28Å; Q168-D232 WeakPolarHBondContact O-CB 3.46Å; Q168-D232 PolarHBondContact O-N 2.9Å; D232-F234 VanDerWaalsContact C-N 3.3Å; D232-F234 PolarHBondContact O-N 3.48Å; D232-K235 HydrophobicContact CB-CB 4.35Å; D232-K235 HydrophobicContact CB-CD 4.22Å; D232-K235 WeakPolarHBondContact O-CB 3.27Å; D232-K235 PolarHBondContact O-N 3.15Å; D232-K235 WeakPolarHBondContact OD1-CD 3.44Å; D232-K235 WeakPolarHBondContact OD1-CE 3.27Å; D232-K235 IonicContact OD1-NZ 2.91Å; D232-K235 PolarHBondContact OD1-NZ 2.88Å; D232-I236 PolarHBondContact O-N 3.22Å
233N98.3Very high96.8Very high0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-56.5-41.8-179.2-76.817.7000112.9F169 L170 M222 Y227 K230 K235 I236 F237F169-N233 WeakPolarHBondContact CA-OD1 3.49Å; F169-N233 WeakPolarHBondContact CB-OD1 3.36Å; L170-N233 PolarHBondContact N-OD1 3.49Å; L170-N233 PolarHBondContact O-ND2 2.94Å; L170-N233 PolarHBondContact O-OD1 3.38Å; M222-N233 WeakPolarHBondContact CG-ND2 3.33Å; M222-N233 PolarHBondContact O-ND2 3.34Å; Y227-N233 PolarHBondContact O-ND2 3.28Å; K230-N233 WeakPolarHBondContact O-CB 3.4Å; K230-N233 PolarHBondContact O-N 2.82Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 2.68Å; N233-I236 PolarHBondContact O-N 3.29Å; N233-F237 PolarHBondContact O-N 3.21Å
234F97.5Very high96.6Very high68 Ų6836.1 Ų36.130%0.29817%0.169SC..Hα-helixtrans-62.3-37.4176.2-178.2-104.9000112.6Y36 I228 D232 F237 E238Y36-F234 HydrophobicContact CD1-CE2 4.07Å; Y36-F234 HydrophobicContact CD1-CZ 4.17Å; Y36-F234 HydrophobicContact CD2-CE2 4.15Å; Y36-F234 AromaticContact CD2-CZ 3.64Å; Y36-F234 HydrophobicContact CD2-CZ 3.64Å; Y36-F234 HydrophobicContact CE1-CE2 4.35Å; Y36-F234 HydrophobicContact CE1-CZ 4.13Å; Y36-F234 HydrophobicContact CE2-CE1 4.49Å; Y36-F234 HydrophobicContact CE2-CE2 4.42Å; Y36-F234 AromaticContact CE2-CZ 3.6Å; Y36-F234 HydrophobicContact CE2-CZ 3.6Å; Y36-F234 AromaticContact CG-CE2 3.95Å; Y36-F234 HydrophobicContact CG-CE2 3.95Å; Y36-F234 AromaticContact CG-CZ 3.92Å; Y36-F234 HydrophobicContact CG-CZ 3.92Å; Y36-F234 AromaticContact CZ-CZ 3.84Å; I228-F234 HydrophobicContact CD1-CB 4.3Å; I228-F234 HydrophobicContact CD1-CD2 4.19Å; I228-F234 HydrophobicContact CG1-CB 4.4Å; I228-F234 HydrophobicContact CG1-CD2 4.03Å; I228-F234 WeakPolarHBondContact O-CB 3.37Å; I228-F234 PolarHBondContact O-N 2.75Å; D232-F234 VanDerWaalsContact C-N 3.3Å; D232-F234 PolarHBondContact O-N 3.48Å; F234-F237 WeakPolarHBondContact O-CB 3.28Å; F234-F237 PolarHBondContact O-N 2.99Å; F234-E238 WeakPolarHBondContact O-CB 3.42Å; F234-E238 PolarHBondContact O-N 3.25Å
235K95.8Very high96.3Very high73 Ų7336.5 Ų36.532%0.31717%0.17SC..Hα-helixtrans-69.8-35.7178.1-62.8-178.4-172.7150.80111.8L149 L167 D232 N233 E238 F239L149-K235 HydrophobicContact CD1-CB 3.98Å; L167-K235 HydrophobicContact CD2-CD 4.33Å; D232-K235 HydrophobicContact CB-CB 4.35Å; D232-K235 HydrophobicContact CB-CD 4.22Å; D232-K235 WeakPolarHBondContact O-CB 3.27Å; D232-K235 PolarHBondContact O-N 3.15Å; D232-K235 WeakPolarHBondContact OD1-CD 3.44Å; D232-K235 WeakPolarHBondContact OD1-CE 3.27Å; D232-K235 IonicContact OD1-NZ 2.91Å; D232-K235 PolarHBondContact OD1-NZ 2.88Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 2.68Å; K235-E238 PolarHBondContact O-N 2.86Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 2.89Å
236I97Very high95.9Very high4 Ų438.6 Ų38.62%0.02118%0.179CC..Hα-helixtrans-64.1-44.3172.4-68.8173.5000110.2L167 F169 L187 M222 F223 D232 N233 F239 L240L167-I236 HydrophobicContact CD1-CG1 3.96Å; F169-I236 HydrophobicContact CB-CD1 3.31Å; F169-I236 HydrophobicContact CD1-CD1 3.57Å; F169-I236 HydrophobicContact CD2-CD1 4.15Å; F169-I236 HydrophobicContact CE1-CD1 4.39Å; F169-I236 HydrophobicContact CG-CD1 3.42Å; F169-I236 VanDerWaalsContact CG-CD1 3.42Å; L187-I236 HydrophobicContact CD1-CD1 3.98Å; L187-I236 HydrophobicContact CD1-CG2 3.82Å; M222-I236 HydrophobicContact CE-CB 4.07Å; M222-I236 HydrophobicContact CE-CD1 3.44Å; M222-I236 VanDerWaalsContact CE-CD1 3.44Å; M222-I236 HydrophobicContact CE-CG1 4.35Å; M222-I236 HydrophobicContact CE-CG2 3.84Å; F223-I236 HydrophobicContact CE1-CG2 4.14Å; F223-I236 HydrophobicContact CZ-CG2 4.09Å; D232-I236 PolarHBondContact O-N 3.22Å; N233-I236 PolarHBondContact O-N 3.29Å; I236-F239 PolarHBondContact O-N 2.8Å; I236-L240 HydrophobicContact CG2-CD1 4.18Å; I236-L240 WeakPolarHBondContact O-CG 3.48Å; I236-L240 PolarHBondContact O-N 2.91Å
237F97.3Very high95.1Very high11 Ų1141.8 Ų41.85%0.04819%0.187CC..Hα-helixtrans-59.4-47173.8177.6-95.3000111.5I33 Y36 L37 F223 I228 N233 F234 F239 L240 F241I33-F237 HydrophobicContact CB-CZ 4.49Å; I33-F237 HydrophobicContact CD1-CD2 3.83Å; I33-F237 HydrophobicContact CD1-CE1 4.46Å; I33-F237 HydrophobicContact CD1-CE2 3.77Å; I33-F237 HydrophobicContact CD1-CG 4.21Å; I33-F237 HydrophobicContact CD1-CZ 4.11Å; I33-F237 HydrophobicContact CG1-CD1 4.49Å; I33-F237 HydrophobicContact CG1-CE1 4.32Å; I33-F237 HydrophobicContact CG1-CE2 4.46Å; I33-F237 HydrophobicContact CG1-CZ 4.31Å; I33-F237 HydrophobicContact CG2-CE1 3.88Å; I33-F237 HydrophobicContact CG2-CE2 4.02Å; I33-F237 HydrophobicContact CG2-CZ 3.43Å; I33-F237 VanDerWaalsContact CG2-CZ 3.43Å; Y36-F237 HydrophobicContact CD1-CE1 4.24Å; Y36-F237 HydrophobicContact CE1-CE1 4.34Å; L37-F237 HydrophobicContact CD1-CZ 4.33Å; L37-F237 HydrophobicContact CD2-CE1 4.35Å; L37-F237 HydrophobicContact CD2-CZ 4.49Å; F223-F237 HydrophobicContact CD1-CB 3.88Å; F223-F237 HydrophobicContact CD1-CD2 4.23Å; F223-F237 HydrophobicContact CD2-CD2 4.31Å; F223-F237 HydrophobicContact CE1-CB 3.84Å; F223-F237 HydrophobicContact CG-CD2 4.14Å; I228-F237 HydrophobicContact CD1-CB 3.91Å; I228-F237 HydrophobicContact CD1-CG 4.34Å; N233-F237 PolarHBondContact O-N 3.21Å; F234-F237 WeakPolarHBondContact O-CB 3.28Å; F234-F237 PolarHBondContact O-N 2.99Å; F237-F239 PolarHBondContact O-N 3.07Å; F237-L240 PolarHBondContact O-N 2.71Å; F237-F241 HydrophobicContact CE1-CB 4.36Å; F237-F241 HydrophobicContact CZ-CD2 4.32Å; F237-F241 VanDerWaalsContact O-CB 3.24Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.44Å
238E95.1Very high94.3Very high37 Ų3744.9 Ų44.917%0.17321%0.212CC..Hα-helixtrans-58.9-45.9177.9-179176-156.100111.8L149 F234 K235 F241 R242L149-E238 HydrophobicContact CD2-CG 4.42Å; F234-E238 WeakPolarHBondContact O-CB 3.42Å; F234-E238 PolarHBondContact O-N 3.25Å; K235-E238 PolarHBondContact O-N 2.86Å; E238-F241 PolarHBondContact O-N 3.04Å; E238-R242 WeakPolarHBondContact O-CG 3.46Å; E238-R242 PolarHBondContact O-N 2.78Å; E238-R242 IonicContact OE1-CZ 3.22Å; E238-R242 IonicContact OE1-NE 3.07Å; E238-R242 IonicContact OE1-NH2 2.68Å; E238-R242 PolarHBondContact OE1-NH2 2.57Å
239F95.8Very high93.8Very high3 Ų345.1 Ų45.11%0.01321%0.213CC..Hα-helixtrans-59.4-51.5175.3168.3-94.2000111.7I145 T148 L149 L186 K235 I236 F237 F241 R242 Y243 V249 L251I145-F239 HydrophobicContact CB-CD2 4.29Å; I145-F239 HydrophobicContact CB-CE2 4.26Å; I145-F239 HydrophobicContact CB-CG 4.45Å; I145-F239 HydrophobicContact CB-CZ 4.42Å; I145-F239 HydrophobicContact CD1-CE1 4.27Å; I145-F239 HydrophobicContact CG1-CD1 4.18Å; I145-F239 HydrophobicContact CG1-CD2 4.46Å; I145-F239 HydrophobicContact CG1-CE1 3.8Å; I145-F239 HydrophobicContact CG1-CE2 4.08Å; I145-F239 HydrophobicContact CG1-CZ 3.74Å; I145-F239 HydrophobicContact CG2-CB 4.28Å; I145-F239 HydrophobicContact CG2-CD1 4.03Å; I145-F239 HydrophobicContact CG2-CD2 4.03Å; I145-F239 HydrophobicContact CG2-CE1 4.5Å; I145-F239 HydrophobicContact CG2-CE2 4.47Å; I145-F239 HydrophobicContact CG2-CG 3.8Å; T148-F239 HydrophobicContact CG2-CD2 4Å; T148-F239 HydrophobicContact CG2-CE2 4.32Å; L149-F239 HydrophobicContact CD1-CB 4.2Å; L149-F239 HydrophobicContact CD2-CB 4.22Å; L149-F239 HydrophobicContact CG-CB 4.27Å; L186-F239 HydrophobicContact CD1-CE1 3.8Å; L186-F239 HydrophobicContact CD1-CZ 4.44Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 2.89Å; I236-F239 PolarHBondContact O-N 2.8Å; F237-F239 PolarHBondContact O-N 3.07Å; F239-F241 VanDerWaalsContact C-N 3.27Å; F239-F241 PolarHBondContact O-N 3.36Å; F239-R242 PolarHBondContact O-N 2.94Å; F239-Y243 HydrophobicContact CZ-CD2 4.3Å; F239-Y243 HydrophobicContact CZ-CG 4.37Å; F239-Y243 WeakPolarHBondContact O-CB 3.31Å; F239-Y243 PolarHBondContact O-N 3.04Å; F239-V249 HydrophobicContact CE2-CG1 3.9Å; F239-V249 HydrophobicContact CZ-CG1 4.49Å; F239-L251 HydrophobicContact CZ-CD2 3.89Å
240L97.2Very high93.4Very high3 Ų342.8 Ų42.82%0.01621%0.212CC..Hα-helixtrans-62-39.8-179.7-72.4176.6000111.3L186 V203 A215 V217 F223 I236 F237 Y243 L244L186-L240 HydrophobicContact CD1-CD2 4.2Å; V203-L240 HydrophobicContact CG1-CD2 4.43Å; A215-L240 HydrophobicContact CB-CD2 4.41Å; V217-L240 HydrophobicContact CG2-CD1 3.71Å; F223-L240 HydrophobicContact CE2-CD1 4.18Å; F223-L240 HydrophobicContact CZ-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CD1 4.18Å; I236-L240 WeakPolarHBondContact O-CG 3.48Å; I236-L240 PolarHBondContact O-N 2.91Å; F237-L240 PolarHBondContact O-N 2.71Å; L240-Y243 PolarHBondContact O-N 2.89Å; L240-L244 WeakPolarHBondContact O-CB 3.36Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 WeakPolarHBondContact O-CG 3.07Å; L240-L244 PolarHBondContact O-N 3.34Å
241F95.7Very high93.1Very high13 Ų1341 Ų416%0.05721%0.205CC..Hα-helixtrans-59.9-52.9176.5-173.3-99.7000110.7V14 L37 W41 L60 F237 E238 F239 Y243 L244 T245V14-F241 HydrophobicContact CG2-CE2 3.86Å; V14-F241 HydrophobicContact CG2-CZ 4.14Å; L37-F241 HydrophobicContact CD1-CE2 4.4Å; L37-F241 HydrophobicContact CD2-CD1 4.33Å; L37-F241 HydrophobicContact CD2-CD2 3.9Å; L37-F241 HydrophobicContact CD2-CE1 3.93Å; L37-F241 HydrophobicContact CD2-CE2 3.46Å; L37-F241 VanDerWaalsContact CD2-CE2 3.46Å; L37-F241 HydrophobicContact CD2-CG 4.31Å; L37-F241 HydrophobicContact CD2-CZ 3.47Å; L37-F241 VanDerWaalsContact CD2-CZ 3.47Å; W41-F241 AromaticContact CD1-CZ 3.83Å; W41-F241 HydrophobicContact CD2-CE1 4.3Å; W41-F241 AromaticContact CD2-CZ 3.67Å; W41-F241 HydrophobicContact CD2-CZ 3.67Å; W41-F241 AromaticContact CE2-CE1 3.67Å; W41-F241 AromaticContact CE2-CZ 3.51Å; W41-F241 HydrophobicContact CE3-CZ 4.2Å; W41-F241 AromaticContact CG-CZ 3.95Å; W41-F241 HydrophobicContact CG-CZ 3.95Å; W41-F241 HydrophobicContact CZ2-CE1 4.01Å; W41-F241 AromaticContact CZ2-CZ 3.99Å; W41-F241 HydrophobicContact CZ2-CZ 3.99Å; W41-F241 AromaticContact NE1-CE1 3.48Å; W41-F241 AromaticContact NE1-CZ 3.61Å; L60-F241 HydrophobicContact CD2-CD2 3.79Å; L60-F241 HydrophobicContact CD2-CE2 3.77Å; F237-F241 HydrophobicContact CE1-CB 4.36Å; F237-F241 HydrophobicContact CZ-CD2 4.32Å; F237-F241 VanDerWaalsContact O-CB 3.24Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.44Å; E238-F241 PolarHBondContact O-N 3.04Å; F239-F241 VanDerWaalsContact C-N 3.27Å; F239-F241 PolarHBondContact O-N 3.36Å; F241-Y243 PolarHBondContact O-N 3.49Å; F241-L244 PolarHBondContact O-N 3.02Å; F241-L244 VanDerWaalsContact O-N 3.15Å; F241-T245 HydrophobicContact CD1-CG2 4.48Å; F241-T245 HydrophobicContact CD2-CG2 4.41Å; F241-T245 HydrophobicContact CE1-CG2 4.1Å; F241-T245 HydrophobicContact CE2-CG2 4.02Å; F241-T245 HydrophobicContact CZ-CG2 3.85Å; F241-T245 WeakPolarHBondContact O-CG2 3.38Å; F241-T245 PolarHBondContact O-N 2.99Å; F241-T245 PolarHBondContact O-OG1 2.86Å
242R94.3Very high92.9Very high78 Ų7840.5 Ų40.529%0.29421%0.205SC..Hα-helixtrans-59.9-43.1176.3-67.1-172.8-166.8179.51.7112.2E238 F239 L244 T245 E246 V249E238-R242 WeakPolarHBondContact O-CG 3.46Å; E238-R242 PolarHBondContact O-N 2.78Å; E238-R242 IonicContact OE1-CZ 3.22Å; E238-R242 IonicContact OE1-NE 3.07Å; E238-R242 IonicContact OE1-NH2 2.68Å; E238-R242 PolarHBondContact OE1-NH2 2.57Å; F239-R242 PolarHBondContact O-N 2.94Å; R242-L244 PolarHBondContact O-N 2.93Å; R242-T245 PolarHBondContact O-N 3.28Å; R242-E246 WeakPolarHBondContact O-CA 3.45Å; R242-E246 VanDerWaalsContact O-CB 3.3Å; R242-E246 WeakPolarHBondContact O-CB 3.15Å; R242-E246 PolarHBondContact O-N 3.4Å; R242-V249 HydrophobicContact CB-CG2 4.07Å
243Y95.2Very high92.6Very high15 Ų1544.1 Ų44.16%0.05923%0.232CC..Hα-helixtrans-61.3-32.8177.7-175.5-101.6000113.1V203 T213 F239 L240 F241 V249 L251V203-Y243 HydrophobicContact CB-CD1 4.49Å; V203-Y243 HydrophobicContact CB-CE1 3.74Å; V203-Y243 HydrophobicContact CG1-CD1 4.12Å; V203-Y243 HydrophobicContact CG1-CE1 3.86Å; V203-Y243 HydrophobicContact CG2-CE1 3.82Å; T213-Y243 HydrophobicContact CG2-CD1 3.78Å; T213-Y243 HydrophobicContact CG2-CE1 3.39Å; F239-Y243 HydrophobicContact CZ-CD2 4.3Å; F239-Y243 HydrophobicContact CZ-CG 4.37Å; F239-Y243 WeakPolarHBondContact O-CB 3.31Å; F239-Y243 PolarHBondContact O-N 3.04Å; L240-Y243 PolarHBondContact O-N 2.89Å; F241-Y243 PolarHBondContact O-N 3.49Å; Y243-V249 HydrophobicContact CD2-CB 4.16Å; Y243-V249 HydrophobicContact CD2-CG1 3.77Å; Y243-L251 HydrophobicContact CE2-CD1 3.96Å; Y243-L251 HydrophobicContact CE2-CD2 4.17Å; Y243-L251 HydrophobicContact CE2-CG 3.74Å; Y243-L251 WeakPolarHBondContact OH-CD1 3.44Å
244L94.7Very high92.2Very high3 Ų350.2 Ų50.22%0.01626%0.263CS..Hα-helixtrans-82.6-28.7177.2-69.8165.3000112.6L60 S87 L89 T213 A215 L240 F241 R242L60-L244 HydrophobicContact CD1-CB 4.23Å; L60-L244 HydrophobicContact CD1-CD1 3.89Å; S87-L244 VanDerWaalsContact CB-O 3.25Å; S87-L244 WeakPolarHBondContact CB-O 3.45Å; S87-L244 PolarHBondContact OG-O 2.99Å; L89-L244 HydrophobicContact CB-CD1 3.99Å; L89-L244 HydrophobicContact CD1-CD1 4.25Å; T213-L244 HydrophobicContact CG2-CD2 3.77Å; T213-L244 WeakPolarHBondContact O-CD2 3.34Å; A215-L244 HydrophobicContact CB-CD1 3.99Å; A215-L244 HydrophobicContact CB-CD2 3.89Å; A215-L244 HydrophobicContact CB-CG 4.24Å; L240-L244 WeakPolarHBondContact O-CB 3.36Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 WeakPolarHBondContact O-CG 3.07Å; L240-L244 PolarHBondContact O-N 3.34Å; F241-L244 PolarHBondContact O-N 3.02Å; F241-L244 VanDerWaalsContact O-N 3.15Å; R242-L244 PolarHBondContact O-N 2.93Å
245T91.6Very high91.9Very high13 Ų1347.7 Ų47.78%0.0825%0.253CS..Hα-helixtrans-101.9-32.3-173.657.70000114.3W41 K59 F241 R242W41-T245 HydrophobicContact CH2-CG2 3.59Å; W41-T245 HydrophobicContact CZ2-CG2 3.98Å; W41-T245 HydrophobicContact CZ3-CG2 4.05Å; K59-T245 WeakPolarHBondContact CE-O 3.42Å; K59-T245 HydrophobicContact CG-CG2 4.44Å; F241-T245 HydrophobicContact CD1-CG2 4.48Å; F241-T245 HydrophobicContact CD2-CG2 4.41Å; F241-T245 HydrophobicContact CE1-CG2 4.1Å; F241-T245 HydrophobicContact CE2-CG2 4.02Å; F241-T245 HydrophobicContact CZ-CG2 3.85Å; F241-T245 WeakPolarHBondContact O-CG2 3.38Å; F241-T245 PolarHBondContact O-N 2.99Å; F241-T245 PolarHBondContact O-OG1 2.86Å; R242-T245 PolarHBondContact O-N 3.28Å
246E88.9Confident91.6Very high83 Ų8345.3 Ų45.339%0.38825%0.246SC..  trans-106.6137.7-173.5-58.8175.9-159.400111.4R242 V249R242-E246 WeakPolarHBondContact O-CA 3.45Å; R242-E246 VanDerWaalsContact O-CB 3.3Å; R242-E246 WeakPolarHBondContact O-CB 3.15Å; R242-E246 PolarHBondContact O-N 3.4Å; E246-V249 HydrophobicContact CB-CG2 4.3Å
247E81.2Confident91.3Very high151 Ų15146.4 Ų46.471%0.70626%0.258SS*.THydrogen-bonded Turntrans-81.1-18.5178.5-67.7-179.5-175.200113.4V249E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 3.02Å
248S81.5Confident90.9Very high89 Ų8953.8 Ų53.862%0.62229%0.292SS*.THydrogen-bonded Turntrans-70-22.2-177.351.10000113.8T250S248-T250 PolarHBondContact O-N 3.17Å
249V87.7Confident90.7Very high8 Ų853.8 Ų53.85%0.04830%0.295CS..  trans-79.7112-176.5-172.40000109.7T148 F239 R242 Y243 E246 E247T148-V249 HydrophobicContact CG2-CG1 3.84Å; T148-V249 HydrophobicContact CG2-CG2 4.02Å; F239-V249 HydrophobicContact CE2-CG1 3.9Å; F239-V249 HydrophobicContact CZ-CG1 4.49Å; R242-V249 HydrophobicContact CB-CG2 4.07Å; Y243-V249 HydrophobicContact CD2-CB 4.16Å; Y243-V249 HydrophobicContact CD2-CG1 3.77Å; E246-V249 HydrophobicContact CB-CG2 4.3Å; E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 3.02Å
250T87.8Confident90.3Very high105 Ų10559 Ų5964%0.64432%0.32SS*.  trans-112.3147.2176.555.50000110.8S248S248-T250 PolarHBondContact O-N 3.17Å
251L91.3Very high90Very high27 Ų2761.5 Ų61.514%0.14134%0.335CS..  trans-93.2154.3175.1-63.9174000109.6V184 L186 V203 F239 Y243 S253V184-L251 HydrophobicContact CG1-CD1 4.38Å; L186-L251 HydrophobicContact CD2-CD1 3.76Å; L186-L251 HydrophobicContact CD2-CD2 3.74Å; L186-L251 HydrophobicContact CD2-CG 4.4Å; V203-L251 HydrophobicContact CG2-CD1 3.92Å; F239-L251 HydrophobicContact CZ-CD2 3.89Å; Y243-L251 HydrophobicContact CE2-CD1 3.96Å; Y243-L251 HydrophobicContact CE2-CD2 4.17Å; Y243-L251 HydrophobicContact CE2-CG 3.74Å; Y243-L251 WeakPolarHBondContact OH-CD1 3.44Å; L251-S253 PolarHBondContact O-N 3.04Å
252N91.6Very high89.6Confident41 Ų4165.7 Ų65.722%0.21936%0.355CS..  trans-66.7126.1170.2-177.2-74.1000109.9N142 R143 I254 D255 S256N142-N252 PolarHBondContact ND2-O 3.41Å; N142-N252 PolarHBondContact OD1-N 3.5Å; N142-N252 VanDerWaalsContact OD1-N 3.09Å; R143-N252 HydrophobicContact CG-CB 3.91Å; N252-I254 WeakPolarHBondContact OD1-CB 3.48Å; N252-I254 PolarHBondContact OD1-N 3.31Å; N252-D255 HydrophobicContact CB-CB 4.14Å; N252-D255 PolarHBondContact OD1-N 3.25Å; N252-S256 VanDerWaalsContact O-CB 3.32Å; N252-S256 WeakPolarHBondContact O-CB 3.32Å; N252-S256 PolarHBondContact O-N 3.24Å; N252-S256 PolarHBondContact O-OG 2.93Å
253S89.1Confident89.3Confident102 Ų10266.4 Ų66.471%0.71337%0.368SS*.Hα-helixtrans-69.2-31.8-174.6-54.90000113.9L251 G257L251-S253 PolarHBondContact O-N 3.04Å; S253-G257 PolarHBondContact O-N 3.09Å
254I89.7Confident88.7Confident128 Ų12869.6 Ų69.666%0.65638%0.381SS*.Hα-helixtrans-71-53.9-180-59.2173.6000108.6N252 S256 G257 E258N252-I254 WeakPolarHBondContact OD1-CB 3.48Å; N252-I254 PolarHBondContact OD1-N 3.31Å; I254-S256 PolarHBondContact O-N 3.24Å; I254-G257 PolarHBondContact O-N 2.9Å; I254-E258 PolarHBondContact O-N 3.27Å
255D90.9Very high88.1Confident15 Ų1575.5 Ų75.58%0.0840%0.404CS..Hα-helixtrans-59.4-31.5177.4-60.4-9000111.6N142 R143 N252N142-D255 HydrophobicContact CB-CB 4.21Å; N142-D255 WeakPolarHBondContact ND2-CB 3.26Å; R143-D255 VanDerWaalsContact CG-OD2 3.29Å; R143-D255 WeakPolarHBondContact CG-OD2 3.12Å; R143-D255 IonicContact CZ-OD1 2.6Å; R143-D255 IonicContact CZ-OD2 3.39Å; R143-D255 PolarHBondContact N-OD2 3.02Å; R143-D255 IonicContact NE-OD1 3.95Å; R143-D255 PolarHBondContact NE-OD1 3.41Å; R143-D255 IonicContact NE-OD2 2.6Å; R143-D255 PolarHBondContact NE-OD2 2.97Å; R143-D255 IonicContact NH2-OD1 2.94Å; R143-D255 PolarHBondContact NH2-OD1 3.32Å; R143-D255 IonicContact NH2-OD2 3.9Å; N252-D255 HydrophobicContact CB-CB 4.14Å; N252-D255 PolarHBondContact OD1-N 3.25Å
256S90.5Very high87.2Confident23 Ų2378.9 Ų78.916%0.16142%0.419CS..Hα-helixtrans-73.9-33174.9-58.70000113.3N142 N252 I254N142-S256 PolarHBondContact ND2-OG 2.73Å; N142-S256 VanDerWaalsContact ND2-OG 3.11Å; N252-S256 VanDerWaalsContact O-CB 3.32Å; N252-S256 WeakPolarHBondContact O-CB 3.32Å; N252-S256 PolarHBondContact O-N 3.24Å; N252-S256 PolarHBondContact O-OG 2.93Å; I254-S256 PolarHBondContact O-N 3.24Å
257G90.3Very high86.5Confident27 Ų2779.6 Ų79.628%0.27843%0.428SS..Hα-helixtrans-77.5-35.3-176.400000113.2K181 S253 I254K181-G257 WeakPolarHBondContact CE-O 3.48Å; K181-G257 PolarHBondContact NZ-O 3.32Å; K181-G257 VanDerWaalsContact NZ-O 3.17Å; S253-G257 PolarHBondContact O-N 3.09Å; I254-G257 PolarHBondContact O-N 2.9Å
258E88.7Confident86.2Confident165 Ų16576.4 Ų76.477%0.77142%0.421SS*.SBendtrans-137.968.8-175.9-63.4-171.916800111.1I254I254-E258 PolarHBondContact O-N 3.27Å
259P90.5Very high86.2Confident37 Ų3777 Ų7724%0.2442%0.417CS..  trans-67.9137.2176.329-34.5000110.5L141 A185 V261L141-P259 HydrophobicContact CD1-CB 4.32Å; A185-P259 HydrophobicContact CB-CB 4.47Å; P259-V261 VanDerWaalsContact C-N 3.3Å; P259-V261 HydrophobicContact CB-CG1 4.21Å; P259-V261 HydrophobicContact CG-CG2 4.4Å; P259-V261 PolarHBondContact O-N 3.18Å
260E88Confident85.9Confident112 Ų11282 Ų8252%0.52344%0.442SS..  trans-73.682.1176.4-71.4-170.7-108.200111.6L141 K164L141-E260 WeakPolarHBondContact CD2-O 3.47Å; K164-E260 WeakPolarHBondContact CE-OE1 3.45Å; K164-E260 IonicContact NZ-OE1 2.72Å; K164-E260 PolarHBondContact NZ-OE1 3.05Å; K164-E260 IonicContact NZ-OE2 2.68Å; K164-E260 PolarHBondContact NZ-OE2 3.02Å
261V90.6Very high85.7Confident57 Ų5783.2 Ų83.235%0.34544%0.443SS..  trans-122.6141.3-179.7-62.90000110.5L141 N197 P199 P259L141-V261 HydrophobicContact CD1-CG1 3.7Å; L141-V261 HydrophobicContact CD2-CG1 4.17Å; N197-V261 VanDerWaalsContact O-CA 3.31Å; N197-V261 WeakPolarHBondContact O-CA 3.41Å; P199-V261 HydrophobicContact CG-CB 4.35Å; P199-V261 HydrophobicContact CG-CG1 3.9Å; P259-V261 VanDerWaalsContact C-N 3.3Å; P259-V261 HydrophobicContact CB-CG1 4.21Å; P259-V261 HydrophobicContact CG-CG2 4.4Å; P259-V261 PolarHBondContact O-N 3.18Å
262E88.6Confident85.3Confident101 Ų10185 Ų8547%0.47246%0.458SS..  trans-88.1158.6178.2-75.2-70.9174.700111.5N197 R198N197-E262 HydrophobicContact CB-CB 3.92Å; N197-E262 HydrophobicContact CB-CG 3.57Å; N197-E262 PolarHBondContact O-N 3.24Å; R198-E262 WeakPolarHBondContact CD-O 3.22Å; R198-E262 PolarHBondContact NH1-O 3.4Å
263T86.1Confident84.7Confident92 Ų9287.3 Ų87.356%0.56447%0.47SS*.  trans-66.6152172.161.50000111.1Y265T263-Y265 PolarHBondContact OG1-O 3.36Å
264Y83.7Confident84.2Confident82 Ų8285.7 Ų85.732%0.32246%0.458SS..SBendtrans-66.5-42.6-176.9-169.8-92.3000112.1N116 D118 Q266N116-Y264 HydrophobicContact CB-CE2 4.47Å; D118-Y264 WeakPolarHBondContact CB-OH 3.06Å; D118-Y264 VanDerWaalsContact OD2-CE2 3.24Å; D118-Y264 WeakPolarHBondContact OD2-CE2 3.25Å; D118-Y264 PolarHBondContact OD2-OH 2.93Å; Y264-Q266 PolarHBondContact O-N 2.77Å
265Y81Confident83.8Confident128 Ų12884.1 Ų84.150%0.50246%0.459SS..SBendtrans-87.9110.7177.8-63.8-70.8000109.4T263 F295T263-Y265 PolarHBondContact OG1-O 3.36Å; Y265-F295 HydrophobicContact CD1-CB 3.86Å; Y265-F295 AromaticContact CD1-CD1 4Å; Y265-F295 HydrophobicContact CD1-CD1 4Å; Y265-F295 HydrophobicContact CD1-CG 4.05Å; Y265-F295 HydrophobicContact CE1-CB 4.03Å; Y265-F295 HydrophobicContact CG-CB 4.39Å; Y265-F295 AromaticContact CG-CD1 3.88Å; Y265-F295 HydrophobicContact CG-CD1 3.88Å; Y265-F295 HydrophobicContact CG-CE1 4.33Å; Y265-F295 HydrophobicContact CG-CG 4.09Å
266Q73.4Confident83.1Confident84 Ų8487.9 Ų87.939%0.39348%0.479SS..PPolyproline II helixtrans-74.4129.4176.8-64.1-174.1-25.100109.8Y264Y264-Q266 PolarHBondContact O-N 2.77Å
267V74.4Confident82.3Confident97 Ų9795.3 Ų95.359%0.58852%0.516SS*.PPolyproline II helixtrans-82.3130.5169-176.20000107.1I270V267-I270 HydrophobicContact CG1-CD1 3.93Å; V267-I270 HydrophobicContact CG1-CG1 4.21Å
268P75.1Confident81.3Confident85 Ų85100.4 Ų100.455%0.55253%0.534SS*.PPolyproline II helixtrans-63.4161.8175.828.8-35.8000110.9I270 L273P268-I270 WeakPolarHBondContact O-CG1 3.48Å; P268-I270 PolarHBondContact O-N 3.09Å; P268-L273 HydrophobicContact CB-CD1 3.75Å; P268-L273 HydrophobicContact CG-CD1 3.9Å
269D81.5Confident80.1Confident101 Ų10196.1 Ų96.154%0.5452%0.523SS..  trans-67.994.5175.5-175.6-14.4000110.5I271 S272 L273D269-I271 PolarHBondContact O-N 3.18Å; D269-I271 WeakPolarHBondContact OD1-CB 3.42Å; D269-I271 PolarHBondContact OD1-N 2.67Å; D269-S272 PolarHBondContact O-N 3.01Å; D269-S272 PolarHBondContact OD1-N 3.11Å; D269-S272 WeakPolarHBondContact OD2-CB 3.25Å; D269-L273 WeakPolarHBondContact O-CB 3.43Å; D269-L273 VanDerWaalsContact O-CG 3.31Å; D269-L273 WeakPolarHBondContact O-CG 3.4Å; D269-L273 PolarHBondContact O-N 3.06Å
270I81.3Confident78.8Confident112 Ų112100.7 Ų100.757%0.57455%0.554SS**Hα-helixtrans-61.9-32.6-178.5-58.4175000110.8V267 P268 L273 S274V267-I270 HydrophobicContact CG1-CD1 3.93Å; V267-I270 HydrophobicContact CG1-CG1 4.21Å; P268-I270 WeakPolarHBondContact O-CG1 3.48Å; P268-I270 PolarHBondContact O-N 3.09Å; I270-L273 PolarHBondContact O-N 2.95Å; I270-S274 VanDerWaalsContact O-CB 3.31Å; I270-S274 WeakPolarHBondContact O-CB 3.2Å; I270-S274 PolarHBondContact O-N 3.2Å; I270-S274 PolarHBondContact O-OG 3.02Å
271I83.8Confident77.7Confident132 Ų132103.4 Ų103.468%0.67757%0.571SS**Hα-helixtrans-69.6-47.7-179.2-61.6172.8000109.3D269 L273 S274 S275D269-I271 PolarHBondContact O-N 3.18Å; D269-I271 WeakPolarHBondContact OD1-CB 3.42Å; D269-I271 PolarHBondContact OD1-N 2.67Å; I271-L273 PolarHBondContact O-N 3Å; I271-S274 PolarHBondContact O-N 2.74Å; I271-S274 PolarHBondContact O-OG 3.34Å; I271-S275 PolarHBondContact O-N 3.39Å; I271-S275 PolarHBondContact O-OG 3.17Å
272S83.3Confident76.5Confident63 Ų63108.1 Ų108.144%0.44159%0.589SS.*Hα-helixtrans-61.5-44.4174.4-177.20000111.6D269 S274 S275 N276D269-S272 PolarHBondContact O-N 3.01Å; D269-S272 PolarHBondContact OD1-N 3.11Å; D269-S272 WeakPolarHBondContact OD2-CB 3.25Å; S272-S274 PolarHBondContact O-N 3.47Å; S272-S275 WeakPolarHBondContact O-CB 3.28Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; S272-N276 PolarHBondContact O-N 3.19Å
273L78.6Confident75.5Confident90 Ų90112 Ų11247%0.47161%0.608SS.*Hα-helixtrans-64.3-36.9178.7-72.5178000113.1P268 D269 I270 I271 S275 N276P268-L273 HydrophobicContact CB-CD1 3.75Å; P268-L273 HydrophobicContact CG-CD1 3.9Å; D269-L273 WeakPolarHBondContact O-CB 3.43Å; D269-L273 VanDerWaalsContact O-CG 3.31Å; D269-L273 WeakPolarHBondContact O-CG 3.4Å; D269-L273 PolarHBondContact O-N 3.06Å; I270-L273 PolarHBondContact O-N 2.95Å; I271-L273 PolarHBondContact O-N 3Å; L273-S275 PolarHBondContact O-N 3.16Å; L273-N276 WeakPolarHBondContact O-CB 3.46Å; L273-N276 PolarHBondContact O-N 2.63Å
274S78.2Confident74.7Confident68 Ų68112.9 Ų112.948%0.47662%0.617SS.*Hα-helixtrans-69.4-21.8176.964.40000113.2I270 I271 S272 N276I270-S274 VanDerWaalsContact O-CB 3.31Å; I270-S274 WeakPolarHBondContact O-CB 3.2Å; I270-S274 PolarHBondContact O-N 3.2Å; I270-S274 PolarHBondContact O-OG 3.02Å; I271-S274 PolarHBondContact O-N 2.74Å; I271-S274 PolarHBondContact O-OG 3.34Å; S272-S274 PolarHBondContact O-N 3.47Å; S274-N276 VanDerWaalsContact C-N 3.33Å
275S80.6Confident74.4Confident96 Ų96116.1 Ų116.167%0.67164%0.64SS**THydrogen-bonded Turntrans-81.3-12.5175.1-55.10000113I271 S272 L273I271-S275 PolarHBondContact O-N 3.39Å; I271-S275 PolarHBondContact O-OG 3.17Å; S272-S275 WeakPolarHBondContact O-CB 3.28Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; L273-S275 PolarHBondContact O-N 3.16Å
276N77.9Confident74.3Confident93 Ų93119.1 Ų119.150%0.49766%0.659SS.*SBendtrans-67.7141.7175.5-71.7-28000110.3S272 L273 S274 M278S272-N276 PolarHBondContact O-N 3.19Å; L273-N276 WeakPolarHBondContact O-CB 3.46Å; L273-N276 PolarHBondContact O-N 2.63Å; S274-N276 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.44Å
277L73.5Confident74.7Confident179 Ų179121.3 Ų121.394%0.93767%0.672SS**  trans-59110.3176.7-171.580000109.6
278M68.3Low75.1Confident135 Ų135119.1 Ų119.167%0.66566%0.66SS**  trans-81.1133.9175.8-59.1-166.8-152.400110.1N276 C280N276-M278 PolarHBondContact O-N 3.44Å; M278-C280 PolarHBondContact O-N 3.45Å
279S64.1Low75.5Confident75 Ų75124.2 Ų124.252%0.52468%0.677SS.*  trans-67.3117.3168.81750000109L281S279-L281 PolarHBondContact O-N 3.17Å
280C62.4Low75.6Confident132 Ų132123.4 Ų123.489%0.89267%0.672SS**THydrogen-bonded Turntrans-72.9-8-179.6-48.20000113.7M278M278-C280 PolarHBondContact O-N 3.45Å
281L66.2Low75.5Confident169 Ų169122.6 Ų122.689%0.88567%0.673SS**THydrogen-bonded Turntrans-108.5-9.8-173-65.1175000113.6S279S279-L281 PolarHBondContact O-N 3.17Å
282Q63.6Low75.3Confident157 Ų157124.2 Ų124.273%0.73468%0.675SS**  trans-96.2114.4180-167.1168.1-1.200108.9
283E67.5Low75Confident183 Ų183125.7 Ų125.786%0.85568%0.677SS**PPolyproline II helixtrans-66.5137.6167-70.9179.4170.900108.9
284S70.4Confident74.9Confident109 Ų109126.6 Ų126.676%0.76268%0.675SS**PPolyproline II helixtrans-70.8141.3172.955.70000110
285D76.3Confident74.6Confident151 Ų151126.7 Ų126.781%0.80767%0.667SS**PPolyproline II helixtrans-57.3151168.5-66.9-39.7000110.8L287D285-L287 PolarHBondContact O-N 2.96Å
286E80.8Confident74.2Confident191 Ų191126.5 Ų126.589%0.89366%0.659SS**PPolyproline II helixtrans-59132.3175.6-77.7-171.7168.600111.2
287L81.2Confident73.7Confident129 Ų129128.4 Ų128.468%0.67567%0.665SS**PPolyproline II helixtrans-67.4129.7-179-74.5-179.3000110.8D285 Q289 Y294D285-L287 PolarHBondContact O-N 2.96Å; L287-Q289 PolarHBondContact O-N 3.2Å; L287-Y294 VanDerWaalsContact CB-OH 3.28Å; L287-Y294 WeakPolarHBondContact CB-OH 3.47Å; L287-Y294 HydrophobicContact CD2-CE1 3.85Å
288P82Confident73.5Confident52 Ų52122.2 Ų122.234%0.33864%0.644SS.*PPolyproline II helixtrans-54.4133175.2-26.331.1000113.1N290 N293 Y294P288-N290 VanDerWaalsContact C-N 3.28Å; P288-N290 PolarHBondContact O-N 3.19Å; P288-N293 HydrophobicContact CB-CB 3.97Å; P288-N293 HydrophobicContact CG-CB 4.41Å; P288-Y294 HydrophobicContact CG-CE1 4.2Å; P288-Y294 PolarHBondContact O-OH 3.43Å
289Q84.7Confident73.2Confident192 Ų192122.1 Ų122.190%0.89765%0.645SS**SBendtrans-64.4-31.2176.3-69.5-69.4-19.900113L287L287-Q289 PolarHBondContact O-N 3.2Å
290N82.2Confident73.1Confident83 Ų83127.5 Ų127.544%0.44466%0.66SS.*SBendtrans-93.7116.3177.9-175.6-7.5000110.7P288 K292 N293P288-N290 VanDerWaalsContact C-N 3.28Å; P288-N290 PolarHBondContact O-N 3.19Å; N290-K292 PolarHBondContact O-N 3.41Å; N290-K292 VanDerWaalsContact O-N 3.09Å; N290-K292 PolarHBondContact OD1-N 2.98Å; N290-N293 WeakPolarHBondContact O-CB 3.37Å; N290-N293 PolarHBondContact O-N 3.33Å
291V79.9Confident73.2Confident96 Ų96124.3 Ų124.358%0.58264%0.638SS**G310 helixtrans-57.7-28.5-178.1-176.50000112.9N293 Y294 F295V291-N293 PolarHBondContact O-N 3.25Å; V291-Y294 HydrophobicContact CB-CD2 4.35Å; V291-Y294 HydrophobicContact CG1-CD2 4.16Å; V291-Y294 VanDerWaalsContact O-CD2 3.26Å; V291-Y294 WeakPolarHBondContact O-CD2 3.33Å; V291-Y294 PolarHBondContact O-N 3.44Å; V291-F295 HydrophobicContact CG1-CE2 4.33Å
292K79.4Confident73.2Confident166 Ų166125.9 Ų125.972%0.72264%0.643SS**G310 helixtrans-64-26.5177.8-66.7-176178-179.40113N290 Y294 F295N290-K292 PolarHBondContact O-N 3.41Å; N290-K292 VanDerWaalsContact O-N 3.09Å; N290-K292 PolarHBondContact OD1-N 2.98Å; K292-Y294 VanDerWaalsContact C-N 3.27Å; K292-Y294 PolarHBondContact O-N 3.25Å; K292-F295 PolarHBondContact O-N 2.85Å
293N78.2Confident73.6Confident93 Ų93121.4 Ų121.450%0.49763%0.625SS.*G310 helixtrans-74-18.4-178.2-63.9-2.3000112.5P288 N290 V291 F295 D296P288-N293 HydrophobicContact CB-CB 3.97Å; P288-N293 HydrophobicContact CG-CB 4.41Å; N290-N293 WeakPolarHBondContact O-CB 3.37Å; N290-N293 PolarHBondContact O-N 3.33Å; V291-N293 PolarHBondContact O-N 3.25Å; N293-F295 PolarHBondContact O-N 3.17Å; N293-D296 PolarHBondContact O-N 3.22Å
294Y75.5Confident74.2Confident110 Ų110117.8 Ų117.843%0.43162%0.615SS.*G310 helixtrans-65.7-22.6172.1-65.9-72.2000112.7L287 P288 V291 K292 D296L287-Y294 VanDerWaalsContact CB-OH 3.28Å; L287-Y294 WeakPolarHBondContact CB-OH 3.47Å; L287-Y294 HydrophobicContact CD2-CE1 3.85Å; P288-Y294 HydrophobicContact CG-CE1 4.2Å; P288-Y294 PolarHBondContact O-OH 3.43Å; V291-Y294 HydrophobicContact CB-CD2 4.35Å; V291-Y294 HydrophobicContact CG1-CD2 4.16Å; V291-Y294 VanDerWaalsContact O-CD2 3.26Å; V291-Y294 WeakPolarHBondContact O-CD2 3.33Å; V291-Y294 PolarHBondContact O-N 3.44Å; K292-Y294 VanDerWaalsContact C-N 3.27Å; K292-Y294 PolarHBondContact O-N 3.25Å; Y294-D296 VanDerWaalsContact C-N 3.32Å
295F72Confident74.7Confident70 Ų70121.8 Ų121.831%0.30761%0.613SS.*G310 helixtrans-93.917-178.7-57.1-76.5000113Y265 V291 K292 N293 Q297Y265-F295 HydrophobicContact CD1-CB 3.86Å; Y265-F295 AromaticContact CD1-CD1 4Å; Y265-F295 HydrophobicContact CD1-CD1 4Å; Y265-F295 HydrophobicContact CD1-CG 4.05Å; Y265-F295 HydrophobicContact CE1-CB 4.03Å; Y265-F295 HydrophobicContact CG-CB 4.39Å; Y265-F295 AromaticContact CG-CD1 3.88Å; Y265-F295 HydrophobicContact CG-CD1 3.88Å; Y265-F295 HydrophobicContact CG-CE1 4.33Å; Y265-F295 HydrophobicContact CG-CG 4.09Å; V291-F295 HydrophobicContact CG1-CE2 4.33Å; K292-F295 PolarHBondContact O-N 2.85Å; N293-F295 PolarHBondContact O-N 3.17Å; F295-Q297 PolarHBondContact O-N 2.91Å
296D71.7Confident75.1Confident92 Ų92120.2 Ų120.249%0.49260%0.604SS.*  trans-71.598.8173.5-172.72.2000110.9N293 Y294 G298N293-D296 PolarHBondContact O-N 3.22Å; Y294-D296 VanDerWaalsContact C-N 3.32Å; D296-G298 PolarHBondContact O-N 2.91Å; D296-G298 WeakPolarHBondContact OD1-CA 3.22Å; D296-G298 PolarHBondContact OD1-N 3.39Å
297Q68.8Low75.4Confident133 Ų133114.7 Ų114.762%0.62158%0.584SS**THydrogen-bonded Turntrans-71.4-7.3177-62.9-67-37.400112.8F295 C301F295-Q297 PolarHBondContact O-N 2.91Å; Q297-C301 VanDerWaalsContact O-CB 3.27Å; Q297-C301 WeakPolarHBondContact O-CB 3.46Å; Q297-C301 PolarHBondContact O-N 2.97Å
298G68.8Low75.8Confident48 Ų48112 Ų11250%0.49557%0.574SS.*THydrogen-bonded Turntrans-67.4-38.1-178.600000113.5D296 F300 C301D296-G298 PolarHBondContact O-N 2.91Å; D296-G298 WeakPolarHBondContact OD1-CA 3.22Å; D296-G298 PolarHBondContact OD1-N 3.39Å; G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.07Å; G298-C301 PolarHBondContact O-SG 2.6Å
299L62.5Low76.2Confident134 Ų134116 Ų11670%0.70259%0.586SS**THydrogen-bonded Turntrans-70.6-27.7-174.2-73.7165.7000113.6
300F61.6Low76.2Confident188 Ų188109.4 Ų109.483%0.82556%0.564SS**THydrogen-bonded Turntrans-127.724.8-175.8-60.1-76.6000113.2G298G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.07Å
301C64.9Low76.5Confident65 Ų65110 Ų11044%0.43957%0.566SS.*  trans-73.6136.2172.962.50000110.9Q297 G298 D303Q297-C301 VanDerWaalsContact O-CB 3.27Å; Q297-C301 WeakPolarHBondContact O-CB 3.46Å; Q297-C301 PolarHBondContact O-N 2.97Å; G298-C301 PolarHBondContact O-SG 2.6Å; C301-D303 VanDerWaalsContact C-N 3.28Å; C301-D303 PolarHBondContact O-N 3.12Å
302M66Low76.9Confident202 Ų202110.7 Ų110.7100%0.99556%0.563SS**  trans-69.691.4164.7-77.3-126.4-73.600108.6
303D70.9Confident77.5Confident63 Ų63106 Ų10634%0.33755%0.548SS..  trans-110.3126.4-179.3-168.81.2000111.3C301 R305C301-D303 VanDerWaalsContact C-N 3.28Å; C301-D303 PolarHBondContact O-N 3.12Å; D303-R305 VanDerWaalsContact OD1-CB 3.28Å; D303-R305 WeakPolarHBondContact OD1-CB 3.41Å; D303-R305 WeakPolarHBondContact OD1-CG 3.29Å; D303-R305 PolarHBondContact OD1-N 2.86Å; D303-R305 IonicContact OD1-NE 2.76Å; D303-R305 WeakPolarHBondContact OD2-CB 3.13Å; D303-R305 WeakPolarHBondContact OD2-CD 3.42Å; D303-R305 WeakPolarHBondContact OD2-CG 3.28Å; D303-R305 IonicContact OD2-CZ 3.78Å; D303-R305 IonicContact OD2-NE 2.86Å; D303-R305 PolarHBondContact OD2-NE 2.87Å; D303-R305 VanDerWaalsContact OD2-NE 3.15Å; D303-R305 IonicContact OD2-NH1 2.71Å; D303-R305 PolarHBondContact OD2-NH1 3.36Å
304T79.8Confident78Confident106 Ų106105.1 Ų105.165%0.6554%0.538SS*.  trans-89.81175.456.70000112.9L306 V307 P308T304-L306 PolarHBondContact O-N 3.26Å; T304-L306 VanDerWaalsContact O-N 3.09Å; T304-V307 HydrophobicContact CG2-CG2 4.33Å; T304-V307 VanDerWaalsContact O-CB 3.3Å; T304-V307 WeakPolarHBondContact O-CB 2.93Å; T304-V307 PolarHBondContact O-N 3.34Å; T304-P308 VanDerWaalsContact O-CD 3.3Å; T304-P308 WeakPolarHBondContact O-CD 3.35Å
305R82.4Confident78.6Confident194 Ų194107.7 Ų107.773%0.73255%0.554SS**THydrogen-bonded Turntrans-54.9-29.7178.9-77.3175.8-146.2144.4-10.6113.8D303D303-R305 VanDerWaalsContact OD1-CB 3.28Å; D303-R305 WeakPolarHBondContact OD1-CB 3.41Å; D303-R305 WeakPolarHBondContact OD1-CG 3.29Å; D303-R305 PolarHBondContact OD1-N 2.86Å; D303-R305 IonicContact OD1-NE 2.76Å; D303-R305 WeakPolarHBondContact OD2-CB 3.13Å; D303-R305 WeakPolarHBondContact OD2-CD 3.42Å; D303-R305 WeakPolarHBondContact OD2-CG 3.28Å; D303-R305 IonicContact OD2-CZ 3.78Å; D303-R305 IonicContact OD2-NE 2.86Å; D303-R305 PolarHBondContact OD2-NE 2.87Å; D303-R305 VanDerWaalsContact OD2-NE 3.15Å; D303-R305 IonicContact OD2-NH1 2.71Å; D303-R305 PolarHBondContact OD2-NH1 3.36Å
306L84.6Confident79.6Confident118 Ų118112.2 Ų112.262%0.61857%0.574SS**THydrogen-bonded Turntrans-86-14.4177.7-64.5-178.5000113.6T304 K309 A310T304-L306 PolarHBondContact O-N 3.26Å; T304-L306 VanDerWaalsContact O-N 3.09Å; L306-K309 HydrophobicContact CD2-CD 4.21Å; L306-K309 PolarHBondContact O-N 3.18Å; L306-K309 VanDerWaalsContact O-N 3.16Å; L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 2.92Å
307V87.1Confident80.7Confident75 Ų75113.6 Ų113.646%0.45558%0.581SS.*Hα-helixtrans-59-47.1-178.6175.60000111.8T304 K309 A310 I311T304-V307 HydrophobicContact CG2-CG2 4.33Å; T304-V307 VanDerWaalsContact O-CB 3.3Å; T304-V307 WeakPolarHBondContact O-CB 2.93Å; T304-V307 PolarHBondContact O-N 3.34Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.6Å; V307-A310 PolarHBondContact O-N 2.94Å; V307-I311 HydrophobicContact CG1-CD1 3.83Å; V307-I311 HydrophobicContact CG1-CG1 4.41Å; V307-I311 WeakPolarHBondContact O-CG1 3.06Å; V307-I311 PolarHBondContact O-N 2.97Å
308P89.3Confident81.6Confident73 Ų73118.5 Ų118.547%0.47459%0.593SS.*Hα-helixtrans-60.3-39.8175.9-24.534.7000113.2T304 I311 Q312T304-P308 VanDerWaalsContact O-CD 3.3Å; T304-P308 WeakPolarHBondContact O-CD 3.35Å; P308-I311 PolarHBondContact O-N 3.04Å; P308-Q312 WeakPolarHBondContact O-CG 3.31Å; P308-Q312 PolarHBondContact O-N 3.49Å; P308-Q312 VanDerWaalsContact O-N 3.1Å
309K89.1Confident82.4Confident136 Ų136120 Ų12059%0.59159%0.593SS**Hα-helixtrans-66.4-42.7176.8-70-177.3-179.6176.70111.2L306 V307 I311 Q312 V313L306-K309 HydrophobicContact CD2-CD 4.21Å; L306-K309 PolarHBondContact O-N 3.18Å; L306-K309 VanDerWaalsContact O-N 3.16Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.6Å; K309-I311 PolarHBondContact O-N 3.48Å; K309-Q312 PolarHBondContact O-N 3.45Å; K309-V313 VanDerWaalsContact O-CG2 3.32Å; K309-V313 WeakPolarHBondContact O-CG2 3.47Å; K309-V313 PolarHBondContact O-N 3.14Å; K309-V313 VanDerWaalsContact O-N 3.1Å
310A86.6Confident83.4Confident52 Ų52120.7 Ų120.743%0.4359%0.59SS.*Hα-helixtrans-61.7-42.4177.300000111.7L306 V307 Q312 V313 Y314L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 2.92Å; V307-A310 PolarHBondContact O-N 2.94Å; A310-Q312 PolarHBondContact O-N 3.33Å; A310-V313 WeakPolarHBondContact O-CB 3.44Å; A310-V313 PolarHBondContact O-N 2.74Å; A310-Y314 WeakPolarHBondContact O-CD2 3.16Å
311I87Confident84.3Confident96 Ų96118 Ų11849%0.49258%0.58SS.*Hα-helixtrans-61.9-43.9175.4-66.6167.6000110.9V307 P308 K309 V313 Y314V307-I311 HydrophobicContact CG1-CD1 3.83Å; V307-I311 HydrophobicContact CG1-CG1 4.41Å; V307-I311 WeakPolarHBondContact O-CG1 3.06Å; V307-I311 PolarHBondContact O-N 2.97Å; P308-I311 PolarHBondContact O-N 3.04Å; K309-I311 PolarHBondContact O-N 3.48Å; I311-V313 PolarHBondContact O-N 3.03Å; I311-Y314 PolarHBondContact O-N 3.34Å
312Q89.3Confident85.1Confident110 Ų110120 Ų12051%0.51458%0.582SS.*Hα-helixtrans-63.7-26.6176.8-72173.65.200113.5P308 K309 A310 K316P308-Q312 WeakPolarHBondContact O-CG 3.31Å; P308-Q312 PolarHBondContact O-N 3.49Å; P308-Q312 VanDerWaalsContact O-N 3.1Å; K309-Q312 PolarHBondContact O-N 3.45Å; A310-Q312 PolarHBondContact O-N 3.33Å; Q312-K316 PolarHBondContact O-N 3.25Å
313V91.9Very high85.9Confident67 Ų67116 Ų11641%0.40657%0.572SS.*Hα-helixtrans-70.5-32.8178.7167.80000111.8K309 A310 I311 E315 K316 L317K309-V313 VanDerWaalsContact O-CG2 3.32Å; K309-V313 WeakPolarHBondContact O-CG2 3.47Å; K309-V313 PolarHBondContact O-N 3.14Å; K309-V313 VanDerWaalsContact O-N 3.1Å; A310-V313 WeakPolarHBondContact O-CB 3.44Å; A310-V313 PolarHBondContact O-N 2.74Å; I311-V313 PolarHBondContact O-N 3.03Å; V313-E315 VanDerWaalsContact C-N 3.28Å; V313-E315 PolarHBondContact O-N 3.25Å; V313-K316 PolarHBondContact O-N 3.27Å; V313-L317 HydrophobicContact CG1-CD1 3.47Å; V313-L317 VanDerWaalsContact CG1-CD1 3.47Å; V313-L317 HydrophobicContact CG1-CG 3.9Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 2.98Å
314Y88.5Confident86.2Confident75 Ų75121.2 Ų121.229%0.29460%0.599SS.*Hα-helixtrans-55.3-45.3174.8-83.7-91.4000111.5A310 I311 R318 V319 H321A310-Y314 WeakPolarHBondContact O-CD2 3.16Å; I311-Y314 PolarHBondContact O-N 3.34Å; Y314-R318 PolarHBondContact O-N 3.47Å; Y314-V319 HydrophobicContact CD1-CB 4.07Å; Y314-V319 HydrophobicContact CD1-CG1 3.95Å; Y314-V319 WeakPolarHBondContact CD1-O 2.99Å; Y314-V319 HydrophobicContact CE1-CG1 4.03Å; Y314-V319 PolarHBondContact O-N 2.99Å; Y314-H321 HydrophobicContact CD1-CB 3.92Å; Y314-H321 AromaticContact CD1-ND1 3.92Å; Y314-H321 AromaticContact CD2-ND1 3.67Å; Y314-H321 HydrophobicContact CE1-CB 4.27Å; Y314-H321 AromaticContact CE1-ND1 3.67Å; Y314-H321 AromaticContact CE2-ND1 3.42Å; Y314-H321 WeakPolarHBondContact CE2-ND1 3.37Å; Y314-H321 HydrophobicContact CG-CB 4.18Å; Y314-H321 AromaticContact CG-ND1 3.93Å; Y314-H321 AromaticContact CZ-ND1 3.42Å
315E88Confident86.2Confident165 Ų165121.8 Ų121.877%0.77160%0.602SS**Hα-helixtrans-66-44.1178.7-168.5176.5-172.500111.9V313 L317 R318V313-E315 VanDerWaalsContact C-N 3.28Å; V313-E315 PolarHBondContact O-N 3.25Å; E315-L317 PolarHBondContact O-N 3.2Å; E315-R318 PolarHBondContact O-N 3.37Å
316K92.8Very high86Confident165 Ų165120.8 Ų120.872%0.71761%0.611SS**Hα-helixtrans-63.9-39.5178.7-72.2-179178.8178.10113.1Q312 V313 R318Q312-K316 PolarHBondContact O-N 3.25Å; V313-K316 PolarHBondContact O-N 3.27Å; K316-R318 VanDerWaalsContact C-N 3.27Å
317L93.9Very high85.5Confident121 Ų121122.3 Ų122.363%0.63462%0.618SS**THydrogen-bonded Turntrans-84.9-2.3178.9-63.7179.8000112.8V313 E315 V319V313-L317 HydrophobicContact CG1-CD1 3.47Å; V313-L317 VanDerWaalsContact CG1-CD1 3.47Å; V313-L317 HydrophobicContact CG1-CG 3.9Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 2.98Å; E315-L317 PolarHBondContact O-N 3.2Å; L317-V319 HydrophobicContact CB-CG2 3.78Å; L317-V319 PolarHBondContact O-N 3.16Å
318R89.2Confident85Confident235 Ų235123.2 Ų123.289%0.88763%0.628SS**THydrogen-bonded Turntrans52.834-174-55.6-176.4178.9-169.6-0.5112.4Y314 E315 K316Y314-R318 PolarHBondContact O-N 3.47Å; E315-R318 PolarHBondContact O-N 3.37Å; K316-R318 VanDerWaalsContact C-N 3.27Å
319V85.7Confident84.1Confident80 Ų80124 Ų12449%0.48563%0.632SS.*  trans-91.9133.1174.6-179.30000107.4Y314 L317Y314-V319 HydrophobicContact CD1-CB 4.07Å; Y314-V319 HydrophobicContact CD1-CG1 3.95Å; Y314-V319 WeakPolarHBondContact CD1-O 2.99Å; Y314-V319 HydrophobicContact CE1-CG1 4.03Å; Y314-V319 PolarHBondContact O-N 2.99Å; L317-V319 HydrophobicContact CB-CG2 3.78Å; L317-V319 PolarHBondContact O-N 3.16Å
320K83Confident83.2Confident149 Ų149126.5 Ų126.565%0.64865%0.647SS**  trans-70.7132.6177.1-155.9177.7174.6-164.60109.3E322K320-E322 HydrophobicContact CB-CG 4.37Å; K320-E322 VanDerWaalsContact CD-CD 3.43Å; K320-E322 HydrophobicContact CD-CG 3.95Å; K320-E322 WeakPolarHBondContact CD-OE1 3.21Å; K320-E322 WeakPolarHBondContact CE-OE1 3.29Å; K320-E322 HydrophobicContact CG-CG 3.91Å; K320-E322 IonicContact NZ-OE1 2.7Å; K320-E322 PolarHBondContact NZ-OE1 3.44Å; K320-E322 IonicContact NZ-OE2 2.89Å; K320-E322 PolarHBondContact O-N 3.26Å; K320-E322 VanDerWaalsContact O-N 3.12Å
321H80.2Confident82.2Confident130 Ų130130.1 Ų130.160%0.60265%0.653SS**  trans-8092.3175.6-17165.4000109.6Y314Y314-H321 HydrophobicContact CD1-CB 3.92Å; Y314-H321 AromaticContact CD1-ND1 3.92Å; Y314-H321 AromaticContact CD2-ND1 3.67Å; Y314-H321 HydrophobicContact CE1-CB 4.27Å; Y314-H321 AromaticContact CE1-ND1 3.67Å; Y314-H321 AromaticContact CE2-ND1 3.42Å; Y314-H321 WeakPolarHBondContact CE2-ND1 3.37Å; Y314-H321 HydrophobicContact CG-CB 4.18Å; Y314-H321 AromaticContact CG-ND1 3.93Å; Y314-H321 AromaticContact CZ-ND1 3.42Å
322E81.9Confident81.5Confident107 Ų107135.1 Ų135.150%0.567%0.674SS.*  trans-133.3157-179.6-69.3-170.9147.900111.1K320 L324K320-E322 HydrophobicContact CB-CG 4.37Å; K320-E322 VanDerWaalsContact CD-CD 3.43Å; K320-E322 HydrophobicContact CD-CG 3.95Å; K320-E322 WeakPolarHBondContact CD-OE1 3.21Å; K320-E322 WeakPolarHBondContact CE-OE1 3.29Å; K320-E322 HydrophobicContact CG-CG 3.91Å; K320-E322 IonicContact NZ-OE1 2.7Å; K320-E322 PolarHBondContact NZ-OE1 3.44Å; K320-E322 IonicContact NZ-OE2 2.89Å; K320-E322 PolarHBondContact O-N 3.26Å; K320-E322 VanDerWaalsContact O-N 3.12Å; E322-L324 PolarHBondContact O-N 3.37Å
323P81.8Confident80.7Confident120 Ų120135.2 Ų135.278%0.77968%0.682SS**PPolyproline II helixtrans-54.6131.9171.6-21.432000110.5T325P323-T325 PolarHBondContact O-N 2.83Å
324L77.7Confident79.8Confident171 Ų171137.2 Ų137.290%0.89570%0.697SS**PPolyproline II helixtrans-59.4121.6176.8-69.7169000109.7E322E322-L324 PolarHBondContact O-N 3.37Å
325T79.5Confident78.9Confident118 Ų118139.4 Ų139.472%0.72471%0.713SS**PPolyproline II helixtrans-91.7144.3169.754.30000109.8P323 I327P323-T325 PolarHBondContact O-N 2.83Å; T325-I327 PolarHBondContact O-N 2.81Å
326L78Confident78.2Confident173 Ų173136.6 Ų136.691%0.90671%0.709SS**  trans-61107.2169.6-82.6155.5000109.2S328L326-S328 PolarHBondContact O-N 3.02Å
327I75Confident77.4Confident150 Ų150134.3 Ų134.377%0.76971%0.711SS**  trans-71.8112.6167.2-58.8174.5000105.9T325 P329T325-I327 PolarHBondContact O-N 2.81Å; I327-P329 VanDerWaalsContact O-CD 3.29Å; I327-P329 WeakPolarHBondContact O-CD 3.43Å; I327-P329 VanDerWaalsContact O-N 3.15Å
328S75.8Confident76.5Confident95 Ų95135.3 Ų135.366%0.66472%0.721SS**  trans-60.5117.3171.2-420000107.5L326 Q330L326-S328 PolarHBondContact O-N 3.02Å; S328-Q330 PolarHBondContact O-N 3.06Å; S328-Q330 VanDerWaalsContact O-N 3.09Å
329P71.4Confident75.9Confident88 Ų88132.6 Ų132.657%0.57172%0.719SS**  trans-59.3120.6178.922.7-31.9000108.9I327 F331I327-P329 VanDerWaalsContact O-CD 3.29Å; I327-P329 WeakPolarHBondContact O-CD 3.43Å; I327-P329 VanDerWaalsContact O-N 3.15Å; P329-F331 HydrophobicContact CB-CD2 4.22Å; P329-F331 HydrophobicContact CB-CE1 4.44Å; P329-F331 HydrophobicContact CB-CE2 3.68Å; P329-F331 HydrophobicContact CB-CZ 3.8Å; P329-F331 HydrophobicContact CG-CD2 4.39Å; P329-F331 HydrophobicContact CG-CE2 3.55Å; P329-F331 HydrophobicContact CG-CZ 3.88Å; P329-F331 PolarHBondContact O-N 3.12Å
330Q69.3Low75.4Confident190 Ų190134 Ų13489%0.88873%0.73SS**  trans-85.3100.3167.7-71.2-172.8-1.100107.1S328 E332S328-Q330 PolarHBondContact O-N 3.06Å; S328-Q330 VanDerWaalsContact O-N 3.09Å; Q330-E332 PolarHBondContact O-N 3.23Å
331F67.4Low75.1Confident128 Ų128131.1 Ų131.156%0.56173%0.733SS**  trans-79114.4171.6-61.8-81.6000108.2P329 T333 L335P329-F331 HydrophobicContact CB-CD2 4.22Å; P329-F331 HydrophobicContact CB-CE1 4.44Å; P329-F331 HydrophobicContact CB-CE2 3.68Å; P329-F331 HydrophobicContact CB-CZ 3.8Å; P329-F331 HydrophobicContact CG-CD2 4.39Å; P329-F331 HydrophobicContact CG-CE2 3.55Å; P329-F331 HydrophobicContact CG-CZ 3.88Å; P329-F331 PolarHBondContact O-N 3.12Å; F331-T333 WeakPolarHBondContact CB-O 3.48Å; F331-T333 PolarHBondContact O-N 3.13Å; F331-L335 HydrophobicContact CE1-CD2 4.49Å; F331-L335 HydrophobicContact CE2-CD1 4.47Å; F331-L335 HydrophobicContact CZ-CD1 4.45Å
332E72Confident75.3Confident201 Ų201131.2 Ų131.294%0.93974%0.743SS**SBendtrans-59.9-30172.2-72.6-172.8162.100111.5Q330Q330-E332 PolarHBondContact O-N 3.23Å
333T71.3Confident75.3Confident111 Ų111134 Ų13468%0.68175%0.754SS**SBendtrans-115.8126.6177-36.80000108.9F331 L335F331-T333 WeakPolarHBondContact CB-O 3.48Å; F331-T333 PolarHBondContact O-N 3.13Å; T333-L335 PolarHBondContact O-N 2.94Å
334P73.3Confident75.1Confident110 Ų110133.2 Ų133.271%0.71475%0.749SS**PPolyproline II helixtrans-55.4135.3173.623.5-31.9000108.9
335L69.9Low75.1Confident121 Ų121129.3 Ų129.363%0.63473%0.733SS**PPolyproline II helixtrans-50.7135.5171.6-73.6166000108F331 T333F331-L335 HydrophobicContact CE1-CD2 4.49Å; F331-L335 HydrophobicContact CE2-CD1 4.47Å; F331-L335 HydrophobicContact CZ-CD1 4.45Å; T333-L335 PolarHBondContact O-N 2.94Å
336P74.1Confident74.9Confident105 Ų105131.5 Ų131.568%0.68274%0.741SS**PPolyproline II helixtrans-52.7141.1171.420.5-29.2000108.4V338P336-V338 PolarHBondContact O-N 3.33Å
337P76.2Confident74.8Confident118 Ų118131.5 Ų131.577%0.76673%0.734SS**PPolyproline II helixtrans-53.4131.3-177.322.1-32.5000109.1Q339P337-Q339 PolarHBondContact O-N 2.89Å
338V73.2Confident74.8Confident141 Ų141135.9 Ų135.986%0.85574%0.741SS**  trans-56.2111.4179.4-174.20000107.7P336 P340P336-V338 PolarHBondContact O-N 3.33Å; V338-P340 WeakPolarHBondContact O-CD 3.3Å
339Q76.5Confident74.9Confident179 Ų179140 Ų14084%0.83675%0.749SS**  trans-97.9111.9176.9-135.4174.2-3.900107.2P337 A341P337-Q339 PolarHBondContact O-N 2.89Å; Q339-A341 PolarHBondContact O-N 2.98Å
340P76.6Confident75.2Confident109 Ų109141.6 Ų141.671%0.70876%0.759SS**  trans-59.4132.9176.79.1-10.4000109.2V338 V342V338-P340 WeakPolarHBondContact O-CD 3.3Å; P340-V342 PolarHBondContact O-N 3.19Å; P340-V342 VanDerWaalsContact O-N 3.17Å
341A75.7Confident75.7Confident88 Ų88138 Ų13873%0.72775%0.754SS**  trans-60.4121.3173.600000108.8Q339 F343Q339-A341 PolarHBondContact O-N 2.98Å; A341-F343 PolarHBondContact O-N 3.1Å
342V84.6Confident76.5Confident132 Ų132137.2 Ų137.280%0.876%0.762SS**SBendtrans-70.7-17175.7-112.20000112.2P340P340-V342 PolarHBondContact O-N 3.19Å; P340-V342 VanDerWaalsContact O-N 3.17Å
343F81.4Confident76.9Confident167 Ų167131.4 Ų131.473%0.73274%0.741SS**SBendtrans-117.8136.1178.7-59.1-77.4000109.6A341A341-F343 PolarHBondContact O-N 3.1Å
344P78.8Confident77.5Confident103 Ų103129.8 Ų129.867%0.66973%0.733SS**  trans-61.2146.6168.827.4-32.5000109.2N346P344-N346 PolarHBondContact O-N 3.18Å
345P76.7Confident77.8Confident88 Ų88130.4 Ų130.457%0.57173%0.73SS**  trans-56.3124.8171.119.1-27.8000109.6F347P345-F347 VanDerWaalsContact C-N 3.32Å; P345-F347 HydrophobicContact CB-CE2 4.07Å; P345-F347 HydrophobicContact CB-CZ 4.1Å; P345-F347 HydrophobicContact CG-CD2 4.43Å; P345-F347 HydrophobicContact CG-CE2 3.62Å; P345-F347 HydrophobicContact CG-CZ 3.78Å; P345-F347 WeakPolarHBondContact O-CD2 3.5Å; P345-F347 PolarHBondContact O-N 3.29Å
346N75.1Confident78.3Confident164 Ų164133.5 Ų133.588%0.87774%0.741SS**  trans-73.890.1170.9-95-5.5000108.4P344P344-N346 PolarHBondContact O-N 3.18Å
347F76Confident78.7Confident174 Ų174134.8 Ų134.876%0.76374%0.741SS**PPolyproline II helixtrans-65.8136.4165.3-62.9-73.6000108.6P345 E349P345-F347 VanDerWaalsContact C-N 3.32Å; P345-F347 HydrophobicContact CB-CE2 4.07Å; P345-F347 HydrophobicContact CB-CZ 4.1Å; P345-F347 HydrophobicContact CG-CD2 4.43Å; P345-F347 HydrophobicContact CG-CE2 3.62Å; P345-F347 HydrophobicContact CG-CZ 3.78Å; P345-F347 WeakPolarHBondContact O-CD2 3.5Å; P345-F347 PolarHBondContact O-N 3.29Å; F347-E349 PolarHBondContact O-N 2.87Å
348R75.3Confident78.9Confident242 Ų242133.7 Ų133.791%0.91373%0.725SS**PPolyproline II helixtrans-62.6131.5167.9-72.5-176.1176.4174.1-0.3107.6
349E78.5Confident79.2Confident181 Ų181131.4 Ų131.485%0.84671%0.708SS**PPolyproline II helixtrans-58.1136.1169.2-70.8-177.517400108.6F347F347-E349 PolarHBondContact O-N 2.87Å
350P76.9Confident79.4Confident121 Ų121126.5 Ų126.579%0.78669%0.687SS**PPolyproline II helixtrans-59.6142.617625.1-32.3000109.5
351C81Confident79.5Confident114 Ų114127.8 Ų127.877%0.7769%0.688SS**PPolyproline II helixtrans-59.9151.5171.3-66.80000110.2
352P82.4Confident79.6Confident112 Ų112129.2 Ų129.273%0.72768%0.679SS**PPolyproline II helixtrans-57.2149.1171.225.4-33.6000110.2
353P81.8Confident79.4Confident79 Ų79128.6 Ų128.651%0.51367%0.668SS.*PPolyproline II helixtrans-58.3142.5-18022.8-32.4000111L355 F358P353-L355 PolarHBondContact O-N 3.47Å; P353-F358 HydrophobicContact CB-CE2 3.93Å; P353-F358 HydrophobicContact CB-CZ 4.31Å; P353-F358 HydrophobicContact CG-CE2 3.73Å; P353-F358 HydrophobicContact CG-CZ 3.79Å
354P82.7Confident79.4Confident77 Ų77128 Ų12850%0.567%0.665SS.*PPolyproline II helixtrans-55.4135.9175.7-23.831.7000111.6E356 L357P354-E356 PolarHBondContact O-N 3.24Å; P354-E356 VanDerWaalsContact O-N 3.12Å; P354-L357 HydrophobicContact CB-CG 4.43Å; P354-L357 HydrophobicContact CG-CD1 4.4Å; P354-L357 WeakPolarHBondContact O-CB 3.38Å; P354-L357 PolarHBondContact O-N 2.98Å
355L80.4Confident79.7Confident124 Ų124124.2 Ų124.265%0.64964%0.641SS**G310 helixtrans-56.2-28.1177.3-80.7153.1000112.8P353 L357 F358 L360P353-L355 PolarHBondContact O-N 3.47Å; L355-L357 PolarHBondContact O-N 3.35Å; L355-F358 PolarHBondContact O-N 3.14Å; L355-F358 VanDerWaalsContact O-N 3.13Å; L355-L360 HydrophobicContact CD2-CD2 4.24Å
356E80.9Confident80.3Confident186 Ų186124.1 Ų124.187%0.86964%0.639SS**G310 helixtrans-63-20178.2-63.4168.5-173.900113.7P354 F358P354-E356 PolarHBondContact O-N 3.24Å; P354-E356 VanDerWaalsContact O-N 3.12Å; E356-F358 VanDerWaalsContact C-N 3.28Å
357L81.3Confident80.9Confident132 Ų132119.8 Ų119.869%0.69162%0.62SS**G310 helixtrans-81.5-7.5177.2-62.2179.7000113.3P354 L355P354-L357 HydrophobicContact CB-CG 4.43Å; P354-L357 HydrophobicContact CG-CD1 4.4Å; P354-L357 WeakPolarHBondContact O-CB 3.38Å; P354-L357 PolarHBondContact O-N 2.98Å; L355-L357 PolarHBondContact O-N 3.35Å
358F80.6Confident81.6Confident95 Ų95119.8 Ų119.842%0.41762%0.62SS.*SBendtrans-106.6134.2-179.6-64.8-90.5000110.1P353 L355 E356 L360 Q363P353-F358 HydrophobicContact CB-CE2 3.93Å; P353-F358 HydrophobicContact CB-CZ 4.31Å; P353-F358 HydrophobicContact CG-CE2 3.73Å; P353-F358 HydrophobicContact CG-CZ 3.79Å; L355-F358 PolarHBondContact O-N 3.14Å; L355-F358 VanDerWaalsContact O-N 3.13Å; E356-F358 VanDerWaalsContact C-N 3.28Å; F358-L360 VanDerWaalsContact C-N 3.32Å; F358-L360 HydrophobicContact CB-CD2 3.98Å; F358-L360 PolarHBondContact O-N 3.37Å; F358-Q363 HydrophobicContact CB-CG 4.4Å; F358-Q363 HydrophobicContact CD1-CG 4.45Å
359D80.1Confident82.2Confident93 Ų93110.2 Ų110.250%0.49759%0.592SS.*  trans-69.195.3164.1-173.5-26.9000108D361 E362 Q363D359-D361 PolarHBondContact O-N 3.1Å; D359-D361 PolarHBondContact OD1-N 2.93Å; D359-D361 VanDerWaalsContact OD1-N 3.1Å; D359-E362 HydrophobicContact CB-CB 3.82Å; D359-E362 WeakPolarHBondContact O-CB 3.23Å; D359-E362 PolarHBondContact O-N 3.09Å; D359-E362 PolarHBondContact OD1-N 3.23Å; D359-Q363 VanDerWaalsContact O-CG 3.3Å; D359-Q363 WeakPolarHBondContact O-CG 3.31Å; D359-Q363 PolarHBondContact O-N 3.27Å
360L80.7Confident82.6Confident75 Ų75106 Ų10639%0.39357%0.568SS.*Hα-helixtrans-63.5-31.3-175.8-56.7-173.6000111.7L355 F358 Q363 F364L355-L360 HydrophobicContact CD2-CD2 4.24Å; F358-L360 VanDerWaalsContact C-N 3.32Å; F358-L360 HydrophobicContact CB-CD2 3.98Å; F358-L360 PolarHBondContact O-N 3.37Å; L360-Q363 PolarHBondContact O-N 3.24Å; L360-F364 HydrophobicContact CB-CD2 4Å; L360-F364 HydrophobicContact CB-CE2 4.26Å; L360-F364 HydrophobicContact CD2-CE2 3.99Å; L360-F364 VanDerWaalsContact O-CB 3.31Å; L360-F364 WeakPolarHBondContact O-CB 3.02Å; L360-F364 VanDerWaalsContact O-CD2 3.23Å; L360-F364 WeakPolarHBondContact O-CD2 3.43Å; L360-F364 PolarHBondContact O-N 2.96Å
361D78.4Confident83.2Confident136 Ų136102.2 Ų102.273%0.72754%0.541SS*.Hα-helixtrans-68.5-42.7176.5-77.8-27.5000109.9D359 S365D359-D361 PolarHBondContact O-N 3.1Å; D359-D361 PolarHBondContact OD1-N 2.93Å; D359-D361 VanDerWaalsContact OD1-N 3.1Å; D361-S365 WeakPolarHBondContact O-CA 3.29Å; D361-S365 WeakPolarHBondContact O-CB 3.49Å; D361-S365 PolarHBondContact O-N 3.48Å; D361-S365 PolarHBondContact O-OG 3.06Å
362E77.3Confident83.7Confident118 Ų11899.1 Ų99.155%0.55152%0.524SS*.Hα-helixtrans-61.3-48.7173.1-171.2177.4-171.500111.4D359 S365D359-E362 HydrophobicContact CB-CB 3.82Å; D359-E362 WeakPolarHBondContact O-CB 3.23Å; D359-E362 PolarHBondContact O-N 3.09Å; D359-E362 PolarHBondContact OD1-N 3.23Å; E362-S365 PolarHBondContact O-OG 3.42Å
363Q80.5Confident83.9Confident119 Ų11998.6 Ų98.656%0.55651%0.512SS*.Hα-helixtrans-72.5-33.6-173.9-64.4-55.4-40.400114F358 D359 L360F358-Q363 HydrophobicContact CB-CG 4.4Å; F358-Q363 HydrophobicContact CD1-CG 4.45Å; D359-Q363 VanDerWaalsContact O-CG 3.3Å; D359-Q363 WeakPolarHBondContact O-CG 3.31Å; D359-Q363 PolarHBondContact O-N 3.27Å; L360-Q363 PolarHBondContact O-N 3.24Å
364F82Confident84.2Confident154 Ų15495.5 Ų95.568%0.67549%0.492SS*.Hα-helixtrans-101-2.3-179.4-64.7-64.5000114L360 T366L360-F364 HydrophobicContact CB-CD2 4Å; L360-F364 HydrophobicContact CB-CE2 4.26Å; L360-F364 HydrophobicContact CD2-CE2 3.99Å; L360-F364 VanDerWaalsContact O-CB 3.31Å; L360-F364 WeakPolarHBondContact O-CB 3.02Å; L360-F364 VanDerWaalsContact O-CD2 3.23Å; L360-F364 WeakPolarHBondContact O-CD2 3.43Å; L360-F364 PolarHBondContact O-N 2.96Å; F364-T366 PolarHBondContact O-N 3.38Å
365S85.7Confident84.6Confident25 Ų2595.1 Ų95.118%0.17549%0.488CS..  trans-57.8125.117853.90000111.5D361 E362 R370D361-S365 WeakPolarHBondContact O-CA 3.29Å; D361-S365 WeakPolarHBondContact O-CB 3.49Å; D361-S365 PolarHBondContact O-N 3.48Å; D361-S365 PolarHBondContact O-OG 3.06Å; E362-S365 PolarHBondContact O-OG 3.42Å; S365-R370 WeakPolarHBondContact OG-CD 3.49Å; S365-R370 WeakPolarHBondContact OG-CG 3.4Å
366T89Confident85Confident85 Ų8596 Ų9652%0.52149%0.493SS..  trans-60.6150.5175.566.80000110.4F364 K368 A369 R370F364-T366 PolarHBondContact O-N 3.38Å; T366-K368 PolarHBondContact O-N 3.09Å; T366-A369 WeakPolarHBondContact O-CB 3.49Å; T366-A369 PolarHBondContact O-N 3.44Å; T366-A369 PolarHBondContact OG1-N 3.02Å; T366-R370 PolarHBondContact O-N 2.87Å
367P88.2Confident85.3Confident73 Ų7395 Ų9547%0.47449%0.486SS..Hα-helixtrans-51-37177-28.934.9000113.1R370 L371 I393P367-R370 PolarHBondContact O-N 3.41Å; P367-L371 WeakPolarHBondContact O-CB 3.2Å; P367-L371 VanDerWaalsContact O-CG 3.24Å; P367-L371 WeakPolarHBondContact O-CG 2.96Å; P367-L371 PolarHBondContact O-N 2.83Å; P367-I393 HydrophobicContact CB-CG2 4.02Å
368K90.3Very high85.7Confident175 Ų17589.8 Ų89.876%0.76146%0.461SS*.Hα-helixtrans-63.6-41.5176.4-172.3178.4-179.7-179.40113T366 A372T366-K368 PolarHBondContact O-N 3.09Å; K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 3.43Å; K368-A372 VanDerWaalsContact O-N 3.09Å
369A88.1Confident86Confident40 Ų4089.7 Ų89.733%0.33146%0.464SS..Hα-helixtrans-68.3-42.517800000111.3T366 A372 Q373T366-A369 WeakPolarHBondContact O-CB 3.49Å; T366-A369 PolarHBondContact O-N 3.44Å; T366-A369 PolarHBondContact OG1-N 3.02Å; A369-A372 PolarHBondContact O-N 3.18Å; A369-Q373 WeakPolarHBondContact O-CG 3.5Å; A369-Q373 PolarHBondContact O-N 3.21Å
370R87.1Confident86.2Confident92 Ų9293.9 Ų93.935%0.34748%0.481SS..Hα-helixtrans-61.2-45.9175.9-66.118066-167.3-4.1111.8S365 T366 P367 A372 Q373 V374 I393S365-R370 WeakPolarHBondContact OG-CD 3.49Å; S365-R370 WeakPolarHBondContact OG-CG 3.4Å; T366-R370 PolarHBondContact O-N 2.87Å; P367-R370 PolarHBondContact O-N 3.41Å; R370-A372 VanDerWaalsContact C-N 3.35Å; R370-A372 PolarHBondContact O-N 3.34Å; R370-Q373 PolarHBondContact O-N 3.06Å; R370-V374 WeakPolarHBondContact O-CG2 3.35Å; R370-V374 PolarHBondContact O-N 3.34Å; R370-I393 HydrophobicContact CB-CD1 3.77Å; R370-I393 HydrophobicContact CB-CG1 4.04Å; R370-I393 HydrophobicContact CB-CG2 3.92Å
371L89.5Confident86.6Confident43 Ų4397.6 Ų97.623%0.22550%0.501CS..Hα-helixtrans-57.7-48174.9-72.2170.9000111P367 Q373 V374 T375 C390 I393 L394P367-L371 WeakPolarHBondContact O-CB 3.2Å; P367-L371 VanDerWaalsContact O-CG 3.24Å; P367-L371 WeakPolarHBondContact O-CG 2.96Å; P367-L371 PolarHBondContact O-N 2.83Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.43Å; L371-V374 PolarHBondContact O-N 3.06Å; L371-T375 PolarHBondContact O-N 3.19Å; L371-T375 PolarHBondContact O-OG1 2.98Å; L371-C390 HydrophobicContact CD2-CB 3.73Å; L371-C390 WeakPolarHBondContact CD2-SG 2.8Å; L371-I393 HydrophobicContact CD2-CB 4.33Å; L371-I393 HydrophobicContact CD2-CD1 4.19Å; L371-I393 HydrophobicContact CD2-CG2 4.21Å; L371-I393 HydrophobicContact CG-CG2 3.99Å; L371-L394 HydrophobicContact CD1-CD2 4.16Å
372A89.8Confident87.1Confident49 Ų4994.2 Ų94.241%0.40548%0.483SS..Hα-helixtrans-60.9-38.8178.300000113K368 A369 R370 T375 N376K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 3.43Å; K368-A372 VanDerWaalsContact O-N 3.09Å; A369-A372 PolarHBondContact O-N 3.18Å; R370-A372 VanDerWaalsContact C-N 3.35Å; R370-A372 PolarHBondContact O-N 3.34Å; A372-T375 PolarHBondContact O-N 3.25Å; A372-N376 VanDerWaalsContact O-CG 3.29Å; A372-N376 PolarHBondContact O-N 3.34Å; A372-N376 PolarHBondContact O-ND2 3.09Å
373Q86.8Confident87.6Confident100 Ų10093.4 Ų93.447%0.46748%0.482SS..Hα-helixtrans-64.4-43.3175.1-73.3177.60.300112A369 R370 L371 N376 K377A369-Q373 WeakPolarHBondContact O-CG 3.5Å; A369-Q373 PolarHBondContact O-N 3.21Å; R370-Q373 PolarHBondContact O-N 3.06Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.43Å; Q373-N376 PolarHBondContact O-N 3.28Å; Q373-K377 VanDerWaalsContact O-CG 3.29Å; Q373-K377 WeakPolarHBondContact O-CG 3.44Å; Q373-K377 PolarHBondContact O-N 2.9Å; Q373-K377 VanDerWaalsContact O-N 3.14Å
374V88.8Confident88Confident15 Ų1591.6 Ų91.69%0.09147%0.474CS..Hα-helixtrans-65.5-42.3177.1174.90000110.5R370 L371 N376 K377 C378 Y386 E389 I393R370-V374 WeakPolarHBondContact O-CG2 3.35Å; R370-V374 PolarHBondContact O-N 3.34Å; L371-V374 PolarHBondContact O-N 3.06Å; V374-N376 VanDerWaalsContact C-N 3.29Å; V374-N376 PolarHBondContact O-N 3.45Å; V374-K377 PolarHBondContact O-N 2.93Å; V374-K377 VanDerWaalsContact O-N 3.09Å; V374-C378 PolarHBondContact O-N 2.87Å; V374-C378 VanDerWaalsContact O-N 3.1Å; V374-C378 PolarHBondContact O-SG 2.94Å; V374-Y386 HydrophobicContact CG1-CD2 3.64Å; V374-Y386 HydrophobicContact CG1-CE2 3.95Å; V374-E389 HydrophobicContact CG1-CB 4.05Å; V374-E389 HydrophobicContact CG2-CB 4.4Å; V374-I393 HydrophobicContact CG2-CD1 3.81Å
375T90Very high88.3Confident69 Ų6989.6 Ų89.642%0.42346%0.462SS..Hα-helixtrans-60-37.5175.2-50.70000112.5L371 A372 K377 Y386L371-T375 PolarHBondContact O-N 3.19Å; L371-T375 PolarHBondContact O-OG1 2.98Å; A372-T375 PolarHBondContact O-N 3.25Å; T375-K377 VanDerWaalsContact C-N 3.33Å; T375-Y386 HydrophobicContact CG2-CE2 4.5Å; T375-Y386 PolarHBondContact OG1-OH 3.11Å
376N89.6Confident88.6Confident142 Ų14291.7 Ų91.776%0.75947%0.467SS*.Hα-helixtrans-76.1-19.7177.7-70.9-27.1000113.6A372 Q373 V374A372-N376 VanDerWaalsContact O-CG 3.29Å; A372-N376 PolarHBondContact O-N 3.34Å; A372-N376 PolarHBondContact O-ND2 3.09Å; Q373-N376 PolarHBondContact O-N 3.28Å; V374-N376 VanDerWaalsContact C-N 3.29Å; V374-N376 PolarHBondContact O-N 3.45Å
377K87.2Confident88.6Confident164 Ų16488.8 Ų88.871%0.71345%0.448SS*.Hα-helixtrans-87.8-31.1-180-76.8175.1179.9-178.60112.9Q373 V374 T375Q373-K377 VanDerWaalsContact O-CG 3.29Å; Q373-K377 WeakPolarHBondContact O-CG 3.44Å; Q373-K377 PolarHBondContact O-N 2.9Å; Q373-K377 VanDerWaalsContact O-N 3.14Å; V374-K377 PolarHBondContact O-N 2.93Å; V374-K377 VanDerWaalsContact O-N 3.09Å; T375-K377 VanDerWaalsContact C-N 3.33Å
378C89.2Confident88.6Confident24 Ų2489.3 Ų89.316%0.16244%0.441CS..  trans-96.1148-172.8-63.70000112.6V374 D382 Y386V374-C378 PolarHBondContact O-N 2.87Å; V374-C378 VanDerWaalsContact O-N 3.1Å; V374-C378 PolarHBondContact O-SG 2.94Å; C378-D382 HydrophobicContact CB-CB 3.94Å; C378-Y386 HydrophobicContact CB-CD2 3.98Å; C378-Y386 HydrophobicContact CB-CG 4.48Å
379N87.8Confident88.5Confident93 Ų9383.4 Ų83.450%0.49742%0.416SS..  trans-111-171.3168.165.327.4000111.1D381 D382N379-D381 VanDerWaalsContact C-N 3.25Å; N379-D381 PolarHBondContact O-N 3.01Å; N379-D381 WeakPolarHBondContact OD1-CA 3.46Å; N379-D381 WeakPolarHBondContact OD1-CB 3.5Å; N379-D381 PolarHBondContact OD1-N 3.29Å; N379-D382 PolarHBondContact N-OD2 3.43Å; N379-D382 PolarHBondContact O-N 3.36Å; N379-D382 PolarHBondContact OD1-N 3.31Å; N379-D382 PolarHBondContact OD1-OD2 2.96Å
380E84.9Confident88.6Confident181 Ų18182.2 Ų82.285%0.84640%0.404SS*.G310 helixtrans-63.3-27.6-179.9-66.8-176.2175.600113.6D382E380-D382 VanDerWaalsContact C-N 3.33Å
381D87.8Confident88.7Confident152 Ų15277.8 Ų77.881%0.81339%0.388SS*.G310 helixtrans-75.9-23.4179.5-60.9-40.3000112N379 L383N379-D381 VanDerWaalsContact C-N 3.25Å; N379-D381 PolarHBondContact O-N 3.01Å; N379-D381 WeakPolarHBondContact OD1-CA 3.46Å; N379-D381 WeakPolarHBondContact OD1-CB 3.5Å; N379-D381 PolarHBondContact OD1-N 3.29Å; D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 2.98Å
382D89.4Confident88.6Confident65 Ų6579.1 Ų79.135%0.34840%0.395SS..G310 helixtrans-9015.1-176.9-61.7-44.4000113.8C378 N379 E380 E384 Y385 Y386C378-D382 HydrophobicContact CB-CB 3.94Å; N379-D382 PolarHBondContact N-OD2 3.43Å; N379-D382 PolarHBondContact O-N 3.36Å; N379-D382 PolarHBondContact OD1-N 3.31Å; N379-D382 PolarHBondContact OD1-OD2 2.96Å; E380-D382 VanDerWaalsContact C-N 3.33Å; D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 PolarHBondContact O-N 2.89Å; D382-Y385 WeakPolarHBondContact O-CB 3.22Å; D382-Y385 PolarHBondContact O-N 2.95Å; D382-Y386 PolarHBondContact O-N 3.1Å
383L87.9Confident88.5Confident102 Ų10277.4 Ų77.453%0.53438%0.379SS..Hα-helixtrans-55.6-40.6-169.2-168.872.5000113.8D381 Y386 I387D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 2.98Å; L383-Y386 PolarHBondContact O-N 3.36Å; L383-I387 HydrophobicContact CD1-CD1 4.46Å; L383-I387 HydrophobicContact CG-CD1 4.01Å; L383-I387 VanDerWaalsContact O-CG1 3.32Å; L383-I387 WeakPolarHBondContact O-CG1 3.44Å; L383-I387 PolarHBondContact O-N 3.45Å
384E87.8Confident88.6Confident81 Ų8177.1 Ų77.138%0.37938%0.38SS..Hα-helixtrans-67-37.9179.3177.866.5-155.500111.9D382 R388 S407D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 PolarHBondContact O-N 2.89Å; E384-R388 VanDerWaalsContact CG-NH2 3.31Å; E384-R388 WeakPolarHBondContact O-CB 3.45Å; E384-R388 PolarHBondContact O-N 2.91Å; E384-R388 IonicContact OE1-CZ 2.66Å; E384-R388 IonicContact OE1-NH2 2.66Å; E384-R388 PolarHBondContact OE1-NH2 3.09Å; E384-S407 WeakPolarHBondContact CA-OG 3.46Å; E384-S407 PolarHBondContact O-OG 3.19Å; E384-S407 VanDerWaalsContact O-OG 3.11Å; E384-S407 PolarHBondContact OE1-N 3.28Å; E384-S407 PolarHBondContact OE1-OG 2.98Å; E384-S407 WeakPolarHBondContact OE2-CB 3.43Å; E384-S407 PolarHBondContact OE2-OG 2.93Å
385Y88.7Confident88.5Confident112 Ų11277.3 Ų77.344%0.43939%0.385SS..Hα-helixtrans-69.7-45.6174.6173.2-96.6000110.6D382 I387 R388 E389D382-Y385 WeakPolarHBondContact O-CB 3.22Å; D382-Y385 PolarHBondContact O-N 2.95Å; Y385-I387 PolarHBondContact O-N 3.32Å; Y385-R388 PolarHBondContact O-N 3.48Å; Y385-E389 HydrophobicContact CD1-CG 4.18Å; Y385-E389 HydrophobicContact CD2-CG 4.15Å; Y385-E389 HydrophobicContact CE1-CG 3.7Å; Y385-E389 HydrophobicContact CE2-CG 3.67Å; Y385-E389 HydrophobicContact CG-CG 4.39Å; Y385-E389 VanDerWaalsContact CZ-CG 3.43Å; Y385-E389 PolarHBondContact O-N 3.03Å
386Y91.8Very high88.2Confident68 Ų6874.3 Ų74.327%0.26737%0.367SS..Hα-helixtrans-54-49.1178.4178.8-101.9000112.2V374 T375 C378 D382 L383 C390V374-Y386 HydrophobicContact CG1-CD2 3.64Å; V374-Y386 HydrophobicContact CG1-CE2 3.95Å; T375-Y386 HydrophobicContact CG2-CE2 4.5Å; T375-Y386 PolarHBondContact OG1-OH 3.11Å; C378-Y386 HydrophobicContact CB-CD2 3.98Å; C378-Y386 HydrophobicContact CB-CG 4.48Å; D382-Y386 PolarHBondContact O-N 3.1Å; L383-Y386 PolarHBondContact O-N 3.36Å; Y386-C390 WeakPolarHBondContact O-CB 3.32Å; Y386-C390 PolarHBondContact O-N 2.94Å; Y386-C390 PolarHBondContact O-SG 2.53Å
387I90.4Very high87.6Confident24 Ų2467.6 Ų67.612%0.12333%0.331CS..Hα-helixtrans-67-39.1-178.9-65.5164000111.3L383 Y385 C390 G391 I410 L411L383-I387 HydrophobicContact CD1-CD1 4.46Å; L383-I387 HydrophobicContact CG-CD1 4.01Å; L383-I387 VanDerWaalsContact O-CG1 3.32Å; L383-I387 WeakPolarHBondContact O-CG1 3.44Å; L383-I387 PolarHBondContact O-N 3.45Å; Y385-I387 PolarHBondContact O-N 3.32Å; I387-C390 PolarHBondContact O-N 3.19Å; I387-G391 PolarHBondContact O-N 3.24Å; I387-I410 HydrophobicContact CG2-CB 4.24Å; I387-I410 HydrophobicContact CG2-CG2 4.13Å; I387-L411 HydrophobicContact CD1-CD1 3.96Å; I387-L411 HydrophobicContact CD1-CG 4.47Å; I387-L411 HydrophobicContact CG2-CD2 4.44Å; I387-L411 HydrophobicContact CG2-CG 4.11Å
388R87.8Confident87.3Confident85 Ų8568.1 Ų68.132%0.32134%0.336SS..Hα-helixtrans-64.7-49.5179.1-166.5-178.9-56.6115.66.2111.8E384 Y385 C390 G391 D392 I410E384-R388 VanDerWaalsContact CG-NH2 3.31Å; E384-R388 WeakPolarHBondContact O-CB 3.45Å; E384-R388 PolarHBondContact O-N 2.91Å; E384-R388 IonicContact OE1-CZ 2.66Å; E384-R388 IonicContact OE1-NH2 2.66Å; E384-R388 PolarHBondContact OE1-NH2 3.09Å; Y385-R388 PolarHBondContact O-N 3.48Å; R388-C390 VanDerWaalsContact C-N 3.33Å; R388-C390 PolarHBondContact O-N 2.99Å; R388-G391 WeakPolarHBondContact O-CA 3.33Å; R388-G391 PolarHBondContact O-N 3.25Å; R388-G391 VanDerWaalsContact O-N 3.1Å; R388-D392 PolarHBondContact O-N 3.44Å; R388-I410 HydrophobicContact CB-CD1 4.47Å; R388-I410 HydrophobicContact CG-CD1 4.36Å
389E88.4Confident86.8Confident51 Ų5173.5 Ų73.524%0.23836%0.356CS..Hα-helixtrans-61.1-41.7176.7-73.2-60.4133.500111.8V374 Y385 G391 D392 I393V374-E389 HydrophobicContact CG1-CB 4.05Å; V374-E389 HydrophobicContact CG2-CB 4.4Å; Y385-E389 HydrophobicContact CD1-CG 4.18Å; Y385-E389 HydrophobicContact CD2-CG 4.15Å; Y385-E389 HydrophobicContact CE1-CG 3.7Å; Y385-E389 HydrophobicContact CE2-CG 3.67Å; Y385-E389 HydrophobicContact CG-CG 4.39Å; Y385-E389 VanDerWaalsContact CZ-CG 3.43Å; Y385-E389 PolarHBondContact O-N 3.03Å; E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.42Å; E389-D392 PolarHBondContact O-N 3.22Å; E389-I393 WeakPolarHBondContact O-CD1 3.29Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.05Å; E389-I393 PolarHBondContact O-N 3.05Å
390C90.7Very high86.3Confident14 Ų1470.5 Ų70.510%0.09534%0.341CS..Hα-helixtrans-63.5-38.1174.8-68.80000111.9L371 Y386 I387 R388 D392 I393 L394L371-C390 HydrophobicContact CD2-CB 3.73Å; L371-C390 WeakPolarHBondContact CD2-SG 2.8Å; Y386-C390 WeakPolarHBondContact O-CB 3.32Å; Y386-C390 PolarHBondContact O-N 2.94Å; Y386-C390 PolarHBondContact O-SG 2.53Å; I387-C390 PolarHBondContact O-N 3.19Å; R388-C390 VanDerWaalsContact C-N 3.33Å; R388-C390 PolarHBondContact O-N 2.99Å; C390-D392 VanDerWaalsContact C-N 3.35Å; C390-I393 PolarHBondContact O-N 2.63Å; C390-L394 WeakPolarHBondContact O-CB 3.24Å; C390-L394 VanDerWaalsContact O-CG 3.29Å; C390-L394 WeakPolarHBondContact O-CG 3.46Å; C390-L394 PolarHBondContact O-N 3.03Å
391G88.8Confident85.9Confident0 Ų065 Ų650%032%0.322CS..Hα-helixtrans-61.7-40.4173.600000112.9I387 R388 E389 G395 V396 S397I387-G391 PolarHBondContact O-N 3.24Å; R388-G391 WeakPolarHBondContact O-CA 3.33Å; R388-G391 PolarHBondContact O-N 3.25Å; R388-G391 VanDerWaalsContact O-N 3.1Å; E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.42Å; G391-G395 PolarHBondContact O-N 3.15Å; G391-G395 VanDerWaalsContact O-N 3.15Å; G391-V396 PolarHBondContact O-N 3.48Å; G391-S397 PolarHBondContact O-N 3.35Å; G391-S397 PolarHBondContact O-OG 3.02Å
392D87.1Confident85.1Confident70 Ų7063.6 Ų63.637%0.37432%0.319SS..Hα-helixtrans-67-46.6175.7-77.47.4000111.3R388 E389 C390 L394 G395 S397R388-D392 PolarHBondContact O-N 3.44Å; E389-D392 PolarHBondContact O-N 3.22Å; C390-D392 VanDerWaalsContact C-N 3.35Å; D392-L394 VanDerWaalsContact C-N 3.28Å; D392-L394 PolarHBondContact O-N 3.26Å; D392-G395 PolarHBondContact O-N 3.37Å; D392-S397 PolarHBondContact N-OG 2.88Å; D392-S397 WeakPolarHBondContact OD1-CB 3.38Å; D392-S397 PolarHBondContact OD1-OG 2.89Å
393I88.3Confident84.4Confident14 Ų1468 Ų687%0.07234%0.343CS..Hα-helixtrans-60.6-38.3178.4-67.6161.6000111.6P367 R370 L371 V374 E389 C390 G395P367-I393 HydrophobicContact CB-CG2 4.02Å; R370-I393 HydrophobicContact CB-CD1 3.77Å; R370-I393 HydrophobicContact CB-CG1 4.04Å; R370-I393 HydrophobicContact CB-CG2 3.92Å; L371-I393 HydrophobicContact CD2-CB 4.33Å; L371-I393 HydrophobicContact CD2-CD1 4.19Å; L371-I393 HydrophobicContact CD2-CG2 4.21Å; L371-I393 HydrophobicContact CG-CG2 3.99Å; V374-I393 HydrophobicContact CG2-CD1 3.81Å; E389-I393 WeakPolarHBondContact O-CD1 3.29Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.05Å; E389-I393 PolarHBondContact O-N 3.05Å; C390-I393 PolarHBondContact O-N 2.63Å; I393-G395 VanDerWaalsContact C-N 3.3Å
394L88.3Confident83.6Confident94 Ų9468.8 Ų68.849%0.49234%0.342SS..THydrogen-bonded Turntrans-83.1-3.7178.5-67.2173.2000113.4L371 C390 D392 V396L371-L394 HydrophobicContact CD1-CD2 4.16Å; C390-L394 WeakPolarHBondContact O-CB 3.24Å; C390-L394 VanDerWaalsContact O-CG 3.29Å; C390-L394 WeakPolarHBondContact O-CG 3.46Å; C390-L394 PolarHBondContact O-N 3.03Å; D392-L394 VanDerWaalsContact C-N 3.28Å; D392-L394 PolarHBondContact O-N 3.26Å; L394-V396 HydrophobicContact CB-CG2 4.07Å; L394-V396 PolarHBondContact O-N 3.05Å
395G85.7Confident82.8Confident19 Ų1967.3 Ų67.320%0.19634%0.335CS..THydrogen-bonded Turntrans71.414.7-178.900000114.4G391 D392 I393G391-G395 PolarHBondContact O-N 3.15Å; G391-G395 VanDerWaalsContact O-N 3.15Å; D392-G395 PolarHBondContact O-N 3.37Å; I393-G395 VanDerWaalsContact C-N 3.3Å
396V84.1Confident82.5Confident5 Ų565.1 Ų65.13%0.0333%0.334CS..  trans-69.7-40.2177.1179.10000110.1G391 L394 Q398 K399 I410 V413 I414G391-V396 PolarHBondContact O-N 3.48Å; L394-V396 HydrophobicContact CB-CG2 4.07Å; L394-V396 PolarHBondContact O-N 3.05Å; V396-Q398 PolarHBondContact O-N 2.97Å; V396-K399 WeakPolarHBondContact O-CB 3.39Å; V396-K399 PolarHBondContact O-N 3.4Å; V396-I410 HydrophobicContact CG1-CG2 4.23Å; V396-V413 HydrophobicContact CG1-CB 3.95Å; V396-V413 HydrophobicContact CG1-CG1 3.75Å; V396-I414 HydrophobicContact CG2-CD1 4.31Å; V396-I414 HydrophobicContact CG2-CG1 3.98Å
397S78.2Confident82.1Confident2 Ų262.1 Ų62.11%0.01432%0.322CS..G310 helixtrans-60.7-33.5179.7-58.20000112.6G391 D392 K399 L400 M405G391-S397 PolarHBondContact O-N 3.35Å; G391-S397 PolarHBondContact O-OG 3.02Å; D392-S397 PolarHBondContact N-OG 2.88Å; D392-S397 WeakPolarHBondContact OD1-CB 3.38Å; D392-S397 PolarHBondContact OD1-OG 2.89Å; S397-K399 PolarHBondContact O-N 3.33Å; S397-L400 PolarHBondContact O-N 3.38Å; S397-M405 VanDerWaalsContact CB-SD 3.52Å; S397-M405 WeakPolarHBondContact O-CE 3.35Å
398Q79.9Confident82Confident174 Ų17471 Ų7181%0.81335%0.354SS*.G310 helixtrans-64.1-21.7176.6-62.4179.43.900113.3V396 L400V396-Q398 PolarHBondContact O-N 2.97Å; Q398-L400 VanDerWaalsContact C-N 3.35Å
399K78.6Confident81.9Confident137 Ų13769 Ų6960%0.59635%0.35SS*.G310 helixtrans-84.1-11.3175.6-60.2174178.6167.80112.7V396 S397 E417V396-K399 WeakPolarHBondContact O-CB 3.39Å; V396-K399 PolarHBondContact O-N 3.4Å; S397-K399 PolarHBondContact O-N 3.33Å; K399-E417 IonicContact NZ-OE1 3.97Å; K399-E417 PolarHBondContact NZ-OE1 3.17Å
400L77.6Confident81.8Confident31 Ų3166.6 Ų66.616%0.16234%0.339CS..SBendtrans-105.5143.7-175.3-66.1171.1000110.8S397 Q398 M405 I409 I410 V413S397-L400 PolarHBondContact O-N 3.38Å; Q398-L400 VanDerWaalsContact C-N 3.35Å; L400-M405 HydrophobicContact CB-SD 3.89Å; L400-M405 HydrophobicContact CD1-SD 4.46Å; L400-I409 HydrophobicContact CD1-CG2 4.01Å; L400-I409 HydrophobicContact CD2-CG2 3.78Å; L400-I410 HydrophobicContact CD1-CG1 4Å; L400-V413 HydrophobicContact CD2-CG2 4.07Å
401S75.5Confident81.8Confident65 Ų6569.1 Ų69.146%0.45535%0.351SS..  trans-66.3147166.654.50000110.2D403 K404S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 VanDerWaalsContact O-N 3.09Å; S401-K404 WeakPolarHBondContact O-CA 3.44Å; S401-K404 PolarHBondContact O-N 3.09Å; S401-K404 WeakPolarHBondContact OG-CG 3.47Å
402T72.9Confident81.7Confident122 Ų12274.4 Ų74.475%0.74838%0.375SS*.G310 helixtrans-49.4-40.3-176.7-43.20000113.9K404 M405T402-K404 PolarHBondContact O-N 3.4Å; T402-M405 VanDerWaalsContact O-CG 3.31Å; T402-M405 WeakPolarHBondContact O-CG 3.39Å; T402-M405 PolarHBondContact O-N 3.22Å
403D73.7Confident81.7Confident158 Ų15872.7 Ų72.785%0.84537%0.367SS*.G310 helixtrans-69.1-14.3178.9-67.5-26.4000114.3S401S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 VanDerWaalsContact O-N 3.09Å
404K72.2Confident81.6Confident118 Ų11874.5 Ų74.551%0.51338%0.377SS..G310 helixtrans-105.112.8-177.7-67.4-173-179.4-178.90113.3S401 T402 T406 I409S401-K404 WeakPolarHBondContact O-CA 3.44Å; S401-K404 PolarHBondContact O-N 3.09Å; S401-K404 WeakPolarHBondContact OG-CG 3.47Å; T402-K404 PolarHBondContact O-N 3.4Å; K404-T406 PolarHBondContact O-N 3.17Å; K404-I409 HydrophobicContact CB-CD1 3.86Å; K404-I409 HydrophobicContact CG-CD1 4.23Å; K404-I409 WeakPolarHBondContact O-CB 3.03Å; K404-I409 WeakPolarHBondContact O-CD1 3.31Å
405M69.5Low81.7Confident51 Ų5176 Ų7625%0.25138%0.379SS..  trans-81.343.7-179.6-62.1-74.8-143.200112.9S397 L400 T402S397-M405 VanDerWaalsContact CB-SD 3.52Å; S397-M405 WeakPolarHBondContact O-CE 3.35Å; L400-M405 HydrophobicContact CB-SD 3.89Å; L400-M405 HydrophobicContact CD1-SD 4.46Å; T402-M405 VanDerWaalsContact O-CG 3.31Å; T402-M405 WeakPolarHBondContact O-CG 3.39Å; T402-M405 PolarHBondContact O-N 3.22Å
406T82.2Confident81.8Confident66 Ų6679.5 Ų79.541%0.40539%0.394SS..  trans-92.1144.7174.8-10.80000109.6K404 R408 I409 I410K404-T406 PolarHBondContact O-N 3.17Å; T406-R408 PolarHBondContact O-N 3.43Å; T406-I409 PolarHBondContact O-N 3.15Å; T406-I410 PolarHBondContact O-N 3.02Å; T406-I410 VanDerWaalsContact O-N 3.15Å
407S84.5Confident81.9Confident4 Ų483.7 Ų83.73%0.02841%0.413CS..Hα-helixtrans-52.4-36-179.4-60.40000113.8E384 I409 I410 L411E384-S407 WeakPolarHBondContact CA-OG 3.46Å; E384-S407 PolarHBondContact O-OG 3.19Å; E384-S407 VanDerWaalsContact O-OG 3.11Å; E384-S407 PolarHBondContact OE1-N 3.28Å; E384-S407 PolarHBondContact OE1-OG 2.98Å; E384-S407 WeakPolarHBondContact OE2-CB 3.43Å; E384-S407 PolarHBondContact OE2-OG 2.93Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 3.45Å; S407-I410 PolarHBondContact O-N 2.99Å; S407-L411 WeakPolarHBondContact O-CG 3.39Å; S407-L411 PolarHBondContact O-N 3.34Å
408R87.4Confident82.3Confident211 Ų21188.4 Ų88.480%0.79644%0.437SS*.Hα-helixtrans-60.8-40.9178-171.8175.6179.5177.80.4112.7T406 E412T406-R408 PolarHBondContact O-N 3.43Å; R408-E412 WeakPolarHBondContact O-CB 3.35Å; R408-E412 PolarHBondContact O-N 2.81Å
409I86.2Confident82.8Confident44 Ų4483.4 Ų83.423%0.22642%0.418CS..Hα-helixtrans-75.2-39.7-179-61.7174.2000109.9L400 K404 T406 S407 L411 E412 V413L400-I409 HydrophobicContact CD1-CG2 4.01Å; L400-I409 HydrophobicContact CD2-CG2 3.78Å; K404-I409 HydrophobicContact CB-CD1 3.86Å; K404-I409 HydrophobicContact CG-CD1 4.23Å; K404-I409 WeakPolarHBondContact O-CB 3.03Å; K404-I409 WeakPolarHBondContact O-CD1 3.31Å; T406-I409 PolarHBondContact O-N 3.15Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 3.45Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.03Å; I409-E412 WeakPolarHBondContact O-CB 3.31Å; I409-E412 PolarHBondContact O-N 3.34Å; I409-V413 VanDerWaalsContact O-CG2 3.31Å; I409-V413 WeakPolarHBondContact O-CG2 3.47Å; I409-V413 PolarHBondContact O-N 3.08Å
410I87.4Confident83.1Confident0 Ų082.1 Ų82.10%042%0.415CS..Hα-helixtrans-58-47.8174.5-65171.9000110.2I387 R388 V396 L400 T406 S407 E412 V413 I414I387-I410 HydrophobicContact CG2-CB 4.24Å; I387-I410 HydrophobicContact CG2-CG2 4.13Å; R388-I410 HydrophobicContact CB-CD1 4.47Å; R388-I410 HydrophobicContact CG-CD1 4.36Å; V396-I410 HydrophobicContact CG1-CG2 4.23Å; L400-I410 HydrophobicContact CD1-CG1 4Å; T406-I410 PolarHBondContact O-N 3.02Å; T406-I410 VanDerWaalsContact O-N 3.15Å; S407-I410 PolarHBondContact O-N 2.99Å; I410-E412 PolarHBondContact O-N 3.49Å; I410-V413 PolarHBondContact O-N 2.98Å; I410-I414 HydrophobicContact CG2-CD1 3.94Å; I410-I414 WeakPolarHBondContact O-CG1 3.46Å; I410-I414 PolarHBondContact O-N 3.19Å; I410-I414 VanDerWaalsContact O-N 3.08Å
411L88.8Confident83.4Confident66 Ų6687.3 Ų87.335%0.34644%0.436SS..Hα-helixtrans-61.6-43.1175.6-73.3175.9000112I387 S407 I409 V413 I414 F415I387-L411 HydrophobicContact CD1-CD1 3.96Å; I387-L411 HydrophobicContact CD1-CG 4.47Å; I387-L411 HydrophobicContact CG2-CD2 4.44Å; I387-L411 HydrophobicContact CG2-CG 4.11Å; S407-L411 WeakPolarHBondContact O-CG 3.39Å; S407-L411 PolarHBondContact O-N 3.34Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.03Å; L411-V413 VanDerWaalsContact C-N 3.32Å; L411-V413 PolarHBondContact O-N 3.5Å; L411-I414 PolarHBondContact O-N 3.45Å; L411-F415 HydrophobicContact CB-CD2 4.19Å; L411-F415 HydrophobicContact CB-CE2 4.21Å; L411-F415 HydrophobicContact CD2-CE2 4.42Å; L411-F415 WeakPolarHBondContact O-CB 3.37Å; L411-F415 WeakPolarHBondContact O-CD2 3.08Å; L411-F415 PolarHBondContact O-N 3.26Å
412E87.9Confident83.8Confident112 Ų11291.1 Ų91.152%0.52345%0.445SS..Hα-helixtrans-58.1-43.3177.6-175.9179.5175.200112.1R408 I409 I410 F415 N416R408-E412 WeakPolarHBondContact O-CB 3.35Å; R408-E412 PolarHBondContact O-N 2.81Å; I409-E412 WeakPolarHBondContact O-CB 3.31Å; I409-E412 PolarHBondContact O-N 3.34Å; I410-E412 PolarHBondContact O-N 3.49Å; E412-F415 PolarHBondContact O-N 2.68Å; E412-N416 WeakPolarHBondContact O-CB 3.43Å; E412-N416 VanDerWaalsContact O-CG 3.28Å; E412-N416 PolarHBondContact O-N 2.97Å; E412-N416 PolarHBondContact O-ND2 3.32Å
413V86.6Confident84.3Confident34 Ų3490.8 Ų90.821%0.20643%0.433CS..Hα-helixtrans-63.5-47176.9176.40000110.8V396 L400 I409 I410 L411 F415 N416 E417V396-V413 HydrophobicContact CG1-CB 3.95Å; V396-V413 HydrophobicContact CG1-CG1 3.75Å; L400-V413 HydrophobicContact CD2-CG2 4.07Å; I409-V413 VanDerWaalsContact O-CG2 3.31Å; I409-V413 WeakPolarHBondContact O-CG2 3.47Å; I409-V413 PolarHBondContact O-N 3.08Å; I410-V413 PolarHBondContact O-N 2.98Å; L411-V413 VanDerWaalsContact C-N 3.32Å; L411-V413 PolarHBondContact O-N 3.5Å; V413-F415 PolarHBondContact O-N 3.41Å; V413-N416 PolarHBondContact O-N 3.26Å; V413-E417 PolarHBondContact O-N 2.92Å
414I87.3Confident84.4Confident52 Ų5292.2 Ų92.227%0.26743%0.432SS..Hα-helixtrans-62.9-44178.8-66.8169.7000110.8V396 I410 L411 N416 E417 L418V396-I414 HydrophobicContact CG2-CD1 4.31Å; V396-I414 HydrophobicContact CG2-CG1 3.98Å; I410-I414 HydrophobicContact CG2-CD1 3.94Å; I410-I414 WeakPolarHBondContact O-CG1 3.46Å; I410-I414 PolarHBondContact O-N 3.19Å; I410-I414 VanDerWaalsContact O-N 3.08Å; L411-I414 PolarHBondContact O-N 3.45Å; I414-N416 PolarHBondContact O-N 3.35Å; I414-E417 PolarHBondContact O-N 3.49Å; I414-L418 WeakPolarHBondContact O-CB 3.21Å; I414-L418 PolarHBondContact O-N 2.92Å
415F89.1Confident84.3Confident125 Ų12589.2 Ų89.255%0.54842%0.421SS..Hα-helixtrans-63.6-40.9177.6-83.6-62.6000111.8L411 E412 V413 L418 V419L411-F415 HydrophobicContact CB-CD2 4.19Å; L411-F415 HydrophobicContact CB-CE2 4.21Å; L411-F415 HydrophobicContact CD2-CE2 4.42Å; L411-F415 WeakPolarHBondContact O-CB 3.37Å; L411-F415 WeakPolarHBondContact O-CD2 3.08Å; L411-F415 PolarHBondContact O-N 3.26Å; E412-F415 PolarHBondContact O-N 2.68Å; V413-F415 PolarHBondContact O-N 3.41Å; F415-L418 PolarHBondContact O-N 3.45Å; F415-V419 WeakPolarHBondContact O-CB 3.43Å; F415-V419 VanDerWaalsContact O-CG2 3.27Å; F415-V419 WeakPolarHBondContact O-CG2 3.1Å; F415-V419 PolarHBondContact O-N 3.29Å
416N88Confident84Confident92 Ų9292.9 Ų92.949%0.49244%0.438SS..Hα-helixtrans-63.5-44.3175.6-77.2-27.6000111.6E412 V413 I414 L418 V419 E420E412-N416 WeakPolarHBondContact O-CB 3.43Å; E412-N416 VanDerWaalsContact O-CG 3.28Å; E412-N416 PolarHBondContact O-N 2.97Å; E412-N416 PolarHBondContact O-ND2 3.32Å; V413-N416 PolarHBondContact O-N 3.26Å; I414-N416 PolarHBondContact O-N 3.35Å; N416-L418 VanDerWaalsContact C-N 3.31Å; N416-L418 PolarHBondContact O-N 3.43Å; N416-V419 PolarHBondContact O-N 2.89Å; N416-E420 WeakPolarHBondContact O-CG 3.38Å; N416-E420 PolarHBondContact O-N 2.9Å
417E86.1Confident83Confident93 Ų9392.5 Ų92.544%0.43545%0.447SS..Hα-helixtrans-61.7-39174.8-75.5-172.4170.400111.8K399 V413 I414 E420 F421K399-E417 IonicContact NZ-OE1 3.97Å; K399-E417 PolarHBondContact NZ-OE1 3.17Å; V413-E417 PolarHBondContact O-N 2.92Å; I414-E417 PolarHBondContact O-N 3.49Å; E417-E420 PolarHBondContact O-N 2.89Å; E417-F421 WeakPolarHBondContact O-CB 3.34Å; E417-F421 PolarHBondContact O-N 3.3Å
418L87.4Confident81.7Confident101 Ų10198.1 Ų98.153%0.52948%0.476SS..Hα-helixtrans-67.2-39.4177.2-160.3155.2000111.9I414 F415 N416 F421 K422I414-L418 WeakPolarHBondContact O-CB 3.21Å; I414-L418 PolarHBondContact O-N 2.92Å; F415-L418 PolarHBondContact O-N 3.45Å; N416-L418 VanDerWaalsContact C-N 3.31Å; N416-L418 PolarHBondContact O-N 3.43Å; L418-F421 PolarHBondContact O-N 3.33Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 PolarHBondContact O-N 2.96Å
419V89.2Confident80.2Confident69 Ų6995 Ų9542%0.41848%0.476SS..Hα-helixtrans-64.6-45.1174.9168.20000111F415 N416 K422 K423F415-V419 WeakPolarHBondContact O-CB 3.43Å; F415-V419 VanDerWaalsContact O-CG2 3.27Å; F415-V419 WeakPolarHBondContact O-CG2 3.1Å; F415-V419 PolarHBondContact O-N 3.29Å; N416-V419 PolarHBondContact O-N 2.89Å; V419-K422 PolarHBondContact O-N 3.42Å; V419-K423 WeakPolarHBondContact O-CG 3.42Å; V419-K423 PolarHBondContact O-N 3.48Å
420E86.2Confident78.6Confident110 Ų110101.4 Ų101.451%0.51450%0.504SS..Hα-helixtrans-63.1-42.4175.8-71.4-57.112800111.6N416 E417 K422 K423 F424N416-E420 WeakPolarHBondContact O-CG 3.38Å; N416-E420 PolarHBondContact O-N 2.9Å; E417-E420 PolarHBondContact O-N 2.89Å; E420-K422 VanDerWaalsContact C-N 3.33Å; E420-K422 PolarHBondContact O-N 3.05Å; E420-K423 PolarHBondContact O-N 3.42Å; E420-K423 IonicContact OE1-NZ 3.51Å; E420-K423 PolarHBondContact OE1-NZ 3.47Å; E420-F424 PolarHBondContact O-N 2.72Å; E420-F424 VanDerWaalsContact O-N 3.16Å
421F83.7Confident76.9Confident141 Ų141105.3 Ų105.362%0.61854%0.536SS*.Hα-helixtrans-59.9-42.7173.7-176.1-101.3000112E417 L418 F424 N425E417-F421 WeakPolarHBondContact O-CB 3.34Å; E417-F421 PolarHBondContact O-N 3.3Å; L418-F421 PolarHBondContact O-N 3.33Å; F421-F424 PolarHBondContact O-N 3.29Å; F421-N425 WeakPolarHBondContact CE1-ND2 3.44Å; F421-N425 WeakPolarHBondContact CZ-ND2 3.27Å; F421-N425 PolarHBondContact O-N 3.26Å
422K83.9Confident74.9Confident145 Ų145105.2 Ų105.263%0.6355%0.552SS**Hα-helixtrans-67.2-39.2178-169.6175.3-178.5177.60112.4L418 V419 E420 F424 N425 Q426L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 PolarHBondContact O-N 2.96Å; V419-K422 PolarHBondContact O-N 3.42Å; E420-K422 VanDerWaalsContact C-N 3.33Å; E420-K422 PolarHBondContact O-N 3.05Å; K422-F424 VanDerWaalsContact C-N 3.26Å; K422-F424 PolarHBondContact O-N 3.16Å; K422-N425 PolarHBondContact O-N 3.04Å; K422-Q426 PolarHBondContact O-N 3.35Å
423K82.8Confident72.6Confident115 Ų115111 Ų11150%0.559%0.587SS.*Hα-helixtrans-58.7-40.1174.5-74.3174.5-174.1168.80111.4V419 E420 N425V419-K423 WeakPolarHBondContact O-CG 3.42Å; V419-K423 PolarHBondContact O-N 3.48Å; E420-K423 PolarHBondContact O-N 3.42Å; E420-K423 IonicContact OE1-NZ 3.51Å; E420-K423 PolarHBondContact OE1-NZ 3.47Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.5Å
424F75.9Confident71.9Confident188 Ų188114.9 Ų114.983%0.82561%0.606SS**Hα-helixtrans-67-31.9180-140.6-87.5000113E420 F421 K422E420-F424 PolarHBondContact O-N 2.72Å; E420-F424 VanDerWaalsContact O-N 3.16Å; F421-F424 PolarHBondContact O-N 3.29Å; K422-F424 VanDerWaalsContact C-N 3.26Å; K422-F424 PolarHBondContact O-N 3.16Å
425N71Confident71.1Confident55 Ų55118.2 Ų118.229%0.29462%0.623SS.*Hα-helixtrans-89.8-1.1-177.2-72.8-26000115.4F421 K422 K423 G427 L428F421-N425 WeakPolarHBondContact CE1-ND2 3.44Å; F421-N425 WeakPolarHBondContact CZ-ND2 3.27Å; F421-N425 PolarHBondContact O-N 3.26Å; K422-N425 PolarHBondContact O-N 3.04Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.5Å; N425-G427 PolarHBondContact O-N 3.4Å; N425-L428 PolarHBondContact O-N 3.45Å
426Q63.2Low70.1Confident127 Ų127117.8 Ų117.859%0.59363%0.628SS**THydrogen-bonded Turntrans-60.7-18.2-179.2-75.8178.62400113.9K422K422-Q426 PolarHBondContact O-N 3.35Å
427G59.7Low69.1Low58 Ų58119.4 Ų119.460%0.59864%0.636SS**THydrogen-bonded Turntrans-84.1-8175.600000115.9N425N425-G427 PolarHBondContact O-N 3.4Å
428L57.7Low68Low123 Ų123121 Ų12164%0.64465%0.648SS**THydrogen-bonded Turntrans-90.9-28-179.1-72.7167.7000112.8N425 E430 A431N425-L428 PolarHBondContact O-N 3.45Å; L428-E430 VanDerWaalsContact C-N 3.3Å; L428-E430 PolarHBondContact O-N 3.31Å; L428-A431 PolarHBondContact O-N 2.94Å
429D57.3Low66.7Low146 Ų146122.3 Ų122.378%0.78166%0.656SS**G310 helixtrans-74.4-22.1178.8-68.3-19.6000112.2A431D429-A431 VanDerWaalsContact C-N 3.28Å; D429-A431 PolarHBondContact O-N 3.42Å
430E52.5Low65.1Low177 Ų177126.1 Ų126.183%0.82767%0.673SS**G310 helixtrans-79.2-7.1174.9-68.3-169.8172.100113.6L428 G432L428-E430 VanDerWaalsContact C-N 3.3Å; L428-E430 PolarHBondContact O-N 3.31Å; E430-G432 VanDerWaalsContact C-N 3.3Å; E430-G432 PolarHBondContact O-N 3.26Å
431A50.6Low63.5Low82 Ų82127.4 Ų127.468%0.67869%0.685SS**G310 helixtrans-92.918.8176.100000113.4L428 D429L428-A431 PolarHBondContact O-N 2.94Å; D429-A431 VanDerWaalsContact C-N 3.28Å; D429-A431 PolarHBondContact O-N 3.42Å
432G47.7Very low61.8Low65 Ų65126.3 Ų126.367%0.6769%0.691SS**  trans-92.78.9-176.300000116.9E430E430-G432 VanDerWaalsContact C-N 3.3Å; E430-G432 PolarHBondContact O-N 3.26Å
433D39.3Very low59.8Low234 Ų234124.5 Ų124.5100%1.25170%0.696SS**  trans-101.20170.8-92.4-11000112.6

Retrieved 433 of 433 residues in 1082.7 ms (Link to these results)

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