A0A087YFV6_POEFO Loading...

Glycosyltransferase 1 domain containing 1

AlphaFold DB , UniProt , Accession A0A087YFV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M91.8Very high94.7Very high33 Ų3322.6 Ų22.616%0.16314%0.137CC..  0151.50-63.7-175.9-72.900110.7L3 H31 S32 E58 A59 V339 H343M1-L3 HydrophobicContact CB-CD1 3.92Å; M1-H31 PolarHBondContact N-ND1 3.44Å; M1-H31 VanDerWaalsContact N-ND1 3.17Å; M1-H31 WeakPolarHBondContact O-CA 3.37Å; M1-H31 WeakPolarHBondContact O-CB 3.41Å; M1-S32 PolarHBondContact O-N 3.48Å; M1-E58 WeakPolarHBondContact CA-OE1 3.28Å; M1-E58 HydrophobicContact CB-CB 4.14Å; M1-E58 HydrophobicContact CG-CB 4.29Å; M1-E58 HydrophobicContact SD-CB 4.46Å; M1-A59 HydrophobicContact SD-CB 4.47Å; M1-V339 HydrophobicContact CE-CG1 3.65Å; M1-V339 WeakPolarHBondContact CE-O 3.44Å; M1-H343 VanDerWaalsContact CE-CE1 3.5Å; M1-H343 WeakPolarHBondContact CE-CE1 3.31Å; M1-H343 WeakPolarHBondContact CG-NE2 3.37Å; M1-H343 PolarHBondContact SD-CD2 2.94Å; M1-H343 PolarHBondContact SD-NE2 3.4Å
2K94.8Very high94Very high30 Ų3028 Ų2813%0.1316%0.157CC..EExtended strand (participates in β ladder)trans-92.5119.6161.8-175.1177.9174.3-172.60110.5S32 E34 P55 F57 E58K2-S32 CarbonylContact C-O 3.55Å; K2-S32 WeakPolarHBondContact CA-O 3.4Å; K2-E34 IonicContact NZ-OE2 3.73Å; K2-P55 HydrophobicContact CD-CG 3.97Å; K2-P55 WeakPolarHBondContact CD-O 3.25Å; K2-P55 PolarHBondContact NZ-O 3.41Å; K2-F57 HydrophobicContact CD-CD1 4.26Å; K2-F57 HydrophobicContact CD-CE1 4.32Å; K2-F57 HydrophobicContact CG-CD1 3.86Å; K2-F57 HydrophobicContact CG-CE1 4.08Å; K2-F57 HydrophobicContact CG-CG 4.49Å; K2-E58 PolarHBondContact N-OE1 3.37Å; K2-E58 PolarHBondContact O-N 2.92Å
3L96Very high93.6Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-110.1139.1-178.6-68.294.8000111.8M1 I26 H31 S32 E34 F57 A59 L61 V339 L342M1-L3 HydrophobicContact CB-CD1 3.92Å; L3-I26 HydrophobicContact CD1-CG2 3.95Å; L3-H31 HydrophobicContact CD1-CB 3.59Å; L3-S32 PolarHBondContact N-O 2.81Å; L3-E34 PolarHBondContact O-N 2.96Å; L3-F57 VanDerWaalsContact C-CD1 3.46Å; L3-A59 WeakPolarHBondContact CA-O 2.89Å; L3-A59 HydrophobicContact CD2-CB 4.2Å; L3-A59 HydrophobicContact CG-CB 4.25Å; L3-L61 HydrophobicContact CD2-CD1 4.22Å; L3-L61 HydrophobicContact CD2-CG 4.32Å; L3-V339 HydrophobicContact CD1-CG1 4.38Å; L3-V339 HydrophobicContact CD2-CG1 3.87Å; L3-V339 HydrophobicContact CD2-CG2 4.24Å; L3-L342 HydrophobicContact CD2-CD1 4.16Å
4L97.4Very high93.2Very high0 Ų027.9 Ų27.90%017%0.169CC..EExtended strand (participates in β ladder)trans-91.2128.1164.4174.763.9000108L6 R36 V47 L50 V51 F57 A59 A60 L61L4-L6 HydrophobicContact CD1-CD2 3.95Å; L4-L6 HydrophobicContact CD2-CD1 4.37Å; L4-L6 HydrophobicContact CD2-CD2 4.1Å; L4-L6 HydrophobicContact CD2-CG 4.18Å; L4-L6 HydrophobicContact CG-CD2 4.02Å; L4-L6 HydrophobicContact CG-CG 4.13Å; L4-R36 HydrophobicContact CD1-CB 4.36Å; L4-R36 HydrophobicContact CD1-CG 3.84Å; L4-V47 HydrophobicContact CD2-CG1 3.54Å; L4-L50 HydrophobicContact CD1-CD2 3.78Å; L4-L50 HydrophobicContact CD2-CD2 4.4Å; L4-V51 HydrophobicContact CD2-CG1 3.78Å; L4-F57 HydrophobicContact CB-CD1 3.6Å; L4-F57 HydrophobicContact CB-CE1 3.71Å; L4-F57 HydrophobicContact CB-CG 4.22Å; L4-F57 HydrophobicContact CB-CZ 4.42Å; L4-F57 HydrophobicContact CD1-CE1 4.29Å; L4-F57 HydrophobicContact CD1-CZ 4.37Å; L4-F57 VanDerWaalsContact N-CD1 3.28Å; L4-A59 PolarHBondContact N-O 2.94Å; L4-A60 HydrophobicContact CB-CB 4.26Å; L4-A60 CarbonylContact O-C 3.59Å; L4-A60 WeakPolarHBondContact O-CA 3.28Å; L4-A60 WeakPolarHBondContact O-CB 3.45Å; L4-L61 PolarHBondContact O-N 3.42Å
5F98.1Very high93.1Very high0 Ų028.5 Ų28.50%017%0.171CC..EExtended strand (participates in β ladder)trans-118.3117.8174.8-166.4-175.6000109.7A19 I22 R23 E34 L35 R36 L61 I63 I82F5-A19 HydrophobicContact CE1-CB 4.45Å; F5-A19 WeakPolarHBondContact CE1-O 3.37Å; F5-I22 HydrophobicContact CE1-CB 3.79Å; F5-I22 HydrophobicContact CE1-CG2 3.59Å; F5-I22 HydrophobicContact CZ-CB 4.07Å; F5-I22 HydrophobicContact CZ-CD1 4.47Å; F5-I22 HydrophobicContact CZ-CG2 3.78Å; F5-R23 HydrophobicContact CD1-CB 4.38Å; F5-E34 PolarHBondContact N-O 3.17Å; F5-L35 HydrophobicContact CB-CD1 3.9Å; F5-L35 HydrophobicContact CD1-CD1 3.8Å; F5-L35 HydrophobicContact CD2-CD1 4.42Å; F5-L35 HydrophobicContact CE1-CD1 4.45Å; F5-L35 HydrophobicContact CG-CD1 3.77Å; F5-L35 WeakPolarHBondContact O-CA 3.36Å; F5-L35 WeakPolarHBondContact O-CD1 2.78Å; F5-R36 PolarHBondContact O-N 2.92Å; F5-L61 WeakPolarHBondContact CA-O 3.13Å; F5-L61 HydrophobicContact CB-CB 4.49Å; F5-L61 HydrophobicContact CD2-CB 3.47Å; F5-L61 VanDerWaalsContact CD2-CB 3.47Å; F5-L61 WeakPolarHBondContact CD2-O 3.46Å; F5-L61 HydrophobicContact CE2-CB 3.77Å; F5-L61 HydrophobicContact CG-CB 4.05Å; F5-I63 HydrophobicContact CE2-CD1 4.26Å; F5-I63 HydrophobicContact CE2-CG1 3.69Å; F5-I63 HydrophobicContact CZ-CD1 3.94Å; F5-I63 HydrophobicContact CZ-CG1 3.84Å; F5-I82 HydrophobicContact CE2-CD1 4.28Å; F5-I82 HydrophobicContact CZ-CD1 4.11Å
6L98.1Very high93.1Very high0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-104.2127.4179.6-61.7-178.1000110.8L4 R36 V38 F41 V47 L61 A62 I63 A68 L71 L72L4-L6 HydrophobicContact CD1-CD2 3.95Å; L4-L6 HydrophobicContact CD2-CD1 4.37Å; L4-L6 HydrophobicContact CD2-CD2 4.1Å; L4-L6 HydrophobicContact CD2-CG 4.18Å; L4-L6 HydrophobicContact CG-CD2 4.02Å; L4-L6 HydrophobicContact CG-CG 4.13Å; L6-R36 HydrophobicContact CD2-CB 4.02Å; L6-V38 HydrophobicContact CB-CG1 4.27Å; L6-F41 HydrophobicContact CD2-CD2 4.24Å; L6-F41 HydrophobicContact CD2-CE2 3.6Å; L6-F41 HydrophobicContact CD2-CZ 4.21Å; L6-V47 HydrophobicContact CD1-CG1 4.33Å; L6-V47 HydrophobicContact CD1-CG2 4.32Å; L6-L61 PolarHBondContact N-O 3.22Å; L6-A62 CarbonylContact O-C 3.53Å; L6-A62 VanDerWaalsContact O-CA 3.26Å; L6-A62 WeakPolarHBondContact O-CA 3.26Å; L6-I63 PolarHBondContact O-N 3.06Å; L6-A68 HydrophobicContact CB-CB 3.93Å; L6-L71 HydrophobicContact CD1-CB 4.1Å; L6-L71 HydrophobicContact CD1-CD1 4.28Å; L6-L72 HydrophobicContact CD1-CD2 3.72Å; L6-L72 HydrophobicContact CD1-CG 4.18Å
7A97.6Very high93.1Very high0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-151.1165.917400000110.7L9 A19 L35 R36 D37 V38 I63A7-L9 HydrophobicContact CB-CD2 3.88Å; A7-L9 HydrophobicContact CB-CG 4.41Å; A7-L9 PolarHBondContact O-N 3.38Å; A7-A19 HydrophobicContact CB-CB 3.91Å; A7-L35 HydrophobicContact CB-CD1 4.41Å; A7-R36 PolarHBondContact N-O 3.32Å; A7-D37 WeakPolarHBondContact O-CA 3.5Å; A7-V38 PolarHBondContact O-N 2.74Å; A7-I63 HydrophobicContact CB-CB 3.95Å; A7-I63 HydrophobicContact CB-CD1 4.06Å; A7-I63 HydrophobicContact CB-CG1 4.07Å
8C94.9Very high93.2Very high19 Ų1930.4 Ų30.413%0.12817%0.173CC..  trans-77.8115165.1-54.60000108.7N15 V38 K67C8-N15 WeakPolarHBondContact O-CB 3.12Å; C8-V38 HydrophobicContact CB-CG2 4.3Å; C8-V38 WeakPolarHBondContact SG-CG2 3.5Å; C8-K67 VanDerWaalsContact SG-CD 3.55Å
9L94.2Very high93.4Very high23 Ų2328.8 Ų28.812%0.1216%0.164CC..  trans-109.527.1-169.6-60177.7000113.3A7 P11 Y16 A19 L35 R36 D37A7-L9 HydrophobicContact CB-CD2 3.88Å; A7-L9 HydrophobicContact CB-CG 4.41Å; A7-L9 PolarHBondContact O-N 3.38Å; L9-P11 WeakPolarHBondContact O-CD 3.45Å; L9-P11 VanDerWaalsContact O-N 3.1Å; L9-Y16 HydrophobicContact CB-CD2 4Å; L9-Y16 HydrophobicContact CD2-CD2 4.09Å; L9-Y16 WeakPolarHBondContact O-CD2 3.27Å; L9-A19 HydrophobicContact CD2-CB 3.8Å; L9-L35 HydrophobicContact CD1-CD1 4.14Å; L9-L35 HydrophobicContact CD1-CD2 4.19Å; L9-L35 HydrophobicContact CD1-CG 3.68Å; L9-L35 HydrophobicContact CD2-CD1 4.07Å; L9-L35 HydrophobicContact CD2-CD2 3.92Å; L9-L35 HydrophobicContact CD2-CG 4.08Å; L9-R36 VanDerWaalsContact CD1-C 3.46Å; L9-D37 WeakPolarHBondContact CA-OD2 3.42Å; L9-D37 HydrophobicContact CB-CB 3.98Å; L9-D37 WeakPolarHBondContact CB-OD2 3.38Å; L9-D37 HydrophobicContact CD1-CB 4.09Å; L9-D37 HydrophobicContact CG-CB 4.19Å; L9-D37 PolarHBondContact N-OD1 2.77Å; L9-D37 PolarHBondContact N-OD2 2.88Å
10S90.6Very high93.5Very high55 Ų5530 Ų3039%0.38517%0.168SC..  trans-50.5121.8169.9-54.60000109.6T13S10-T13 WeakPolarHBondContact O-CB 3.02Å; S10-T13 VanDerWaalsContact O-CG2 3.31Å; S10-T13 WeakPolarHBondContact O-CG2 3.32Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 PolarHBondContact O-OG1 3.27Å
11P88.3Confident93.6Very high89 Ų8930.5 Ų30.558%0.57817%0.167SC*.THydrogen-bonded Turntrans-55.6149.2-173.8-28.835.1000112.8L9 T13L9-P11 WeakPolarHBondContact O-CD 3.45Å; L9-P11 VanDerWaalsContact O-N 3.1Å; P11-T13 PolarHBondContact O-N 3.17Å
12K86.2Confident93.9Very high87 Ų8729 Ų2938%0.37816%0.159SC..THydrogen-bonded Turntrans58.428.6175.8-51.6169.5-172.6162.60114P206 E231 R232K12-P206 WeakPolarHBondContact O-CD 3.23Å; K12-P206 WeakPolarHBondContact O-CG 3.49Å; K12-E231 HydrophobicContact CD-CB 3.84Å; K12-E231 HydrophobicContact CD-CG 4.41Å; K12-E231 WeakPolarHBondContact CD-OE2 3.49Å; K12-E231 IonicContact NZ-OE2 3.97Å; K12-E231 PolarHBondContact NZ-OE2 2.9Å; K12-R232 VanDerWaalsContact CD-O 3.3Å; K12-R232 WeakPolarHBondContact CD-O 3.46Å; K12-R232 WeakPolarHBondContact CE-O 3.33Å
13T89.1Confident94Very high18 Ų1830.4 Ų30.411%0.1116%0.164CC..SBendtrans-105.4156.1171.165.50000110.9S10 P11 N15 Y16 T17 P206 V208S10-T13 WeakPolarHBondContact O-CB 3.02Å; S10-T13 VanDerWaalsContact O-CG2 3.31Å; S10-T13 WeakPolarHBondContact O-CG2 3.32Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 PolarHBondContact O-OG1 3.27Å; P11-T13 PolarHBondContact O-N 3.17Å; T13-N15 PolarHBondContact O-N 2.99Å; T13-Y16 WeakPolarHBondContact O-CB 3.21Å; T13-Y16 PolarHBondContact O-N 2.92Å; T13-Y16 VanDerWaalsContact O-N 3.12Å; T13-Y16 PolarHBondContact OG1-N 3.28Å; T13-T17 PolarHBondContact O-N 3.41Å; T13-T17 VanDerWaalsContact O-N 3.13Å; T13-P206 HydrophobicContact CG2-CG 3.77Å; T13-V208 HydrophobicContact CG2-CG2 4.41Å
14G87.9Confident94.1Very high36 Ų3633.4 Ų33.437%0.37119%0.185SC..Hα-helixtrans-60-26.6174.600000113.9T17 T18G14-T17 WeakPolarHBondContact CA-OG1 3.23Å; G14-T17 PolarHBondContact O-OG1 3.47Å; G14-T17 VanDerWaalsContact O-OG1 3.1Å; G14-T18 VanDerWaalsContact O-CB 3.27Å; G14-T18 WeakPolarHBondContact O-CB 3.5Å; G14-T18 PolarHBondContact O-N 3.01Å; G14-T18 PolarHBondContact O-OG1 3.2Å
15N91.4Very high94Very high38 Ų3833.8 Ų33.820%0.20319%0.187CC..Hα-helixtrans-68.3-46174.3-77.17.7000111.3C8 T13 T18 A19 H64C8-N15 WeakPolarHBondContact O-CB 3.12Å; T13-N15 PolarHBondContact O-N 2.99Å; N15-T18 PolarHBondContact O-N 3.14Å; N15-A19 WeakPolarHBondContact O-CB 3.27Å; N15-A19 PolarHBondContact O-N 3.37Å; N15-H64 PolarHBondContact ND2-NE2 3.42Å
16Y93.3Very high93.9Very high87 Ų8733.9 Ų33.934%0.34119%0.187SC..Hα-helixtrans-59.3-49.2177.1-179.2-90.3000111.2L9 T13 T18 A19 E20L9-Y16 HydrophobicContact CB-CD2 4Å; L9-Y16 HydrophobicContact CD2-CD2 4.09Å; L9-Y16 WeakPolarHBondContact O-CD2 3.27Å; T13-Y16 WeakPolarHBondContact O-CB 3.21Å; T13-Y16 PolarHBondContact O-N 2.92Å; T13-Y16 VanDerWaalsContact O-N 3.12Å; T13-Y16 PolarHBondContact OG1-N 3.28Å; Y16-T18 VanDerWaalsContact C-N 3.32Å; Y16-T18 PolarHBondContact O-N 3.34Å; Y16-A19 PolarHBondContact O-N 3.45Å; Y16-E20 HydrophobicContact CD1-CG 4.33Å; Y16-E20 HydrophobicContact CE1-CG 3.84Å; Y16-E20 HydrophobicContact CE2-CG 4.35Å; Y16-E20 PolarHBondContact O-N 3.25Å
17T92.8Very high93.9Very high29 Ų2937.4 Ų37.418%0.17820%0.204CC..Hα-helixtrans-64.2-37.2-179.958.70000112.4T13 G14 R21T13-T17 PolarHBondContact O-N 3.41Å; T13-T17 VanDerWaalsContact O-N 3.13Å; G14-T17 WeakPolarHBondContact CA-OG1 3.23Å; G14-T17 PolarHBondContact O-OG1 3.47Å; G14-T17 VanDerWaalsContact O-OG1 3.1Å; T17-R21 WeakPolarHBondContact O-CB 3.43Å; T17-R21 PolarHBondContact O-N 3.01Å; T17-R21 VanDerWaalsContact O-N 3.12Å
18T94.8Very high93.8Very high4 Ų440.7 Ų40.73%0.02523%0.227CC..Hα-helixtrans-67-44.9175-60.90000111.9G14 N15 Y16 R21 I22 I63 F114 Q138G14-T18 VanDerWaalsContact O-CB 3.27Å; G14-T18 WeakPolarHBondContact O-CB 3.5Å; G14-T18 PolarHBondContact O-N 3.01Å; G14-T18 PolarHBondContact O-OG1 3.2Å; N15-T18 PolarHBondContact O-N 3.14Å; Y16-T18 VanDerWaalsContact C-N 3.32Å; Y16-T18 PolarHBondContact O-N 3.34Å; T18-R21 PolarHBondContact O-N 3.49Å; T18-I22 HydrophobicContact CG2-CD1 3.74Å; T18-I22 HydrophobicContact CG2-CG1 4.48Å; T18-I22 VanDerWaalsContact O-CG1 3.32Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 3Å; T18-I63 HydrophobicContact CG2-CD1 4.12Å; T18-F114 HydrophobicContact CG2-CZ 4.36Å; T18-Q138 PolarHBondContact OG1-OE1 3.45Å; T18-Q138 VanDerWaalsContact OG1-OE1 3.1Å
19A96.9Very high93.7Very high0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-63-46.3179.700000111.9F5 A7 L9 N15 Y16 R21 I22 R23 L35 I63F5-A19 HydrophobicContact CE1-CB 4.45Å; F5-A19 WeakPolarHBondContact CE1-O 3.37Å; A7-A19 HydrophobicContact CB-CB 3.91Å; L9-A19 HydrophobicContact CD2-CB 3.8Å; N15-A19 WeakPolarHBondContact O-CB 3.27Å; N15-A19 PolarHBondContact O-N 3.37Å; Y16-A19 PolarHBondContact O-N 3.45Å; A19-R21 PolarHBondContact O-N 3.24Å; A19-I22 PolarHBondContact O-N 2.72Å; A19-R23 VanDerWaalsContact O-CB 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.26Å; A19-R23 PolarHBondContact O-N 3.29Å; A19-L35 HydrophobicContact CB-CD1 3.99Å; A19-L35 HydrophobicContact CB-CD2 3.98Å; A19-I63 HydrophobicContact CB-CD1 3.82Å
20E96.3Very high93.7Very high52 Ų5244.1 Ų44.124%0.24327%0.266CS..Hα-helixtrans-61.3-42.3176.5-79.1-62.3147.800112.3Y16 R23 S24 L35Y16-E20 HydrophobicContact CD1-CG 4.33Å; Y16-E20 HydrophobicContact CE1-CG 3.84Å; Y16-E20 HydrophobicContact CE2-CG 4.35Å; Y16-E20 PolarHBondContact O-N 3.25Å; E20-R23 WeakPolarHBondContact O-CB 3.47Å; E20-R23 PolarHBondContact O-N 3.42Å; E20-R23 IonicContact OE1-NE 3.87Å; E20-R23 IonicContact OE2-CZ 3.98Å; E20-R23 VanDerWaalsContact OE2-CZ 3.29Å; E20-R23 IonicContact OE2-NE 3.72Å; E20-R23 PolarHBondContact OE2-NE 2.93Å; E20-R23 IonicContact OE2-NH2 3.62Å; E20-R23 PolarHBondContact OE2-NH2 3.29Å; E20-S24 PolarHBondContact O-N 3.33Å; E20-L35 HydrophobicContact CG-CD2 4.38Å; E20-L35 VanDerWaalsContact OE1-CD2 3.3Å; E20-L35 WeakPolarHBondContact OE1-CD2 3.47Å
21R96Very high93.9Very high41 Ų4142.6 Ų42.616%0.15525%0.253CS..Hα-helixtrans-64.3-45.5178.4-172.317365.2-111.6-4.7111.7T17 T18 A19 S24 H25 G139 E331T17-R21 WeakPolarHBondContact O-CB 3.43Å; T17-R21 PolarHBondContact O-N 3.01Å; T17-R21 VanDerWaalsContact O-N 3.12Å; T18-R21 PolarHBondContact O-N 3.49Å; A19-R21 PolarHBondContact O-N 3.24Å; R21-S24 WeakPolarHBondContact O-CB 3.37Å; R21-S24 PolarHBondContact O-N 3.3Å; R21-H25 PolarHBondContact O-CD2 3.32Å; R21-H25 PolarHBondContact O-N 3.38Å; R21-G139 PolarHBondContact NE-O 3Å; R21-G139 VanDerWaalsContact NE-O 3.11Å; R21-G139 PolarHBondContact NH1-O 2.9Å; R21-G139 VanDerWaalsContact NH1-O 3.16Å; R21-G139 PolarHBondContact NH2-O 2.95Å; R21-E331 VanDerWaalsContact CD-OE2 3.28Å; R21-E331 WeakPolarHBondContact CD-OE2 3.25Å; R21-E331 IonicContact CZ-OE1 2.79Å; R21-E331 IonicContact CZ-OE2 3.29Å; R21-E331 IonicContact NE-OE1 3.86Å; R21-E331 PolarHBondContact NE-OE1 3.15Å; R21-E331 IonicContact NE-OE2 2.93Å; R21-E331 PolarHBondContact NE-OE2 3.31Å; R21-E331 IonicContact NH2-OE1 3.62Å; R21-E331 PolarHBondContact NH2-OE1 3.46Å; R21-E331 IonicContact NH2-OE2 2.77Å
22I97.2Very high94.3Very high0 Ų041.7 Ų41.70%025%0.249CC..Hα-helixtrans-65.9-40177-66.4171.3000111F5 T18 A19 S24 H25 I26 I82 Y335F5-I22 HydrophobicContact CE1-CB 3.79Å; F5-I22 HydrophobicContact CE1-CG2 3.59Å; F5-I22 HydrophobicContact CZ-CB 4.07Å; F5-I22 HydrophobicContact CZ-CD1 4.47Å; F5-I22 HydrophobicContact CZ-CG2 3.78Å; T18-I22 HydrophobicContact CG2-CD1 3.74Å; T18-I22 HydrophobicContact CG2-CG1 4.48Å; T18-I22 VanDerWaalsContact O-CG1 3.32Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 3Å; A19-I22 PolarHBondContact O-N 2.72Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.32Å; I22-H25 WeakPolarHBondContact O-CB 3.4Å; I22-H25 PolarHBondContact O-N 3.03Å; I22-H25 VanDerWaalsContact O-N 3.15Å; I22-I26 HydrophobicContact CG2-CD1 3.84Å; I22-I26 HydrophobicContact CG2-CG1 4.47Å; I22-I26 WeakPolarHBondContact O-CD1 3.37Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.34Å; I22-I26 PolarHBondContact O-N 2.9Å; I22-I82 HydrophobicContact CD1-CD1 3.63Å; I22-Y335 HydrophobicContact CD1-CD2 4.41Å; I22-Y335 HydrophobicContact CD1-CE1 4.05Å; I22-Y335 HydrophobicContact CD1-CE2 3.68Å; I22-Y335 VanDerWaalsContact CD1-CZ 3.46Å; I22-Y335 WeakPolarHBondContact CD1-OH 3.46Å; I22-Y335 HydrophobicContact CG1-CD2 4.01Å; I22-Y335 HydrophobicContact CG1-CE2 3.68Å; I22-Y335 HydrophobicContact CG2-CD1 4.14Å; I22-Y335 HydrophobicContact CG2-CD2 4.45Å; I22-Y335 HydrophobicContact CG2-CE1 4.36Å; I22-Y335 HydrophobicContact CG2-CG 4.19Å
23R97.5Very high94.7Very high61 Ų6137.9 Ų37.923%0.2323%0.233CC..Hα-helixtrans-55.5-47.1172.8-176-173.170.175.66.4110.9F5 A19 E20 H25 I26 E27 C33F5-R23 HydrophobicContact CD1-CB 4.38Å; A19-R23 VanDerWaalsContact O-CB 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.26Å; A19-R23 PolarHBondContact O-N 3.29Å; E20-R23 WeakPolarHBondContact O-CB 3.47Å; E20-R23 PolarHBondContact O-N 3.42Å; E20-R23 IonicContact OE1-NE 3.87Å; E20-R23 IonicContact OE2-CZ 3.98Å; E20-R23 VanDerWaalsContact OE2-CZ 3.29Å; E20-R23 IonicContact OE2-NE 3.72Å; E20-R23 PolarHBondContact OE2-NE 2.93Å; E20-R23 IonicContact OE2-NH2 3.62Å; E20-R23 PolarHBondContact OE2-NH2 3.29Å; R23-H25 VanDerWaalsContact C-N 3.34Å; R23-H25 PolarHBondContact O-N 3.35Å; R23-I26 WeakPolarHBondContact O-CB 3.19Å; R23-I26 PolarHBondContact O-N 3.28Å; R23-E27 IonicContact CZ-OE1 2.62Å; R23-E27 IonicContact CZ-OE2 3.73Å; R23-E27 IonicContact NH1-OE1 3.84Å; R23-E27 PolarHBondContact NH1-OE1 3.11Å; R23-E27 IonicContact NH1-OE2 3.71Å; R23-E27 PolarHBondContact NH1-OE2 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 2.91Å; R23-C33 HydrophobicContact CG-CB 3.88Å
24S97.1Very high95.1Very high63 Ų6339.6 Ų39.644%0.44124%0.24SC..Hα-helixtrans-60.3-40.8176.7-175.20000112.6E20 R21 I22 I26 E27 S28E20-S24 PolarHBondContact O-N 3.33Å; R21-S24 WeakPolarHBondContact O-CB 3.37Å; R21-S24 PolarHBondContact O-N 3.3Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.32Å; S24-I26 VanDerWaalsContact C-N 3.32Å; S24-I26 PolarHBondContact O-N 3.16Å; S24-E27 PolarHBondContact O-N 2.93Å; S24-S28 WeakPolarHBondContact O-CB 2.97Å; S24-S28 PolarHBondContact O-N 2.87Å; S24-S28 PolarHBondContact O-OG 3.41Å
25H96.7Very high95.6Very high8 Ų839.2 Ų39.24%0.03723%0.229CC..Hα-helixtrans-60.3-42.9175.8-64.2-22.6000112.3R21 I22 R23 S28 A29 V328 E331 R332 Q336R21-H25 PolarHBondContact O-CD2 3.32Å; R21-H25 PolarHBondContact O-N 3.38Å; I22-H25 WeakPolarHBondContact O-CB 3.4Å; I22-H25 PolarHBondContact O-N 3.03Å; I22-H25 VanDerWaalsContact O-N 3.15Å; R23-H25 VanDerWaalsContact C-N 3.34Å; R23-H25 PolarHBondContact O-N 3.35Å; H25-S28 PolarHBondContact O-OG 3.18Å; H25-A29 PolarHBondContact O-N 3.17Å; H25-V328 WeakPolarHBondContact CE1-CG1 3.4Å; H25-E331 IonicContact CD2-OE2 2.62Å; H25-E331 IonicContact CE1-OE2 3.26Å; H25-E331 IonicContact NE2-OE2 2.89Å; H25-E331 PolarHBondContact NE2-OE2 3.28Å; H25-R332 HydrophobicContact CB-CB 4.23Å; H25-R332 HydrophobicContact CB-CG 3.91Å; H25-Q336 PolarHBondContact O-NE2 3.12Å; H25-Q336 VanDerWaalsContact O-NE2 3.15Å
26I95.8Very high95.9Very high1 Ų141 Ų411%0.00523%0.233CC..Hα-helixtrans-66.5-45.8179.2-65164.5000110.6L3 I22 R23 S24 S28 A29 H31 C33 L61 V339L3-I26 HydrophobicContact CD1-CG2 3.95Å; I22-I26 HydrophobicContact CG2-CD1 3.84Å; I22-I26 HydrophobicContact CG2-CG1 4.47Å; I22-I26 WeakPolarHBondContact O-CD1 3.37Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.34Å; I22-I26 PolarHBondContact O-N 2.9Å; R23-I26 WeakPolarHBondContact O-CB 3.19Å; R23-I26 PolarHBondContact O-N 3.28Å; S24-I26 VanDerWaalsContact C-N 3.32Å; S24-I26 PolarHBondContact O-N 3.16Å; I26-S28 VanDerWaalsContact C-N 3.34Å; I26-S28 PolarHBondContact O-N 2.98Å; I26-A29 PolarHBondContact O-N 2.76Å; I26-A29 VanDerWaalsContact O-N 3.17Å; I26-H31 HydrophobicContact CG2-CB 3.67Å; I26-H31 PolarHBondContact O-N 3.36Å; I26-C33 HydrophobicContact CB-CB 4.34Å; I26-C33 HydrophobicContact CG2-CB 3.88Å; I26-L61 HydrophobicContact CD1-CD1 3.23Å; I26-L61 HydrophobicContact CG1-CD1 4.38Å; I26-V339 HydrophobicContact CD1-CG2 4.36Å; I26-V339 HydrophobicContact CG1-CG2 4.11Å
27E96.6Very high96.1Very high75 Ų7538.3 Ų38.335%0.3522%0.224SC..Hα-helixtrans-65.5-37.4178.3-72.3178.2171.700112.4R23 S24 A29 G30 H31 C33R23-E27 IonicContact CZ-OE1 2.62Å; R23-E27 IonicContact CZ-OE2 3.73Å; R23-E27 IonicContact NH1-OE1 3.84Å; R23-E27 PolarHBondContact NH1-OE1 3.11Å; R23-E27 IonicContact NH1-OE2 3.71Å; R23-E27 PolarHBondContact NH1-OE2 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 2.91Å; S24-E27 PolarHBondContact O-N 2.93Å; E27-A29 PolarHBondContact O-N 3.39Å; E27-G30 PolarHBondContact O-N 3.1Å; E27-H31 WeakPolarHBondContact CA-O 3.42Å; E27-C33 HydrophobicContact CG-CB 4.1Å
28S95.7Very high96.2Very high69 Ų6938 Ų3848%0.48322%0.222SC..Hα-helixtrans-65.3-17.5175.974.60000113.8S24 H25 I26 G30 Q336S24-S28 WeakPolarHBondContact O-CB 2.97Å; S24-S28 PolarHBondContact O-N 2.87Å; S24-S28 PolarHBondContact O-OG 3.41Å; H25-S28 PolarHBondContact O-OG 3.18Å; I26-S28 VanDerWaalsContact C-N 3.34Å; I26-S28 PolarHBondContact O-N 2.98Å; S28-G30 VanDerWaalsContact C-N 3.33Å; S28-Q336 PolarHBondContact OG-NE2 2.94Å; S28-Q336 VanDerWaalsContact OG-NE2 3.11Å
29A93.3Very high96.2Very high44 Ų4441.1 Ų41.136%0.36425%0.248SC..THydrogen-bonded Turntrans-88.14.3170.800000113.7H25 I26 E27 Q336H25-A29 PolarHBondContact O-N 3.17Å; I26-A29 PolarHBondContact O-N 2.76Å; I26-A29 VanDerWaalsContact O-N 3.17Å; E27-A29 PolarHBondContact O-N 3.39Å; A29-Q336 HydrophobicContact CB-CB 4.42Å; A29-Q336 HydrophobicContact CB-CG 3.72Å
30G94.4Very high96Very high69 Ų6945.7 Ų45.771%0.71127%0.273SS*.THydrogen-bonded Turntrans86.813.7177.900000114.6E27 S28E27-G30 PolarHBondContact O-N 3.1Å; S28-G30 VanDerWaalsContact C-N 3.33Å
31H94.9Very high95.9Very high23 Ų2343.9 Ų43.911%0.10626%0.264CS..  trans-89.9154.2171.1-57-88000111M1 L3 I26 E27M1-H31 PolarHBondContact N-ND1 3.44Å; M1-H31 VanDerWaalsContact N-ND1 3.17Å; M1-H31 WeakPolarHBondContact O-CA 3.37Å; M1-H31 WeakPolarHBondContact O-CB 3.41Å; L3-H31 HydrophobicContact CD1-CB 3.59Å; I26-H31 HydrophobicContact CG2-CB 3.67Å; I26-H31 PolarHBondContact O-N 3.36Å; E27-H31 WeakPolarHBondContact CA-O 3.42Å
32S95.5Very high95.5Very high70 Ų7049.8 Ų49.849%0.4929%0.293SS..EExtended strand (participates in β ladder)trans-92.9130.2166.1175.90000108.1M1 K2 L3M1-S32 PolarHBondContact O-N 3.48Å; K2-S32 CarbonylContact C-O 3.55Å; K2-S32 WeakPolarHBondContact CA-O 3.4Å; L3-S32 PolarHBondContact N-O 2.81Å
33C96.5Very high95Very high7 Ų751.6 Ų51.65%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-127107.7-177.2-171.40000110.6R23 I26 E27 L35R23-C33 HydrophobicContact CG-CB 3.88Å; I26-C33 HydrophobicContact CB-CB 4.34Å; I26-C33 HydrophobicContact CG2-CB 3.88Å; E27-C33 HydrophobicContact CG-CB 4.1Å; C33-L35 PolarHBondContact O-N 2.9Å
34E97Very high94.6Very high55 Ų5550.3 Ų50.326%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-90.7106177.5-159.9179.9126.600109.8K2 L3 F5 R36 F57K2-E34 IonicContact NZ-OE2 3.73Å; L3-E34 PolarHBondContact O-N 2.96Å; F5-E34 PolarHBondContact N-O 3.17Å; E34-R36 HydrophobicContact CG-CG 4.43Å; E34-R36 IonicContact OE1-CZ 2.68Å; E34-R36 IonicContact OE1-NH1 2.72Å; E34-R36 PolarHBondContact OE1-NH1 2.87Å; E34-F57 HydrophobicContact CB-CE1 3.81Å; E34-F57 HydrophobicContact CB-CZ 4.11Å; E34-F57 WeakPolarHBondContact OE2-CZ 3.33Å
35L97.7Very high94.3Very high27 Ų2751.4 Ų51.414%0.14131%0.313CS..EExtended strand (participates in β ladder)trans-87.1126179-179.162.3000110.4F5 A7 L9 A19 E20 C33F5-L35 HydrophobicContact CB-CD1 3.9Å; F5-L35 HydrophobicContact CD1-CD1 3.8Å; F5-L35 HydrophobicContact CD2-CD1 4.42Å; F5-L35 HydrophobicContact CE1-CD1 4.45Å; F5-L35 HydrophobicContact CG-CD1 3.77Å; F5-L35 WeakPolarHBondContact O-CA 3.36Å; F5-L35 WeakPolarHBondContact O-CD1 2.78Å; A7-L35 HydrophobicContact CB-CD1 4.41Å; L9-L35 HydrophobicContact CD1-CD1 4.14Å; L9-L35 HydrophobicContact CD1-CD2 4.19Å; L9-L35 HydrophobicContact CD1-CG 3.68Å; L9-L35 HydrophobicContact CD2-CD1 4.07Å; L9-L35 HydrophobicContact CD2-CD2 3.92Å; L9-L35 HydrophobicContact CD2-CG 4.08Å; A19-L35 HydrophobicContact CB-CD1 3.99Å; A19-L35 HydrophobicContact CB-CD2 3.98Å; E20-L35 HydrophobicContact CG-CD2 4.38Å; E20-L35 VanDerWaalsContact OE1-CD2 3.3Å; E20-L35 WeakPolarHBondContact OE1-CD2 3.47Å; C33-L35 PolarHBondContact O-N 2.9Å
36R97.4Very high94Very high77 Ų7753.8 Ų53.829%0.29133%0.326SS..EExtended strand (participates in β ladder)trans-131.6144.4-176.7-57.8-70.8-78.2-100.6-2.1110.9L4 F5 L6 A7 L9 E34 F41 L50L4-R36 HydrophobicContact CD1-CB 4.36Å; L4-R36 HydrophobicContact CD1-CG 3.84Å; F5-R36 PolarHBondContact O-N 2.92Å; L6-R36 HydrophobicContact CD2-CB 4.02Å; A7-R36 PolarHBondContact N-O 3.32Å; L9-R36 VanDerWaalsContact CD1-C 3.46Å; E34-R36 HydrophobicContact CG-CG 4.43Å; E34-R36 IonicContact OE1-CZ 2.68Å; E34-R36 IonicContact OE1-NH1 2.72Å; E34-R36 PolarHBondContact OE1-NH1 2.87Å; R36-F41 HydrophobicContact CB-CE2 3.78Å; R36-F41 HydrophobicContact CB-CZ 3.95Å; R36-F41 HydrophobicContact CG-CZ 4.36Å; R36-L50 HydrophobicContact CG-CD2 4.26Å
37D97.3Very high93.9Very high30 Ų3053.8 Ų53.816%0.1633%0.326CS..EExtended strand (participates in β ladder)trans-76.9136.2177-160.4-34.9000109.3A7 L9 A39 D40 F41A7-D37 WeakPolarHBondContact O-CA 3.5Å; L9-D37 WeakPolarHBondContact CA-OD2 3.42Å; L9-D37 HydrophobicContact CB-CB 3.98Å; L9-D37 WeakPolarHBondContact CB-OD2 3.38Å; L9-D37 HydrophobicContact CD1-CB 4.09Å; L9-D37 HydrophobicContact CG-CB 4.19Å; L9-D37 PolarHBondContact N-OD1 2.77Å; L9-D37 PolarHBondContact N-OD2 2.88Å; D37-A39 PolarHBondContact O-N 2.9Å; D37-A39 PolarHBondContact OD1-N 3.37Å; D37-D40 WeakPolarHBondContact O-CB 3.39Å; D37-D40 PolarHBondContact O-N 3.11Å; D37-D40 VanDerWaalsContact O-N 3.09Å; D37-F41 VanDerWaalsContact O-CD2 3.27Å; D37-F41 WeakPolarHBondContact O-CD2 3.36Å; D37-F41 VanDerWaalsContact O-CE2 3.29Å; D37-F41 WeakPolarHBondContact O-CE2 3.34Å
38V96.3Very high93.7Very high21 Ų2152.1 Ų52.113%0.12733%0.325CS..G310 helixtrans-59.4-24.8170.9-62.70000112.6L6 A7 C8 D40 F41 A68 L71L6-V38 HydrophobicContact CB-CG1 4.27Å; A7-V38 PolarHBondContact O-N 2.74Å; C8-V38 HydrophobicContact CB-CG2 4.3Å; C8-V38 WeakPolarHBondContact SG-CG2 3.5Å; V38-D40 PolarHBondContact O-N 3.4Å; V38-F41 PolarHBondContact O-N 2.84Å; V38-A68 HydrophobicContact CG1-CB 3.58Å; V38-L71 HydrophobicContact CB-CD1 4.31Å; V38-L71 HydrophobicContact CG1-CD1 4.29Å
39A94Very high93.5Very high70 Ų7054.7 Ų54.758%0.57933%0.329SS*.G310 helixtrans-65.4-20.3176.500000113.2D37 F41D37-A39 PolarHBondContact O-N 2.9Å; D37-A39 PolarHBondContact OD1-N 3.37Å; A39-F41 PolarHBondContact O-N 3.44Å
40D93.9Very high93.4Very high97 Ų9752.8 Ų52.852%0.51931%0.313SS..G310 helixtrans-76.3-8.2177.6-60.5-26.1000112.8D37 V38D37-D40 WeakPolarHBondContact O-CB 3.39Å; D37-D40 PolarHBondContact O-N 3.11Å; D37-D40 VanDerWaalsContact O-N 3.09Å; V38-D40 PolarHBondContact O-N 3.4Å
41F93.6Very high93.3Very high14 Ų1450.8 Ų50.86%0.06129%0.287CS..  trans-123.7124.4-174.1-51.6-79.3000111.1L6 R36 D37 V38 A39 D46 V47 L50 L71L6-F41 HydrophobicContact CD2-CD2 4.24Å; L6-F41 HydrophobicContact CD2-CE2 3.6Å; L6-F41 HydrophobicContact CD2-CZ 4.21Å; R36-F41 HydrophobicContact CB-CE2 3.78Å; R36-F41 HydrophobicContact CB-CZ 3.95Å; R36-F41 HydrophobicContact CG-CZ 4.36Å; D37-F41 VanDerWaalsContact O-CD2 3.27Å; D37-F41 WeakPolarHBondContact O-CD2 3.36Å; D37-F41 VanDerWaalsContact O-CE2 3.29Å; D37-F41 WeakPolarHBondContact O-CE2 3.34Å; V38-F41 PolarHBondContact O-N 2.84Å; A39-F41 PolarHBondContact O-N 3.44Å; F41-D46 HydrophobicContact CB-CB 4.29Å; F41-D46 HydrophobicContact CD1-CB 3.78Å; F41-V47 HydrophobicContact CB-CG2 4.09Å; F41-V47 HydrophobicContact CD1-CG2 3.63Å; F41-V47 HydrophobicContact CD2-CG2 4.23Å; F41-V47 HydrophobicContact CE1-CG2 4.07Å; F41-V47 HydrophobicContact CG-CG2 3.71Å; F41-L50 HydrophobicContact CE1-CD2 3.88Å; F41-L50 HydrophobicContact CZ-CD2 3.67Å; F41-L71 HydrophobicContact CB-CD1 4.09Å; F41-L71 HydrophobicContact CD2-CD1 4.45Å
42H87.1Confident92.9Very high164 Ų16453.7 Ų53.776%0.75931%0.31SS*.SBendtrans-89.8-25.9177.1-60.6-55.3000111.6D46H42-D46 WeakPolarHBondContact CA-OD2 3.36Å; H42-D46 PolarHBondContact N-OD2 2.94Å
43S87.4Confident92.4Very high38 Ų3854.5 Ų54.527%0.26631%0.306SS..SBendtrans-146.6161-176.871.60000113.2S45 D46S43-S45 PolarHBondContact O-N 3.29Å; S43-S45 PolarHBondContact OG-N 3.01Å; S43-D46 PolarHBondContact N-OD2 3.31Å; S43-D46 WeakPolarHBondContact O-CB 3.47Å; S43-D46 PolarHBondContact O-N 2.92Å; S43-D46 VanDerWaalsContact O-N 3.13Å; S43-D46 PolarHBondContact OG-OD2 3.4Å
44P88.4Confident91.6Very high35 Ų3561.2 Ų61.223%0.22734%0.342CS..Hα-helixtrans-55.8-27.6169.7-25.434.8000113.8D46 V47 A48P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.42Å; P44-V47 PolarHBondContact O-N 2.96Å; P44-A48 PolarHBondContact O-N 3.29Å
45S90Very high91.1Very high85 Ų8562.8 Ų62.859%0.59436%0.356SS*.Hα-helixtrans-64.9-33177.3-58.30000112.9S43 V47 A48 H49S43-S45 PolarHBondContact O-N 3.29Å; S43-S45 PolarHBondContact OG-N 3.01Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-A48 WeakPolarHBondContact O-CB 3.15Å; S45-A48 PolarHBondContact O-N 3.11Å; S45-H49 PolarHBondContact O-N 2.98Å
46D92.3Very high90.7Very high59 Ų5965 Ų6532%0.31637%0.372SS..Hα-helixtrans-65.9-40.2177.1-55.9-36.2000110.3F41 H42 S43 P44 H49 L50F41-D46 HydrophobicContact CB-CB 4.29Å; F41-D46 HydrophobicContact CD1-CB 3.78Å; H42-D46 WeakPolarHBondContact CA-OD2 3.36Å; H42-D46 PolarHBondContact N-OD2 2.94Å; S43-D46 PolarHBondContact N-OD2 3.31Å; S43-D46 WeakPolarHBondContact O-CB 3.47Å; S43-D46 PolarHBondContact O-N 2.92Å; S43-D46 VanDerWaalsContact O-N 3.13Å; S43-D46 PolarHBondContact OG-OD2 3.4Å; P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.42Å; D46-H49 PolarHBondContact O-N 3.3Å; D46-L50 PolarHBondContact O-N 3.47Å; D46-L50 VanDerWaalsContact O-N 3.1Å
47V93Very high90.6Very high0 Ų062 Ų620%036%0.361CS..Hα-helixtrans-68.4-40.5173.7-172.20000110.6L4 L6 F41 P44 S45 H49 L50 V51 L71 L72 L75L4-V47 HydrophobicContact CD2-CG1 3.54Å; L6-V47 HydrophobicContact CD1-CG1 4.33Å; L6-V47 HydrophobicContact CD1-CG2 4.32Å; F41-V47 HydrophobicContact CB-CG2 4.09Å; F41-V47 HydrophobicContact CD1-CG2 3.63Å; F41-V47 HydrophobicContact CD2-CG2 4.23Å; F41-V47 HydrophobicContact CE1-CG2 4.07Å; F41-V47 HydrophobicContact CG-CG2 3.71Å; P44-V47 PolarHBondContact O-N 2.96Å; S45-V47 VanDerWaalsContact C-N 3.31Å; V47-H49 VanDerWaalsContact C-N 3.28Å; V47-H49 PolarHBondContact O-N 2.93Å; V47-L50 WeakPolarHBondContact O-CB 3.3Å; V47-L50 PolarHBondContact O-N 2.89Å; V47-L50 VanDerWaalsContact O-N 3.13Å; V47-V51 HydrophobicContact CG1-CG1 4.19Å; V47-V51 WeakPolarHBondContact O-CG1 3.35Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 3.3Å; V47-L71 HydrophobicContact CG2-CB 3.95Å; V47-L71 HydrophobicContact CG2-CD1 4.34Å; V47-L72 HydrophobicContact CG1-CD2 4.37Å; V47-L75 HydrophobicContact CB-CD1 4.36Å; V47-L75 HydrophobicContact CG1-CD1 3.64Å
48A91.9Very high90.4Very high40 Ų4064.9 Ų64.933%0.33137%0.374SS..Hα-helixtrans-57.2-42.2175.400000112.1P44 S45 V51 S52 L75P44-A48 PolarHBondContact O-N 3.29Å; S45-A48 WeakPolarHBondContact O-CB 3.15Å; S45-A48 PolarHBondContact O-N 3.11Å; A48-V51 VanDerWaalsContact O-CG2 3.29Å; A48-V51 WeakPolarHBondContact O-CG2 3.43Å; A48-V51 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-N 2.82Å; A48-L75 HydrophobicContact CB-CD2 3.69Å
49H91.2Very high90.4Very high123 Ų12363.9 Ų63.957%0.56937%0.368SS*.Hα-helixtrans-63.1-47.4174.5178.5-94.4000111.2S45 D46 V47 V51 S52S45-H49 PolarHBondContact O-N 2.98Å; D46-H49 PolarHBondContact O-N 3.3Å; V47-H49 VanDerWaalsContact C-N 3.28Å; V47-H49 PolarHBondContact O-N 2.93Å; H49-V51 PolarHBondContact O-N 3.43Å; H49-S52 PolarHBondContact O-N 3.06Å; H49-S52 PolarHBondContact O-OG 2.86Å
50L92.1Very high90.6Very high5 Ų560.5 Ų60.53%0.02634%0.34CS..Hα-helixtrans-58.1-46.9176.9176.461.5000112.2L4 R36 F41 D46 V47 S52 Q53 F57L4-L50 HydrophobicContact CD1-CD2 3.78Å; L4-L50 HydrophobicContact CD2-CD2 4.4Å; R36-L50 HydrophobicContact CG-CD2 4.26Å; F41-L50 HydrophobicContact CE1-CD2 3.88Å; F41-L50 HydrophobicContact CZ-CD2 3.67Å; D46-L50 PolarHBondContact O-N 3.47Å; D46-L50 VanDerWaalsContact O-N 3.1Å; V47-L50 WeakPolarHBondContact O-CB 3.3Å; V47-L50 PolarHBondContact O-N 2.89Å; V47-L50 VanDerWaalsContact O-N 3.13Å; L50-S52 PolarHBondContact O-N 3.41Å; L50-Q53 WeakPolarHBondContact O-CB 3.41Å; L50-Q53 WeakPolarHBondContact O-CG 3.41Å; L50-Q53 PolarHBondContact O-N 2.72Å; L50-Q53 VanDerWaalsContact O-N 3.13Å; L50-F57 HydrophobicContact CD1-CE2 4.21Å; L50-F57 HydrophobicContact CD1-CZ 4.5Å; L50-F57 HydrophobicContact CG-CE2 4.05Å; L50-F57 HydrophobicContact CG-CZ 4.39Å
51V91.8Very high90.8Very high26 Ų2655.9 Ų55.916%0.15832%0.316CS..Hα-helixtrans-69.1-18.1-176.8-59.20000113.5L4 V47 A48 H49 Q53 F57 L75 L77L4-V51 HydrophobicContact CD2-CG1 3.78Å; V47-V51 HydrophobicContact CG1-CG1 4.19Å; V47-V51 WeakPolarHBondContact O-CG1 3.35Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 3.3Å; A48-V51 VanDerWaalsContact O-CG2 3.29Å; A48-V51 WeakPolarHBondContact O-CG2 3.43Å; A48-V51 PolarHBondContact O-N 2.86Å; H49-V51 PolarHBondContact O-N 3.43Å; V51-Q53 VanDerWaalsContact C-N 3.34Å; V51-F57 HydrophobicContact CB-CB 4.37Å; V51-F57 HydrophobicContact CB-CD2 4.24Å; V51-F57 HydrophobicContact CG1-CB 4.35Å; V51-F57 HydrophobicContact CG1-CD2 4.26Å; V51-F57 HydrophobicContact CG1-CG 4.42Å; V51-L75 HydrophobicContact CG1-CD1 4.36Å; V51-L75 HydrophobicContact CG2-CD2 4.27Å; V51-L77 HydrophobicContact CG1-CD2 3.99Å
52S86.6Confident91Very high84 Ų8455.2 Ų55.259%0.58731%0.313SS*.THydrogen-bonded Turntrans-81.1-8.8175.275.60000114.6A48 H49 L50A48-S52 PolarHBondContact O-N 2.82Å; H49-S52 PolarHBondContact O-N 3.06Å; H49-S52 PolarHBondContact O-OG 2.86Å; L50-S52 PolarHBondContact O-N 3.41Å
53Q84.4Confident91.5Very high87 Ų8747.7 Ų47.741%0.40728%0.278SS..SBendtrans-72.5153.8-179.9-63.1-178.7-11.400112.2L50 V51 P55 P56L50-Q53 WeakPolarHBondContact O-CB 3.41Å; L50-Q53 WeakPolarHBondContact O-CG 3.41Å; L50-Q53 PolarHBondContact O-N 2.72Å; L50-Q53 VanDerWaalsContact O-N 3.13Å; V51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-P55 CarbonylContact O-C 3.5Å; Q53-P55 VanDerWaalsContact O-O 3.05Å; Q53-P56 VanDerWaalsContact O-CA 3.3Å; Q53-P56 WeakPolarHBondContact O-CA 3.1Å
54N80.6Confident92Very high149 Ų14946.1 Ų46.180%0.79727%0.266SS*.SBendtrans-92.2137.7177.2-77-52.3000111.8
55P85.6Confident92.4Very high88 Ų8844.4 Ų44.457%0.57126%0.255SS*.SBendcis-69145.4-828.1-33.7000111.9K2 Q53K2-P55 HydrophobicContact CD-CG 3.97Å; K2-P55 WeakPolarHBondContact CD-O 3.25Å; K2-P55 PolarHBondContact NZ-O 3.41Å; Q53-P55 CarbonylContact O-C 3.5Å; Q53-P55 VanDerWaalsContact O-O 3.05Å
56P89.9Confident92.7Very high73 Ų7342.4 Ų42.447%0.47424%0.236SC..PPolyproline II helixtrans-68150.5-173.629.2-35.8000111.8Q53Q53-P56 VanDerWaalsContact O-CA 3.3Å; Q53-P56 WeakPolarHBondContact O-CA 3.1Å
57F94.3Very high92.9Very high13 Ų1342.8 Ų42.86%0.05724%0.235CC..PPolyproline II helixtrans-77.1139.8169.6-68.1-91.6000110.3K2 L3 L4 E34 L50 V51 L77K2-F57 HydrophobicContact CD-CD1 4.26Å; K2-F57 HydrophobicContact CD-CE1 4.32Å; K2-F57 HydrophobicContact CG-CD1 3.86Å; K2-F57 HydrophobicContact CG-CE1 4.08Å; K2-F57 HydrophobicContact CG-CG 4.49Å; L3-F57 VanDerWaalsContact C-CD1 3.46Å; L4-F57 HydrophobicContact CB-CD1 3.6Å; L4-F57 HydrophobicContact CB-CE1 3.71Å; L4-F57 HydrophobicContact CB-CG 4.22Å; L4-F57 HydrophobicContact CB-CZ 4.42Å; L4-F57 HydrophobicContact CD1-CE1 4.29Å; L4-F57 HydrophobicContact CD1-CZ 4.37Å; L4-F57 VanDerWaalsContact N-CD1 3.28Å; E34-F57 HydrophobicContact CB-CE1 3.81Å; E34-F57 HydrophobicContact CB-CZ 4.11Å; E34-F57 WeakPolarHBondContact OE2-CZ 3.33Å; L50-F57 HydrophobicContact CD1-CE2 4.21Å; L50-F57 HydrophobicContact CD1-CZ 4.5Å; L50-F57 HydrophobicContact CG-CE2 4.05Å; L50-F57 HydrophobicContact CG-CZ 4.39Å; V51-F57 HydrophobicContact CB-CB 4.37Å; V51-F57 HydrophobicContact CB-CD2 4.24Å; V51-F57 HydrophobicContact CG1-CB 4.35Å; V51-F57 HydrophobicContact CG1-CD2 4.26Å; V51-F57 HydrophobicContact CG1-CG 4.42Å; F57-L77 HydrophobicContact CB-CD1 4.37Å; F57-L77 HydrophobicContact CB-CD2 4.16Å; F57-L77 VanDerWaalsContact O-CD1 3.24Å; F57-L77 WeakPolarHBondContact O-CD1 3.43Å
58E94.7Very high93.1Very high91 Ų9142.8 Ų42.843%0.42524%0.235SC..  trans-103.3-27.2-177.6-68.3170.8-94.100112.7M1 K2 L77 P78M1-E58 WeakPolarHBondContact CA-OE1 3.28Å; M1-E58 HydrophobicContact CB-CB 4.14Å; M1-E58 HydrophobicContact CG-CB 4.29Å; M1-E58 HydrophobicContact SD-CB 4.46Å; K2-E58 PolarHBondContact N-OE1 3.37Å; K2-E58 PolarHBondContact O-N 2.92Å; E58-L77 WeakPolarHBondContact O-CD1 2.97Å; E58-P78 WeakPolarHBondContact O-CD 3.39Å; E58-P78 WeakPolarHBondContact O-CG 3.43Å
59A96.3Very high93.3Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-151.6167.7176.600000111.4M1 L3 L4 P78 L342M1-A59 HydrophobicContact SD-CB 4.47Å; L3-A59 WeakPolarHBondContact CA-O 2.89Å; L3-A59 HydrophobicContact CD2-CB 4.2Å; L3-A59 HydrophobicContact CG-CB 4.25Å; L4-A59 PolarHBondContact N-O 2.94Å; A59-P78 CarbonylContact C-O 3.58Å; A59-P78 VanDerWaalsContact CA-O 3.26Å; A59-P78 WeakPolarHBondContact CA-O 3.3Å; A59-P78 HydrophobicContact CB-CG 4.26Å; A59-L342 HydrophobicContact CB-CB 3.65Å; A59-L342 HydrophobicContact CB-CD1 3.89Å; A59-L342 HydrophobicContact CB-CG 4.35Å
60A97.3Very high93.6Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-131.1159.3171.700000113.7L4 L72 L77 P78 F79 G80L4-A60 HydrophobicContact CB-CB 4.26Å; L4-A60 CarbonylContact O-C 3.59Å; L4-A60 WeakPolarHBondContact O-CA 3.28Å; L4-A60 WeakPolarHBondContact O-CB 3.45Å; A60-L72 HydrophobicContact CB-CD1 3.94Å; A60-L72 HydrophobicContact CB-CD2 3.89Å; A60-L77 HydrophobicContact CB-CD2 3.65Å; A60-L77 HydrophobicContact CB-CG 4.36Å; A60-P78 PolarHBondContact N-O 3.42Å; A60-F79 HydrophobicContact CB-CB 3.94Å; A60-F79 WeakPolarHBondContact O-CA 3.31Å; A60-F79 WeakPolarHBondContact O-CB 3.42Å; A60-G80 PolarHBondContact O-N 3Å
61L97.9Very high93.8Very high0 Ų039.2 Ų39.20%021%0.207CC..EExtended strand (participates in β ladder)trans-129.6152.7168.1-69.6172.6000109.4L3 L4 F5 L6 I26 G80 F110 V339 L342L3-L61 HydrophobicContact CD2-CD1 4.22Å; L3-L61 HydrophobicContact CD2-CG 4.32Å; L4-L61 PolarHBondContact O-N 3.42Å; F5-L61 WeakPolarHBondContact CA-O 3.13Å; F5-L61 HydrophobicContact CB-CB 4.49Å; F5-L61 HydrophobicContact CD2-CB 3.47Å; F5-L61 VanDerWaalsContact CD2-CB 3.47Å; F5-L61 WeakPolarHBondContact CD2-O 3.46Å; F5-L61 HydrophobicContact CE2-CB 3.77Å; F5-L61 HydrophobicContact CG-CB 4.05Å; L6-L61 PolarHBondContact N-O 3.22Å; I26-L61 HydrophobicContact CD1-CD1 3.23Å; I26-L61 HydrophobicContact CG1-CD1 4.38Å; L61-G80 WeakPolarHBondContact CA-O 3.4Å; L61-F110 HydrophobicContact CD2-CE1 4.36Å; L61-F110 HydrophobicContact CD2-CE2 4.29Å; L61-F110 HydrophobicContact CD2-CZ 3.58Å; L61-V339 HydrophobicContact CD1-CG2 3.96Å; L61-L342 HydrophobicContact CD2-CD1 3.95Å; L61-L342 HydrophobicContact CG-CD1 4.38Å
62A98.1Very high94Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-138.5140.6177.100000111.1L6 A68 L72 G80 V81 I82L6-A62 CarbonylContact O-C 3.53Å; L6-A62 VanDerWaalsContact O-CA 3.26Å; L6-A62 WeakPolarHBondContact O-CA 3.26Å; A62-A68 HydrophobicContact CB-CB 3.7Å; A62-L72 HydrophobicContact CB-CD1 3.84Å; A62-G80 PolarHBondContact N-O 3.3Å; A62-G80 VanDerWaalsContact N-O 3.15Å; A62-V81 HydrophobicContact CB-CG2 4.07Å; A62-V81 CarbonylContact O-C 3.57Å; A62-V81 WeakPolarHBondContact O-CA 3.24Å; A62-I82 PolarHBondContact O-N 3.07Å
63I97.9Very high94.3Very high5 Ų534.8 Ų34.83%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-101.6127161.8-57.3-175000108.6F5 L6 A7 T18 A19 A68 I82F5-I63 HydrophobicContact CE2-CD1 4.26Å; F5-I63 HydrophobicContact CE2-CG1 3.69Å; F5-I63 HydrophobicContact CZ-CD1 3.94Å; F5-I63 HydrophobicContact CZ-CG1 3.84Å; L6-I63 PolarHBondContact O-N 3.06Å; A7-I63 HydrophobicContact CB-CB 3.95Å; A7-I63 HydrophobicContact CB-CD1 4.06Å; A7-I63 HydrophobicContact CB-CG1 4.07Å; T18-I63 HydrophobicContact CG2-CD1 4.12Å; A19-I63 HydrophobicContact CB-CD1 3.82Å; I63-A68 WeakPolarHBondContact O-CB 3.42Å; I63-I82 CarbonylContact C-O 3.55Å; I63-I82 WeakPolarHBondContact CA-O 3.46Å; I63-I82 HydrophobicContact CG1-CB 4.39Å; I63-I82 HydrophobicContact CG1-CD1 4.16Å
64H97.4Very high94.5Very high5 Ų536.6 Ų36.62%0.02319%0.188CC..SBendtrans81.8131.6-166.9-59.1-63.5000114.3N15 K67 G69 I82 D87N15-H64 PolarHBondContact ND2-NE2 3.42Å; H64-K67 HydrophobicContact CB-CB 3.89Å; H64-K67 HydrophobicContact CB-CG 4.28Å; H64-G69 PolarHBondContact O-N 2.85Å; H64-I82 PolarHBondContact N-O 3.26Å; H64-D87 WeakPolarHBondContact CA-OD1 3.49Å; H64-D87 WeakPolarHBondContact CA-OD2 3.38Å; H64-D87 WeakPolarHBondContact CB-OD1 3.18Å; H64-D87 IonicContact CE1-OD2 3.74Å; H64-D87 IonicContact CG-OD2 3.67Å; H64-D87 IonicContact ND1-OD1 3.14Å; H64-D87 IonicContact ND1-OD2 2.8Å; H64-D87 PolarHBondContact ND1-OD2 3.1Å
65L97Very high94.9Very high0 Ų030.7 Ų30.70%016%0.157CC..THydrogen-bonded Turntrans-63.9-51.8172.5-64174.3000109.4G69 R70 V81 F83 D87 I88 M101 V104 L105 L126L65-G69 CarbonylContact O-C 3.43Å; L65-G69 VanDerWaalsContact O-CA 3.24Å; L65-G69 WeakPolarHBondContact O-CA 3.44Å; L65-G69 PolarHBondContact O-N 3.05Å; L65-R70 PolarHBondContact O-N 2.89Å; L65-V81 HydrophobicContact CD2-CB 4.31Å; L65-V81 HydrophobicContact CD2-CG1 3.58Å; L65-V81 HydrophobicContact CD2-CG2 3.77Å; L65-F83 HydrophobicContact CD1-CB 4.17Å; L65-F83 HydrophobicContact CD1-CD1 4.37Å; L65-F83 HydrophobicContact CD1-CG 4.15Å; L65-F83 HydrophobicContact CD2-CB 4.3Å; L65-F83 HydrophobicContact CD2-CD1 4.2Å; L65-F83 HydrophobicContact CG-CB 3.74Å; L65-F83 HydrophobicContact CG-CD1 4.33Å; L65-F83 HydrophobicContact CG-CG 4.15Å; L65-D87 HydrophobicContact CD1-CB 4.34Å; L65-D87 HydrophobicContact CG-CB 4.48Å; L65-D87 PolarHBondContact N-OD1 3.15Å; L65-I88 HydrophobicContact CD1-CD1 4.37Å; L65-M101 HydrophobicContact CB-CB 3.86Å; L65-M101 HydrophobicContact CB-CG 3.54Å; L65-M101 HydrophobicContact CB-SD 3.9Å; L65-M101 HydrophobicContact CD1-CB 4.09Å; L65-M101 HydrophobicContact CD1-CG 4.41Å; L65-M101 HydrophobicContact CD1-SD 4.28Å; L65-V104 HydrophobicContact CD2-CG1 3.94Å; L65-L105 HydrophobicContact CD1-CD1 4.07Å; L65-L105 HydrophobicContact CD1-CD2 4.31Å; L65-L105 HydrophobicContact CD1-CG 4.02Å; L65-L105 HydrophobicContact CD2-CD2 3.5Å; L65-L105 VanDerWaalsContact CD2-CD2 3.5Å; L65-L105 HydrophobicContact CD2-CG 3.68Å; L65-L126 HydrophobicContact CD1-CD1 3.55Å
66F96.7Very high95.1Very high42 Ų4238.6 Ų38.618%0.18418%0.175CC..THydrogen-bonded Turntrans-79.4-54-175.2-174.4-107.9000112A68 R70 D87 K97 V100 M101F66-A68 PolarHBondContact O-N 3.41Å; F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.43Å; F66-R70 WeakPolarHBondContact O-CD 3.25Å; F66-R70 WeakPolarHBondContact O-CG 3.49Å; F66-D87 PolarHBondContact N-OD1 3.34Å; F66-K97 HydrophobicContact CD1-CD 3.76Å; F66-K97 HydrophobicContact CD1-CG 4.03Å; F66-K97 HydrophobicContact CD2-CB 3.71Å; F66-K97 HydrophobicContact CD2-CD 4.39Å; F66-K97 HydrophobicContact CD2-CG 3.84Å; F66-K97 HydrophobicContact CE1-CD 3.76Å; F66-K97 HydrophobicContact CE1-CG 3.81Å; F66-K97 HydrophobicContact CE2-CB 3.89Å; F66-K97 HydrophobicContact CE2-CD 4.41Å; F66-K97 HydrophobicContact CE2-CG 3.61Å; F66-K97 HydrophobicContact CG-CB 4.06Å; F66-K97 HydrophobicContact CG-CD 4.09Å; F66-K97 HydrophobicContact CG-CG 4.05Å; F66-K97 HydrophobicContact CZ-CB 4.37Å; F66-K97 HydrophobicContact CZ-CD 4.11Å; F66-K97 HydrophobicContact CZ-CG 3.6Å; F66-V100 HydrophobicContact CD2-CB 4.05Å; F66-V100 HydrophobicContact CD2-CG1 3.92Å; F66-V100 HydrophobicContact CE2-CB 4.14Å; F66-V100 HydrophobicContact CE2-CG1 4.13Å; F66-V100 HydrophobicContact CE2-CG2 4.34Å; F66-M101 HydrophobicContact CB-CG 3.81Å; F66-M101 HydrophobicContact CB-SD 4.01Å
67K95.8Very high95.1Very high67 Ų6736.1 Ų36.129%0.29116%0.158SC..THydrogen-bonded Turntrans-66.5-46-168.8-59.6-176.9-178.2178.60113.4C8 H64C8-K67 VanDerWaalsContact SG-CD 3.55Å; H64-K67 HydrophobicContact CB-CB 3.89Å; H64-K67 HydrophobicContact CB-CG 4.28Å
68A97.3Very high95.2Very high0 Ų036.1 Ų36.10%016%0.159CC..THydrogen-bonded Turntrans-102.5-47.5-178.400000112.2L6 V38 A62 I63 F66 R70 L71L6-A68 HydrophobicContact CB-CB 3.93Å; V38-A68 HydrophobicContact CG1-CB 3.58Å; A62-A68 HydrophobicContact CB-CB 3.7Å; I63-A68 WeakPolarHBondContact O-CB 3.42Å; F66-A68 PolarHBondContact O-N 3.41Å; A68-R70 VanDerWaalsContact C-N 3.26Å; A68-R70 PolarHBondContact O-N 3.27Å; A68-L71 WeakPolarHBondContact O-CB 3.33Å; A68-L71 PolarHBondContact O-N 2.94Å
69G96.9Very high95.3Very high0 Ų032.1 Ų32.10%014%0.141CC..G310 helixtrans-56.9-36.5-174.900000113.9H64 L65 L71 L72 V104H64-G69 PolarHBondContact O-N 2.85Å; L65-G69 CarbonylContact O-C 3.43Å; L65-G69 VanDerWaalsContact O-CA 3.24Å; L65-G69 WeakPolarHBondContact O-CA 3.44Å; L65-G69 PolarHBondContact O-N 3.05Å; G69-L71 PolarHBondContact O-N 2.77Å; G69-L71 VanDerWaalsContact O-N 3.13Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.06Å; G69-V104 VanDerWaalsContact C-CG2 3.42Å
70R96.2Very high95.4Very high94 Ų9432.1 Ų32.136%0.35514%0.141SC..G310 helixtrans-56.3-30.2176.878.3-177.9175.2113.76.3113.6L65 F66 A68 L72 V100L65-R70 PolarHBondContact O-N 2.89Å; F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.43Å; F66-R70 WeakPolarHBondContact O-CD 3.25Å; F66-R70 WeakPolarHBondContact O-CG 3.49Å; A68-R70 VanDerWaalsContact C-N 3.26Å; A68-R70 PolarHBondContact O-N 3.27Å; R70-L72 PolarHBondContact O-N 2.86Å; R70-V100 HydrophobicContact CB-CG1 3.47Å; R70-V100 VanDerWaalsContact CB-CG1 3.47Å
71L96.8Very high95.4Very high0 Ų032.1 Ų32.10%014%0.141CC..G310 helixtrans-74.8-12.5-178.6-60.8174000112.5L6 V38 F41 V47 A68 G69L6-L71 HydrophobicContact CD1-CB 4.1Å; L6-L71 HydrophobicContact CD1-CD1 4.28Å; V38-L71 HydrophobicContact CB-CD1 4.31Å; V38-L71 HydrophobicContact CG1-CD1 4.29Å; F41-L71 HydrophobicContact CB-CD1 4.09Å; F41-L71 HydrophobicContact CD2-CD1 4.45Å; V47-L71 HydrophobicContact CG2-CB 3.95Å; V47-L71 HydrophobicContact CG2-CD1 4.34Å; A68-L71 WeakPolarHBondContact O-CB 3.33Å; A68-L71 PolarHBondContact O-N 2.94Å; G69-L71 PolarHBondContact O-N 2.77Å; G69-L71 VanDerWaalsContact O-N 3.13Å
72L95.9Very high95.4Very high1 Ų132.1 Ų32.11%0.00514%0.141CC..G310 helixtrans-99.1-9.6-178.5-57.5179.1000113.3L6 V47 A60 A62 G69 R70 D74 L75 F79L6-L72 HydrophobicContact CD1-CD2 3.72Å; L6-L72 HydrophobicContact CD1-CG 4.18Å; V47-L72 HydrophobicContact CG1-CD2 4.37Å; A60-L72 HydrophobicContact CB-CD1 3.94Å; A60-L72 HydrophobicContact CB-CD2 3.89Å; A62-L72 HydrophobicContact CB-CD1 3.84Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.06Å; R70-L72 PolarHBondContact O-N 2.86Å; L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.71Å; L72-L75 HydrophobicContact CD2-CD1 3.68Å; L72-L75 PolarHBondContact O-N 2.74Å; L72-F79 HydrophobicContact CB-CD1 4Å; L72-F79 HydrophobicContact CB-CD2 4.4Å; L72-F79 HydrophobicContact CB-CE1 4.14Å; L72-F79 HydrophobicContact CB-CG 4.15Å; L72-F79 HydrophobicContact CB-CZ 4.42Å; L72-F79 HydrophobicContact CD1-CB 3.78Å; L72-F79 HydrophobicContact CD1-CD1 4.45Å; L72-F79 HydrophobicContact CD1-CD2 3.82Å; L72-F79 HydrophobicContact CD1-CG 3.78Å
73L93Very high95.3Very high16 Ų1632.1 Ų32.18%0.08414%0.141CC..THydrogen-bonded Turntrans-59.7-35.7-170.8-76.2175.7000114.2V100 Q103 V104 K107L73-V100 HydrophobicContact CD1-CG1 4.08Å; L73-Q103 HydrophobicContact CD1-CB 4.32Å; L73-Q103 HydrophobicContact CD2-CB 3.92Å; L73-V104 HydrophobicContact CD1-CG2 4.04Å; L73-V104 HydrophobicContact CD2-CB 4.33Å; L73-V104 HydrophobicContact CD2-CG2 3.68Å; L73-V104 HydrophobicContact CG-CG2 3.83Å; L73-K107 HydrophobicContact CD2-CD 3.86Å; L73-K107 PolarHBondContact O-NZ 3.29Å
74D89.3Confident95.1Very high124 Ų12432.1 Ų32.166%0.66314%0.142SC*.THydrogen-bonded Turntrans-94.81.8-175.6-61.2-35.6000113.1L72L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.71Å
75L89.4Confident94.8Very high25 Ų2532.3 Ų32.313%0.13115%0.145CC..  trans-88.7145.5-179.6-52.5-178000110.8V47 A48 V51 L72 L77V47-L75 HydrophobicContact CB-CD1 4.36Å; V47-L75 HydrophobicContact CG1-CD1 3.64Å; A48-L75 HydrophobicContact CB-CD2 3.69Å; V51-L75 HydrophobicContact CG1-CD1 4.36Å; V51-L75 HydrophobicContact CG2-CD2 4.27Å; L72-L75 HydrophobicContact CD2-CD1 3.68Å; L72-L75 PolarHBondContact O-N 2.74Å; L75-L77 HydrophobicContact CB-CB 4.15Å; L75-L77 PolarHBondContact O-N 2.87Å
76R88.3Confident94.6Very high255 Ų25534.2 Ų34.296%0.96216%0.157SC*.SBendtrans-819.7170.7-63-174.3-176.7178.81.5113.2
77L91.4Very high94.5Very high20 Ų2032.2 Ų32.211%0.10515%0.148CC..SBendtrans-86.4125.6-174.1-163.566.9000109V51 F57 E58 A60 L75 F79V51-L77 HydrophobicContact CG1-CD2 3.99Å; F57-L77 HydrophobicContact CB-CD1 4.37Å; F57-L77 HydrophobicContact CB-CD2 4.16Å; F57-L77 VanDerWaalsContact O-CD1 3.24Å; F57-L77 WeakPolarHBondContact O-CD1 3.43Å; E58-L77 WeakPolarHBondContact O-CD1 2.97Å; A60-L77 HydrophobicContact CB-CD2 3.65Å; A60-L77 HydrophobicContact CB-CG 4.36Å; L75-L77 HydrophobicContact CB-CB 4.15Å; L75-L77 PolarHBondContact O-N 2.87Å; L77-F79 PolarHBondContact O-N 2.85Å
78P95.6Very high94.5Very high14 Ų1429.3 Ų29.39%0.09114%0.135CC..  trans-62.7134.6173.227.2-32.9000109.2E58 A59 A60 R109 L342E58-P78 WeakPolarHBondContact O-CD 3.39Å; E58-P78 WeakPolarHBondContact O-CG 3.43Å; A59-P78 CarbonylContact C-O 3.58Å; A59-P78 VanDerWaalsContact CA-O 3.26Å; A59-P78 WeakPolarHBondContact CA-O 3.3Å; A59-P78 HydrophobicContact CB-CG 4.26Å; A60-P78 PolarHBondContact N-O 3.42Å; P78-R109 HydrophobicContact CB-CG 4.09Å; P78-L342 WeakPolarHBondContact CG-O 3.29Å
79F97.2Very high94.4Very high7 Ų731.4 Ų31.43%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-137.9152.2-179.771-90000113.8A60 L72 L77 V104 K107 A108 R109 L342A60-F79 HydrophobicContact CB-CB 3.94Å; A60-F79 WeakPolarHBondContact O-CA 3.31Å; A60-F79 WeakPolarHBondContact O-CB 3.42Å; L72-F79 HydrophobicContact CB-CD1 4Å; L72-F79 HydrophobicContact CB-CD2 4.4Å; L72-F79 HydrophobicContact CB-CE1 4.14Å; L72-F79 HydrophobicContact CB-CG 4.15Å; L72-F79 HydrophobicContact CB-CZ 4.42Å; L72-F79 HydrophobicContact CD1-CB 3.78Å; L72-F79 HydrophobicContact CD1-CD1 4.45Å; L72-F79 HydrophobicContact CD1-CD2 3.82Å; L72-F79 HydrophobicContact CD1-CG 3.78Å; L77-F79 PolarHBondContact O-N 2.85Å; F79-V104 HydrophobicContact CE2-CG1 4.07Å; F79-K107 HydrophobicContact CE1-CB 4.04Å; F79-K107 HydrophobicContact CZ-CB 3.9Å; F79-A108 HydrophobicContact CD2-CB 4.14Å; F79-A108 HydrophobicContact CE2-CB 3.66Å; F79-A108 HydrophobicContact CZ-CB 4.26Å; F79-R109 PolarHBondContact O-N 3.24Å; F79-L342 VanDerWaalsContact C-CD2 3.49Å
80G97.4Very high94.2Very high0 Ų034.7 Ų34.70%016%0.162CC..EExtended strand (participates in β ladder)trans-108.7158.6165.600000110.5A60 L61 A62 F110A60-G80 PolarHBondContact O-N 3Å; L61-G80 WeakPolarHBondContact CA-O 3.4Å; A62-G80 PolarHBondContact N-O 3.3Å; A62-G80 VanDerWaalsContact N-O 3.15Å; G80-F110 WeakPolarHBondContact CA-O 3.38Å
81V97.6Very high94.1Very high0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-134.1142.6178.667.30000111.4A62 L65 V104 L105 A108 F110 A111 V112A62-V81 HydrophobicContact CB-CG2 4.07Å; A62-V81 CarbonylContact O-C 3.57Å; A62-V81 WeakPolarHBondContact O-CA 3.24Å; L65-V81 HydrophobicContact CD2-CB 4.31Å; L65-V81 HydrophobicContact CD2-CG1 3.58Å; L65-V81 HydrophobicContact CD2-CG2 3.77Å; V81-V104 HydrophobicContact CB-CG1 4.46Å; V81-V104 HydrophobicContact CG1-CG1 4.36Å; V81-V104 HydrophobicContact CG2-CG1 4.28Å; V81-L105 HydrophobicContact CG1-CD2 4.22Å; V81-A108 HydrophobicContact CG1-CB 3.99Å; V81-F110 PolarHBondContact N-O 2.81Å; V81-F110 VanDerWaalsContact N-O 3.11Å; V81-A111 HydrophobicContact CG1-CB 3.76Å; V81-A111 CarbonylContact O-C 3.56Å; V81-A111 WeakPolarHBondContact O-CA 3.33Å; V81-V112 PolarHBondContact O-N 2.62Å
82I97.9Very high94Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-115.3133.4175.6-58.7144.8000106.5F5 I22 A62 I63 H64 V112 F114 Y335F5-I82 HydrophobicContact CE2-CD1 4.28Å; F5-I82 HydrophobicContact CZ-CD1 4.11Å; I22-I82 HydrophobicContact CD1-CD1 3.63Å; A62-I82 PolarHBondContact O-N 3.07Å; I63-I82 CarbonylContact C-O 3.55Å; I63-I82 WeakPolarHBondContact CA-O 3.46Å; I63-I82 HydrophobicContact CG1-CB 4.39Å; I63-I82 HydrophobicContact CG1-CD1 4.16Å; H64-I82 PolarHBondContact N-O 3.26Å; I82-V112 WeakPolarHBondContact CA-O 3.49Å; I82-V112 HydrophobicContact CB-CB 4.46Å; I82-V112 HydrophobicContact CG1-CB 4.06Å; I82-V112 HydrophobicContact CG1-CG2 4.4Å; I82-V112 HydrophobicContact CG2-CB 4.4Å; I82-F114 HydrophobicContact CG2-CE1 3.66Å; I82-F114 HydrophobicContact CG2-CZ 3.69Å; I82-Y335 HydrophobicContact CD1-CE1 3.69Å; I82-Y335 HydrophobicContact CG1-CE1 3.79Å
83F96.3Very high94Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-135.8158.8-17868.4-94.6000111.7L65 D87 I88 L105 A111 V112 A113 A122 I133L65-F83 HydrophobicContact CD1-CB 4.17Å; L65-F83 HydrophobicContact CD1-CD1 4.37Å; L65-F83 HydrophobicContact CD1-CG 4.15Å; L65-F83 HydrophobicContact CD2-CB 4.3Å; L65-F83 HydrophobicContact CD2-CD1 4.2Å; L65-F83 HydrophobicContact CG-CB 3.74Å; L65-F83 HydrophobicContact CG-CD1 4.33Å; L65-F83 HydrophobicContact CG-CG 4.15Å; F83-D87 HydrophobicContact CB-CB 4.33Å; F83-I88 HydrophobicContact CD2-CD1 3.97Å; F83-I88 HydrophobicContact CD2-CG1 3.63Å; F83-I88 HydrophobicContact CE2-CD1 3.97Å; F83-I88 HydrophobicContact CE2-CG1 3.71Å; F83-L105 HydrophobicContact CE1-CD2 4.31Å; F83-A111 HydrophobicContact CD1-CB 4.29Å; F83-A111 HydrophobicContact CE1-CB 3.95Å; F83-V112 WeakPolarHBondContact CD1-O 3.37Å; F83-V112 PolarHBondContact N-O 3.41Å; F83-A113 HydrophobicContact CE1-CB 4.25Å; F83-A113 HydrophobicContact CE2-CB 3.84Å; F83-A113 HydrophobicContact CZ-CB 3.62Å; F83-A122 HydrophobicContact CE2-CB 3.61Å; F83-A122 HydrophobicContact CZ-CB 3.6Å; F83-I133 HydrophobicContact CE1-CG2 4.02Å; F83-I133 HydrophobicContact CZ-CG2 3.92Å
84G93.1Very high94.2Very high5 Ų541.4 Ų41.45%0.05220%0.198CC..  trans-144.5-164.3-176.300000112.4T86 D87 I88G84-T86 PolarHBondContact O-N 2.92Å; G84-T86 VanDerWaalsContact O-N 3.13Å; G84-D87 PolarHBondContact N-OD2 3.39Å; G84-D87 PolarHBondContact O-N 3.44Å; G84-I88 PolarHBondContact O-N 3.25Å
85G92.1Very high94.5Very high8 Ų842 Ų428%0.08220%0.197CC..Hα-helixtrans-58.7-28.7-175.100000114.3D87 N89G85-D87 VanDerWaalsContact C-N 3.34Å; G85-D87 PolarHBondContact O-N 3.09Å; G85-N89 WeakPolarHBondContact O-CA 3.07Å; G85-N89 WeakPolarHBondContact O-CB 3.4Å; G85-N89 PolarHBondContact O-N 2.93Å
86T92.6Very high94.8Very high41 Ų4148.4 Ų48.425%0.25223%0.226SC..Iπ-helixtrans-60.5-43.6175.8-52.30000111.8G84 E90 D91G84-T86 PolarHBondContact O-N 2.92Å; G84-T86 VanDerWaalsContact O-N 3.13Å; T86-E90 WeakPolarHBondContact O-CB 3.42Å; T86-E90 PolarHBondContact O-N 3.06Å; T86-D91 PolarHBondContact O-N 3.09Å
87D95.4Very high95.3Very high0 Ų038.9 Ų38.90%019%0.192CC..Iπ-helixtrans-69.4-50.1-178.9-59.8-82.4000110.7H64 L65 F66 F83 G84 G85 V92 M101H64-D87 WeakPolarHBondContact CA-OD1 3.49Å; H64-D87 WeakPolarHBondContact CA-OD2 3.38Å; H64-D87 WeakPolarHBondContact CB-OD1 3.18Å; H64-D87 IonicContact CE1-OD2 3.74Å; H64-D87 IonicContact CG-OD2 3.67Å; H64-D87 IonicContact ND1-OD1 3.14Å; H64-D87 IonicContact ND1-OD2 2.8Å; H64-D87 PolarHBondContact ND1-OD2 3.1Å; L65-D87 HydrophobicContact CD1-CB 4.34Å; L65-D87 HydrophobicContact CG-CB 4.48Å; L65-D87 PolarHBondContact N-OD1 3.15Å; F66-D87 PolarHBondContact N-OD1 3.34Å; F83-D87 HydrophobicContact CB-CB 4.33Å; G84-D87 PolarHBondContact N-OD2 3.39Å; G84-D87 PolarHBondContact O-N 3.44Å; G85-D87 VanDerWaalsContact C-N 3.34Å; G85-D87 PolarHBondContact O-N 3.09Å; D87-V92 PolarHBondContact O-N 2.92Å; D87-M101 HydrophobicContact CB-SD 3.99Å
88I95.4Very high95.5Very high5 Ų542.2 Ų42.23%0.02620%0.203CC..Iπ-helixtrans-86.9-29.6-168.5-56-53.2000113.4L65 F83 G84 V92 L118 E121 A122 V125 L126L65-I88 HydrophobicContact CD1-CD1 4.37Å; F83-I88 HydrophobicContact CD2-CD1 3.97Å; F83-I88 HydrophobicContact CD2-CG1 3.63Å; F83-I88 HydrophobicContact CE2-CD1 3.97Å; F83-I88 HydrophobicContact CE2-CG1 3.71Å; G84-I88 PolarHBondContact O-N 3.25Å; I88-V92 WeakPolarHBondContact O-CG1 3.29Å; I88-L118 HydrophobicContact CB-CD2 4.07Å; I88-L118 HydrophobicContact CG1-CD2 4.38Å; I88-L118 HydrophobicContact CG2-CD2 4.33Å; I88-E121 HydrophobicContact CG2-CB 3.77Å; I88-E121 HydrophobicContact CG2-CG 3.41Å; I88-E121 VanDerWaalsContact CG2-CG 3.41Å; I88-A122 HydrophobicContact CD1-CB 3.61Å; I88-A122 HydrophobicContact CG1-CB 4.17Å; I88-V125 HydrophobicContact CG2-CG2 4.49Å; I88-L126 HydrophobicContact CD1-CD1 3.82Å
89N94Very high95.5Very high45 Ų4544.5 Ų44.524%0.24122%0.217CC..Iπ-helixtrans-95.1-25.7-179.3-52.9-10.4000112.4G85 K93 S253 E254G85-N89 WeakPolarHBondContact O-CA 3.07Å; G85-N89 WeakPolarHBondContact O-CB 3.4Å; G85-N89 PolarHBondContact O-N 2.93Å; N89-K93 WeakPolarHBondContact O-CE 3.48Å; N89-K93 PolarHBondContact O-NZ 3.37Å; N89-S253 VanDerWaalsContact CB-OG 3.27Å; N89-S253 WeakPolarHBondContact CB-OG 3.42Å; N89-S253 PolarHBondContact ND2-OG 3.36Å; N89-E254 PolarHBondContact ND2-O 3.09Å
90E93.1Very high95.4Very high69 Ų6945.9 Ų45.932%0.32223%0.226SC..Iπ-helixtrans-122.1-60.8-172.4-53.9-51.9148.700113.2T86 V92 K93 S253T86-E90 WeakPolarHBondContact O-CB 3.42Å; T86-E90 PolarHBondContact O-N 3.06Å; E90-V92 VanDerWaalsContact C-N 3.25Å; E90-V92 PolarHBondContact O-N 3.44Å; E90-K93 WeakPolarHBondContact O-CB 3.32Å; E90-K93 PolarHBondContact O-N 3.5Å; E90-K93 VanDerWaalsContact O-N 3.14Å; E90-K93 IonicContact OE1-NZ 3.71Å; E90-K93 IonicContact OE2-NZ 2.72Å; E90-K93 PolarHBondContact OE2-NZ 2.98Å; E90-S253 WeakPolarHBondContact OE1-CB 3.27Å; E90-S253 PolarHBondContact OE1-OG 2.93Å
91D94.8Very high95.4Very high14 Ų1445.9 Ų45.98%0.07523%0.226CC..G310 helixtrans-65.4-28.5-173-75.7-38.7000112.3T86 K93 D94 K97 M101T86-D91 PolarHBondContact O-N 3.09Å; D91-K93 PolarHBondContact O-N 3.44Å; D91-D94 PolarHBondContact O-N 3.01Å; D91-D94 VanDerWaalsContact O-N 3.15Å; D91-K97 HydrophobicContact CB-CD 3.85Å; D91-K97 WeakPolarHBondContact O-CB 3.49Å; D91-K97 WeakPolarHBondContact OD1-CD 3.35Å; D91-K97 IonicContact OD1-NZ 3.69Å; D91-K97 PolarHBondContact OD1-NZ 3.2Å; D91-M101 HydrophobicContact CB-CE 4.34Å; D91-M101 HydrophobicContact CB-SD 4.27Å
92V94.4Very high95.3Very high21 Ų2149.1 Ų49.113%0.12724%0.241CC..G310 helixtrans-63.2-22.6176.677.70000114.2D87 I88 E90 D94 R98 M101 V125 L126D87-V92 PolarHBondContact O-N 2.92Å; I88-V92 WeakPolarHBondContact O-CG1 3.29Å; E90-V92 VanDerWaalsContact C-N 3.25Å; E90-V92 PolarHBondContact O-N 3.44Å; V92-D94 PolarHBondContact O-N 3.44Å; V92-R98 HydrophobicContact CG2-CB 4.36Å; V92-R98 HydrophobicContact CG2-CG 3.9Å; V92-M101 VanDerWaalsContact CA-CE 3.42Å; V92-M101 HydrophobicContact CB-CE 3.84Å; V92-M101 HydrophobicContact CG2-CE 4.14Å; V92-V125 HydrophobicContact CG2-CB 4.02Å; V92-V125 HydrophobicContact CG2-CG2 3.85Å; V92-L126 HydrophobicContact CG2-CD2 3.96Å
93K95.1Very high95.1Very high150 Ų15053.6 Ų53.665%0.65226%0.262SS*.G310 helixtrans-68.8-19.3178.3-62.1170.8-179.9154.40112N89 E90 D91N89-K93 WeakPolarHBondContact O-CE 3.48Å; N89-K93 PolarHBondContact O-NZ 3.37Å; E90-K93 WeakPolarHBondContact O-CB 3.32Å; E90-K93 PolarHBondContact O-N 3.5Å; E90-K93 VanDerWaalsContact O-N 3.14Å; E90-K93 IonicContact OE1-NZ 3.71Å; E90-K93 IonicContact OE2-NZ 2.72Å; E90-K93 PolarHBondContact OE2-NZ 2.98Å; D91-K93 PolarHBondContact O-N 3.44Å
94D97.1Very high95.1Very high66 Ų6653.6 Ų53.635%0.35326%0.262SS..SBendtrans-91.3117.2173.3-177.4-46.3000109.4D91 V92 Q96 K97 R98D91-D94 PolarHBondContact O-N 3.01Å; D91-D94 VanDerWaalsContact O-N 3.15Å; V92-D94 PolarHBondContact O-N 3.44Å; D94-Q96 VanDerWaalsContact C-N 3.29Å; D94-Q96 PolarHBondContact O-N 3.49Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.34Å; D94-Q96 PolarHBondContact OD1-N 3.07Å; D94-K97 HydrophobicContact CB-CB 4.04Å; D94-K97 HydrophobicContact CB-CD 3.89Å; D94-K97 HydrophobicContact CB-CG 3.82Å; D94-K97 PolarHBondContact O-N 3.35Å; D94-K97 PolarHBondContact OD1-N 3.45Å; D94-K97 VanDerWaalsContact OD1-N 3.15Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 PolarHBondContact O-N 3.47Å
95E96.1Very high95.1Very high136 Ų13653.6 Ų53.664%0.63626%0.261SS*.Hα-helixtrans-59.7-37.9-175.7-175.7174.1-160.800112.8R98 V99E95-R98 PolarHBondContact O-N 3.11Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.89Å; E95-V99 VanDerWaalsContact O-N 3.12Å
96Q96.6Very high95.2Very high160 Ų16058.6 Ų58.675%0.74829%0.285SS*.Hα-helixtrans-69-42-180-62.3-176.6-8.300110.7D94 V100D94-Q96 VanDerWaalsContact C-N 3.29Å; D94-Q96 PolarHBondContact O-N 3.49Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.34Å; D94-Q96 PolarHBondContact OD1-N 3.07Å; Q96-V100 WeakPolarHBondContact O-CG2 3.28Å; Q96-V100 PolarHBondContact O-N 3.42Å
97K97.2Very high95.2Very high55 Ų5561.8 Ų61.824%0.23930%0.295CS..Hα-helixtrans-64.2-43.4174.8-61.6-171.2-176.8168.30111.2F66 D91 D94 V99 V100 M101F66-K97 HydrophobicContact CD1-CD 3.76Å; F66-K97 HydrophobicContact CD1-CG 4.03Å; F66-K97 HydrophobicContact CD2-CB 3.71Å; F66-K97 HydrophobicContact CD2-CD 4.39Å; F66-K97 HydrophobicContact CD2-CG 3.84Å; F66-K97 HydrophobicContact CE1-CD 3.76Å; F66-K97 HydrophobicContact CE1-CG 3.81Å; F66-K97 HydrophobicContact CE2-CB 3.89Å; F66-K97 HydrophobicContact CE2-CD 4.41Å; F66-K97 HydrophobicContact CE2-CG 3.61Å; F66-K97 HydrophobicContact CG-CB 4.06Å; F66-K97 HydrophobicContact CG-CD 4.09Å; F66-K97 HydrophobicContact CG-CG 4.05Å; F66-K97 HydrophobicContact CZ-CB 4.37Å; F66-K97 HydrophobicContact CZ-CD 4.11Å; F66-K97 HydrophobicContact CZ-CG 3.6Å; D91-K97 HydrophobicContact CB-CD 3.85Å; D91-K97 WeakPolarHBondContact O-CB 3.49Å; D91-K97 WeakPolarHBondContact OD1-CD 3.35Å; D91-K97 IonicContact OD1-NZ 3.69Å; D91-K97 PolarHBondContact OD1-NZ 3.2Å; D94-K97 HydrophobicContact CB-CB 4.04Å; D94-K97 HydrophobicContact CB-CD 3.89Å; D94-K97 HydrophobicContact CB-CG 3.82Å; D94-K97 PolarHBondContact O-N 3.35Å; D94-K97 PolarHBondContact OD1-N 3.45Å; D94-K97 VanDerWaalsContact OD1-N 3.15Å; K97-V99 PolarHBondContact O-N 3.41Å; K97-V100 WeakPolarHBondContact O-CB 3.44Å; K97-V100 PolarHBondContact O-N 3.19Å; K97-V100 VanDerWaalsContact O-N 3.12Å; K97-M101 VanDerWaalsContact O-CG 3.3Å; K97-M101 WeakPolarHBondContact O-CG 3.08Å; K97-M101 PolarHBondContact O-N 2.93Å
98R96.2Very high95.1Very high90 Ų9061.8 Ų61.834%0.3430%0.296SS..Hα-helixtrans-55.3-50179.2-175.4178.164177.8-2.8111.9V92 D94 E95 V100 M101 E102 L126V92-R98 HydrophobicContact CG2-CB 4.36Å; V92-R98 HydrophobicContact CG2-CG 3.9Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 PolarHBondContact O-N 3.47Å; E95-R98 PolarHBondContact O-N 3.11Å; R98-V100 VanDerWaalsContact C-N 3.27Å; R98-V100 PolarHBondContact O-N 3.39Å; R98-M101 HydrophobicContact CB-CE 4.43Å; R98-M101 WeakPolarHBondContact O-CB 3.29Å; R98-M101 PolarHBondContact O-N 2.81Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.06Å; R98-L126 HydrophobicContact CG-CD2 3.76Å
99V95.6Very high95.1Very high63 Ų6368.4 Ų68.438%0.38232%0.32SS..Hα-helixtrans-57.5-41.3177.5172.20000111.6E95 K97 Q103E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.89Å; E95-V99 VanDerWaalsContact O-N 3.12Å; K97-V99 PolarHBondContact O-N 3.41Å; V99-Q103 WeakPolarHBondContact O-CG 3.41Å; V99-Q103 PolarHBondContact O-N 3.3Å
100V96Very high95.2Very high36 Ų3666.3 Ų66.322%0.21831%0.309CS..Hα-helixtrans-64.8-43.7176172.70000111.1F66 R70 L73 Q96 K97 R98 E102 Q103 V104F66-V100 HydrophobicContact CD2-CB 4.05Å; F66-V100 HydrophobicContact CD2-CG1 3.92Å; F66-V100 HydrophobicContact CE2-CB 4.14Å; F66-V100 HydrophobicContact CE2-CG1 4.13Å; F66-V100 HydrophobicContact CE2-CG2 4.34Å; R70-V100 HydrophobicContact CB-CG1 3.47Å; R70-V100 VanDerWaalsContact CB-CG1 3.47Å; L73-V100 HydrophobicContact CD1-CG1 4.08Å; Q96-V100 WeakPolarHBondContact O-CG2 3.28Å; Q96-V100 PolarHBondContact O-N 3.42Å; K97-V100 WeakPolarHBondContact O-CB 3.44Å; K97-V100 PolarHBondContact O-N 3.19Å; K97-V100 VanDerWaalsContact O-N 3.12Å; R98-V100 VanDerWaalsContact C-N 3.27Å; R98-V100 PolarHBondContact O-N 3.39Å; V100-E102 PolarHBondContact O-N 2.71Å; V100-Q103 PolarHBondContact O-N 3.1Å; V100-V104 HydrophobicContact CG1-CG2 4.48Å; V100-V104 VanDerWaalsContact O-CG2 3.32Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.41Å
101M96.7Very high95.4Very high0 Ų063 Ų630%029%0.294CS..Hα-helixtrans-63.4-39.7178.9-67.5-170-64.200112.6L65 F66 D87 D91 V92 K97 R98 V104 L105 L126L65-M101 HydrophobicContact CB-CB 3.86Å; L65-M101 HydrophobicContact CB-CG 3.54Å; L65-M101 HydrophobicContact CB-SD 3.9Å; L65-M101 HydrophobicContact CD1-CB 4.09Å; L65-M101 HydrophobicContact CD1-CG 4.41Å; L65-M101 HydrophobicContact CD1-SD 4.28Å; F66-M101 HydrophobicContact CB-CG 3.81Å; F66-M101 HydrophobicContact CB-SD 4.01Å; D87-M101 HydrophobicContact CB-SD 3.99Å; D91-M101 HydrophobicContact CB-CE 4.34Å; D91-M101 HydrophobicContact CB-SD 4.27Å; V92-M101 VanDerWaalsContact CA-CE 3.42Å; V92-M101 HydrophobicContact CB-CE 3.84Å; V92-M101 HydrophobicContact CG2-CE 4.14Å; K97-M101 VanDerWaalsContact O-CG 3.3Å; K97-M101 WeakPolarHBondContact O-CG 3.08Å; K97-M101 PolarHBondContact O-N 2.93Å; R98-M101 HydrophobicContact CB-CE 4.43Å; R98-M101 WeakPolarHBondContact O-CB 3.29Å; R98-M101 PolarHBondContact O-N 2.81Å; M101-V104 PolarHBondContact O-N 2.88Å; M101-L105 PolarHBondContact O-N 3.37Å; M101-L126 HydrophobicContact CB-CD1 4.35Å; M101-L126 HydrophobicContact CB-CD2 4.12Å; M101-L126 HydrophobicContact CE-CD2 4.22Å
102E95.4Very high95.5Very high67 Ų6762.4 Ų62.431%0.31329%0.29SS..Hα-helixtrans-58.7-46.3173.4-69.7171.7-174.800111.2R98 V100 V104 L105 L106 L126R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.06Å; V100-E102 PolarHBondContact O-N 2.71Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 3.08Å; E102-L105 PolarHBondContact O-N 2.87Å; E102-L106 WeakPolarHBondContact O-CB 3.46Å; E102-L106 PolarHBondContact O-N 2.84Å; E102-L126 HydrophobicContact CG-CB 4.06Å; E102-L126 HydrophobicContact CG-CD2 4.02Å
103Q94.6Very high95.6Very high95 Ų9561.4 Ų61.444%0.44428%0.284SS..Hα-helixtrans-63.3-38.8176.7-70.1-178.1-5.700112.4L73 V99 V100 L106 K107L73-Q103 HydrophobicContact CD1-CB 4.32Å; L73-Q103 HydrophobicContact CD2-CB 3.92Å; V99-Q103 WeakPolarHBondContact O-CG 3.41Å; V99-Q103 PolarHBondContact O-N 3.3Å; V100-Q103 PolarHBondContact O-N 3.1Å; Q103-L106 PolarHBondContact O-N 2.89Å; Q103-K107 WeakPolarHBondContact O-CB 3.44Å; Q103-K107 PolarHBondContact O-N 2.79Å
104V95.5Very high95.5Very high0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-63.3-49.5177.11700000110L65 G69 L73 F79 V81 V100 M101 E102 L106 K107 A108L65-V104 HydrophobicContact CD2-CG1 3.94Å; G69-V104 VanDerWaalsContact C-CG2 3.42Å; L73-V104 HydrophobicContact CD1-CG2 4.04Å; L73-V104 HydrophobicContact CD2-CB 4.33Å; L73-V104 HydrophobicContact CD2-CG2 3.68Å; L73-V104 HydrophobicContact CG-CG2 3.83Å; F79-V104 HydrophobicContact CE2-CG1 4.07Å; V81-V104 HydrophobicContact CB-CG1 4.46Å; V81-V104 HydrophobicContact CG1-CG1 4.36Å; V81-V104 HydrophobicContact CG2-CG1 4.28Å; V100-V104 HydrophobicContact CG1-CG2 4.48Å; V100-V104 VanDerWaalsContact O-CG2 3.32Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.41Å; M101-V104 PolarHBondContact O-N 2.88Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 3.08Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.26Å; V104-K107 PolarHBondContact O-N 3.15Å; V104-A108 VanDerWaalsContact O-CB 3.29Å; V104-A108 WeakPolarHBondContact O-CB 3.43Å; V104-A108 PolarHBondContact O-N 3.17Å
105L94.3Very high95.4Very high5 Ų552.9 Ų52.93%0.02625%0.246CC..Hα-helixtrans-61.1-41177.3-78.6-178.7000112.3L65 V81 F83 M101 E102 K107 A111 L126L65-L105 HydrophobicContact CD1-CD1 4.07Å; L65-L105 HydrophobicContact CD1-CD2 4.31Å; L65-L105 HydrophobicContact CD1-CG 4.02Å; L65-L105 HydrophobicContact CD2-CD2 3.5Å; L65-L105 VanDerWaalsContact CD2-CD2 3.5Å; L65-L105 HydrophobicContact CD2-CG 3.68Å; V81-L105 HydrophobicContact CG1-CD2 4.22Å; F83-L105 HydrophobicContact CE1-CD2 4.31Å; M101-L105 PolarHBondContact O-N 3.37Å; E102-L105 PolarHBondContact O-N 2.87Å; L105-K107 PolarHBondContact O-N 2.86Å; L105-A111 HydrophobicContact CD2-CB 3.52Å; L105-L126 HydrophobicContact CD1-CB 3.9Å; L105-L126 HydrophobicContact CD1-CD1 3.37Å; L105-L126 HydrophobicContact CD1-CG 4.25Å; L105-L126 HydrophobicContact CG-CD1 4.44Å
106L92.3Very high95.2Very high113 Ų11351.1 Ų51.159%0.59224%0.237SC*.Hα-helixtrans-61.7-45.7179.5-177.964.6000111.8E102 Q103 V104 K132E102-L106 WeakPolarHBondContact O-CB 3.46Å; E102-L106 PolarHBondContact O-N 2.84Å; Q103-L106 PolarHBondContact O-N 2.89Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.26Å; L106-K132 PolarHBondContact O-NZ 3.13Å; L106-K132 VanDerWaalsContact O-NZ 3.11Å
107K92.8Very high94.9Very high107 Ų10748.7 Ų48.747%0.46523%0.225SC..Hα-helixtrans-78.6-27.2-178.4-73.9-173.4177.6174.40113.5L73 F79 Q103 V104 L105L73-K107 HydrophobicContact CD2-CD 3.86Å; L73-K107 PolarHBondContact O-NZ 3.29Å; F79-K107 HydrophobicContact CE1-CB 4.04Å; F79-K107 HydrophobicContact CZ-CB 3.9Å; Q103-K107 WeakPolarHBondContact O-CB 3.44Å; Q103-K107 PolarHBondContact O-N 2.79Å; V104-K107 PolarHBondContact O-N 3.15Å; L105-K107 PolarHBondContact O-N 2.86Å
108A94.6Very high94.6Very high1 Ų146.6 Ų46.61%0.00822%0.216CC..  trans-59.2143.1178.200000111.5F79 V81 V104 K132F79-A108 HydrophobicContact CD2-CB 4.14Å; F79-A108 HydrophobicContact CE2-CB 3.66Å; F79-A108 HydrophobicContact CZ-CB 4.26Å; V81-A108 HydrophobicContact CG1-CB 3.99Å; V104-A108 VanDerWaalsContact O-CB 3.29Å; V104-A108 WeakPolarHBondContact O-CB 3.43Å; V104-A108 PolarHBondContact O-N 3.17Å; A108-K132 PolarHBondContact O-NZ 3.2Å
109R94.8Very high94.5Very high144 Ų14443.6 Ų43.654%0.54321%0.205SC..SBendtrans-74.3-33.4174.2-70.3-68.3-178.8167.2-1.6111.8P78 F79 L342P78-R109 HydrophobicContact CB-CG 4.09Å; F79-R109 PolarHBondContact O-N 3.24Å; R109-L342 HydrophobicContact CB-CD2 3.74Å; R109-L342 HydrophobicContact CG-CD2 4.04Å
110F95.9Very high94.4Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-151.8158.217066.7-96.4000109L61 G80 V81 V112 Y134 L338 L342L61-F110 HydrophobicContact CD2-CE1 4.36Å; L61-F110 HydrophobicContact CD2-CE2 4.29Å; L61-F110 HydrophobicContact CD2-CZ 3.58Å; G80-F110 WeakPolarHBondContact CA-O 3.38Å; V81-F110 PolarHBondContact N-O 2.81Å; V81-F110 VanDerWaalsContact N-O 3.11Å; F110-V112 HydrophobicContact CD2-CG2 3.93Å; F110-V112 HydrophobicContact CE2-CG2 3.93Å; F110-Y134 HydrophobicContact CB-CD2 4.01Å; F110-Y134 HydrophobicContact CB-CE2 3.8Å; F110-L338 HydrophobicContact CB-CD2 4.33Å; F110-L338 HydrophobicContact CD1-CB 4.18Å; F110-L338 HydrophobicContact CD2-CB 4.15Å; F110-L338 HydrophobicContact CD2-CD1 3.96Å; F110-L338 HydrophobicContact CD2-CD2 4.28Å; F110-L338 HydrophobicContact CD2-CG 4.37Å; F110-L338 HydrophobicContact CE1-CB 3.85Å; F110-L338 WeakPolarHBondContact CE1-O 3.44Å; F110-L338 HydrophobicContact CE2-CB 3.85Å; F110-L338 HydrophobicContact CE2-CD1 3.95Å; F110-L338 HydrophobicContact CE2-CG 4.41Å; F110-L338 HydrophobicContact CG-CB 4.31Å; F110-L338 HydrophobicContact CG-CD2 4.17Å; F110-L338 HydrophobicContact CZ-CB 3.67Å; F110-L342 HydrophobicContact CD1-CD2 4.01Å; F110-L342 HydrophobicContact CD1-CG 4.48Å; F110-L342 HydrophobicContact CE1-CD1 3.99Å; F110-L342 HydrophobicContact CE1-CD2 3.67Å; F110-L342 HydrophobicContact CE1-CG 3.77Å; F110-L342 HydrophobicContact CZ-CD1 4.5Å
111A96.9Very high94.2Very high1 Ų148.1 Ų48.11%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-125.9154.4168.100000110.4V81 F83 L105 K132 I133 Y134V81-A111 HydrophobicContact CG1-CB 3.76Å; V81-A111 CarbonylContact O-C 3.56Å; V81-A111 WeakPolarHBondContact O-CA 3.33Å; F83-A111 HydrophobicContact CD1-CB 4.29Å; F83-A111 HydrophobicContact CE1-CB 3.95Å; L105-A111 HydrophobicContact CD2-CB 3.52Å; A111-K132 PolarHBondContact N-O 2.62Å; A111-I133 HydrophobicContact CB-CG1 4.16Å; A111-Y134 PolarHBondContact O-N 3.22Å
112V97.4Very high94Very high0 Ų048.1 Ų48.10%022%0.22CC..EExtended strand (participates in β ladder)trans-125.7123.1178.3-179.20000110.1V81 I82 F83 F110 Y134 Q136 Y335 L338V81-V112 PolarHBondContact O-N 2.62Å; I82-V112 WeakPolarHBondContact CA-O 3.49Å; I82-V112 HydrophobicContact CB-CB 4.46Å; I82-V112 HydrophobicContact CG1-CB 4.06Å; I82-V112 HydrophobicContact CG1-CG2 4.4Å; I82-V112 HydrophobicContact CG2-CB 4.4Å; F83-V112 WeakPolarHBondContact CD1-O 3.37Å; F83-V112 PolarHBondContact N-O 3.41Å; F110-V112 HydrophobicContact CD2-CG2 3.93Å; F110-V112 HydrophobicContact CE2-CG2 3.93Å; V112-Y134 CarbonylContact C-O 3.58Å; V112-Y134 VanDerWaalsContact CA-O 3.3Å; V112-Y134 WeakPolarHBondContact CA-O 3.25Å; V112-Q136 HydrophobicContact CG1-CB 3.67Å; V112-Y335 HydrophobicContact CG2-CE1 4.11Å; V112-L338 HydrophobicContact CG2-CD1 3.54Å
113A95.9Very high93.9Very high0 Ų047 Ų470%021%0.214CC..EExtended strand (participates in β ladder)trans-10214816700000109.7F83 L118 K119 I133 Y134 V135 Q136F83-A113 HydrophobicContact CE1-CB 4.25Å; F83-A113 HydrophobicContact CE2-CB 3.84Å; F83-A113 HydrophobicContact CZ-CB 3.62Å; A113-L118 HydrophobicContact CB-CB 4.13Å; A113-K119 HydrophobicContact CB-CB 3.96Å; A113-I133 HydrophobicContact CB-CG2 4.08Å; A113-Y134 PolarHBondContact N-O 2.66Å; A113-V135 WeakPolarHBondContact O-CA 3.46Å; A113-Q136 PolarHBondContact O-N 3.19Å
114F94.7Very high93.7Very high18 Ų1850.7 Ų50.78%0.07923%0.229CC..SBendtrans-77.8-20.6179-60.6-45.4000114.1T18 I82 L118 P137 Q138 M256T18-F114 HydrophobicContact CG2-CZ 4.36Å; I82-F114 HydrophobicContact CG2-CE1 3.66Å; I82-F114 HydrophobicContact CG2-CZ 3.69Å; F114-L118 HydrophobicContact CB-CD1 4.3Å; F114-P137 WeakPolarHBondContact O-CA 3.38Å; F114-Q138 HydrophobicContact CD1-CG 3.69Å; F114-Q138 HydrophobicContact CD2-CG 4.4Å; F114-Q138 HydrophobicContact CE1-CG 3.68Å; F114-Q138 HydrophobicContact CE2-CG 4.39Å; F114-Q138 HydrophobicContact CG-CG 4.07Å; F114-Q138 HydrophobicContact CZ-CG 4.04Å; F114-M256 HydrophobicContact CB-CB 4.22Å; F114-M256 HydrophobicContact CB-CE 3.88Å; F114-M256 HydrophobicContact CB-SD 4.11Å; F114-M256 WeakPolarHBondContact O-CE 3.5Å
115T93.4Very high93.5Very high20 Ų2052 Ų5212%0.12324%0.238CC..SBendtrans-140.6157.4-179.963.90000110.7K117 L118 K119 M256T115-K117 VanDerWaalsContact C-N 3.27Å; T115-K117 PolarHBondContact O-N 3.16Å; T115-L118 PolarHBondContact O-N 3.11Å; T115-L118 WeakPolarHBondContact OG1-CB 3.33Å; T115-L118 WeakPolarHBondContact OG1-CG 3.33Å; T115-L118 PolarHBondContact OG1-N 2.57Å; T115-K119 PolarHBondContact O-N 2.99Å; T115-K119 VanDerWaalsContact O-N 3.09Å; T115-M256 HydrophobicContact CG2-CE 3.37Å
116E92.1Very high93.3Very high98 Ų9852.1 Ų52.146%0.45824%0.238SC..Hα-helixtrans-57-44.2172.3-159.765.9-138.300110.9L118 K119 E120 V135E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.09Å; E116-K119 CarbonylContact O-C 3.59Å; E116-K119 WeakPolarHBondContact O-CA 3.32Å; E116-K119 VanDerWaalsContact O-CB 3.31Å; E116-K119 WeakPolarHBondContact O-CB 3.41Å; E116-K119 PolarHBondContact O-N 3.29Å; E116-E120 WeakPolarHBondContact O-CG 3.34Å; E116-E120 PolarHBondContact O-N 2.8Å; E116-V135 WeakPolarHBondContact OE2-CG2 3.49Å
117K90.6Very high92.7Very high110 Ų11051 Ų5148%0.47825%0.245SC..Hα-helixtrans-58.6-40.7177.1-176.9170-177.4160.30113.4T115 K119 E121T115-K117 VanDerWaalsContact C-N 3.27Å; T115-K117 PolarHBondContact O-N 3.16Å; K117-K119 VanDerWaalsContact C-N 3.31Å; K117-E121 WeakPolarHBondContact O-CB 3.47Å; K117-E121 PolarHBondContact O-N 3.2Å
118L91.9Very high91.5Very high10 Ų1046.8 Ų46.85%0.05223%0.229CC..Hα-helixtrans-67.8-33.9175.9-82.5171000111.8I88 A113 F114 T115 E116 A122I88-L118 HydrophobicContact CB-CD2 4.07Å; I88-L118 HydrophobicContact CG1-CD2 4.38Å; I88-L118 HydrophobicContact CG2-CD2 4.33Å; A113-L118 HydrophobicContact CB-CB 4.13Å; F114-L118 HydrophobicContact CB-CD1 4.3Å; T115-L118 PolarHBondContact O-N 3.11Å; T115-L118 WeakPolarHBondContact OG1-CB 3.33Å; T115-L118 WeakPolarHBondContact OG1-CG 3.33Å; T115-L118 PolarHBondContact OG1-N 2.57Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.09Å; L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.26Å; L118-A122 PolarHBondContact O-N 3.12Å
119K94.2Very high90Very high27 Ų2750.2 Ų50.212%0.11725%0.251CS..Hα-helixtrans-64.4-54.8172.8168.6179.9174.2-169.50110.5A113 T115 E116 K117 E121 A122 E123 D130 I133 V135A113-K119 HydrophobicContact CB-CB 3.96Å; T115-K119 PolarHBondContact O-N 2.99Å; T115-K119 VanDerWaalsContact O-N 3.09Å; E116-K119 CarbonylContact O-C 3.59Å; E116-K119 WeakPolarHBondContact O-CA 3.32Å; E116-K119 VanDerWaalsContact O-CB 3.31Å; E116-K119 WeakPolarHBondContact O-CB 3.41Å; E116-K119 PolarHBondContact O-N 3.29Å; K117-K119 VanDerWaalsContact C-N 3.31Å; K119-E121 VanDerWaalsContact C-N 3.31Å; K119-E121 PolarHBondContact O-N 3.4Å; K119-A122 WeakPolarHBondContact O-CB 3.43Å; K119-A122 PolarHBondContact O-N 3.38Å; K119-A122 VanDerWaalsContact O-N 3.09Å; K119-E123 WeakPolarHBondContact CE-OE1 3.44Å; K119-E123 HydrophobicContact CG-CG 4.5Å; K119-E123 IonicContact NZ-OE1 2.77Å; K119-E123 WeakPolarHBondContact O-CG 3.29Å; K119-E123 PolarHBondContact O-N 3.36Å; K119-D130 WeakPolarHBondContact CE-OD1 3.46Å; K119-D130 IonicContact NZ-OD1 3.7Å; K119-D130 PolarHBondContact NZ-OD1 2.88Å; K119-I133 HydrophobicContact CB-CG2 3.95Å; K119-I133 HydrophobicContact CD-CB 4.25Å; K119-I133 HydrophobicContact CD-CG2 4.06Å; K119-I133 WeakPolarHBondContact CE-O 3.49Å; K119-I133 HydrophobicContact CG-CB 4.06Å; K119-I133 HydrophobicContact CG-CG2 3.66Å; K119-V135 HydrophobicContact CB-CG2 3.89Å; K119-V135 HydrophobicContact CD-CG2 3.78Å; K119-V135 HydrophobicContact CG-CG2 4.45Å
120E92.3Very high88.6Confident112 Ų11248 Ų4852%0.52325%0.251SS..Hα-helixtrans-55.4-45.6-179.8-69.5171170.500111.6E116 E123 F124E116-E120 WeakPolarHBondContact O-CG 3.34Å; E116-E120 PolarHBondContact O-N 2.8Å; E120-E123 PolarHBondContact O-N 2.85Å; E120-F124 PolarHBondContact O-N 3.5Å
121E92.3Very high87.2Confident82 Ų8252.8 Ų52.838%0.38328%0.284SS..Hα-helixtrans-65.2-42.8177.9-169.469.1-149.400111.2I88 K117 K119 E123 F124 V125I88-E121 HydrophobicContact CG2-CB 3.77Å; I88-E121 HydrophobicContact CG2-CG 3.41Å; I88-E121 VanDerWaalsContact CG2-CG 3.41Å; K117-E121 WeakPolarHBondContact O-CB 3.47Å; K117-E121 PolarHBondContact O-N 3.2Å; K119-E121 VanDerWaalsContact C-N 3.31Å; K119-E121 PolarHBondContact O-N 3.4Å; E121-E123 VanDerWaalsContact C-N 3.34Å; E121-E123 PolarHBondContact O-N 2.99Å; E121-F124 PolarHBondContact O-N 2.87Å; E121-V125 HydrophobicContact CG-CG1 4.32Å; E121-V125 WeakPolarHBondContact O-CG1 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 3.43Å; E121-V125 WeakPolarHBondContact OE1-CG1 3.4Å
122A93.3Very high86.7Confident0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-61.6-40.417700000112.5F83 I88 L118 K119 F124 L126 I133F83-A122 HydrophobicContact CE2-CB 3.61Å; F83-A122 HydrophobicContact CZ-CB 3.6Å; I88-A122 HydrophobicContact CD1-CB 3.61Å; I88-A122 HydrophobicContact CG1-CB 4.17Å; L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.26Å; L118-A122 PolarHBondContact O-N 3.12Å; K119-A122 WeakPolarHBondContact O-CB 3.43Å; K119-A122 PolarHBondContact O-N 3.38Å; K119-A122 VanDerWaalsContact O-N 3.09Å; A122-F124 VanDerWaalsContact C-N 3.33Å; A122-L126 VanDerWaalsContact O-CB 3.25Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.47Å; A122-I133 HydrophobicContact CB-CD1 4.45Å
123E91.8Very high86.6Confident43 Ų4356.2 Ų56.220%0.20130%0.299CS..Hα-helixtrans-63-42.1176.2-71.617216800111.7K119 E120 E121 A127 D130 I133K119-E123 WeakPolarHBondContact CE-OE1 3.44Å; K119-E123 HydrophobicContact CG-CG 4.5Å; K119-E123 IonicContact NZ-OE1 2.77Å; K119-E123 WeakPolarHBondContact O-CG 3.29Å; K119-E123 PolarHBondContact O-N 3.36Å; E120-E123 PolarHBondContact O-N 2.85Å; E121-E123 VanDerWaalsContact C-N 3.34Å; E121-E123 PolarHBondContact O-N 2.99Å; E123-A127 WeakPolarHBondContact O-CA 3.45Å; E123-A127 PolarHBondContact O-N 2.85Å; E123-D130 WeakPolarHBondContact OE1-CA 3.37Å; E123-I133 HydrophobicContact CG-CD1 3.82Å
124F91.1Very high86.6Confident173 Ų17359.8 Ų59.876%0.75931%0.313SS*.Hα-helixtrans-66.6-49.1177.9-178.8-106.2000112.3E120 E121 A122E120-F124 PolarHBondContact O-N 3.5Å; E121-F124 PolarHBondContact O-N 2.87Å; A122-F124 VanDerWaalsContact C-N 3.33Å
125V91.9Very high86.7Confident29 Ų2961.2 Ų61.218%0.17632%0.323CS..Hα-helixtrans-86.3-20.9-170.9-59.40000114.8I88 V92 E121I88-V125 HydrophobicContact CG2-CG2 4.49Å; V92-V125 HydrophobicContact CG2-CB 4.02Å; V92-V125 HydrophobicContact CG2-CG2 3.85Å; E121-V125 HydrophobicContact CG-CG1 4.32Å; E121-V125 WeakPolarHBondContact O-CG1 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 3.43Å; E121-V125 WeakPolarHBondContact OE1-CG1 3.4Å
126L89.9Confident86.8Confident6 Ų660.4 Ų60.43%0.03132%0.318CS..Hα-helixtrans-114.28.5-179-54.5173.9000113.2L65 I88 V92 R98 M101 E102 L105 A122 S128L65-L126 HydrophobicContact CD1-CD1 3.55Å; I88-L126 HydrophobicContact CD1-CD1 3.82Å; V92-L126 HydrophobicContact CG2-CD2 3.96Å; R98-L126 HydrophobicContact CG-CD2 3.76Å; M101-L126 HydrophobicContact CB-CD1 4.35Å; M101-L126 HydrophobicContact CB-CD2 4.12Å; M101-L126 HydrophobicContact CE-CD2 4.22Å; E102-L126 HydrophobicContact CG-CB 4.06Å; E102-L126 HydrophobicContact CG-CD2 4.02Å; L105-L126 HydrophobicContact CD1-CB 3.9Å; L105-L126 HydrophobicContact CD1-CD1 3.37Å; L105-L126 HydrophobicContact CD1-CG 4.25Å; L105-L126 HydrophobicContact CG-CD1 4.44Å; A122-L126 VanDerWaalsContact O-CB 3.25Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.47Å; L126-S128 PolarHBondContact O-N 3.24Å; L126-S128 VanDerWaalsContact O-N 3.1Å
127A79.3Confident87Confident90 Ų9057.1 Ų57.174%0.74430%0.304SS*.THydrogen-bonded Turntrans47.741.4177.400000113.9E123E123-A127 WeakPolarHBondContact O-CA 3.45Å; E123-A127 PolarHBondContact O-N 2.85Å
128S66.9Low87.2Confident18 Ų1852.3 Ų52.313%0.12628%0.284CS..  trans-91.4142.5-173-156.40000112.3L126 D130L126-S128 PolarHBondContact O-N 3.24Å; L126-S128 VanDerWaalsContact O-N 3.1Å; S128-D130 PolarHBondContact O-N 2.83Å
129P64.3Low87.4Confident73 Ų7351.8 Ų51.847%0.47428%0.281SS..  trans-66.6126172.4-14.527.8000111.7S131P129-S131 PolarHBondContact O-N 3.47Å
130D64.9Low87.4Confident99 Ų9951.2 Ų51.253%0.52928%0.279SS..G310 helixtrans-46.5-36-176.4179.62.3000114.4K119 E123 S128 K132 I133K119-D130 WeakPolarHBondContact CE-OD1 3.46Å; K119-D130 IonicContact NZ-OD1 3.7Å; K119-D130 PolarHBondContact NZ-OD1 2.88Å; E123-D130 WeakPolarHBondContact OE1-CA 3.37Å; S128-D130 PolarHBondContact O-N 2.83Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-I133 PolarHBondContact O-N 2.93Å
131S67.1Low87.4Confident99 Ų9952.6 Ų52.669%0.69229%0.286SS*.G310 helixtrans-65.4-5.1-168.963.80000117.1P129P129-S131 PolarHBondContact O-N 3.47Å
132K86.4Confident87.6Confident66 Ų6650 Ų5029%0.28728%0.276SS..G310 helixtrans-113.2-13.6-176.5-65.6-174.5-179.4-175.80115.4L106 A108 A111 D130 Y134L106-K132 PolarHBondContact O-NZ 3.13Å; L106-K132 VanDerWaalsContact O-NZ 3.11Å; A108-K132 PolarHBondContact O-NZ 3.2Å; A111-K132 PolarHBondContact N-O 2.62Å; D130-K132 PolarHBondContact O-N 2.77Å; K132-Y134 WeakPolarHBondContact O-CD2 3.35Å; K132-Y134 WeakPolarHBondContact O-CE2 3.05Å
133I94.7Very high87.7Confident7 Ų755.7 Ų55.74%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-96.3115.1-177.2-55.6170.3000109.3F83 A111 A113 K119 A122 E123 D130F83-I133 HydrophobicContact CE1-CG2 4.02Å; F83-I133 HydrophobicContact CZ-CG2 3.92Å; A111-I133 HydrophobicContact CB-CG1 4.16Å; A113-I133 HydrophobicContact CB-CG2 4.08Å; K119-I133 HydrophobicContact CB-CG2 3.95Å; K119-I133 HydrophobicContact CD-CB 4.25Å; K119-I133 HydrophobicContact CD-CG2 4.06Å; K119-I133 WeakPolarHBondContact CE-O 3.49Å; K119-I133 HydrophobicContact CG-CB 4.06Å; K119-I133 HydrophobicContact CG-CG2 3.66Å; A122-I133 HydrophobicContact CB-CD1 4.45Å; E123-I133 HydrophobicContact CG-CD1 3.82Å; D130-I133 PolarHBondContact O-N 2.93Å
134Y95.8Very high87.9Confident76 Ų7655.3 Ų55.330%0.29831%0.306SS..EExtended strand (participates in β ladder)trans-97.4143.1176.8-62-95.6000109.7F110 A111 V112 A113 K132 L338 K341F110-Y134 HydrophobicContact CB-CD2 4.01Å; F110-Y134 HydrophobicContact CB-CE2 3.8Å; A111-Y134 PolarHBondContact O-N 3.22Å; V112-Y134 CarbonylContact C-O 3.58Å; V112-Y134 VanDerWaalsContact CA-O 3.3Å; V112-Y134 WeakPolarHBondContact CA-O 3.25Å; A113-Y134 PolarHBondContact N-O 2.66Å; K132-Y134 WeakPolarHBondContact O-CD2 3.35Å; K132-Y134 WeakPolarHBondContact O-CE2 3.05Å; Y134-L338 HydrophobicContact CD1-CD2 4.04Å; Y134-L338 HydrophobicContact CD2-CD2 3.72Å; Y134-L338 HydrophobicContact CE1-CD2 4.13Å; Y134-L338 HydrophobicContact CE2-CD2 3.86Å; Y134-L338 HydrophobicContact CG-CD1 4.44Å; Y134-L338 HydrophobicContact CG-CD2 3.85Å; Y134-K341 VanDerWaalsContact CZ-NZ 3.31Å; Y134-K341 PolarHBondContact OH-NZ 3.26Å
135V95.8Very high88.1Confident47 Ų4748.1 Ų48.129%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-95.2120.3171.41790000108.9A113 E116 K119A113-V135 WeakPolarHBondContact O-CA 3.46Å; E116-V135 WeakPolarHBondContact OE2-CG2 3.49Å; K119-V135 HydrophobicContact CB-CG2 3.89Å; K119-V135 HydrophobicContact CD-CG2 3.78Å; K119-V135 HydrophobicContact CG-CG2 4.45Å
136Q96.6Very high88.1Confident4 Ų456 Ų562%0.01931%0.313CS..  trans-137.9103.4173.3177.753.163.100108.9V112 A113 E331 T334 Y335V112-Q136 HydrophobicContact CG1-CB 3.67Å; A113-Q136 PolarHBondContact O-N 3.19Å; Q136-E331 HydrophobicContact CG-CG 4.22Å; Q136-T334 HydrophobicContact CB-CG2 4.02Å; Q136-T334 HydrophobicContact CG-CG2 3.98Å; Q136-T334 PolarHBondContact OE1-OG1 2.76Å; Q136-Y335 HydrophobicContact CG-CE2 4.06Å
137P95.6Very high88.2Confident28 Ų2864.4 Ų64.418%0.18235%0.352CS..PPolyproline II helixtrans-56.1151.4171-2535.3000111.9F114 G139 M256F114-P137 WeakPolarHBondContact O-CA 3.38Å; P137-G139 PolarHBondContact O-N 3.47Å; P137-M256 HydrophobicContact CB-CE 4.11Å; P137-M256 HydrophobicContact CB-SD 4.49Å
138Q94.5Very high89Confident9 Ų961.7 Ų61.74%0.04232%0.324CS..PPolyproline II helixtrans-65.3132.8175.9-70174.586.600110.2T18 F114 M256 H326T18-Q138 PolarHBondContact OG1-OE1 3.45Å; T18-Q138 VanDerWaalsContact OG1-OE1 3.1Å; F114-Q138 HydrophobicContact CD1-CG 3.69Å; F114-Q138 HydrophobicContact CD2-CG 4.4Å; F114-Q138 HydrophobicContact CE1-CG 3.68Å; F114-Q138 HydrophobicContact CE2-CG 4.39Å; F114-Q138 HydrophobicContact CG-CG 4.07Å; F114-Q138 HydrophobicContact CZ-CG 4.04Å; Q138-M256 HydrophobicContact CB-SD 3.97Å; Q138-M256 HydrophobicContact CG-SD 4.09Å; Q138-M256 PolarHBondContact NE2-O 2.77Å; Q138-M256 VanDerWaalsContact NE2-O 3.13Å; Q138-H326 PolarHBondContact O-ND1 2.86Å
139G95.9Very high90.4Very high0 Ų064 Ų640%034%0.339CS..PPolyproline II helixtrans-70.9141.2169.200000110.8R21 P137 H326 E331R21-G139 PolarHBondContact NE-O 3Å; R21-G139 VanDerWaalsContact NE-O 3.11Å; R21-G139 PolarHBondContact NH1-O 2.9Å; R21-G139 VanDerWaalsContact NH1-O 3.16Å; R21-G139 PolarHBondContact NH2-O 2.95Å; P137-G139 PolarHBondContact O-N 3.47Å; G139-H326 CarbonylContact C-O 3.55Å; G139-H326 WeakPolarHBondContact CA-O 3.34Å; G139-E331 PolarHBondContact N-OE1 3.41Å
140I96.1Very high91.9Very high14 Ų1461.8 Ų61.87%0.07232%0.322CS..  trans-124.9130.9-176.9-60.3-73000109.2T142 L261 E262 D265 V322 H326I140-T142 HydrophobicContact CG2-CG2 4.32Å; I140-L261 HydrophobicContact CD1-CB 3.54Å; I140-L261 HydrophobicContact CD1-CD1 3.85Å; I140-L261 HydrophobicContact CD1-CG 4.35Å; I140-L261 HydrophobicContact CG1-CB 3.66Å; I140-L261 HydrophobicContact CG1-CD1 3.96Å; I140-L261 HydrophobicContact CG1-CG 4.37Å; I140-E262 HydrophobicContact CG2-CG 4.48Å; I140-D265 HydrophobicContact CG2-CB 3.82Å; I140-V322 HydrophobicContact CB-CG1 3.96Å; I140-V322 HydrophobicContact CG2-CG1 4.03Å; I140-H326 HydrophobicContact CB-CB 4.3Å; I140-H326 HydrophobicContact CG1-CB 3.94Å; I140-H326 PolarHBondContact N-O 3.44Å
141Q92.3Very high93.4Very high142 Ų14260.2 Ų60.266%0.66432%0.316SS*.  trans-144.5113.2173.1178.7174.48.700107.5V328Q141-V328 HydrophobicContact CB-CG2 3.82Å
142T96.1Very high94.7Very high28 Ų2861.7 Ų61.717%0.17231%0.312CS..  trans-99.5140174.363.70000110.9I140 E262 D265 L266I140-T142 HydrophobicContact CG2-CG2 4.32Å; T142-E262 HydrophobicContact CG2-CB 3.81Å; T142-E262 HydrophobicContact CG2-CG 3.93Å; T142-D265 WeakPolarHBondContact CB-OD2 3.3Å; T142-D265 HydrophobicContact CG2-CB 3.83Å; T142-D265 WeakPolarHBondContact CG2-OD2 3.26Å; T142-D265 PolarHBondContact N-OD2 2.87Å; T142-D265 VanDerWaalsContact N-OD2 3.09Å; T142-D265 PolarHBondContact OG1-OD2 3.01Å; T142-L266 HydrophobicContact CG2-CD1 4.2Å; T142-L266 HydrophobicContact CG2-CD2 4.42Å; T142-L266 HydrophobicContact CG2-CG 3.91Å; T142-L266 WeakPolarHBondContact OG1-CD2 3.46Å
143E95.7Very high95.2Very high119 Ų11958.7 Ų58.756%0.55630%0.299SS*.  trans-138.8117175.2-176.5-179.9-15200106.8Q235 H238E143-Q235 VanDerWaalsContact CD-NE2 3.31Å; E143-Q235 HydrophobicContact CG-CG 4.41Å; E143-Q235 VanDerWaalsContact O-CA 3.31Å; E143-Q235 WeakPolarHBondContact O-CA 3.36Å; E143-Q235 PolarHBondContact OE2-NE2 3.49Å; E143-H238 PolarHBondContact N-ND1 3.05Å; E143-H238 VanDerWaalsContact N-ND1 3.2Å; E143-H238 WeakPolarHBondContact O-CB 3.47Å; E143-H238 PolarHBondContact O-ND1 2.73Å
144A95.9Very high95.4Very high34 Ų3458.4 Ų58.428%0.28130%0.297SS..  trans-93137.2179.200000109.7E146 H238 A239A144-E146 PolarHBondContact O-N 2.85Å; A144-H238 HydrophobicContact CB-CB 4.29Å; A144-A239 HydrophobicContact CB-CB 4.12Å
145A95.3Very high95.4Very high22 Ų2260 Ų6018%0.18230%0.302CS..  trans-56.5132.617600000110.9Q147 F148 Q235 E236 A239A145-Q147 VanDerWaalsContact C-N 3.33Å; A145-F148 HydrophobicContact CB-CB 4.44Å; A145-Q235 HydrophobicContact CB-CB 3.98Å; A145-Q235 PolarHBondContact N-O 2.9Å; A145-E236 HydrophobicContact CB-CG 4.28Å; A145-A239 HydrophobicContact CB-CB 4.44Å
146E91.3Very high95.4Very high195 Ų19559.7 Ų59.791%0.91130%0.302SS*.SBendtrans-65-40.5176.9-64.5-173.7169.100111.5A144A144-E146 PolarHBondContact O-N 2.85Å
147Q92.6Very high95.3Very high182 Ų18259.9 Ų59.985%0.8530%0.304SS*.SBendtrans-102.494177.5-62.8-178.45.900109.1A145A145-Q147 VanDerWaalsContact C-N 3.33Å
148F96Very high95.3Very high33 Ų3360.2 Ų60.215%0.14531%0.313CS..  trans-134.5117.8175.8175.4-105.6000110.9A145 W150 F153 E236 A239 A240 R243A145-F148 HydrophobicContact CB-CB 4.44Å; F148-W150 HydrophobicContact CE1-CB 4.31Å; F148-W150 HydrophobicContact CE1-CD2 4.5Å; F148-W150 AromaticContact CE1-CE3 3.6Å; F148-W150 HydrophobicContact CE1-CE3 3.6Å; F148-W150 HydrophobicContact CE1-CZ3 4.31Å; F148-W150 AromaticContact CZ-CE3 3.85Å; F148-W150 HydrophobicContact CZ-CE3 3.85Å; F148-W150 HydrophobicContact CZ-CZ3 4.34Å; F148-W150 PolarHBondContact O-N 3.43Å; F148-F153 HydrophobicContact CE2-CB 4.01Å; F148-F153 HydrophobicContact CE2-CD2 4.25Å; F148-F153 HydrophobicContact CE2-CG 4.26Å; F148-F153 HydrophobicContact CZ-CB 3.67Å; F148-F153 HydrophobicContact CZ-CD1 4.34Å; F148-F153 HydrophobicContact CZ-CD2 4.12Å; F148-F153 AromaticContact CZ-CG 3.78Å; F148-F153 HydrophobicContact CZ-CG 3.78Å; F148-E236 HydrophobicContact CD2-CB 4.23Å; F148-E236 HydrophobicContact CD2-CG 4.3Å; F148-E236 HydrophobicContact CE2-CB 4.43Å; F148-A239 HydrophobicContact CB-CB 3.65Å; F148-A239 HydrophobicContact CD1-CB 3.62Å; F148-A239 HydrophobicContact CD2-CB 3.97Å; F148-A239 HydrophobicContact CE1-CB 4.21Å; F148-A239 HydrophobicContact CG-CB 3.47Å; F148-A239 VanDerWaalsContact CG-CB 3.47Å; F148-A240 HydrophobicContact CE1-CB 4.28Å; F148-A240 HydrophobicContact CE2-CB 4.29Å; F148-A240 HydrophobicContact CZ-CB 3.64Å; F148-R243 HydrophobicContact CE1-CG 4.34Å
149C96Very high95.3Very high66 Ų6660 Ų6045%0.44631%0.312SS..  trans-90.8101.4178.2-174.40000110.7T151 E152 F153C149-T151 VanDerWaalsContact C-N 3.33Å; C149-T151 PolarHBondContact O-N 3.28Å; C149-E152 HydrophobicContact CB-CB 3.78Å; C149-E152 PolarHBondContact O-N 2.81Å; C149-E152 VanDerWaalsContact SG-CB 3.55Å; C149-E152 PolarHBondContact SG-N 2.88Å; C149-E152 VanDerWaalsContact SG-N 3.43Å; C149-F153 PolarHBondContact O-N 3.32Å
150W95.6Very high95Very high28 Ų2870.5 Ų70.511%0.10635%0.352CS..Hα-helixtrans-60.2-42.8179.1-177.9-125000112.7F148 E152 F153 L154 V169 A240 R243 C244F148-W150 HydrophobicContact CE1-CB 4.31Å; F148-W150 HydrophobicContact CE1-CD2 4.5Å; F148-W150 AromaticContact CE1-CE3 3.6Å; F148-W150 HydrophobicContact CE1-CE3 3.6Å; F148-W150 HydrophobicContact CE1-CZ3 4.31Å; F148-W150 AromaticContact CZ-CE3 3.85Å; F148-W150 HydrophobicContact CZ-CE3 3.85Å; F148-W150 HydrophobicContact CZ-CZ3 4.34Å; F148-W150 PolarHBondContact O-N 3.43Å; W150-E152 PolarHBondContact O-N 2.91Å; W150-F153 HydrophobicContact CE3-CB 4.34Å; W150-F153 AromaticContact CE3-CD1 3.53Å; W150-F153 HydrophobicContact CE3-CD1 3.53Å; W150-F153 HydrophobicContact CE3-CE1 4.22Å; W150-F153 HydrophobicContact CE3-CG 4.21Å; W150-F153 HydrophobicContact CH2-CD1 4.1Å; W150-F153 HydrophobicContact CH2-CE1 4.04Å; W150-F153 AromaticContact CZ3-CD1 3.28Å; W150-F153 HydrophobicContact CZ3-CD1 3.28Å; W150-F153 AromaticContact CZ3-CE1 3.49Å; W150-F153 HydrophobicContact CZ3-CE1 3.49Å; W150-F153 VanDerWaalsContact CZ3-CE1 3.49Å; W150-F153 HydrophobicContact CZ3-CG 4.24Å; W150-F153 WeakPolarHBondContact O-CB 3.23Å; W150-F153 PolarHBondContact O-N 2.79Å; W150-L154 HydrophobicContact CD2-CD1 4.26Å; W150-L154 HydrophobicContact CD2-CG 4.17Å; W150-L154 HydrophobicContact CG-CD1 4.39Å; W150-L154 HydrophobicContact CH2-CD2 4.13Å; W150-L154 HydrophobicContact CZ2-CD1 4.3Å; W150-L154 HydrophobicContact CZ2-CD2 3.88Å; W150-L154 HydrophobicContact CZ2-CG 4.3Å; W150-L154 WeakPolarHBondContact O-CG 3.47Å; W150-L154 PolarHBondContact O-N 3.09Å; W150-V169 HydrophobicContact CH2-CB 4.13Å; W150-V169 HydrophobicContact CH2-CG1 4.07Å; W150-V169 HydrophobicContact CH2-CG2 4.06Å; W150-V169 HydrophobicContact CZ2-CB 4.02Å; W150-V169 HydrophobicContact CZ2-CG1 4.43Å; W150-V169 HydrophobicContact CZ2-CG2 3.6Å; W150-A240 HydrophobicContact CZ3-CB 4.15Å; W150-R243 HydrophobicContact CD2-CB 3.86Å; W150-R243 HydrophobicContact CD2-CG 4.41Å; W150-R243 HydrophobicContact CE3-CB 3.82Å; W150-R243 HydrophobicContact CE3-CG 4.4Å; W150-R243 HydrophobicContact CG-CB 4.46Å; W150-R243 HydrophobicContact CH2-CB 4.08Å; W150-R243 HydrophobicContact CZ2-CB 4.16Å; W150-R243 HydrophobicContact CZ3-CB 3.92Å; W150-C244 HydrophobicContact CH2-CB 4.39Å
151T95.6Very high94.6Very high66 Ų6672.7 Ų72.741%0.40537%0.366SS..Hα-helixtrans-58.6-46.2177.1-62.30000111.8C149 L154 R155 L164C149-T151 VanDerWaalsContact C-N 3.33Å; C149-T151 PolarHBondContact O-N 3.28Å; T151-L154 PolarHBondContact O-N 2.68Å; T151-R155 HydrophobicContact CG2-CG 4.33Å; T151-R155 WeakPolarHBondContact O-CB 3.44Å; T151-R155 WeakPolarHBondContact O-CG 3.46Å; T151-R155 PolarHBondContact O-N 3.39Å; T151-L164 HydrophobicContact CG2-CD1 3.64Å
152E95.7Very high94.2Very high130 Ų13074.4 Ų74.461%0.60737%0.374SS*.Hα-helixtrans-64.9-41.5177.3-176.1-176.6178.100111.6C149 W150 L154 R155 S156C149-E152 HydrophobicContact CB-CB 3.78Å; C149-E152 PolarHBondContact O-N 2.81Å; C149-E152 VanDerWaalsContact SG-CB 3.55Å; C149-E152 PolarHBondContact SG-N 2.88Å; C149-E152 VanDerWaalsContact SG-N 3.43Å; W150-E152 PolarHBondContact O-N 2.91Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.18Å; E152-R155 PolarHBondContact O-N 3.07Å; E152-S156 VanDerWaalsContact O-CB 3.25Å; E152-S156 WeakPolarHBondContact O-CB 3.41Å; E152-S156 PolarHBondContact O-N 3.24Å; E152-S156 PolarHBondContact O-OG 3.48Å
153F97.1Very high93.7Very high3 Ų375.8 Ų75.81%0.01338%0.384CS..Hα-helixtrans-56.4-47.7174.6171.9-96.2000111.8F148 C149 W150 S156 S157 L171 I202 I204 A229 R232 A240F148-F153 HydrophobicContact CE2-CB 4.01Å; F148-F153 HydrophobicContact CE2-CD2 4.25Å; F148-F153 HydrophobicContact CE2-CG 4.26Å; F148-F153 HydrophobicContact CZ-CB 3.67Å; F148-F153 HydrophobicContact CZ-CD1 4.34Å; F148-F153 HydrophobicContact CZ-CD2 4.12Å; F148-F153 AromaticContact CZ-CG 3.78Å; F148-F153 HydrophobicContact CZ-CG 3.78Å; C149-F153 PolarHBondContact O-N 3.32Å; W150-F153 HydrophobicContact CE3-CB 4.34Å; W150-F153 AromaticContact CE3-CD1 3.53Å; W150-F153 HydrophobicContact CE3-CD1 3.53Å; W150-F153 HydrophobicContact CE3-CE1 4.22Å; W150-F153 HydrophobicContact CE3-CG 4.21Å; W150-F153 HydrophobicContact CH2-CD1 4.1Å; W150-F153 HydrophobicContact CH2-CE1 4.04Å; W150-F153 AromaticContact CZ3-CD1 3.28Å; W150-F153 HydrophobicContact CZ3-CD1 3.28Å; W150-F153 AromaticContact CZ3-CE1 3.49Å; W150-F153 HydrophobicContact CZ3-CE1 3.49Å; W150-F153 VanDerWaalsContact CZ3-CE1 3.49Å; W150-F153 HydrophobicContact CZ3-CG 4.24Å; W150-F153 WeakPolarHBondContact O-CB 3.23Å; W150-F153 PolarHBondContact O-N 2.79Å; F153-S156 PolarHBondContact O-OG 3.49Å; F153-S156 VanDerWaalsContact O-OG 3.05Å; F153-S157 WeakPolarHBondContact O-CB 3.42Å; F153-S157 PolarHBondContact O-N 2.95Å; F153-S157 VanDerWaalsContact O-N 3.11Å; F153-S157 PolarHBondContact O-OG 3.13Å; F153-L171 HydrophobicContact CZ-CD1 4.2Å; F153-I202 HydrophobicContact CE1-CD1 4.07Å; F153-I202 HydrophobicContact CE1-CG2 4.5Å; F153-I202 HydrophobicContact CZ-CG2 4.22Å; F153-I204 HydrophobicContact CE2-CD1 3.94Å; F153-I204 HydrophobicContact CZ-CD1 4.38Å; F153-A229 HydrophobicContact CE2-CB 4.08Å; F153-A229 HydrophobicContact CZ-CB 4.11Å; F153-R232 HydrophobicContact CD2-CG 4.5Å; F153-R232 HydrophobicContact CE2-CG 4.44Å; F153-A240 HydrophobicContact CD2-CB 4.45Å; F153-A240 HydrophobicContact CE1-CB 4.27Å; F153-A240 HydrophobicContact CE2-CB 4.11Å; F153-A240 HydrophobicContact CZ-CB 4.02Å
154L97.2Very high93.3Very high0 Ų070.7 Ų70.70%036%0.36CS..Hα-helixtrans-65.5-47.4178.3-65.6177.7000112W150 T151 E152 S156 S157 G158 V159 L164 L167 V169 I202W150-L154 HydrophobicContact CD2-CD1 4.26Å; W150-L154 HydrophobicContact CD2-CG 4.17Å; W150-L154 HydrophobicContact CG-CD1 4.39Å; W150-L154 HydrophobicContact CH2-CD2 4.13Å; W150-L154 HydrophobicContact CZ2-CD1 4.3Å; W150-L154 HydrophobicContact CZ2-CD2 3.88Å; W150-L154 HydrophobicContact CZ2-CG 4.3Å; W150-L154 WeakPolarHBondContact O-CG 3.47Å; W150-L154 PolarHBondContact O-N 3.09Å; T151-L154 PolarHBondContact O-N 2.68Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.18Å; L154-S156 PolarHBondContact O-N 2.91Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 2.9Å; L154-S157 VanDerWaalsContact O-N 3.15Å; L154-G158 PolarHBondContact O-N 3.49Å; L154-V159 HydrophobicContact CB-CB 4.15Å; L154-V159 HydrophobicContact CB-CG2 4.31Å; L154-V159 HydrophobicContact CD2-CG2 4.44Å; L154-V159 VanDerWaalsContact O-CB 3.3Å; L154-V159 WeakPolarHBondContact O-CB 3.34Å; L154-V159 WeakPolarHBondContact O-CG2 3.46Å; L154-V159 PolarHBondContact O-N 3.18Å; L154-V159 VanDerWaalsContact O-N 3.07Å; L154-L164 HydrophobicContact CB-CD2 4.24Å; L154-L164 HydrophobicContact CD1-CB 4.15Å; L154-L164 HydrophobicContact CD1-CD2 3.99Å; L154-L167 HydrophobicContact CD1-CD1 4.22Å; L154-V169 HydrophobicContact CD2-CG2 3.89Å; L154-I202 HydrophobicContact CD2-CD1 3.56Å
155R95.9Very high92.9Very high109 Ų10976.2 Ų76.241%0.41139%0.385SS..Hα-helixtrans-61.8-44.1-179.9-68.2-72.9-176-167.9-5.8111.7T151 E152 S157 G158 V159 R160 T161 L164T151-R155 HydrophobicContact CG2-CG 4.33Å; T151-R155 WeakPolarHBondContact O-CB 3.44Å; T151-R155 WeakPolarHBondContact O-CG 3.46Å; T151-R155 PolarHBondContact O-N 3.39Å; E152-R155 PolarHBondContact O-N 3.07Å; R155-S157 PolarHBondContact O-N 2.93Å; R155-G158 PolarHBondContact O-N 3.2Å; R155-V159 WeakPolarHBondContact CD-O 3.43Å; R155-R160 PolarHBondContact NH1-O 3.26Å; R155-T161 VanDerWaalsContact CZ-O 3.31Å; R155-T161 PolarHBondContact NH1-O 3.13Å; R155-T161 PolarHBondContact NH2-O 3.44Å; R155-L164 HydrophobicContact CG-CD1 4.46Å
156S95.9Very high92.7Very high41 Ų4180.5 Ų80.529%0.28740%0.401SS..Hα-helixtrans-69.3-20.6177.660.80000113.6E152 F153 L154 G158 R232E152-S156 VanDerWaalsContact O-CB 3.25Å; E152-S156 WeakPolarHBondContact O-CB 3.41Å; E152-S156 PolarHBondContact O-N 3.24Å; E152-S156 PolarHBondContact O-OG 3.48Å; F153-S156 PolarHBondContact O-OG 3.49Å; F153-S156 VanDerWaalsContact O-OG 3.05Å; L154-S156 PolarHBondContact O-N 2.91Å; S156-G158 VanDerWaalsContact C-N 3.28Å; S156-R232 PolarHBondContact OG-NH2 3.31Å
157S95.7Very high93Very high8 Ų872.2 Ų72.26%0.05636%0.363CS..THydrogen-bonded Turntrans-80.8-7170.7-55.40000113.1F153 L154 R155 A229F153-S157 WeakPolarHBondContact O-CB 3.42Å; F153-S157 PolarHBondContact O-N 2.95Å; F153-S157 VanDerWaalsContact O-N 3.11Å; F153-S157 PolarHBondContact O-OG 3.13Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 2.9Å; L154-S157 VanDerWaalsContact O-N 3.15Å; R155-S157 PolarHBondContact O-N 2.93Å; S157-A229 VanDerWaalsContact OG-CB 3.25Å; S157-A229 WeakPolarHBondContact OG-CB 3.38Å
158G94.4Very high93.2Very high35 Ų3567.5 Ų67.536%0.36134%0.338SS..THydrogen-bonded Turntrans99.94.9178.600000114.9L154 R155 S156 R160 F227L154-G158 PolarHBondContact O-N 3.49Å; R155-G158 PolarHBondContact O-N 3.2Å; S156-G158 VanDerWaalsContact C-N 3.28Å; G158-R160 PolarHBondContact O-N 2.92Å; G158-F227 WeakPolarHBondContact O-CE1 3.49Å
159V94.8Very high93.3Very high4 Ų466 Ų662%0.02433%0.331CS..  trans-71.6124.6176.4-176.90000109.7L154 R155 T161 L164 L167 I202 F227L154-V159 HydrophobicContact CB-CB 4.15Å; L154-V159 HydrophobicContact CB-CG2 4.31Å; L154-V159 HydrophobicContact CD2-CG2 4.44Å; L154-V159 VanDerWaalsContact O-CB 3.3Å; L154-V159 WeakPolarHBondContact O-CB 3.34Å; L154-V159 WeakPolarHBondContact O-CG2 3.46Å; L154-V159 PolarHBondContact O-N 3.18Å; L154-V159 VanDerWaalsContact O-N 3.07Å; R155-V159 WeakPolarHBondContact CD-O 3.43Å; V159-T161 HydrophobicContact CG1-CG2 3.98Å; V159-L164 HydrophobicContact CG1-CD2 3.73Å; V159-L167 HydrophobicContact CG1-CD1 3.6Å; V159-I202 HydrophobicContact CG2-CD1 4.41Å; V159-F227 HydrophobicContact CG2-CD1 4.1Å; V159-F227 HydrophobicContact CG2-CD2 3.89Å; V159-F227 HydrophobicContact CG2-CE1 4.13Å; V159-F227 HydrophobicContact CG2-CE2 3.92Å; V159-F227 HydrophobicContact CG2-CG 3.98Å; V159-F227 HydrophobicContact CG2-CZ 4.05Å
160R89.8Confident93.5Very high221 Ų22162.9 Ų62.983%0.83431%0.31SS*.  trans-112.5-6.8-173.1-63.9-170.3-176.2-148.3-0.1116.3R155 G158R155-R160 PolarHBondContact NH1-O 3.26Å; G158-R160 PolarHBondContact O-N 2.92Å
161T87.3Confident93.6Very high60 Ų6061.5 Ų61.537%0.36831%0.305SS..  trans-62.3154.5-179.7-171.90000113.1R155 V159 C163 L164 L167R155-T161 VanDerWaalsContact CZ-O 3.31Å; R155-T161 PolarHBondContact NH1-O 3.13Å; R155-T161 PolarHBondContact NH2-O 3.44Å; V159-T161 HydrophobicContact CG1-CG2 3.98Å; T161-C163 PolarHBondContact OG1-N 3.13Å; T161-L164 HydrophobicContact CG2-CD2 3.78Å; T161-L167 HydrophobicContact CG2-CD1 3.89Å; T161-L167 HydrophobicContact CG2-CD2 4.06Å; T161-L167 HydrophobicContact CG2-CG 4.19Å
162E83.3Confident93.8Very high179 Ų17958.6 Ų58.684%0.83629%0.287SS*.SBendtrans-82.9-31.9174.3-63.3-169.1163.200111.9L164E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.06Å
163C86.8Confident93.9Very high57 Ų5753.4 Ų53.439%0.38526%0.264SS..  trans-8458.8179.2-58.20000112.5T161 D165 E166T161-C163 PolarHBondContact OG1-N 3.13Å; C163-D165 VanDerWaalsContact C-N 3.29Å; C163-D165 PolarHBondContact O-N 3.41Å; C163-E166 HydrophobicContact CB-CB 4.31Å; C163-E166 HydrophobicContact CB-CG 4.3Å; C163-E166 PolarHBondContact O-N 2.79Å
164L87.6Confident93.8Very high11 Ų1153.8 Ų53.86%0.05827%0.267CS..G310 helixtrans-64.6-31.3-176.8-66.2174.8000113.5T151 L154 R155 V159 T161 E162 E166 L167T151-L164 HydrophobicContact CG2-CD1 3.64Å; L154-L164 HydrophobicContact CB-CD2 4.24Å; L154-L164 HydrophobicContact CD1-CB 4.15Å; L154-L164 HydrophobicContact CD1-CD2 3.99Å; R155-L164 HydrophobicContact CG-CD1 4.46Å; V159-L164 HydrophobicContact CG1-CD2 3.73Å; T161-L164 HydrophobicContact CG2-CD2 3.78Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.06Å; L164-E166 VanDerWaalsContact C-N 3.25Å; L164-E166 PolarHBondContact O-N 3.31Å; L164-L167 HydrophobicContact CD2-CD1 3.98Å; L164-L167 WeakPolarHBondContact O-CB 3.4Å; L164-L167 PolarHBondContact O-N 2.97Å
165D87.2Confident93.7Very high150 Ų15054.2 Ų54.280%0.80227%0.272SS*.G310 helixtrans-74.2-16.2-179-65.4-37.2000113.2C163C163-D165 VanDerWaalsContact C-N 3.29Å; C163-D165 PolarHBondContact O-N 3.41Å
166E92.1Very high93.7Very high112 Ų11249.1 Ų49.152%0.52325%0.252SS..G310 helixtrans-89.2-7.2177.2-62.6-178.6-140.800112.4C163 L164 H198C163-E166 HydrophobicContact CB-CB 4.31Å; C163-E166 HydrophobicContact CB-CG 4.3Å; C163-E166 PolarHBondContact O-N 2.79Å; L164-E166 VanDerWaalsContact C-N 3.25Å; L164-E166 PolarHBondContact O-N 3.31Å; E166-H198 WeakPolarHBondContact CB-CD2 3.43Å; E166-H198 PolarHBondContact O-CD2 3.2Å; E166-H198 IonicContact OE2-CD2 3.25Å; E166-H198 IonicContact OE2-CE1 2.64Å; E166-H198 IonicContact OE2-NE2 3.13Å; E166-H198 PolarHBondContact OE2-NE2 2.85Å; E166-H198 VanDerWaalsContact OE2-NE2 3.14Å
167L96.2Very high93.6Very high21 Ų2150.4 Ų50.411%0.1125%0.251CS..  trans-70.4132.6-177.7-66.4-176.4000112.4L154 V159 T161 L164 V169 H198 V200L154-L167 HydrophobicContact CD1-CD1 4.22Å; V159-L167 HydrophobicContact CG1-CD1 3.6Å; T161-L167 HydrophobicContact CG2-CD1 3.89Å; T161-L167 HydrophobicContact CG2-CD2 4.06Å; T161-L167 HydrophobicContact CG2-CG 4.19Å; L164-L167 HydrophobicContact CD2-CD1 3.98Å; L164-L167 WeakPolarHBondContact O-CB 3.4Å; L164-L167 PolarHBondContact O-N 2.97Å; L167-V169 HydrophobicContact CB-CG2 4.24Å; L167-H198 CarbonylContact C-O 3.52Å; L167-H198 WeakPolarHBondContact CA-O 3.44Å; L167-V200 HydrophobicContact CD2-CG1 4.33Å
168R97.3Very high93.6Very high84 Ų8456.3 Ų56.332%0.31727%0.272SS..EExtended strand (participates in β ladder)trans-96.995.7166.6-64.5144.9-173.5149.97.9107.8F170 N196 H198 N199 V200 F245 L305R168-F170 HydrophobicContact CB-CE2 4.21Å; R168-F170 WeakPolarHBondContact O-CD2 3.32Å; R168-N196 PolarHBondContact NH1-ND2 2.82Å; R168-H198 PolarHBondContact N-O 3.24Å; R168-N199 WeakPolarHBondContact CD-OD1 3.33Å; R168-V200 PolarHBondContact O-N 2.96Å; R168-V200 VanDerWaalsContact O-N 3.13Å; R168-F245 HydrophobicContact CB-CB 4.11Å; R168-F245 HydrophobicContact CB-CG 4.17Å; R168-F245 HydrophobicContact CG-CD2 4.31Å; R168-F245 HydrophobicContact CG-CG 4.45Å; R168-L305 HydrophobicContact CG-CD2 4.08Å
169V98.6Very high93.6Very high1 Ų156.4 Ų56.41%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-83.7118.9180178.10000110.1W150 L154 L167 V200 I202 C244 F245 A246W150-V169 HydrophobicContact CH2-CB 4.13Å; W150-V169 HydrophobicContact CH2-CG1 4.07Å; W150-V169 HydrophobicContact CH2-CG2 4.06Å; W150-V169 HydrophobicContact CZ2-CB 4.02Å; W150-V169 HydrophobicContact CZ2-CG1 4.43Å; W150-V169 HydrophobicContact CZ2-CG2 3.6Å; L154-V169 HydrophobicContact CD2-CG2 3.89Å; L167-V169 HydrophobicContact CB-CG2 4.24Å; V169-V200 HydrophobicContact CB-CG2 4.33Å; V169-V200 HydrophobicContact CG2-CG2 3.77Å; V169-I202 HydrophobicContact CG1-CB 4.24Å; V169-I202 HydrophobicContact CG1-CD1 3.69Å; V169-I202 HydrophobicContact CG1-CG1 3.89Å; V169-I202 HydrophobicContact CG2-CD1 4.35Å; V169-C244 HydrophobicContact CB-CB 4.15Å; V169-C244 HydrophobicContact CG1-CB 4.07Å; V169-C244 WeakPolarHBondContact O-CB 3.24Å; V169-F245 WeakPolarHBondContact O-CB 3.33Å; V169-F245 PolarHBondContact O-N 3.25Å; V169-A246 PolarHBondContact O-N 2.99Å
170F98.8Very high93.6Very high0 Ų057.3 Ų57.30%027%0.269CS..EExtended strand (participates in β ladder)trans-93.9116.6165.8-67-100000107.6R168 F189 W192 V200 L201 I202 F245 A246 V248 L271 F297R168-F170 HydrophobicContact CB-CE2 4.21Å; R168-F170 WeakPolarHBondContact O-CD2 3.32Å; F170-F189 HydrophobicContact CB-CE1 3.93Å; F170-F189 HydrophobicContact CB-CE2 4.43Å; F170-F189 HydrophobicContact CB-CZ 3.45Å; F170-F189 VanDerWaalsContact CB-CZ 3.45Å; F170-F189 HydrophobicContact CD1-CZ 4.03Å; F170-F189 AromaticContact CD2-CE1 3.59Å; F170-F189 HydrophobicContact CD2-CE1 3.59Å; F170-F189 AromaticContact CD2-CZ 3.74Å; F170-F189 HydrophobicContact CD2-CZ 3.74Å; F170-F189 HydrophobicContact CE2-CE1 4.31Å; F170-F189 AromaticContact CG-CE1 3.83Å; F170-F189 HydrophobicContact CG-CE1 3.83Å; F170-F189 AromaticContact CG-CZ 3.47Å; F170-F189 HydrophobicContact CG-CZ 3.47Å; F170-F189 VanDerWaalsContact CG-CZ 3.47Å; F170-W192 HydrophobicContact CD2-CZ3 4.12Å; F170-W192 HydrophobicContact CE1-CH2 4.42Å; F170-W192 HydrophobicContact CE1-CZ3 4.29Å; F170-W192 AromaticContact CE2-CH2 3.57Å; F170-W192 HydrophobicContact CE2-CH2 3.57Å; F170-W192 AromaticContact CE2-CZ3 3.43Å; F170-W192 HydrophobicContact CE2-CZ3 3.43Å; F170-W192 VanDerWaalsContact CE2-CZ3 3.43Å; F170-W192 AromaticContact CZ-CH2 3.44Å; F170-W192 HydrophobicContact CZ-CH2 3.44Å; F170-W192 VanDerWaalsContact CZ-CH2 3.44Å; F170-W192 AromaticContact CZ-CZ3 3.55Å; F170-W192 HydrophobicContact CZ-CZ3 3.55Å; F170-V200 PolarHBondContact N-O 2.86Å; F170-L201 HydrophobicContact CB-CD1 4.32Å; F170-L201 WeakPolarHBondContact O-CA 3.4Å; F170-L201 WeakPolarHBondContact O-CD1 3.47Å; F170-I202 PolarHBondContact O-N 3.35Å; F170-F245 HydrophobicContact CD1-CD1 4.45Å; F170-F245 AromaticContact CE1-CD1 3.71Å; F170-F245 HydrophobicContact CE1-CD1 3.71Å; F170-F245 HydrophobicContact CE1-CE1 4Å; F170-F245 AromaticContact CE2-CD1 3.96Å; F170-F245 HydrophobicContact CE2-CD1 3.96Å; F170-F245 AromaticContact CZ-CD1 3.4Å; F170-F245 HydrophobicContact CZ-CD1 3.4Å; F170-F245 AromaticContact CZ-CE1 3.66Å; F170-F245 HydrophobicContact CZ-CE1 3.66Å; F170-A246 WeakPolarHBondContact CA-O 3.48Å; F170-A246 HydrophobicContact CD1-CB 3.97Å; F170-A246 HydrophobicContact CE1-CB 4.1Å; F170-V248 HydrophobicContact CB-CG2 3.91Å; F170-V248 HydrophobicContact CD1-CG2 4.14Å; F170-L271 HydrophobicContact CD1-CD1 3.97Å; F170-L271 HydrophobicContact CE1-CD1 3.7Å; F170-F297 AromaticContact CD1-CZ 3.9Å; F170-F297 HydrophobicContact CD1-CZ 3.9Å; F170-F297 HydrophobicContact CE1-CZ 4.3Å
171L98.9Very high94Very high0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-103.8111.5-173.1-168.768.6000110.2F153 V173 I202 I204 A240 M241 C244 A246 V247 V248F153-L171 HydrophobicContact CZ-CD1 4.2Å; L171-V173 HydrophobicContact CD2-CG2 3.98Å; L171-V173 HydrophobicContact CG-CG2 3.96Å; L171-I202 WeakPolarHBondContact CA-O 3.18Å; L171-I202 HydrophobicContact CD1-CB 3.91Å; L171-I202 HydrophobicContact CD1-CG2 3.9Å; L171-I204 HydrophobicContact CD1-CB 4.48Å; L171-I204 HydrophobicContact CD1-CG2 3.73Å; L171-I204 HydrophobicContact CD2-CG2 4.39Å; L171-I204 HydrophobicContact CG-CG2 4Å; L171-A240 HydrophobicContact CD2-CB 4.3Å; L171-M241 HydrophobicContact CD2-CB 4.4Å; L171-M241 HydrophobicContact CD2-CG 3.71Å; L171-C244 HydrophobicContact CB-CB 3.97Å; L171-A246 PolarHBondContact N-O 3.42Å; L171-V247 WeakPolarHBondContact O-CA 3.49Å; L171-V248 PolarHBondContact O-N 3.49Å
172L98.8Very high94.5Very high4 Ų446.1 Ų46.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-91.6104.5173.5178.163.5000109.4P182 L201 I202 I203 I204 V248L172-P182 HydrophobicContact CD2-CB 4.19Å; L172-P182 WeakPolarHBondContact CD2-O 3.37Å; L172-L201 HydrophobicContact CB-CD1 3.96Å; L172-I202 PolarHBondContact N-O 3.31Å; L172-I203 HydrophobicContact CB-CG1 4.4Å; L172-I203 HydrophobicContact CD2-CD1 4.47Å; L172-I203 HydrophobicContact CD2-CG1 4.01Å; L172-I203 HydrophobicContact CD2-CG2 4.34Å; L172-I204 PolarHBondContact O-N 3.01Å; L172-V248 HydrophobicContact CB-CB 4.44Å; L172-V248 HydrophobicContact CD1-CB 4.29Å; L172-V248 HydrophobicContact CD1-CG1 4.26Å; L172-V248 VanDerWaalsContact CD1-O 3.25Å; L172-V248 WeakPolarHBondContact CD1-O 3.42Å
173V98Very high95.2Very high21 Ų2139 Ų3913%0.12719%0.191CC..EExtended strand (participates in β ladder)trans-95102.9-179.4-176.70000109.5L171 I204 L237 M241 A259L171-V173 HydrophobicContact CD2-CG2 3.98Å; L171-V173 HydrophobicContact CG-CG2 3.96Å; V173-I204 WeakPolarHBondContact CA-O 3.47Å; V173-I204 HydrophobicContact CB-CG2 4.4Å; V173-I204 HydrophobicContact CG2-CG2 3.92Å; V173-L237 HydrophobicContact CG1-CD1 4.12Å; V173-L237 HydrophobicContact CG1-CD2 3.88Å; V173-L237 HydrophobicContact CG2-CD1 4.02Å; V173-M241 HydrophobicContact CG2-CG 4.22Å; V173-M241 HydrophobicContact CG2-SD 4.33Å; V173-A259 HydrophobicContact CB-CB 3.92Å; V173-A259 HydrophobicContact CG1-CB 4Å
174C96.3Very high95.8Very high11 Ų1138.6 Ų38.67%0.07418%0.182CC..  trans-157.6142.317866.40000113.2K180 I204 G205C174-K180 HydrophobicContact CB-CB 3.86Å; C174-K180 HydrophobicContact CB-CD 4.38Å; C174-K180 HydrophobicContact CB-CG 4.01Å; C174-I204 PolarHBondContact N-O 3.21Å; C174-G205 WeakPolarHBondContact O-CA 3.33Å
175G94.9Very high96.3Very high10 Ų1038.2 Ų38.210%0.10318%0.18CC..  trans-65.3133.9162.400000110.3R177 K180 P206G175-R177 PolarHBondContact O-N 3.29Å; G175-K180 WeakPolarHBondContact O-CG 3.4Å; G175-P206 CarbonylContact C-O 3.52Å; G175-P206 WeakPolarHBondContact CA-O 3.43Å
176L95.7Very high96.8Very high1 Ų131.1 Ų31.11%0.00514%0.142CC..SBendtrans-67.591.8-174.8-55.6-172.9000110.1P182 I203 P206 K207 D209 T213 L228L176-P182 HydrophobicContact CD2-CB 4.37Å; L176-P182 HydrophobicContact CD2-CG 4.46Å; L176-I203 HydrophobicContact CD2-CG2 4.01Å; L176-P206 PolarHBondContact N-O 3.08Å; L176-K207 HydrophobicContact CD1-CG 4.22Å; L176-D209 WeakPolarHBondContact O-CB 3.47Å; L176-D209 PolarHBondContact O-N 3.16Å; L176-T213 HydrophobicContact CD1-CG2 3.99Å; L176-L228 HydrophobicContact CD1-CD1 4.47Å
177R93.5Very high97.1Very high69 Ų6932.3 Ų32.326%0.2615%0.152SC..  trans-141.5149.7179.6-68.3-174.5-76.1170.5-5.1110.4G175 V179 K180 V208 L212G175-R177 PolarHBondContact O-N 3.29Å; R177-V179 VanDerWaalsContact C-N 3.26Å; R177-V179 HydrophobicContact CB-CG1 4.3Å; R177-V179 PolarHBondContact O-N 3.04Å; R177-K180 HydrophobicContact CB-CG 4.42Å; R177-K180 WeakPolarHBondContact O-CB 3.26Å; R177-K180 PolarHBondContact O-N 2.77Å; R177-V208 HydrophobicContact CG-CB 3.74Å; R177-V208 HydrophobicContact CG-CG1 3.87Å; R177-V208 HydrophobicContact CG-CG2 4.43Å; R177-L212 WeakPolarHBondContact O-CD2 3.49Å
178R95.1Very high97.2Very high132 Ų13232 Ų3250%0.49815%0.151SC..G310 helixtrans-54.7-41.4-177.1-68.9-71.4179.7-167.7-4.8112.8K180 D181 L212 E215R178-K180 PolarHBondContact O-N 3.05Å; R178-K180 VanDerWaalsContact O-N 3.13Å; R178-D181 PolarHBondContact O-N 3.32Å; R178-L212 HydrophobicContact CG-CD2 4.39Å; R178-L212 VanDerWaalsContact N-CD2 3.25Å; R178-E215 IonicContact CZ-OE2 3.88Å; R178-E215 IonicContact NH1-OE1 2.76Å; R178-E215 PolarHBondContact NH1-OE1 2.87Å; R178-E215 IonicContact NH1-OE2 3.85Å; R178-E215 PolarHBondContact NH1-OE2 3.34Å; R178-E215 IonicContact NH2-OE2 2.67Å; R178-E215 PolarHBondContact NH2-OE2 3.39Å
179V94.3Very high97.2Very high36 Ų3628 Ų2822%0.21814%0.136CC..G310 helixtrans-61.7-22178.876.30000113.9R177 S251 V252R177-V179 VanDerWaalsContact C-N 3.26Å; R177-V179 HydrophobicContact CB-CG1 4.3Å; R177-V179 PolarHBondContact O-N 3.04Å; V179-S251 WeakPolarHBondContact O-CA 3.38Å; V179-V252 HydrophobicContact CB-CG2 4.37Å; V179-V252 HydrophobicContact CG2-CG2 3.93Å; V179-V252 VanDerWaalsContact O-CG2 3.23Å; V179-V252 WeakPolarHBondContact O-CG2 3.29Å; V179-V252 PolarHBondContact O-N 3.46Å
180K96.1Very high97.2Very high23 Ų2328.9 Ų28.910%0.114%0.142CC..G310 helixtrans-88.4-13.5179.2-61.5-56-171.1-174.20113.2C174 G175 R177 R178 S250 S251 E254C174-K180 HydrophobicContact CB-CB 3.86Å; C174-K180 HydrophobicContact CB-CD 4.38Å; C174-K180 HydrophobicContact CB-CG 4.01Å; G175-K180 WeakPolarHBondContact O-CG 3.4Å; R177-K180 HydrophobicContact CB-CG 4.42Å; R177-K180 WeakPolarHBondContact O-CB 3.26Å; R177-K180 PolarHBondContact O-N 2.77Å; R178-K180 PolarHBondContact O-N 3.05Å; R178-K180 VanDerWaalsContact O-N 3.13Å; K180-S250 PolarHBondContact O-OG 2.9Å; K180-S250 VanDerWaalsContact O-OG 3.05Å; K180-S251 VanDerWaalsContact CD-OG 3.26Å; K180-S251 WeakPolarHBondContact CD-OG 3.37Å; K180-E254 IonicContact NZ-OE1 2.82Å; K180-E254 PolarHBondContact NZ-OE1 3.21Å; K180-E254 IonicContact NZ-OE2 2.93Å; K180-E254 PolarHBondContact NZ-OE2 3.33Å
181D97.8Very high97.1Very high44 Ų4434.6 Ų34.624%0.23517%0.169CC..  trans44.457.3175.7-159.74000113R178 L183 Y184 S250 V252 R273R178-D181 PolarHBondContact O-N 3.32Å; D181-L183 PolarHBondContact O-N 3.26Å; D181-Y184 VanDerWaalsContact O-CB 3.3Å; D181-Y184 WeakPolarHBondContact O-CB 3.4Å; D181-Y184 PolarHBondContact O-N 3.41Å; D181-Y184 VanDerWaalsContact OD2-CD2 3.29Å; D181-Y184 WeakPolarHBondContact OD2-CD2 3.1Å; D181-S250 WeakPolarHBondContact O-CB 3.43Å; D181-S250 PolarHBondContact O-OG 3.19Å; D181-V252 HydrophobicContact CB-CG1 4.13Å; D181-R273 IonicContact OD2-NH1 2.71Å; D181-R273 PolarHBondContact OD2-NH1 3.14Å
182P98Very high97Very high2 Ų235.2 Ų35.21%0.01317%0.171CC..THydrogen-bonded Turntrans-67-18.6-170.426.8-35.4000113.8L172 L176 I203 L212 V216L172-P182 HydrophobicContact CD2-CB 4.19Å; L172-P182 WeakPolarHBondContact CD2-O 3.37Å; L176-P182 HydrophobicContact CD2-CB 4.37Å; L176-P182 HydrophobicContact CD2-CG 4.46Å; P182-I203 HydrophobicContact CB-CD1 4.48Å; P182-I203 HydrophobicContact CB-CG2 4.28Å; P182-I203 WeakPolarHBondContact O-CD1 3.24Å; P182-L212 HydrophobicContact CG-CD2 4.29Å; P182-V216 HydrophobicContact CB-CG2 4.38Å; P182-V216 HydrophobicContact CG-CG2 3.69Å
183L98.3Very high96.9Very high31 Ų3136.3 Ų36.316%0.16218%0.176CC..THydrogen-bonded Turntrans-95.5-2.3-179.5-63.8178.9000113.4D181 L185 A186 E215 V216 V219D181-L183 PolarHBondContact O-N 3.26Å; L183-L185 PolarHBondContact O-N 3.28Å; L183-A186 HydrophobicContact CD2-CB 4.36Å; L183-A186 WeakPolarHBondContact O-CB 3.38Å; L183-A186 PolarHBondContact O-N 2.87Å; L183-E215 HydrophobicContact CD1-CG 4.05Å; L183-V216 HydrophobicContact CD1-CG2 4.2Å; L183-V216 HydrophobicContact CD2-CB 4.38Å; L183-V216 HydrophobicContact CD2-CG1 4.2Å; L183-V216 HydrophobicContact CD2-CG2 4.16Å; L183-V216 HydrophobicContact CG-CG2 3.99Å; L183-V219 HydrophobicContact CD1-CB 4.09Å; L183-V219 HydrophobicContact CD1-CG1 4.43Å; L183-V219 HydrophobicContact CD1-CG2 3.86Å; L183-V219 HydrophobicContact CD2-CB 3.95Å; L183-V219 HydrophobicContact CD2-CG1 3.81Å
184Y98.6Very high96.8Very high48 Ų4839.4 Ų39.419%0.18820%0.199CC..THydrogen-bonded Turntrans-51.6-32.6-175.4-173.2-117.1000114.5D181 F291 S292 S293 P294D181-Y184 VanDerWaalsContact O-CB 3.3Å; D181-Y184 WeakPolarHBondContact O-CB 3.4Å; D181-Y184 PolarHBondContact O-N 3.41Å; D181-Y184 VanDerWaalsContact OD2-CD2 3.29Å; D181-Y184 WeakPolarHBondContact OD2-CD2 3.1Å; Y184-F291 HydrophobicContact CD1-CE2 4.25Å; Y184-F291 AromaticContact CE1-CE2 3.88Å; Y184-F291 HydrophobicContact CE1-CE2 3.88Å; Y184-S292 PolarHBondContact OH-O 3.07Å; Y184-S293 WeakPolarHBondContact OH-CA 3.31Å; Y184-P294 HydrophobicContact CE1-CG 4.13Å; Y184-P294 HydrophobicContact CE2-CG 4.4Å; Y184-P294 WeakPolarHBondContact OH-CD 3.27Å
185L98.4Very high96.7Very high3 Ų345.4 Ų45.42%0.01623%0.226CC..THydrogen-bonded Turntrans-109.34.3-176.1-58.5172.7000113.2L183 D187 V188 F189 L201 V248 F291 P294 F297L183-L185 PolarHBondContact O-N 3.28Å; L185-D187 PolarHBondContact O-N 3.1Å; L185-V188 HydrophobicContact CB-CG1 4.22Å; L185-V188 HydrophobicContact CD2-CG1 4.19Å; L185-V188 WeakPolarHBondContact O-CG1 3.27Å; L185-V188 PolarHBondContact O-N 2.77Å; L185-F189 HydrophobicContact CB-CD2 3.86Å; L185-F189 HydrophobicContact CB-CE2 4.16Å; L185-F189 HydrophobicContact CD1-CE2 4.34Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 WeakPolarHBondContact O-CD2 3.41Å; L185-F189 PolarHBondContact O-N 2.99Å; L185-L201 HydrophobicContact CB-CD2 4.32Å; L185-V248 HydrophobicContact CD1-CG1 3.59Å; L185-F291 HydrophobicContact CD1-CZ 4.28Å; L185-F291 HydrophobicContact CD2-CE2 4.33Å; L185-P294 HydrophobicContact CD2-CB 4.11Å; L185-P294 HydrophobicContact CD2-CG 4.44Å; L185-F297 HydrophobicContact CD1-CD1 4.23Å; L185-F297 HydrophobicContact CD1-CD2 3.75Å; L185-F297 HydrophobicContact CD1-CE1 4.26Å; L185-F297 HydrophobicContact CD1-CE2 3.75Å; L185-F297 HydrophobicContact CD1-CG 4Å; L185-F297 HydrophobicContact CD1-CZ 4.03Å; L185-F297 HydrophobicContact CD2-CB 3.91Å; L185-F297 HydrophobicContact CD2-CD1 4.03Å; L185-F297 HydrophobicContact CD2-CD2 4.32Å; L185-F297 HydrophobicContact CD2-CG 3.8Å
186A98.2Very high96.7Very high1 Ų147.6 Ų47.61%0.00824%0.235CC..Hα-helixtrans-62.2-44.6-171.600000112.8L183 S190 V219 V226L183-A186 HydrophobicContact CD2-CB 4.36Å; L183-A186 WeakPolarHBondContact O-CB 3.38Å; L183-A186 PolarHBondContact O-N 2.87Å; A186-S190 PolarHBondContact O-N 2.93Å; A186-S190 PolarHBondContact O-OG 3.01Å; A186-V219 HydrophobicContact CB-CG1 4.2Å; A186-V226 HydrophobicContact CB-CG2 4.49Å
187D97.9Very high96.6Very high136 Ų13653 Ų5373%0.72726%0.263SS*.Hα-helixtrans-67.2-46.5-178.6-66.1-22000111.3L185 F189 S190 E191L185-D187 PolarHBondContact O-N 3.1Å; D187-F189 VanDerWaalsContact C-N 3.31Å; D187-F189 PolarHBondContact O-N 3.13Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.19Å; D187-S190 VanDerWaalsContact O-N 3.07Å; D187-E191 PolarHBondContact O-N 2.92Å
188V97.7Very high96.7Very high14 Ų1451.9 Ų51.99%0.08526%0.261CS..Hα-helixtrans-67-33.4-179.279.40000112.1L185 W192 P294 M298L185-V188 HydrophobicContact CB-CG1 4.22Å; L185-V188 HydrophobicContact CD2-CG1 4.19Å; L185-V188 WeakPolarHBondContact O-CG1 3.27Å; L185-V188 PolarHBondContact O-N 2.77Å; V188-W192 VanDerWaalsContact O-CB 3.32Å; V188-W192 WeakPolarHBondContact O-CB 3.3Å; V188-W192 PolarHBondContact O-N 3.36Å; V188-P294 HydrophobicContact CB-CB 3.99Å; V188-P294 HydrophobicContact CG1-CB 3.84Å; V188-P294 HydrophobicContact CG2-CB 4.38Å; V188-M298 HydrophobicContact CB-CG 4.47Å; V188-M298 HydrophobicContact CG1-CG 4.41Å; V188-M298 HydrophobicContact CG2-CG 3.27Å; V188-M298 HydrophobicContact CG2-SD 3.97Å
189F97.3Very high96.8Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-69.3-34.7171.7-96.6-79.8000112.5F170 L185 D187 W192 H193 L201 V226 F297F170-F189 HydrophobicContact CB-CE1 3.93Å; F170-F189 HydrophobicContact CB-CE2 4.43Å; F170-F189 HydrophobicContact CB-CZ 3.45Å; F170-F189 VanDerWaalsContact CB-CZ 3.45Å; F170-F189 HydrophobicContact CD1-CZ 4.03Å; F170-F189 AromaticContact CD2-CE1 3.59Å; F170-F189 HydrophobicContact CD2-CE1 3.59Å; F170-F189 AromaticContact CD2-CZ 3.74Å; F170-F189 HydrophobicContact CD2-CZ 3.74Å; F170-F189 HydrophobicContact CE2-CE1 4.31Å; F170-F189 AromaticContact CG-CE1 3.83Å; F170-F189 HydrophobicContact CG-CE1 3.83Å; F170-F189 AromaticContact CG-CZ 3.47Å; F170-F189 HydrophobicContact CG-CZ 3.47Å; F170-F189 VanDerWaalsContact CG-CZ 3.47Å; L185-F189 HydrophobicContact CB-CD2 3.86Å; L185-F189 HydrophobicContact CB-CE2 4.16Å; L185-F189 HydrophobicContact CD1-CE2 4.34Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 WeakPolarHBondContact O-CD2 3.41Å; L185-F189 PolarHBondContact O-N 2.99Å; D187-F189 VanDerWaalsContact C-N 3.31Å; D187-F189 PolarHBondContact O-N 3.13Å; F189-W192 HydrophobicContact CD1-CE3 4.08Å; F189-W192 AromaticContact CE1-CE3 3.81Å; F189-W192 HydrophobicContact CE1-CE3 3.81Å; F189-W192 AromaticContact CE1-CZ3 3.91Å; F189-W192 HydrophobicContact CE1-CZ3 3.91Å; F189-W192 HydrophobicContact CZ-CE3 4.42Å; F189-W192 HydrophobicContact CZ-CZ3 4.28Å; F189-W192 PolarHBondContact O-N 3.05Å; F189-H193 WeakPolarHBondContact O-CB 3.34Å; F189-H193 PolarHBondContact O-N 2.88Å; F189-L201 HydrophobicContact CB-CB 4.12Å; F189-L201 HydrophobicContact CD1-CB 3.68Å; F189-L201 HydrophobicContact CD2-CB 3.68Å; F189-L201 HydrophobicContact CD2-CD1 4.38Å; F189-L201 HydrophobicContact CD2-CD2 3.67Å; F189-L201 HydrophobicContact CD2-CG 4.11Å; F189-L201 HydrophobicContact CE1-CB 3.92Å; F189-L201 HydrophobicContact CE2-CB 3.91Å; F189-L201 HydrophobicContact CE2-CD1 3.97Å; F189-L201 HydrophobicContact CE2-CD2 4.06Å; F189-L201 HydrophobicContact CE2-CG 4.2Å; F189-L201 HydrophobicContact CG-CB 3.55Å; F189-L201 HydrophobicContact CG-CD2 4.22Å; F189-L201 HydrophobicContact CG-CG 4.44Å; F189-L201 HydrophobicContact CZ-CB 4.03Å; F189-L201 HydrophobicContact CZ-CD1 4.3Å; F189-V226 HydrophobicContact CB-CG2 3.81Å; F189-F297 HydrophobicContact CD2-CE1 4.14Å; F189-F297 HydrophobicContact CE2-CD1 4.27Å; F189-F297 AromaticContact CE2-CE1 3.23Å; F189-F297 HydrophobicContact CE2-CE1 3.23Å; F189-F297 AromaticContact CE2-CZ 3.42Å; F189-F297 HydrophobicContact CE2-CZ 3.42Å; F189-F297 VanDerWaalsContact CE2-CZ 3.42Å; F189-F297 AromaticContact CZ-CE1 3.48Å; F189-F297 HydrophobicContact CZ-CE1 3.48Å; F189-F297 VanDerWaalsContact CZ-CE1 3.48Å; F189-F297 AromaticContact CZ-CZ 3.51Å; F189-F297 HydrophobicContact CZ-CZ 3.51Å
190S97.8Very high97Very high21 Ų2144.1 Ų44.115%0.14723%0.228CC..Hα-helixtrans-64.6-43.7176.3-60.20000111.4A186 D187 S194 T224A186-S190 PolarHBondContact O-N 2.93Å; A186-S190 PolarHBondContact O-OG 3.01Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.19Å; D187-S190 VanDerWaalsContact O-N 3.07Å; S190-S194 PolarHBondContact O-N 3.28Å; S190-T224 VanDerWaalsContact CA-O 3.27Å; S190-T224 WeakPolarHBondContact CA-O 3.47Å; S190-T224 PolarHBondContact OG-O 2.68Å
191E97.2Very high97.1Very high120 Ų12043 Ų4356%0.56122%0.224SC*.Hα-helixtrans-61.7-51.6173-175.7176.2-166.500110.9D187 H193 S194 E195D187-E191 PolarHBondContact O-N 2.92Å; E191-H193 VanDerWaalsContact C-N 3.32Å; E191-H193 PolarHBondContact O-N 3.02Å; E191-S194 WeakPolarHBondContact O-CB 3.42Å; E191-S194 PolarHBondContact O-N 2.75Å; E191-S194 PolarHBondContact O-OG 3.29Å; E191-E195 PolarHBondContact O-N 3.44Å
192W96.9Very high97.1Very high12 Ų1241 Ų415%0.04521%0.212CC..Hα-helixtrans-62.6-38.1-178.1-169.625.5000113.7F170 V188 F189 S194 E195 N196 N199 M298 L305F170-W192 HydrophobicContact CD2-CZ3 4.12Å; F170-W192 HydrophobicContact CE1-CH2 4.42Å; F170-W192 HydrophobicContact CE1-CZ3 4.29Å; F170-W192 AromaticContact CE2-CH2 3.57Å; F170-W192 HydrophobicContact CE2-CH2 3.57Å; F170-W192 AromaticContact CE2-CZ3 3.43Å; F170-W192 HydrophobicContact CE2-CZ3 3.43Å; F170-W192 VanDerWaalsContact CE2-CZ3 3.43Å; F170-W192 AromaticContact CZ-CH2 3.44Å; F170-W192 HydrophobicContact CZ-CH2 3.44Å; F170-W192 VanDerWaalsContact CZ-CH2 3.44Å; F170-W192 AromaticContact CZ-CZ3 3.55Å; F170-W192 HydrophobicContact CZ-CZ3 3.55Å; V188-W192 VanDerWaalsContact O-CB 3.32Å; V188-W192 WeakPolarHBondContact O-CB 3.3Å; V188-W192 PolarHBondContact O-N 3.36Å; F189-W192 HydrophobicContact CD1-CE3 4.08Å; F189-W192 AromaticContact CE1-CE3 3.81Å; F189-W192 HydrophobicContact CE1-CE3 3.81Å; F189-W192 AromaticContact CE1-CZ3 3.91Å; F189-W192 HydrophobicContact CE1-CZ3 3.91Å; F189-W192 HydrophobicContact CZ-CE3 4.42Å; F189-W192 HydrophobicContact CZ-CZ3 4.28Å; F189-W192 PolarHBondContact O-N 3.05Å; W192-S194 VanDerWaalsContact C-N 3.29Å; W192-S194 PolarHBondContact O-N 3.39Å; W192-E195 PolarHBondContact O-N 2.9Å; W192-N196 PolarHBondContact O-N 3.37Å; W192-N199 HydrophobicContact CD2-CB 3.71Å; W192-N199 VanDerWaalsContact CE2-CG 3.47Å; W192-N199 HydrophobicContact CE3-CB 3.77Å; W192-N199 HydrophobicContact CG-CB 4.32Å; W192-N199 HydrophobicContact CH2-CB 4.2Å; W192-N199 HydrophobicContact CZ2-CB 4.16Å; W192-N199 WeakPolarHBondContact CZ2-ND2 3.45Å; W192-N199 HydrophobicContact CZ3-CB 4.02Å; W192-N199 PolarHBondContact NE1-ND2 3.1Å; W192-M298 HydrophobicContact CB-CE 3.56Å; W192-M298 HydrophobicContact CB-SD 3.95Å; W192-M298 HydrophobicContact CD2-CE 3.24Å; W192-M298 HydrophobicContact CD2-SD 3.66Å; W192-M298 HydrophobicContact CE3-CE 3.8Å; W192-M298 HydrophobicContact CE3-SD 3.54Å; W192-M298 VanDerWaalsContact CE3-SD 3.54Å; W192-M298 HydrophobicContact CG-CE 3.13Å; W192-M298 HydrophobicContact CG-SD 3.88Å; W192-M298 HydrophobicContact CZ2-CE 4.37Å; W192-M298 HydrophobicContact CZ3-SD 4.19Å; W192-L305 HydrophobicContact CH2-CD1 3.78Å; W192-L305 HydrophobicContact CZ2-CD1 3.49Å; W192-L305 VanDerWaalsContact CZ2-CD1 3.49Å
193H96.4Very high97.2Very high28 Ų2840.9 Ų40.913%0.1321%0.212CC..Hα-helixtrans-63.8-37175.1-175.379000111.4F189 E191 E195 N196 L197 N199 G225F189-H193 WeakPolarHBondContact O-CB 3.34Å; F189-H193 PolarHBondContact O-N 2.88Å; E191-H193 VanDerWaalsContact C-N 3.32Å; E191-H193 PolarHBondContact O-N 3.02Å; H193-E195 VanDerWaalsContact C-N 3.28Å; H193-E195 PolarHBondContact O-N 3.27Å; H193-N196 CarbonylContact O-C 3.04Å; H193-N196 PolarHBondContact O-N 3.04Å; H193-L197 PolarHBondContact CE1-O 2.94Å; H193-L197 PolarHBondContact ND1-O 3.44Å; H193-L197 WeakPolarHBondContact O-CA 3.42Å; H193-L197 WeakPolarHBondContact O-CD2 3.48Å; H193-L197 PolarHBondContact O-N 3.36Å; H193-L197 VanDerWaalsContact O-N 3.14Å; H193-N199 PolarHBondContact ND1-O 3.1Å; H193-G225 PolarHBondContact CD2-N 2.72Å
194S95.5Very high97.2Very high86 Ų8639.6 Ų39.660%0.60121%0.205SC*.Hα-helixtrans-65.2-31.7177.478.70000113.1S190 E191 W192S190-S194 PolarHBondContact O-N 3.28Å; E191-S194 WeakPolarHBondContact O-CB 3.42Å; E191-S194 PolarHBondContact O-N 2.75Å; E191-S194 PolarHBondContact O-OG 3.29Å; W192-S194 VanDerWaalsContact C-N 3.29Å; W192-S194 PolarHBondContact O-N 3.39Å
195E95.4Very high97Very high136 Ų13637.9 Ų37.964%0.63620%0.202SC*.Hα-helixtrans-76.8-35.9173.2-60.9-178.3159.100112.2E191 W192 H193E191-E195 PolarHBondContact O-N 3.44Å; W192-E195 PolarHBondContact O-N 2.9Å; H193-E195 VanDerWaalsContact C-N 3.28Å; H193-E195 PolarHBondContact O-N 3.27Å
196N94Very high96.8Very high56 Ų5638.3 Ų38.330%0.29921%0.205SC..  trans-149.6105.4178.9-170-24.9000111.4R168 W192 H193 H198 N199R168-N196 PolarHBondContact NH1-ND2 2.82Å; W192-N196 PolarHBondContact O-N 3.37Å; H193-N196 CarbonylContact O-C 3.04Å; H193-N196 PolarHBondContact O-N 3.04Å; N196-H198 PolarHBondContact O-N 3.41Å; N196-H198 WeakPolarHBondContact OD1-CB 3.31Å; N196-H198 PolarHBondContact OD1-N 2.85Å; N196-H198 VanDerWaalsContact OD1-N 3.17Å; N196-H198 PolarHBondContact OD1-ND1 2.88Å; N196-N199 PolarHBondContact O-N 3.13Å; N196-N199 VanDerWaalsContact O-N 3.1Å
197L94.3Very high96.6Very high114 Ų11443.8 Ų43.860%0.59723%0.229SC*.THydrogen-bonded Turntrans-60.8-11-175.2-59.9175.8000114.2H193H193-L197 PolarHBondContact CE1-O 2.94Å; H193-L197 PolarHBondContact ND1-O 3.44Å; H193-L197 WeakPolarHBondContact O-CA 3.42Å; H193-L197 WeakPolarHBondContact O-CD2 3.48Å; H193-L197 PolarHBondContact O-N 3.36Å; H193-L197 VanDerWaalsContact O-N 3.14Å
198H95.6Very high96.3Very high47 Ų4740 Ų4022%0.21821%0.211CC..THydrogen-bonded Turntrans-75-24.4177.1-62.4103.9000113.7E166 L167 R168 N196E166-H198 WeakPolarHBondContact CB-CD2 3.43Å; E166-H198 PolarHBondContact O-CD2 3.2Å; E166-H198 IonicContact OE2-CD2 3.25Å; E166-H198 IonicContact OE2-CE1 2.64Å; E166-H198 IonicContact OE2-NE2 3.13Å; E166-H198 PolarHBondContact OE2-NE2 2.85Å; E166-H198 VanDerWaalsContact OE2-NE2 3.14Å; L167-H198 CarbonylContact C-O 3.52Å; L167-H198 WeakPolarHBondContact CA-O 3.44Å; R168-H198 PolarHBondContact N-O 3.24Å; N196-H198 PolarHBondContact O-N 3.41Å; N196-H198 WeakPolarHBondContact OD1-CB 3.31Å; N196-H198 PolarHBondContact OD1-N 2.85Å; N196-H198 VanDerWaalsContact OD1-N 3.17Å; N196-H198 PolarHBondContact OD1-ND1 2.88Å
199N96.8Very high96.1Very high2 Ų241.7 Ų41.71%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-88.5122.1-176.9-53.7-50.5000109.3R168 W192 H193 N196R168-N199 WeakPolarHBondContact CD-OD1 3.33Å; W192-N199 HydrophobicContact CD2-CB 3.71Å; W192-N199 VanDerWaalsContact CE2-CG 3.47Å; W192-N199 HydrophobicContact CE3-CB 3.77Å; W192-N199 HydrophobicContact CG-CB 4.32Å; W192-N199 HydrophobicContact CH2-CB 4.2Å; W192-N199 HydrophobicContact CZ2-CB 4.16Å; W192-N199 WeakPolarHBondContact CZ2-ND2 3.45Å; W192-N199 HydrophobicContact CZ3-CB 4.02Å; W192-N199 PolarHBondContact NE1-ND2 3.1Å; H193-N199 PolarHBondContact ND1-O 3.1Å; N196-N199 PolarHBondContact O-N 3.13Å; N196-N199 VanDerWaalsContact O-N 3.1Å
200V98.1Very high96Very high2 Ų246.6 Ų46.61%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-137.2144.3-178.6-60.70000111.3L167 R168 V169 F170 G225 F227L167-V200 HydrophobicContact CD2-CG1 4.33Å; R168-V200 PolarHBondContact O-N 2.96Å; R168-V200 VanDerWaalsContact O-N 3.13Å; V169-V200 HydrophobicContact CB-CG2 4.33Å; V169-V200 HydrophobicContact CG2-CG2 3.77Å; F170-V200 PolarHBondContact N-O 2.86Å; V200-G225 CarbonylContact C-O 3.57Å; V200-G225 VanDerWaalsContact CA-O 3.28Å; V200-G225 WeakPolarHBondContact CA-O 3.04Å; V200-F227 HydrophobicContact CB-CD2 4.2Å; V200-F227 HydrophobicContact CB-CE2 3.94Å; V200-F227 HydrophobicContact CG1-CE2 3.8Å
201L98.8Very high96Very high1 Ų148.9 Ų48.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-100.9125.8169.8177.262.2000109.2F170 L172 L185 F189 I203 G225 V226 F227F170-L201 HydrophobicContact CB-CD1 4.32Å; F170-L201 WeakPolarHBondContact O-CA 3.4Å; F170-L201 WeakPolarHBondContact O-CD1 3.47Å; L172-L201 HydrophobicContact CB-CD1 3.96Å; L185-L201 HydrophobicContact CB-CD2 4.32Å; F189-L201 HydrophobicContact CB-CB 4.12Å; F189-L201 HydrophobicContact CD1-CB 3.68Å; F189-L201 HydrophobicContact CD2-CB 3.68Å; F189-L201 HydrophobicContact CD2-CD1 4.38Å; F189-L201 HydrophobicContact CD2-CD2 3.67Å; F189-L201 HydrophobicContact CD2-CG 4.11Å; F189-L201 HydrophobicContact CE1-CB 3.92Å; F189-L201 HydrophobicContact CE2-CB 3.91Å; F189-L201 HydrophobicContact CE2-CD1 3.97Å; F189-L201 HydrophobicContact CE2-CD2 4.06Å; F189-L201 HydrophobicContact CE2-CG 4.2Å; F189-L201 HydrophobicContact CG-CB 3.55Å; F189-L201 HydrophobicContact CG-CD2 4.22Å; F189-L201 HydrophobicContact CG-CG 4.44Å; F189-L201 HydrophobicContact CZ-CB 4.03Å; F189-L201 HydrophobicContact CZ-CD1 4.3Å; L201-I203 HydrophobicContact CD2-CG1 4.45Å; L201-I203 HydrophobicContact CG-CG1 4.32Å; L201-G225 PolarHBondContact N-O 3.39Å; L201-V226 HydrophobicContact CB-CG1 4.35Å; L201-V226 HydrophobicContact CB-CG2 4.42Å; L201-V226 HydrophobicContact CD2-CG1 4.06Å; L201-V226 HydrophobicContact CG-CG1 4.31Å; L201-V226 CarbonylContact O-C 3.55Å; L201-V226 WeakPolarHBondContact O-CA 3.29Å; L201-F227 PolarHBondContact O-N 3.24Å
202I98.8Very high96Very high0 Ų043.3 Ų43.30%025%0.246CC..EExtended strand (participates in β ladder)trans-114.5120170.7-58-173.7000108.2F153 L154 V159 V169 F170 L171 L172 F227 A229F153-I202 HydrophobicContact CE1-CD1 4.07Å; F153-I202 HydrophobicContact CE1-CG2 4.5Å; F153-I202 HydrophobicContact CZ-CG2 4.22Å; L154-I202 HydrophobicContact CD2-CD1 3.56Å; V159-I202 HydrophobicContact CG2-CD1 4.41Å; V169-I202 HydrophobicContact CG1-CB 4.24Å; V169-I202 HydrophobicContact CG1-CD1 3.69Å; V169-I202 HydrophobicContact CG1-CG1 3.89Å; V169-I202 HydrophobicContact CG2-CD1 4.35Å; F170-I202 PolarHBondContact O-N 3.35Å; L171-I202 WeakPolarHBondContact CA-O 3.18Å; L171-I202 HydrophobicContact CD1-CB 3.91Å; L171-I202 HydrophobicContact CD1-CG2 3.9Å; L172-I202 PolarHBondContact N-O 3.31Å; I202-F227 HydrophobicContact CG1-CB 4.23Å; I202-F227 HydrophobicContact CG1-CD2 4.42Å; I202-A229 HydrophobicContact CG2-CB 3.66Å
203I98.8Very high96Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-91.7130.6173.5-54.2173.4000107.8L172 L176 P182 L201 V216 V220 V226 F227 L228 A229L172-I203 HydrophobicContact CB-CG1 4.4Å; L172-I203 HydrophobicContact CD2-CD1 4.47Å; L172-I203 HydrophobicContact CD2-CG1 4.01Å; L172-I203 HydrophobicContact CD2-CG2 4.34Å; L176-I203 HydrophobicContact CD2-CG2 4.01Å; P182-I203 HydrophobicContact CB-CD1 4.48Å; P182-I203 HydrophobicContact CB-CG2 4.28Å; P182-I203 WeakPolarHBondContact O-CD1 3.24Å; L201-I203 HydrophobicContact CD2-CG1 4.45Å; L201-I203 HydrophobicContact CG-CG1 4.32Å; I203-V216 HydrophobicContact CD1-CG1 4.31Å; I203-V220 HydrophobicContact CD1-CG2 4.37Å; I203-V226 HydrophobicContact CD1-CG1 4.26Å; I203-F227 PolarHBondContact N-O 3.36Å; I203-L228 HydrophobicContact CB-CD1 4.04Å; I203-L228 HydrophobicContact CG2-CD1 4.01Å; I203-A229 PolarHBondContact O-N 3.5Å
204I98.1Very high96.1Very high4 Ų444.5 Ų44.52%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-139.6134.5177.8-172.7164.5000111.6F153 L171 L172 V173 C174 A229 R232 L237F153-I204 HydrophobicContact CE2-CD1 3.94Å; F153-I204 HydrophobicContact CZ-CD1 4.38Å; L171-I204 HydrophobicContact CD1-CB 4.48Å; L171-I204 HydrophobicContact CD1-CG2 3.73Å; L171-I204 HydrophobicContact CD2-CG2 4.39Å; L171-I204 HydrophobicContact CG-CG2 4Å; L172-I204 PolarHBondContact O-N 3.01Å; V173-I204 WeakPolarHBondContact CA-O 3.47Å; V173-I204 HydrophobicContact CB-CG2 4.4Å; V173-I204 HydrophobicContact CG2-CG2 3.92Å; C174-I204 PolarHBondContact N-O 3.21Å; I204-A229 HydrophobicContact CB-CB 4.04Å; I204-A229 HydrophobicContact CD1-CB 4.06Å; I204-A229 HydrophobicContact CG1-CB 4.13Å; I204-R232 HydrophobicContact CD1-CB 4.37Å; I204-R232 HydrophobicContact CD1-CG 4.02Å; I204-L237 HydrophobicContact CD1-CD1 4.04Å; I204-L237 HydrophobicContact CG1-CD1 4.45Å; I204-L237 HydrophobicContact CG2-CD1 3.84Å
205G95.2Very high96.2Very high13 Ų1344.1 Ų44.113%0.13425%0.25CS..SBendtrans154.9176.9169.900000113.1C174C174-G205 WeakPolarHBondContact O-CA 3.33Å
206P94.2Very high96.3Very high12 Ų1237.6 Ų37.68%0.07822%0.22CC..  trans-68.6145.1-171.725.5-34.3000113.5K12 T13 G175 L176 V208 E231K12-P206 WeakPolarHBondContact O-CD 3.23Å; K12-P206 WeakPolarHBondContact O-CG 3.49Å; T13-P206 HydrophobicContact CG2-CG 3.77Å; G175-P206 CarbonylContact C-O 3.52Å; G175-P206 WeakPolarHBondContact CA-O 3.43Å; L176-P206 PolarHBondContact N-O 3.08Å; P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 HydrophobicContact CB-CG2 4.11Å; P206-V208 HydrophobicContact CG-CG2 3.99Å; P206-V208 PolarHBondContact O-N 2.87Å; P206-E231 VanDerWaalsContact CA-OE1 3.3Å; P206-E231 WeakPolarHBondContact CA-OE1 3.45Å
207K94.2Very high96.5Very high115 Ų11538.7 Ų38.750%0.522%0.223SC..  trans-78.175.5175.7-62.7178.6175.3-160.60111.1L176 T213 E217 E231L176-K207 HydrophobicContact CD1-CG 4.22Å; K207-T213 HydrophobicContact CB-CG2 3.99Å; K207-T213 HydrophobicContact CD-CG2 3.69Å; K207-T213 HydrophobicContact CG-CG2 3.67Å; K207-E217 WeakPolarHBondContact CE-OE1 3.37Å; K207-E217 IonicContact NZ-OE1 2.74Å; K207-E217 PolarHBondContact NZ-OE1 3.18Å; K207-E231 PolarHBondContact N-OE1 2.89Å
208V91.1Very high96.7Very high57 Ų5735.1 Ų35.135%0.34521%0.21SC..  trans-81.2-40.7-172.5-175.90000113.1T13 R177 P206T13-V208 HydrophobicContact CG2-CG2 4.41Å; R177-V208 HydrophobicContact CG-CB 3.74Å; R177-V208 HydrophobicContact CG-CG1 3.87Å; R177-V208 HydrophobicContact CG-CG2 4.43Å; P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 HydrophobicContact CB-CG2 4.11Å; P206-V208 HydrophobicContact CG-CG2 3.99Å; P206-V208 PolarHBondContact O-N 2.87Å
209D93.9Very high96.8Very high49 Ų4934.5 Ų34.526%0.26221%0.21SC..  trans-107.6110.8176177.8-23.4000109.1L176 A211 L212 T213L176-D209 WeakPolarHBondContact O-CB 3.47Å; L176-D209 PolarHBondContact O-N 3.16Å; D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.42Å; D209-A211 PolarHBondContact OD1-N 3.35Å; D209-L212 HydrophobicContact CB-CB 4.01Å; D209-L212 PolarHBondContact O-N 2.87Å; D209-L212 PolarHBondContact OD1-N 2.95Å; D209-L212 VanDerWaalsContact OD1-N 3.08Å; D209-T213 VanDerWaalsContact O-CB 3.25Å; D209-T213 WeakPolarHBondContact O-CB 3.5Å; D209-T213 PolarHBondContact O-N 2.93Å; D209-T213 PolarHBondContact O-OG1 3.16Å
210P95.2Very high96.8Very high103 Ų10335.4 Ų35.467%0.66922%0.215SC*.Hα-helixtrans-60.6-36.8-178.1-26.135.1000114.1T213 A214P210-T213 PolarHBondContact O-N 3.11Å; P210-A214 PolarHBondContact O-N 3.27Å
211A96.9Very high96.7Very high70 Ų7044.4 Ų44.458%0.57925%0.254SS*.Hα-helixtrans-71-46.1-177.800000110.7D209 T213 A214 E215D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.42Å; D209-A211 PolarHBondContact OD1-N 3.35Å; A211-T213 VanDerWaalsContact C-N 3.32Å; A211-A214 PolarHBondContact O-N 3.05Å; A211-E215 PolarHBondContact O-N 2.79Å
212L97.3Very high96.6Very high3 Ų353.3 Ų53.32%0.01629%0.288CS..Hα-helixtrans-66.2-36.3173.5177.565000111.9R177 R178 P182 D209 A214 E215 V216R177-L212 WeakPolarHBondContact O-CD2 3.49Å; R178-L212 HydrophobicContact CG-CD2 4.39Å; R178-L212 VanDerWaalsContact N-CD2 3.25Å; P182-L212 HydrophobicContact CG-CD2 4.29Å; D209-L212 HydrophobicContact CB-CB 4.01Å; D209-L212 PolarHBondContact O-N 2.87Å; D209-L212 PolarHBondContact OD1-N 2.95Å; D209-L212 VanDerWaalsContact OD1-N 3.08Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.89Å; L212-E215 WeakPolarHBondContact O-CB 3.09Å; L212-E215 PolarHBondContact O-N 2.89Å; L212-V216 HydrophobicContact CD1-CG2 4.14Å; L212-V216 HydrophobicContact CG-CG2 4.2Å; L212-V216 WeakPolarHBondContact O-CG2 3.27Å; L212-V216 PolarHBondContact O-N 3.03Å
213T97.6Very high96.5Very high9 Ų954.5 Ų54.56%0.05530%0.297CS..Hα-helixtrans-57.9-47.5176.6-64.10000110.9L176 K207 D209 P210 A211 E215 V216 E217L176-T213 HydrophobicContact CD1-CG2 3.99Å; K207-T213 HydrophobicContact CB-CG2 3.99Å; K207-T213 HydrophobicContact CD-CG2 3.69Å; K207-T213 HydrophobicContact CG-CG2 3.67Å; D209-T213 VanDerWaalsContact O-CB 3.25Å; D209-T213 WeakPolarHBondContact O-CB 3.5Å; D209-T213 PolarHBondContact O-N 2.93Å; D209-T213 PolarHBondContact O-OG1 3.16Å; P210-T213 PolarHBondContact O-N 3.11Å; A211-T213 VanDerWaalsContact C-N 3.32Å; T213-E215 VanDerWaalsContact C-N 3.29Å; T213-E215 PolarHBondContact O-N 3.43Å; T213-V216 PolarHBondContact O-N 3.04Å; T213-E217 WeakPolarHBondContact O-CG 3.26Å; T213-E217 PolarHBondContact O-N 2.88Å
214A97.9Very high96.4Very high55 Ų5558.2 Ų58.246%0.45532%0.32SS..Hα-helixtrans-62.1-37.417700000112.3P210 A211 L212 A218P210-A214 PolarHBondContact O-N 3.27Å; A211-A214 PolarHBondContact O-N 3.05Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.89Å; A214-A218 VanDerWaalsContact O-CB 3.31Å; A214-A218 WeakPolarHBondContact O-CB 3.38Å; A214-A218 PolarHBondContact O-N 3.29Å
215E98.2Very high96.3Very high78 Ų7858.2 Ų58.236%0.36432%0.321SS..Hα-helixtrans-63.9-47.7174.4-174.9-176.6148.400111.9R178 L183 A211 L212 T213 E217 A218 V219R178-E215 IonicContact CZ-OE2 3.88Å; R178-E215 IonicContact NH1-OE1 2.76Å; R178-E215 PolarHBondContact NH1-OE1 2.87Å; R178-E215 IonicContact NH1-OE2 3.85Å; R178-E215 PolarHBondContact NH1-OE2 3.34Å; R178-E215 IonicContact NH2-OE2 2.67Å; R178-E215 PolarHBondContact NH2-OE2 3.39Å; L183-E215 HydrophobicContact CD1-CG 4.05Å; A211-E215 PolarHBondContact O-N 2.79Å; L212-E215 WeakPolarHBondContact O-CB 3.09Å; L212-E215 PolarHBondContact O-N 2.89Å; T213-E215 VanDerWaalsContact C-N 3.29Å; T213-E215 PolarHBondContact O-N 3.43Å; E215-E217 PolarHBondContact O-N 2.97Å; E215-A218 PolarHBondContact O-N 3.26Å; E215-V219 WeakPolarHBondContact O-CG2 3.44Å; E215-V219 PolarHBondContact O-N 3.33Å
216V98.3Very high96.5Very high0 Ų057.7 Ų57.70%032%0.315CS..Hα-helixtrans-59.3-48.6177.2175.10000110.6P182 L183 I203 L212 T213 A218 V219 V220 L228P182-V216 HydrophobicContact CB-CG2 4.38Å; P182-V216 HydrophobicContact CG-CG2 3.69Å; L183-V216 HydrophobicContact CD1-CG2 4.2Å; L183-V216 HydrophobicContact CD2-CB 4.38Å; L183-V216 HydrophobicContact CD2-CG1 4.2Å; L183-V216 HydrophobicContact CD2-CG2 4.16Å; L183-V216 HydrophobicContact CG-CG2 3.99Å; I203-V216 HydrophobicContact CD1-CG1 4.31Å; L212-V216 HydrophobicContact CD1-CG2 4.14Å; L212-V216 HydrophobicContact CG-CG2 4.2Å; L212-V216 WeakPolarHBondContact O-CG2 3.27Å; L212-V216 PolarHBondContact O-N 3.03Å; T213-V216 PolarHBondContact O-N 3.04Å; V216-A218 VanDerWaalsContact C-N 3.31Å; V216-A218 PolarHBondContact O-N 3.12Å; V216-V219 PolarHBondContact O-N 3.34Å; V216-V220 HydrophobicContact CG1-CG2 4.06Å; V216-V220 WeakPolarHBondContact O-CB 3.44Å; V216-V220 VanDerWaalsContact O-CG2 3.25Å; V216-V220 WeakPolarHBondContact O-CG2 3.3Å; V216-V220 PolarHBondContact O-N 2.85Å; V216-L228 HydrophobicContact CG1-CD1 4.27Å; V216-L228 HydrophobicContact CG1-CD2 4.35Å
217E97.8Very high96.7Very high79 Ų7958.8 Ų58.837%0.36932%0.319SS..Hα-helixtrans-58.6-42.3177.7-73.6176.3173.400112K207 T213 E215 K221 L228K207-E217 WeakPolarHBondContact CE-OE1 3.37Å; K207-E217 IonicContact NZ-OE1 2.74Å; K207-E217 PolarHBondContact NZ-OE1 3.18Å; T213-E217 WeakPolarHBondContact O-CG 3.26Å; T213-E217 PolarHBondContact O-N 2.88Å; E215-E217 PolarHBondContact O-N 2.97Å; E217-K221 VanDerWaalsContact O-CB 3.29Å; E217-K221 WeakPolarHBondContact O-CB 3.38Å; E217-K221 PolarHBondContact O-N 3.49Å; E217-L228 HydrophobicContact CG-CD2 3.66Å
218A98.1Very high96.9Very high38 Ų3855 Ų5531%0.31430%0.304SS..Hα-helixtrans-67.4-38.5178.700000112.8A214 E215 V216 R222A214-A218 VanDerWaalsContact O-CB 3.31Å; A214-A218 WeakPolarHBondContact O-CB 3.38Å; A214-A218 PolarHBondContact O-N 3.29Å; E215-A218 PolarHBondContact O-N 3.26Å; V216-A218 VanDerWaalsContact C-N 3.31Å; V216-A218 PolarHBondContact O-N 3.12Å; A218-R222 VanDerWaalsContact O-CZ 3.32Å; A218-R222 PolarHBondContact O-NE 3.09Å; A218-R222 PolarHBondContact O-NH2 3.07Å
219V97.9Very high97.2Very high35 Ų3552.6 Ų52.621%0.21229%0.29CS..Hα-helixtrans-70.3-49.6176.4171.60000110.8L183 A186 E215 V216 K221 R222 A223L183-V219 HydrophobicContact CD1-CB 4.09Å; L183-V219 HydrophobicContact CD1-CG1 4.43Å; L183-V219 HydrophobicContact CD1-CG2 3.86Å; L183-V219 HydrophobicContact CD2-CB 3.95Å; L183-V219 HydrophobicContact CD2-CG1 3.81Å; A186-V219 HydrophobicContact CB-CG1 4.2Å; E215-V219 WeakPolarHBondContact O-CG2 3.44Å; E215-V219 PolarHBondContact O-N 3.33Å; V216-V219 PolarHBondContact O-N 3.34Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 2.92Å; V219-R222 PolarHBondContact O-N 3.43Å; V219-A223 WeakPolarHBondContact O-CB 3.45Å; V219-A223 PolarHBondContact O-N 3.12Å
220V97.1Very high97.2Very high21 Ų2155.8 Ų55.813%0.12730%0.303CS..Hα-helixtrans-58.2-37.3178.71690000111.9I203 V216 R222 A223 V226 L228I203-V220 HydrophobicContact CD1-CG2 4.37Å; V216-V220 HydrophobicContact CG1-CG2 4.06Å; V216-V220 WeakPolarHBondContact O-CB 3.44Å; V216-V220 VanDerWaalsContact O-CG2 3.25Å; V216-V220 WeakPolarHBondContact O-CG2 3.3Å; V216-V220 PolarHBondContact O-N 2.85Å; V220-R222 PolarHBondContact O-N 2.87Å; V220-A223 PolarHBondContact O-N 2.94Å; V220-V226 HydrophobicContact CG2-CG1 4.11Å; V220-L228 HydrophobicContact CB-CB 4.5Å; V220-L228 HydrophobicContact CG1-CB 3.99Å; V220-L228 HydrophobicContact CG2-CB 4.3Å
221K96.6Very high97.1Very high190 Ų19054.1 Ų54.183%0.82629%0.286SS*.THydrogen-bonded Turntrans-62.3-26.2176.4-176.3174.5178.7-179.20113.6E217 V219E217-K221 VanDerWaalsContact O-CB 3.29Å; E217-K221 WeakPolarHBondContact O-CB 3.38Å; E217-K221 PolarHBondContact O-N 3.49Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 2.92Å
222R96.2Very high97Very high189 Ų18952.8 Ų52.871%0.71327%0.266SS*.THydrogen-bonded Turntrans-100.9-27.3-177.9-67.4179.5-73.7-134.60.4112.8A218 V219 V220A218-R222 VanDerWaalsContact O-CZ 3.32Å; A218-R222 PolarHBondContact O-NE 3.09Å; A218-R222 PolarHBondContact O-NH2 3.07Å; V219-R222 PolarHBondContact O-N 3.43Å; V220-R222 PolarHBondContact O-N 2.87Å
223A96.3Very high96.8Very high24 Ų2455.1 Ų55.120%0.19828%0.283CS..  trans-70.9149.8178.800000111.6V219 V220 V226V219-A223 WeakPolarHBondContact O-CB 3.45Å; V219-A223 PolarHBondContact O-N 3.12Å; V220-A223 PolarHBondContact O-N 2.94Å; A223-V226 HydrophobicContact CB-CB 3.9Å; A223-V226 HydrophobicContact CB-CG2 4.06Å
224T95.9Very high96.6Very high79 Ų7957.3 Ų57.349%0.48529%0.292SS..SBendtrans-101.8141170.349.70000109.2S190 V226S190-T224 VanDerWaalsContact CA-O 3.27Å; S190-T224 WeakPolarHBondContact CA-O 3.47Å; S190-T224 PolarHBondContact OG-O 2.68Å; T224-V226 PolarHBondContact O-N 3.01Å; T224-V226 VanDerWaalsContact O-N 3.12Å
225G96.8Very high96.6Very high3 Ų358.8 Ų58.83%0.03129%0.29CS..SBendtrans70.81.9179.500000115.7H193 V200 L201H193-G225 PolarHBondContact CD2-N 2.72Å; V200-G225 CarbonylContact C-O 3.57Å; V200-G225 VanDerWaalsContact CA-O 3.28Å; V200-G225 WeakPolarHBondContact CA-O 3.04Å; L201-G225 PolarHBondContact N-O 3.39Å
226V98.4Very high96.5Very high3 Ų358.1 Ų58.12%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-114.2130.9174-171.80000108.8A186 F189 L201 I203 V220 A223 T224A186-V226 HydrophobicContact CB-CG2 4.49Å; F189-V226 HydrophobicContact CB-CG2 3.81Å; L201-V226 HydrophobicContact CB-CG1 4.35Å; L201-V226 HydrophobicContact CB-CG2 4.42Å; L201-V226 HydrophobicContact CD2-CG1 4.06Å; L201-V226 HydrophobicContact CG-CG1 4.31Å; L201-V226 CarbonylContact O-C 3.55Å; L201-V226 WeakPolarHBondContact O-CA 3.29Å; I203-V226 HydrophobicContact CD1-CG1 4.26Å; V220-V226 HydrophobicContact CG2-CG1 4.11Å; A223-V226 HydrophobicContact CB-CB 3.9Å; A223-V226 HydrophobicContact CB-CG2 4.06Å; T224-V226 PolarHBondContact O-N 3.01Å; T224-V226 VanDerWaalsContact O-N 3.12Å
227F98.4Very high96.5Very high35 Ų3559.1 Ų59.115%0.15429%0.292CS..EExtended strand (participates in β ladder)trans-133.1152.8-174-57.8-83.1000110.9G158 V159 V200 L201 I202 I203G158-F227 WeakPolarHBondContact O-CE1 3.49Å; V159-F227 HydrophobicContact CG2-CD1 4.1Å; V159-F227 HydrophobicContact CG2-CD2 3.89Å; V159-F227 HydrophobicContact CG2-CE1 4.13Å; V159-F227 HydrophobicContact CG2-CE2 3.92Å; V159-F227 HydrophobicContact CG2-CG 3.98Å; V159-F227 HydrophobicContact CG2-CZ 4.05Å; V200-F227 HydrophobicContact CB-CD2 4.2Å; V200-F227 HydrophobicContact CB-CE2 3.94Å; V200-F227 HydrophobicContact CG1-CE2 3.8Å; L201-F227 PolarHBondContact O-N 3.24Å; I202-F227 HydrophobicContact CG1-CB 4.23Å; I202-F227 HydrophobicContact CG1-CD2 4.42Å; I203-F227 PolarHBondContact N-O 3.36Å
228L98.3Very high96.5Very high36 Ų3655.6 Ų55.619%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-115.3108.9173.8-179.364.5000108.2L176 I203 V216 E217 V220L176-L228 HydrophobicContact CD1-CD1 4.47Å; I203-L228 HydrophobicContact CB-CD1 4.04Å; I203-L228 HydrophobicContact CG2-CD1 4.01Å; V216-L228 HydrophobicContact CG1-CD1 4.27Å; V216-L228 HydrophobicContact CG1-CD2 4.35Å; E217-L228 HydrophobicContact CG-CD2 3.66Å; V220-L228 HydrophobicContact CB-CB 4.5Å; V220-L228 HydrophobicContact CG1-CB 3.99Å; V220-L228 HydrophobicContact CG2-CB 4.3Å
229A97.9Very high96.5Very high6 Ų654.2 Ų54.25%0.0526%0.264CS..PPolyproline II helixtrans-75.6150.9176.300000110.9F153 S157 I202 I203 I204F153-A229 HydrophobicContact CE2-CB 4.08Å; F153-A229 HydrophobicContact CZ-CB 4.11Å; S157-A229 VanDerWaalsContact OG-CB 3.25Å; S157-A229 WeakPolarHBondContact OG-CB 3.38Å; I202-A229 HydrophobicContact CG2-CB 3.66Å; I203-A229 PolarHBondContact O-N 3.5Å; I204-A229 HydrophobicContact CB-CB 4.04Å; I204-A229 HydrophobicContact CD1-CB 4.06Å; I204-A229 HydrophobicContact CG1-CB 4.13Å
230Q94.6Very high96.6Very high116 Ų11652.5 Ų52.554%0.54225%0.254SS..PPolyproline II helixtrans-67.3151.1166.9-65.1176.929.600110.2
231E92.7Very high96.6Very high67 Ų6751.5 Ų51.531%0.31325%0.248SC..PPolyproline II helixtrans-58.8146.1173.3-60.5174.2-164.300111.3K12 P206 K207K12-E231 HydrophobicContact CD-CB 3.84Å; K12-E231 HydrophobicContact CD-CG 4.41Å; K12-E231 WeakPolarHBondContact CD-OE2 3.49Å; K12-E231 IonicContact NZ-OE2 3.97Å; K12-E231 PolarHBondContact NZ-OE2 2.9Å; P206-E231 VanDerWaalsContact CA-OE1 3.3Å; P206-E231 WeakPolarHBondContact CA-OE1 3.45Å; K207-E231 PolarHBondContact N-OE1 2.89Å
232R94.2Very high96.7Very high43 Ų4349 Ų4916%0.16224%0.236CC..  trans-125.3166.2-179.9-67.9-67.7174.4-108.85.9111K12 F153 S156 I204 E236K12-R232 VanDerWaalsContact CD-O 3.3Å; K12-R232 WeakPolarHBondContact CD-O 3.46Å; K12-R232 WeakPolarHBondContact CE-O 3.33Å; F153-R232 HydrophobicContact CD2-CG 4.5Å; F153-R232 HydrophobicContact CE2-CG 4.44Å; S156-R232 PolarHBondContact OG-NH2 3.31Å; I204-R232 HydrophobicContact CD1-CB 4.37Å; I204-R232 HydrophobicContact CD1-CG 4.02Å; R232-E236 HydrophobicContact CB-CB 3.85Å; R232-E236 HydrophobicContact CG-CB 4.38Å
233S94.1Very high96.7Very high51 Ų5147.8 Ų47.836%0.35723%0.232SC..  trans-62.3161.5165660000110.2Q235 E236 L237S233-Q235 VanDerWaalsContact C-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.16Å; S233-E236 WeakPolarHBondContact CB-OE2 3.33Å; S233-E236 PolarHBondContact N-OE2 3.5Å; S233-E236 PolarHBondContact O-N 3.08Å; S233-E236 WeakPolarHBondContact OG-CB 3.06Å; S233-E236 VanDerWaalsContact OG-CG 3.23Å; S233-E236 WeakPolarHBondContact OG-CG 3.01Å; S233-E236 PolarHBondContact OG-N 3.2Å; S233-E236 PolarHBondContact OG-OE2 3.05Å; S233-L237 WeakPolarHBondContact O-CB 3.28Å; S233-L237 PolarHBondContact O-N 3.13Å
234Q94Very high96.8Very high56 Ų5647.3 Ų47.326%0.26223%0.227SC..Hα-helixtrans-59.7-40.1178.3-169.570.917.600111.5L237 H238 E262Q234-L237 WeakPolarHBondContact O-CB 3.29Å; Q234-L237 PolarHBondContact O-N 3.12Å; Q234-H238 PolarHBondContact NE2-NE2 2.98Å; Q234-H238 VanDerWaalsContact O-CG 3.29Å; Q234-H238 PolarHBondContact O-N 3.21Å; Q234-H238 PolarHBondContact O-ND1 3.43Å; Q234-E262 PolarHBondContact NE2-OE1 2.99Å
235Q96.6Very high96.9Very high85 Ų8545 Ų4540%0.39721%0.21SC..Hα-helixtrans-67.6-40-179.8-69.4177.8-13.800112.6E143 A145 S233 H238 A239E143-Q235 VanDerWaalsContact CD-NE2 3.31Å; E143-Q235 HydrophobicContact CG-CG 4.41Å; E143-Q235 VanDerWaalsContact O-CA 3.31Å; E143-Q235 WeakPolarHBondContact O-CA 3.36Å; E143-Q235 PolarHBondContact OE2-NE2 3.49Å; A145-Q235 HydrophobicContact CB-CB 3.98Å; A145-Q235 PolarHBondContact N-O 2.9Å; S233-Q235 VanDerWaalsContact C-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.16Å; Q235-H238 PolarHBondContact O-N 3.35Å; Q235-A239 WeakPolarHBondContact O-CB 3.45Å; Q235-A239 PolarHBondContact O-N 3.31Å
236E97.3Very high97Very high65 Ų6544.9 Ų44.930%0.30421%0.209SC..Hα-helixtrans-68.6-36.2173.3-72.7172.2114.700112.2A145 F148 R232 S233 A239 A240A145-E236 HydrophobicContact CB-CG 4.28Å; F148-E236 HydrophobicContact CD2-CB 4.23Å; F148-E236 HydrophobicContact CD2-CG 4.3Å; F148-E236 HydrophobicContact CE2-CB 4.43Å; R232-E236 HydrophobicContact CB-CB 3.85Å; R232-E236 HydrophobicContact CG-CB 4.38Å; S233-E236 WeakPolarHBondContact CB-OE2 3.33Å; S233-E236 PolarHBondContact N-OE2 3.5Å; S233-E236 PolarHBondContact O-N 3.08Å; S233-E236 WeakPolarHBondContact OG-CB 3.06Å; S233-E236 VanDerWaalsContact OG-CG 3.23Å; S233-E236 WeakPolarHBondContact OG-CG 3.01Å; S233-E236 PolarHBondContact OG-N 3.2Å; S233-E236 PolarHBondContact OG-OE2 3.05Å; E236-A239 PolarHBondContact O-N 3.23Å; E236-A240 WeakPolarHBondContact O-CB 3.4Å; E236-A240 PolarHBondContact O-N 3.19Å
237L97.6Very high97.1Very high20 Ų2044.8 Ų44.811%0.10521%0.208CC..Hα-helixtrans-61-46.9173.8175.463000110.7V173 I204 S233 Q234 A239 A240 M241V173-L237 HydrophobicContact CG1-CD1 4.12Å; V173-L237 HydrophobicContact CG1-CD2 3.88Å; V173-L237 HydrophobicContact CG2-CD1 4.02Å; I204-L237 HydrophobicContact CD1-CD1 4.04Å; I204-L237 HydrophobicContact CG1-CD1 4.45Å; I204-L237 HydrophobicContact CG2-CD1 3.84Å; S233-L237 WeakPolarHBondContact O-CB 3.28Å; S233-L237 PolarHBondContact O-N 3.13Å; Q234-L237 WeakPolarHBondContact O-CB 3.29Å; Q234-L237 PolarHBondContact O-N 3.12Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.41Å; L237-A240 WeakPolarHBondContact O-CB 3.3Å; L237-A240 PolarHBondContact O-N 3.26Å; L237-M241 HydrophobicContact CD1-CG 4.43Å; L237-M241 HydrophobicContact CG-SD 4.16Å; L237-M241 VanDerWaalsContact O-CG 3.3Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.13Å
238H98.3Very high97.1Very high6 Ų643.2 Ų43.23%0.02820%0.202CC..Hα-helixtrans-61-39174.2-65.5156.4000112.2E143 A144 Q234 Q235 M241 K242 E262 L266E143-H238 PolarHBondContact N-ND1 3.05Å; E143-H238 VanDerWaalsContact N-ND1 3.2Å; E143-H238 WeakPolarHBondContact O-CB 3.47Å; E143-H238 PolarHBondContact O-ND1 2.73Å; A144-H238 HydrophobicContact CB-CB 4.29Å; Q234-H238 PolarHBondContact NE2-NE2 2.98Å; Q234-H238 VanDerWaalsContact O-CG 3.29Å; Q234-H238 PolarHBondContact O-N 3.21Å; Q234-H238 PolarHBondContact O-ND1 3.43Å; Q235-H238 PolarHBondContact O-N 3.35Å; H238-M241 PolarHBondContact O-N 2.85Å; H238-K242 WeakPolarHBondContact O-CB 3.36Å; H238-K242 PolarHBondContact O-N 3.47Å; H238-E262 IonicContact NE2-OE1 2.72Å; H238-L266 HydrophobicContact CB-CD1 3.88Å; H238-L266 HydrophobicContact CB-CD2 4.4Å
239A98.3Very high97.1Very high8 Ų841.8 Ų41.87%0.06619%0.194CC..Hα-helixtrans-63.9-40.817500000112A144 A145 F148 Q235 E236 L237 K242 R243A144-A239 HydrophobicContact CB-CB 4.12Å; A145-A239 HydrophobicContact CB-CB 4.44Å; F148-A239 HydrophobicContact CB-CB 3.65Å; F148-A239 HydrophobicContact CD1-CB 3.62Å; F148-A239 HydrophobicContact CD2-CB 3.97Å; F148-A239 HydrophobicContact CE1-CB 4.21Å; F148-A239 HydrophobicContact CG-CB 3.47Å; F148-A239 VanDerWaalsContact CG-CB 3.47Å; Q235-A239 WeakPolarHBondContact O-CB 3.45Å; Q235-A239 PolarHBondContact O-N 3.31Å; E236-A239 PolarHBondContact O-N 3.23Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.41Å; A239-K242 PolarHBondContact O-N 3.46Å; A239-R243 WeakPolarHBondContact O-CG 3.48Å; A239-R243 PolarHBondContact O-N 3.4Å
240A98.3Very high97.1Very high0 Ų041.5 Ų41.50%019%0.192CC..Hα-helixtrans-65-44.1174.100000112F148 W150 F153 L171 E236 L237 K242 R243 C244F148-A240 HydrophobicContact CE1-CB 4.28Å; F148-A240 HydrophobicContact CE2-CB 4.29Å; F148-A240 HydrophobicContact CZ-CB 3.64Å; W150-A240 HydrophobicContact CZ3-CB 4.15Å; F153-A240 HydrophobicContact CD2-CB 4.45Å; F153-A240 HydrophobicContact CE1-CB 4.27Å; F153-A240 HydrophobicContact CE2-CB 4.11Å; F153-A240 HydrophobicContact CZ-CB 4.02Å; L171-A240 HydrophobicContact CD2-CB 4.3Å; E236-A240 WeakPolarHBondContact O-CB 3.4Å; E236-A240 PolarHBondContact O-N 3.19Å; L237-A240 WeakPolarHBondContact O-CB 3.3Å; L237-A240 PolarHBondContact O-N 3.26Å; A240-K242 VanDerWaalsContact C-N 3.35Å; A240-K242 PolarHBondContact O-N 2.94Å; A240-R243 PolarHBondContact O-N 2.85Å; A240-C244 PolarHBondContact O-N 2.85Å
241M98.6Very high97.3Very high0 Ų036.1 Ų36.10%017%0.167CC..Hα-helixtrans-58.3-46.3174.9-71.3170.578.900111L171 V173 L237 H238 R243 C244 V247 A259 E262 A263 L266 V268L171-M241 HydrophobicContact CD2-CB 4.4Å; L171-M241 HydrophobicContact CD2-CG 3.71Å; V173-M241 HydrophobicContact CG2-CG 4.22Å; V173-M241 HydrophobicContact CG2-SD 4.33Å; L237-M241 HydrophobicContact CD1-CG 4.43Å; L237-M241 HydrophobicContact CG-SD 4.16Å; L237-M241 VanDerWaalsContact O-CG 3.3Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.13Å; H238-M241 PolarHBondContact O-N 2.85Å; M241-R243 PolarHBondContact O-N 3.21Å; M241-C244 PolarHBondContact O-N 3.2Å; M241-C244 VanDerWaalsContact O-N 3.16Å; M241-C244 PolarHBondContact O-SG 3.27Å; M241-V247 HydrophobicContact CB-CG2 4.23Å; M241-V247 HydrophobicContact CE-CG1 4.27Å; M241-V247 HydrophobicContact CE-CG2 3.8Å; M241-V247 HydrophobicContact CG-CG2 4.06Å; M241-A259 WeakPolarHBondContact CE-O 3.24Å; M241-E262 HydrophobicContact CE-CB 3.89Å; M241-A263 HydrophobicContact CE-CB 3.73Å; M241-L266 HydrophobicContact CB-CD1 3.8Å; M241-L266 HydrophobicContact CE-CD1 4.42Å; M241-L266 HydrophobicContact SD-CD1 4.21Å; M241-V268 VanDerWaalsContact O-CG2 3.29Å; M241-V268 WeakPolarHBondContact O-CG2 3.2Å
242K97.8Very high97.5Very high136 Ų13636.2 Ų36.259%0.59117%0.172SC*.Hα-helixtrans-63.5-24.8-179.9-166.5175-178.2178.40113.7H238 A239 A240H238-K242 WeakPolarHBondContact O-CB 3.36Å; H238-K242 PolarHBondContact O-N 3.47Å; A239-K242 PolarHBondContact O-N 3.46Å; A240-K242 VanDerWaalsContact C-N 3.35Å; A240-K242 PolarHBondContact O-N 2.94Å
243R97.1Very high97.5Very high164 Ų16435 Ų3562%0.61917%0.17SC*.Hα-helixtrans-91.7-18178.4-68.7-76.1-173.3149.32113.1F148 W150 A239 A240 M241F148-R243 HydrophobicContact CE1-CG 4.34Å; W150-R243 HydrophobicContact CD2-CB 3.86Å; W150-R243 HydrophobicContact CD2-CG 4.41Å; W150-R243 HydrophobicContact CE3-CB 3.82Å; W150-R243 HydrophobicContact CE3-CG 4.4Å; W150-R243 HydrophobicContact CG-CB 4.46Å; W150-R243 HydrophobicContact CH2-CB 4.08Å; W150-R243 HydrophobicContact CZ2-CB 4.16Å; W150-R243 HydrophobicContact CZ3-CB 3.92Å; A239-R243 WeakPolarHBondContact O-CG 3.48Å; A239-R243 PolarHBondContact O-N 3.4Å; A240-R243 PolarHBondContact O-N 2.85Å; M241-R243 PolarHBondContact O-N 3.21Å
244C98.3Very high97.4Very high14 Ų1433.5 Ų33.510%0.09516%0.157CC..SBendtrans-75.4163.4-179.184.50000111.5W150 V169 L171 A240 M241 A246W150-C244 HydrophobicContact CH2-CB 4.39Å; V169-C244 HydrophobicContact CB-CB 4.15Å; V169-C244 HydrophobicContact CG1-CB 4.07Å; V169-C244 WeakPolarHBondContact O-CB 3.24Å; L171-C244 HydrophobicContact CB-CB 3.97Å; A240-C244 PolarHBondContact O-N 2.85Å; M241-C244 PolarHBondContact O-N 3.2Å; M241-C244 VanDerWaalsContact O-N 3.16Å; M241-C244 PolarHBondContact O-SG 3.27Å; C244-A246 VanDerWaalsContact SG-C 3.51Å; C244-A246 PolarHBondContact SG-O 2.96Å; C244-A246 VanDerWaalsContact SG-O 3.34Å
245F98.6Very high97.3Very high31 Ų3131.1 Ų31.114%0.13615%0.148CC..SBendtrans-74.6-42.3177177.7-98.9000111.8R168 V169 F170 P269 L304 L305R168-F245 HydrophobicContact CB-CB 4.11Å; R168-F245 HydrophobicContact CB-CG 4.17Å; R168-F245 HydrophobicContact CG-CD2 4.31Å; R168-F245 HydrophobicContact CG-CG 4.45Å; V169-F245 WeakPolarHBondContact O-CB 3.33Å; V169-F245 PolarHBondContact O-N 3.25Å; F170-F245 HydrophobicContact CD1-CD1 4.45Å; F170-F245 AromaticContact CE1-CD1 3.71Å; F170-F245 HydrophobicContact CE1-CD1 3.71Å; F170-F245 HydrophobicContact CE1-CE1 4Å; F170-F245 AromaticContact CE2-CD1 3.96Å; F170-F245 HydrophobicContact CE2-CD1 3.96Å; F170-F245 AromaticContact CZ-CD1 3.4Å; F170-F245 HydrophobicContact CZ-CD1 3.4Å; F170-F245 AromaticContact CZ-CE1 3.66Å; F170-F245 HydrophobicContact CZ-CE1 3.66Å; F245-P269 WeakPolarHBondContact O-CD 3.43Å; F245-L304 HydrophobicContact CE1-CB 4.02Å; F245-L304 HydrophobicContact CZ-CB 3.93Å; F245-L305 HydrophobicContact CD2-CD2 4.33Å; F245-L305 HydrophobicContact CE1-CD2 3.87Å; F245-L305 HydrophobicContact CE1-CG 4.03Å; F245-L305 HydrophobicContact CE2-CD2 3.58Å; F245-L305 HydrophobicContact CE2-CG 4.42Å; F245-L305 HydrophobicContact CZ-CB 4.47Å; F245-L305 HydrophobicContact CZ-CD2 3.31Å; F245-L305 HydrophobicContact CZ-CG 3.67Å
246A98.8Very high97.1Very high0 Ų027.9 Ų27.90%013%0.133CC..EExtended strand (participates in β ladder)trans-154.3148.9176.600000110.9V169 F170 L171 C244 P269 L271V169-A246 PolarHBondContact O-N 2.99Å; F170-A246 WeakPolarHBondContact CA-O 3.48Å; F170-A246 HydrophobicContact CD1-CB 3.97Å; F170-A246 HydrophobicContact CE1-CB 4.1Å; L171-A246 PolarHBondContact N-O 3.42Å; C244-A246 VanDerWaalsContact SG-C 3.51Å; C244-A246 PolarHBondContact SG-O 2.96Å; C244-A246 VanDerWaalsContact SG-O 3.34Å; A246-P269 CarbonylContact C-O 3.16Å; A246-P269 WeakPolarHBondContact CA-O 3.49Å; A246-P269 HydrophobicContact CB-CB 4.22Å; A246-L271 HydrophobicContact CB-CD1 4.1Å
247V98.9Very high97Very high1 Ų125.2 Ų25.21%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-91.9135.7168.5172.30000109.1L171 M241 A263 V268 P269 V270 L271L171-V247 WeakPolarHBondContact O-CA 3.49Å; M241-V247 HydrophobicContact CB-CG2 4.23Å; M241-V247 HydrophobicContact CE-CG1 4.27Å; M241-V247 HydrophobicContact CE-CG2 3.8Å; M241-V247 HydrophobicContact CG-CG2 4.06Å; V247-A263 HydrophobicContact CB-CB 3.63Å; V247-A263 HydrophobicContact CG1-CB 3.97Å; V247-A263 HydrophobicContact CG2-CB 3.67Å; V247-V268 HydrophobicContact CG2-CG1 3.96Å; V247-P269 PolarHBondContact N-O 2.85Å; V247-V270 WeakPolarHBondContact O-CA 3.42Å; V247-L271 PolarHBondContact O-N 2.95Å
248V98.8Very high96.9Very high2 Ų225 Ų251%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-111.2141-176.8-174.50000110.3F170 L171 L172 L185 L271 F297F170-V248 HydrophobicContact CB-CG2 3.91Å; F170-V248 HydrophobicContact CD1-CG2 4.14Å; L171-V248 PolarHBondContact O-N 3.49Å; L172-V248 HydrophobicContact CB-CB 4.44Å; L172-V248 HydrophobicContact CD1-CB 4.29Å; L172-V248 HydrophobicContact CD1-CG1 4.26Å; L172-V248 VanDerWaalsContact CD1-O 3.25Å; L172-V248 WeakPolarHBondContact CD1-O 3.42Å; L185-V248 HydrophobicContact CD1-CG1 3.59Å; V248-L271 CarbonylContact C-O 3.56Å; V248-L271 VanDerWaalsContact CA-O 3.28Å; V248-L271 WeakPolarHBondContact CA-O 3.36Å; V248-F297 HydrophobicContact CG1-CE2 3.89Å; V248-F297 HydrophobicContact CG2-CE2 3.92Å; V248-F297 HydrophobicContact CG2-CZ 4.16Å
249N98.7Very high96.8Very high6 Ų625.2 Ų25.23%0.03213%0.126CC..EExtended strand (participates in β ladder)trans-127.1116165.7-176.4-61.9000109.6S251 E254 S257 I260 L271 A272 R273 N278N249-S251 VanDerWaalsContact OD1-CB 3.32Å; N249-S251 WeakPolarHBondContact OD1-CB 3.35Å; N249-S251 PolarHBondContact OD1-N 3.48Å; N249-S251 VanDerWaalsContact OD1-N 3.1Å; N249-S251 PolarHBondContact OD1-OG 3.02Å; N249-S251 VanDerWaalsContact OD1-OG 3.06Å; N249-E254 PolarHBondContact ND2-OE1 3.38Å; N249-S257 PolarHBondContact ND2-OG 3.31Å; N249-I260 HydrophobicContact CB-CD1 3.88Å; N249-I260 HydrophobicContact CB-CG1 4.02Å; N249-L271 PolarHBondContact N-O 2.8Å; N249-A272 HydrophobicContact CB-CB 4.09Å; N249-A272 CarbonylContact O-C 3.55Å; N249-A272 WeakPolarHBondContact O-CA 3.42Å; N249-R273 PolarHBondContact O-N 2.86Å; N249-N278 PolarHBondContact OD1-ND2 2.94Å
250S98.3Very high96.8Very high1 Ų125 Ų251%0.00712%0.123CC..  trans-104.26.1-179.754.50000114.3K180 D181 R273K180-S250 PolarHBondContact O-OG 2.9Å; K180-S250 VanDerWaalsContact O-OG 3.05Å; D181-S250 WeakPolarHBondContact O-CB 3.43Å; D181-S250 PolarHBondContact O-OG 3.19Å; S250-R273 WeakPolarHBondContact O-CD 3.28Å; S250-R273 PolarHBondContact O-NH1 3.22Å
251S97.7Very high96.8Very high2 Ų225 Ų251%0.01412%0.123CC..  trans-55.5144.6-170.7-52.80000112.9V179 K180 N249 E254 R273 I275V179-S251 WeakPolarHBondContact O-CA 3.38Å; K180-S251 VanDerWaalsContact CD-OG 3.26Å; K180-S251 WeakPolarHBondContact CD-OG 3.37Å; N249-S251 VanDerWaalsContact OD1-CB 3.32Å; N249-S251 WeakPolarHBondContact OD1-CB 3.35Å; N249-S251 PolarHBondContact OD1-N 3.48Å; N249-S251 VanDerWaalsContact OD1-N 3.1Å; N249-S251 PolarHBondContact OD1-OG 3.02Å; N249-S251 VanDerWaalsContact OD1-OG 3.06Å; S251-E254 PolarHBondContact OG-OE1 2.85Å; S251-E254 VanDerWaalsContact OG-OE1 3.09Å; S251-R273 WeakPolarHBondContact O-CD 3.37Å; S251-I275 WeakPolarHBondContact O-CD1 3.26Å
252V96.9Very high96.8Very high69 Ų6925.8 Ų25.842%0.41813%0.127SC..SBendtrans-80.3-26.1171.5-67.40000112.3V179 D181V179-V252 HydrophobicContact CB-CG2 4.37Å; V179-V252 HydrophobicContact CG2-CG2 3.93Å; V179-V252 VanDerWaalsContact O-CG2 3.23Å; V179-V252 WeakPolarHBondContact O-CG2 3.29Å; V179-V252 PolarHBondContact O-N 3.46Å; D181-V252 HydrophobicContact CB-CG1 4.13Å
253S94.7Very high96.9Very high18 Ų1819.3 Ų19.313%0.12610%0.099CC..  trans-149.5132.9-178.2-178.80000109.8N89 E90N89-S253 VanDerWaalsContact CB-OG 3.27Å; N89-S253 WeakPolarHBondContact CB-OG 3.42Å; N89-S253 PolarHBondContact ND2-OG 3.36Å; E90-S253 WeakPolarHBondContact OE1-CB 3.27Å; E90-S253 PolarHBondContact OE1-OG 2.93Å
254E93.1Very high96.9Very high19 Ų1911.6 Ų11.69%0.0897%0.07CC..  trans-142.6146179.4-75.2-78.1-155.700109.2N89 K180 N249 S251 S257 I275 G277N89-E254 PolarHBondContact ND2-O 3.09Å; K180-E254 IonicContact NZ-OE1 2.82Å; K180-E254 PolarHBondContact NZ-OE1 3.21Å; K180-E254 IonicContact NZ-OE2 2.93Å; K180-E254 PolarHBondContact NZ-OE2 3.33Å; N249-E254 PolarHBondContact ND2-OE1 3.38Å; S251-E254 PolarHBondContact OG-OE1 2.85Å; S251-E254 VanDerWaalsContact OG-OE1 3.09Å; E254-S257 WeakPolarHBondContact OE1-CB 3.23Å; E254-S257 PolarHBondContact OE1-OG 3.26Å; E254-S257 VanDerWaalsContact OE1-OG 3.07Å; E254-I275 HydrophobicContact CB-CD1 3.83Å; E254-I275 HydrophobicContact CG-CD1 3.85Å; E254-G277 WeakPolarHBondContact O-CA 3.32Å
255G90.6Very high96.9Very high7 Ų711.9 Ų11.97%0.0727%0.07CC..SBendtrans-88.7-63163.700000110.3
256M93.1Very high97Very high17 Ų1711.2 Ų11.28%0.0847%0.068CC..  trans-153.7116.3173.7177.3-178.1-7000108F114 T115 P137 Q138 A258 L261 V281F114-M256 HydrophobicContact CB-CB 4.22Å; F114-M256 HydrophobicContact CB-CE 3.88Å; F114-M256 HydrophobicContact CB-SD 4.11Å; F114-M256 WeakPolarHBondContact O-CE 3.5Å; T115-M256 HydrophobicContact CG2-CE 3.37Å; P137-M256 HydrophobicContact CB-CE 4.11Å; P137-M256 HydrophobicContact CB-SD 4.49Å; Q138-M256 HydrophobicContact CB-SD 3.97Å; Q138-M256 HydrophobicContact CG-SD 4.09Å; Q138-M256 PolarHBondContact NE2-O 2.77Å; Q138-M256 VanDerWaalsContact NE2-O 3.13Å; M256-A258 PolarHBondContact O-N 3Å; M256-L261 HydrophobicContact CG-CD1 3.81Å; M256-L261 HydrophobicContact SD-CD1 3.93Å; M256-V281 HydrophobicContact CG-CG2 4.3Å
257S94.5Very high96.9Very high9 Ų919 Ų196%0.06310%0.097CC..  trans-84.8112.7-172.2-163.50000111.4N249 E254 A259 I260 L261N249-S257 PolarHBondContact ND2-OG 3.31Å; E254-S257 WeakPolarHBondContact OE1-CB 3.23Å; E254-S257 PolarHBondContact OE1-OG 3.26Å; E254-S257 VanDerWaalsContact OE1-OG 3.07Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 3.08Å; S257-I260 PolarHBondContact O-N 2.71Å; S257-L261 PolarHBondContact O-N 3.05Å
258A94.9Very high96.9Very high15 Ų1519.3 Ų19.312%0.12410%0.099CC..Hα-helixtrans-58.5-42175.800000111.7M256 I260 L261 E262M256-A258 PolarHBondContact O-N 3Å; A258-I260 VanDerWaalsContact C-N 3.29Å; A258-I260 PolarHBondContact O-N 3.3Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 3.49Å; A258-E262 WeakPolarHBondContact O-CB 3.39Å; A258-E262 VanDerWaalsContact O-CG 3.26Å; A258-E262 WeakPolarHBondContact O-CG 3.42Å; A258-E262 PolarHBondContact O-N 3.33Å
259A97Very high96.9Very high10 Ų1019.8 Ų19.88%0.08310%0.103CC..Hα-helixtrans-59.9-35.5179.600000113.6V173 M241 S257 A263V173-A259 HydrophobicContact CB-CB 3.92Å; V173-A259 HydrophobicContact CG1-CB 4Å; M241-A259 WeakPolarHBondContact CE-O 3.24Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 3.08Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.15Å
260I98.4Very high96.9Very high3 Ų319.6 Ų19.62%0.01510%0.102CC..Hα-helixtrans-65.2-47.8174-72.4178.4000110.1N249 S257 A258 A263 M264 V270 A272 N278 V281 V282N249-I260 HydrophobicContact CB-CD1 3.88Å; N249-I260 HydrophobicContact CB-CG1 4.02Å; S257-I260 PolarHBondContact O-N 2.71Å; A258-I260 VanDerWaalsContact C-N 3.29Å; A258-I260 PolarHBondContact O-N 3.3Å; I260-A263 WeakPolarHBondContact O-CB 3.48Å; I260-A263 PolarHBondContact O-N 3.49Å; I260-M264 HydrophobicContact CG2-CE 3.83Å; I260-M264 HydrophobicContact CG2-SD 4.28Å; I260-M264 WeakPolarHBondContact O-CG 3.32Å; I260-M264 PolarHBondContact O-N 3.35Å; I260-V270 HydrophobicContact CG1-CG1 4.06Å; I260-V270 HydrophobicContact CG2-CG1 4.08Å; I260-V270 HydrophobicContact CG2-CG2 4.41Å; I260-A272 HydrophobicContact CD1-CB 3.78Å; I260-N278 HydrophobicContact CD1-CB 4.32Å; I260-N278 VanDerWaalsContact CD1-OD1 3.29Å; I260-N278 WeakPolarHBondContact CD1-OD1 2.92Å; I260-V281 HydrophobicContact CG2-CG1 3.84Å; I260-V282 HydrophobicContact CD1-CG2 4.18Å; I260-V282 HydrophobicContact CG2-CG2 3.68Å
261L98.3Very high97Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-68.7-38.8-177.8-65.4168.7000112.1I140 M256 S257 A258 A263 M264 D265 V281 Y321 V322 H326I140-L261 HydrophobicContact CD1-CB 3.54Å; I140-L261 HydrophobicContact CD1-CD1 3.85Å; I140-L261 HydrophobicContact CD1-CG 4.35Å; I140-L261 HydrophobicContact CG1-CB 3.66Å; I140-L261 HydrophobicContact CG1-CD1 3.96Å; I140-L261 HydrophobicContact CG1-CG 4.37Å; M256-L261 HydrophobicContact CG-CD1 3.81Å; M256-L261 HydrophobicContact SD-CD1 3.93Å; S257-L261 PolarHBondContact O-N 3.05Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 3.49Å; L261-A263 VanDerWaalsContact C-N 3.34Å; L261-M264 WeakPolarHBondContact O-CB 3.46Å; L261-M264 PolarHBondContact O-N 3.46Å; L261-D265 WeakPolarHBondContact O-CB 3.37Å; L261-D265 PolarHBondContact O-N 3.04Å; L261-V281 HydrophobicContact CD2-CG1 3.44Å; L261-V281 VanDerWaalsContact CD2-CG1 3.44Å; L261-V281 HydrophobicContact CG-CG1 4.17Å; L261-Y321 HydrophobicContact CD2-CE1 4.08Å; L261-V322 HydrophobicContact CD2-CG2 4.21Å; L261-H326 WeakPolarHBondContact CD2-NE2 3.4Å
262E98.6Very high97Very high17 Ų1719.4 Ų19.48%0.07910%0.101CC..Hα-helixtrans-61.8-42.1173.3-71.4165.2170.800110.8I140 T142 Q234 H238 M241 A258 D265 L266I140-E262 HydrophobicContact CG2-CG 4.48Å; T142-E262 HydrophobicContact CG2-CB 3.81Å; T142-E262 HydrophobicContact CG2-CG 3.93Å; Q234-E262 PolarHBondContact NE2-OE1 2.99Å; H238-E262 IonicContact NE2-OE1 2.72Å; M241-E262 HydrophobicContact CE-CB 3.89Å; A258-E262 WeakPolarHBondContact O-CB 3.39Å; A258-E262 VanDerWaalsContact O-CG 3.26Å; A258-E262 WeakPolarHBondContact O-CG 3.42Å; A258-E262 PolarHBondContact O-N 3.33Å; E262-D265 PolarHBondContact O-N 3.45Å; E262-L266 WeakPolarHBondContact O-CB 3.44Å; E262-L266 VanDerWaalsContact O-CG 3.27Å; E262-L266 WeakPolarHBondContact O-CG 3.36Å; E262-L266 PolarHBondContact O-N 2.73Å
263A98.8Very high97.1Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-62.3-44.2174.900000112.2M241 V247 A259 I260 L261 L266 R267 V268 V270M241-A263 HydrophobicContact CE-CB 3.73Å; V247-A263 HydrophobicContact CB-CB 3.63Å; V247-A263 HydrophobicContact CG1-CB 3.97Å; V247-A263 HydrophobicContact CG2-CB 3.67Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.15Å; I260-A263 WeakPolarHBondContact O-CB 3.48Å; I260-A263 PolarHBondContact O-N 3.49Å; L261-A263 VanDerWaalsContact C-N 3.34Å; A263-L266 CarbonylContact O-C 3.54Å; A263-L266 PolarHBondContact O-N 2.96Å; A263-R267 PolarHBondContact O-N 2.89Å; A263-R267 VanDerWaalsContact O-N 3.16Å; A263-V268 HydrophobicContact CB-CB 4.36Å; A263-V268 PolarHBondContact O-N 3.45Å; A263-V270 HydrophobicContact CB-CG2 3.65Å
264M98.7Very high97.3Very high2 Ų221.6 Ų21.61%0.0111%0.105CC..Hα-helixtrans-60.1-44.6174.3-73.5179177.900111.7I260 L261 L266 R267 V270 V281 V282 K319 Y321 V322I260-M264 HydrophobicContact CG2-CE 3.83Å; I260-M264 HydrophobicContact CG2-SD 4.28Å; I260-M264 WeakPolarHBondContact O-CG 3.32Å; I260-M264 PolarHBondContact O-N 3.35Å; L261-M264 WeakPolarHBondContact O-CB 3.46Å; L261-M264 PolarHBondContact O-N 3.46Å; M264-L266 VanDerWaalsContact C-N 3.29Å; M264-L266 PolarHBondContact O-N 3.22Å; M264-R267 PolarHBondContact O-N 2.86Å; M264-R267 VanDerWaalsContact O-N 3.1Å; M264-V270 HydrophobicContact CG-CG2 4.19Å; M264-V281 HydrophobicContact CE-CG1 4.09Å; M264-V281 HydrophobicContact SD-CG1 4.12Å; M264-V282 HydrophobicContact CE-CB 4.44Å; M264-V282 HydrophobicContact CE-CG2 3.8Å; M264-K319 WeakPolarHBondContact O-CA 3.4Å; M264-Y321 HydrophobicContact SD-CD1 4.17Å; M264-V322 HydrophobicContact CB-CG2 3.56Å; M264-V322 HydrophobicContact SD-CG2 4.35Å
265D98.6Very high97.4Very high20 Ų2021.6 Ų21.611%0.10711%0.105CC..Hα-helixtrans-62.8-36.2177.6-164.844.6000112.4I140 T142 L261 E262 R267 K319 V322I140-D265 HydrophobicContact CG2-CB 3.82Å; T142-D265 WeakPolarHBondContact CB-OD2 3.3Å; T142-D265 HydrophobicContact CG2-CB 3.83Å; T142-D265 WeakPolarHBondContact CG2-OD2 3.26Å; T142-D265 PolarHBondContact N-OD2 2.87Å; T142-D265 VanDerWaalsContact N-OD2 3.09Å; T142-D265 PolarHBondContact OG1-OD2 3.01Å; L261-D265 WeakPolarHBondContact O-CB 3.37Å; L261-D265 PolarHBondContact O-N 3.04Å; E262-D265 PolarHBondContact O-N 3.45Å; D265-R267 PolarHBondContact O-N 3.35Å; D265-K319 VanDerWaalsContact O-CD 3.27Å; D265-K319 WeakPolarHBondContact O-CD 3.44Å; D265-K319 PolarHBondContact O-NZ 3.13Å; D265-K319 IonicContact OD1-NZ 2.86Å; D265-K319 PolarHBondContact OD1-NZ 2.86Å; D265-V322 HydrophobicContact CB-CG1 4.02Å
266L98.7Very high97.5Very high18 Ų1825.1 Ų25.19%0.09413%0.127CC..THydrogen-bonded Turntrans-80.50.3176.8-70.9167.4000114T142 H238 M241 E262 A263 M264 V268T142-L266 HydrophobicContact CG2-CD1 4.2Å; T142-L266 HydrophobicContact CG2-CD2 4.42Å; T142-L266 HydrophobicContact CG2-CG 3.91Å; T142-L266 WeakPolarHBondContact OG1-CD2 3.46Å; H238-L266 HydrophobicContact CB-CD1 3.88Å; H238-L266 HydrophobicContact CB-CD2 4.4Å; M241-L266 HydrophobicContact CB-CD1 3.8Å; M241-L266 HydrophobicContact CE-CD1 4.42Å; M241-L266 HydrophobicContact SD-CD1 4.21Å; E262-L266 WeakPolarHBondContact O-CB 3.44Å; E262-L266 VanDerWaalsContact O-CG 3.27Å; E262-L266 WeakPolarHBondContact O-CG 3.36Å; E262-L266 PolarHBondContact O-N 2.73Å; A263-L266 CarbonylContact O-C 3.54Å; A263-L266 PolarHBondContact O-N 2.96Å; M264-L266 VanDerWaalsContact C-N 3.29Å; M264-L266 PolarHBondContact O-N 3.22Å; L266-V268 HydrophobicContact CB-CG2 3.95Å
267R98.6Very high97.5Very high162 Ų16224.6 Ų24.661%0.61113%0.126SC*.THydrogen-bonded Turntrans62.341.1-176.9-61.8-176.4178.5-156.1-0.9113.4A263 M264 D265 V315 K319A263-R267 PolarHBondContact O-N 2.89Å; A263-R267 VanDerWaalsContact O-N 3.16Å; M264-R267 PolarHBondContact O-N 2.86Å; M264-R267 VanDerWaalsContact O-N 3.1Å; D265-R267 PolarHBondContact O-N 3.35Å; R267-V315 HydrophobicContact CB-CG1 3.52Å; R267-V315 HydrophobicContact CG-CG1 4.23Å; R267-V315 WeakPolarHBondContact O-CG1 3.43Å; R267-K319 HydrophobicContact CG-CB 4.07Å; R267-K319 HydrophobicContact CG-CD 4.27Å; R267-K319 HydrophobicContact CG-CG 4.16Å
268V98.8Very high97.6Very high8 Ų824.2 Ų24.25%0.04812%0.123CC..  trans-109.6134.1179.4-175.30000109.8M241 V247 A263 L266 V270M241-V268 VanDerWaalsContact O-CG2 3.29Å; M241-V268 WeakPolarHBondContact O-CG2 3.2Å; V247-V268 HydrophobicContact CG2-CG1 3.96Å; A263-V268 HydrophobicContact CB-CB 4.36Å; A263-V268 PolarHBondContact O-N 3.45Å; L266-V268 HydrophobicContact CB-CG2 3.95Å; V268-V270 PolarHBondContact O-N 2.91Å
269P98.8Very high97.7Very high12 Ų1225.6 Ų25.68%0.07813%0.134CC..  trans-56.1139.1175.4-23.832.5000112.3F245 A246 V247 L304 R311 V315F245-P269 WeakPolarHBondContact O-CD 3.43Å; A246-P269 CarbonylContact C-O 3.16Å; A246-P269 WeakPolarHBondContact CA-O 3.49Å; A246-P269 HydrophobicContact CB-CB 4.22Å; V247-P269 PolarHBondContact N-O 2.85Å; P269-L304 HydrophobicContact CB-CD1 3.93Å; P269-L304 HydrophobicContact CB-CD2 4.4Å; P269-R311 HydrophobicContact CG-CG 3.84Å; P269-V315 HydrophobicContact CB-CG2 4.42Å; P269-V315 HydrophobicContact CG-CG2 3.67Å
270V98.9Very high97.5Very high2 Ų227.4 Ų27.41%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-109.7129.9176.4173.40000110.5V247 I260 A263 M264 V268 A272 V282 L289V247-V270 WeakPolarHBondContact O-CA 3.42Å; I260-V270 HydrophobicContact CG1-CG1 4.06Å; I260-V270 HydrophobicContact CG2-CG1 4.08Å; I260-V270 HydrophobicContact CG2-CG2 4.41Å; A263-V270 HydrophobicContact CB-CG2 3.65Å; M264-V270 HydrophobicContact CG-CG2 4.19Å; V268-V270 PolarHBondContact O-N 2.91Å; V270-A272 HydrophobicContact CG1-CB 4.06Å; V270-V282 HydrophobicContact CG1-CG2 4.11Å; V270-L289 PolarHBondContact O-N 2.82Å
271L98.9Very high97.3Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-113.3113.9165.4-74.8158.8000108.3F170 A246 V247 V248 N249 L289 F291 F297 Q300 S301 L304F170-L271 HydrophobicContact CD1-CD1 3.97Å; F170-L271 HydrophobicContact CE1-CD1 3.7Å; A246-L271 HydrophobicContact CB-CD1 4.1Å; V247-L271 PolarHBondContact O-N 2.95Å; V248-L271 CarbonylContact C-O 3.56Å; V248-L271 VanDerWaalsContact CA-O 3.28Å; V248-L271 WeakPolarHBondContact CA-O 3.36Å; N249-L271 PolarHBondContact N-O 2.8Å; L271-L289 WeakPolarHBondContact CA-O 3.48Å; L271-L289 HydrophobicContact CD2-CB 3.75Å; L271-L289 HydrophobicContact CD2-CD1 4.26Å; L271-F291 HydrophobicContact CB-CD1 4.43Å; L271-F291 HydrophobicContact CB-CE1 4.23Å; L271-F297 HydrophobicContact CB-CD2 4.25Å; L271-F297 HydrophobicContact CB-CE2 3.88Å; L271-F297 HydrophobicContact CD1-CD2 4.4Å; L271-F297 HydrophobicContact CD1-CE2 3.7Å; L271-F297 HydrophobicContact CD1-CZ 4.13Å; L271-F297 HydrophobicContact CG-CE2 4.3Å; L271-Q300 HydrophobicContact CD2-CB 3.49Å; L271-Q300 VanDerWaalsContact CD2-CB 3.49Å; L271-S301 WeakPolarHBondContact CD1-OG 3.38Å; L271-L304 HydrophobicContact CD1-CD1 3.95Å; L271-L304 HydrophobicContact CD2-CD1 4.21Å; L271-L304 HydrophobicContact CG-CD1 3.95Å
272A98.8Very high97.3Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-128.4142.4-175.900000112.3N249 I260 V270 N274 N278 V282 L289 L290 F291N249-A272 HydrophobicContact CB-CB 4.09Å; N249-A272 CarbonylContact O-C 3.55Å; N249-A272 WeakPolarHBondContact O-CA 3.42Å; I260-A272 HydrophobicContact CD1-CB 3.78Å; V270-A272 HydrophobicContact CG1-CB 4.06Å; A272-N274 PolarHBondContact O-N 2.9Å; A272-N278 HydrophobicContact CB-CB 4.1Å; A272-V282 HydrophobicContact CB-CG2 4.24Å; A272-L289 PolarHBondContact N-O 3.43Å; A272-L290 HydrophobicContact CB-CD2 4.08Å; A272-L290 CarbonylContact O-C 3.57Å; A272-L290 VanDerWaalsContact O-CA 3.23Å; A272-L290 WeakPolarHBondContact O-CA 3.33Å; A272-L290 WeakPolarHBondContact O-CD2 3.49Å; A272-F291 VanDerWaalsContact O-CD1 3.3Å; A272-F291 WeakPolarHBondContact O-CD1 3.41Å; A272-F291 PolarHBondContact O-N 3.02Å
273R98.6Very high97.2Very high50 Ų5032.3 Ų32.319%0.18917%0.168CC..EExtended strand (participates in β ladder)trans-59.7137.7173.6-164.2178.4-174.8165.2-1.8109.7D181 N249 S250 S251 I275 N278 F291D181-R273 IonicContact OD2-NH1 2.71Å; D181-R273 PolarHBondContact OD2-NH1 3.14Å; N249-R273 PolarHBondContact O-N 2.86Å; S250-R273 WeakPolarHBondContact O-CD 3.28Å; S250-R273 PolarHBondContact O-NH1 3.22Å; S251-R273 WeakPolarHBondContact O-CD 3.37Å; R273-I275 VanDerWaalsContact C-N 3.26Å; R273-I275 HydrophobicContact CG-CG2 4.19Å; R273-I275 PolarHBondContact O-N 3.34Å; R273-N278 VanDerWaalsContact O-CB 3.26Å; R273-N278 WeakPolarHBondContact O-CB 3.41Å; R273-N278 PolarHBondContact O-ND2 3.14Å; R273-F291 CarbonylContact C-O 3.59Å; R273-F291 VanDerWaalsContact CA-O 3.26Å; R273-F291 WeakPolarHBondContact CA-O 3.47Å; R273-F291 HydrophobicContact CB-CE2 3.98Å; R273-F291 HydrophobicContact CB-CZ 4.07Å; R273-F291 HydrophobicContact CG-CE2 4.2Å
274N98.3Very high97.2Very high83 Ų8336.4 Ų36.444%0.44419%0.187SC..  trans-75.977.2-178.8-171.514.7000110.8A272 L290 F291A272-N274 PolarHBondContact O-N 2.9Å; N274-L290 HydrophobicContact CB-CB 4.15Å; N274-F291 PolarHBondContact N-O 3.33Å
275I96.1Very high97.2Very high18 Ų1836.9 Ų36.99%0.09219%0.193CC..  trans-117.6157.4173.461.3163.9000109.3S251 E254 R273 G277 N278 A279S251-I275 WeakPolarHBondContact O-CD1 3.26Å; E254-I275 HydrophobicContact CB-CD1 3.83Å; E254-I275 HydrophobicContact CG-CD1 3.85Å; R273-I275 VanDerWaalsContact C-N 3.26Å; R273-I275 HydrophobicContact CG-CG2 4.19Å; R273-I275 PolarHBondContact O-N 3.34Å; I275-G277 VanDerWaalsContact C-N 3.31Å; I275-G277 PolarHBondContact O-N 3.22Å; I275-G277 VanDerWaalsContact O-N 3.16Å; I275-N278 HydrophobicContact CG1-CB 3.85Å; I275-N278 WeakPolarHBondContact CG1-ND2 3.43Å; I275-N278 PolarHBondContact O-N 3.3Å; I275-N278 VanDerWaalsContact O-N 3.11Å; I275-A279 WeakPolarHBondContact O-CB 3.44Å; I275-A279 PolarHBondContact O-N 3.08Å
276P92.8Very high97.2Very high81 Ų8139.3 Ų39.353%0.52621%0.208SC..Hα-helixtrans-48.2-45.4-178.1-34.539000115.4S280P276-S280 PolarHBondContact O-N 2.91Å; P276-S280 VanDerWaalsContact O-N 3.07Å
277G92.4Very high97.2Very high7 Ų738.9 Ų38.97%0.07221%0.206CC..Hα-helixtrans-63.8-46179.600000113E254 I275 S280E254-G277 WeakPolarHBondContact O-CA 3.32Å; I275-G277 VanDerWaalsContact C-N 3.31Å; I275-G277 PolarHBondContact O-N 3.22Å; I275-G277 VanDerWaalsContact O-N 3.16Å; G277-S280 PolarHBondContact O-N 3.06Å; G277-S280 PolarHBondContact O-OG 3.1Å
278N96.8Very high97.2Very high1 Ų131.1 Ų31.11%0.00518%0.177CC..Hα-helixtrans-68-42.4178.1-71-13.7000111.6N249 I260 A272 R273 I275 S280 V281 V282 L290N249-N278 PolarHBondContact OD1-ND2 2.94Å; I260-N278 HydrophobicContact CD1-CB 4.32Å; I260-N278 VanDerWaalsContact CD1-OD1 3.29Å; I260-N278 WeakPolarHBondContact CD1-OD1 2.92Å; A272-N278 HydrophobicContact CB-CB 4.1Å; R273-N278 VanDerWaalsContact O-CB 3.26Å; R273-N278 WeakPolarHBondContact O-CB 3.41Å; R273-N278 PolarHBondContact O-ND2 3.14Å; I275-N278 HydrophobicContact CG1-CB 3.85Å; I275-N278 WeakPolarHBondContact CG1-ND2 3.43Å; I275-N278 PolarHBondContact O-N 3.3Å; I275-N278 VanDerWaalsContact O-N 3.11Å; N278-S280 PolarHBondContact O-N 3.15Å; N278-V281 PolarHBondContact O-N 3.15Å; N278-V281 VanDerWaalsContact O-N 3.09Å; N278-V282 WeakPolarHBondContact O-CB 3.4Å; N278-V282 PolarHBondContact O-N 2.72Å; N278-L290 HydrophobicContact CB-CD2 4.38Å
279A96.1Very high97.2Very high43 Ų4330.8 Ų30.836%0.35517%0.174SC..Hα-helixtrans-67.3-19.9179.100000113.5I275 V281 L290I275-A279 WeakPolarHBondContact O-CB 3.44Å; I275-A279 PolarHBondContact O-N 3.08Å; A279-V281 PolarHBondContact O-N 3.26Å; A279-L290 HydrophobicContact CB-CD1 4.01Å
280S92.8Very high97.2Very high48 Ų4830.8 Ų30.834%0.33617%0.174SC..THydrogen-bonded Turntrans-70.4-20.2172.677.70000113.7P276 G277 N278P276-S280 PolarHBondContact O-N 2.91Å; P276-S280 VanDerWaalsContact O-N 3.07Å; G277-S280 PolarHBondContact O-N 3.06Å; G277-S280 PolarHBondContact O-OG 3.1Å; N278-S280 PolarHBondContact O-N 3.15Å
281V94.5Very high97.2Very high3 Ų330.7 Ų30.72%0.01817%0.173CC..THydrogen-bonded Turntrans-113.5-43.2-178.1174.20000111.3M256 I260 L261 M264 N278 A279 T287 Y321M256-V281 HydrophobicContact CG-CG2 4.3Å; I260-V281 HydrophobicContact CG2-CG1 3.84Å; L261-V281 HydrophobicContact CD2-CG1 3.44Å; L261-V281 VanDerWaalsContact CD2-CG1 3.44Å; L261-V281 HydrophobicContact CG-CG1 4.17Å; M264-V281 HydrophobicContact CE-CG1 4.09Å; M264-V281 HydrophobicContact SD-CG1 4.12Å; N278-V281 PolarHBondContact O-N 3.15Å; N278-V281 VanDerWaalsContact O-N 3.09Å; A279-V281 PolarHBondContact O-N 3.26Å; V281-T287 PolarHBondContact O-OG1 2.99Å; V281-Y321 HydrophobicContact CG1-CE1 3.91Å
282V98.1Very high97.2Very high2 Ų233.8 Ų33.81%0.01220%0.195CC..  trans-93.5108.9-177-175.40000109.9I260 M264 V270 A272 N278 H284 L290I260-V282 HydrophobicContact CD1-CG2 4.18Å; I260-V282 HydrophobicContact CG2-CG2 3.68Å; M264-V282 HydrophobicContact CE-CB 4.44Å; M264-V282 HydrophobicContact CE-CG2 3.8Å; V270-V282 HydrophobicContact CG1-CG2 4.11Å; A272-V282 HydrophobicContact CB-CG2 4.24Å; N278-V282 WeakPolarHBondContact O-CB 3.4Å; N278-V282 PolarHBondContact O-N 2.72Å; V282-H284 PolarHBondContact O-N 3.42Å; V282-L290 HydrophobicContact CB-CD2 3.83Å; V282-L290 HydrophobicContact CB-CG 4.35Å; V282-L290 HydrophobicContact CG1-CD2 3.86Å; V282-L290 HydrophobicContact CG1-CG 4.04Å
283K98.3Very high97.2Very high119 Ų11935.6 Ų35.652%0.51721%0.208SC..  trans-85.3107.6170-64.2179.8-176.5175.30108.3G285 V286 T287K283-G285 PolarHBondContact O-N 2.89Å; K283-V286 HydrophobicContact CB-CB 3.87Å; K283-V286 HydrophobicContact CB-CG1 4.45Å; K283-V286 WeakPolarHBondContact O-CA 3.25Å; K283-V286 PolarHBondContact O-N 3.42Å; K283-T287 HydrophobicContact CB-CG2 4.42Å; K283-T287 PolarHBondContact N-OG1 3.3Å; K283-T287 PolarHBondContact O-N 3.47Å
284H98.6Very high97.2Very high85 Ų8534.4 Ų34.439%0.39421%0.207SC..BIsolated β-bridgetrans-51.4127-175.5-178.393.9000112.2V282 V286 G288 L290 Q300V282-H284 PolarHBondContact O-N 3.42Å; H284-V286 PolarHBondContact O-N 2.87Å; H284-G288 CarbonylContact C-O 3.43Å; H284-G288 WeakPolarHBondContact CA-O 3.41Å; H284-L290 HydrophobicContact CB-CB 4.23Å; H284-L290 HydrophobicContact CB-CD1 4.18Å; H284-L290 HydrophobicContact CB-CG 4.21Å; H284-L290 PolarHBondContact CE1-O 2.84Å; H284-L290 PolarHBondContact ND1-N 3.34Å; H284-L290 PolarHBondContact ND1-O 2.9Å; H284-Q300 PolarHBondContact CE1-NE2 2.78Å
285G98.3Very high97.1Very high13 Ų1336.9 Ų36.913%0.13422%0.215CC..THydrogen-bonded Turntrans74.6-5.8-178.700000114.8K283 G288K283-G285 PolarHBondContact O-N 2.89Å; G285-G288 PolarHBondContact N-O 2.9Å
286V98.6Very high97.2Very high70 Ų7039 Ų3942%0.42423%0.225SC..THydrogen-bonded Turntrans-111.9-58.1-176.3-177.70000111.5K283 H284 V314 N317K283-V286 HydrophobicContact CB-CB 3.87Å; K283-V286 HydrophobicContact CB-CG1 4.45Å; K283-V286 WeakPolarHBondContact O-CA 3.25Å; K283-V286 PolarHBondContact O-N 3.42Å; H284-V286 PolarHBondContact O-N 2.87Å; V286-V314 WeakPolarHBondContact O-CA 3.46Å; V286-N317 WeakPolarHBondContact O-CB 3.36Å; V286-N317 PolarHBondContact O-ND2 3.17Å
287T98.5Very high97.5Very high9 Ų935.1 Ų35.16%0.05520%0.2CC..THydrogen-bonded Turntrans-111.2-7.1179.461.20000113.2V281 K283 N317V281-T287 PolarHBondContact O-OG1 2.99Å; K283-T287 HydrophobicContact CB-CG2 4.42Å; K283-T287 PolarHBondContact N-OG1 3.3Å; K283-T287 PolarHBondContact O-N 3.47Å; T287-N317 HydrophobicContact CG2-CB 4.11Å
288G98.8Very high97.8Very high0 Ų035.8 Ų35.80%020%0.201CC..BIsolated β-bridgetrans175.6-171.7177.400000109.8H284 G285H284-G288 CarbonylContact C-O 3.43Å; H284-G288 WeakPolarHBondContact CA-O 3.41Å; G285-G288 PolarHBondContact N-O 2.9Å
289L98.9Very high97.9Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-118.2129.8178.3-64179.2000110.4V270 L271 A272 Q300 L304 L310V270-L289 PolarHBondContact O-N 2.82Å; L271-L289 WeakPolarHBondContact CA-O 3.48Å; L271-L289 HydrophobicContact CD2-CB 3.75Å; L271-L289 HydrophobicContact CD2-CD1 4.26Å; A272-L289 PolarHBondContact N-O 3.43Å; L289-Q300 HydrophobicContact CB-CB 4.11Å; L289-Q300 HydrophobicContact CB-CG 4.28Å; L289-Q300 HydrophobicContact CD1-CB 3.86Å; L289-Q300 WeakPolarHBondContact CD1-O 3.44Å; L289-L304 HydrophobicContact CD1-CD1 4.1Å; L289-L304 HydrophobicContact CD1-CD2 3.69Å; L289-L304 HydrophobicContact CD1-CG 3.58Å; L289-L304 HydrophobicContact CG-CD2 4.43Å; L289-L310 HydrophobicContact CD1-CD2 4.31Å; L289-L310 HydrophobicContact CD2-CD1 4.5Å; L289-L310 HydrophobicContact CD2-CD2 4.47Å
290L98.9Very high98Very high12 Ų1238.9 Ų38.96%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-94.7146.4172.5-65.8177.9000110.8A272 N274 N278 A279 V282 H284A272-L290 HydrophobicContact CB-CD2 4.08Å; A272-L290 CarbonylContact O-C 3.57Å; A272-L290 VanDerWaalsContact O-CA 3.23Å; A272-L290 WeakPolarHBondContact O-CA 3.33Å; A272-L290 WeakPolarHBondContact O-CD2 3.49Å; N274-L290 HydrophobicContact CB-CB 4.15Å; N278-L290 HydrophobicContact CB-CD2 4.38Å; A279-L290 HydrophobicContact CB-CD1 4.01Å; V282-L290 HydrophobicContact CB-CD2 3.83Å; V282-L290 HydrophobicContact CB-CG 4.35Å; V282-L290 HydrophobicContact CG1-CD2 3.86Å; V282-L290 HydrophobicContact CG1-CG 4.04Å; H284-L290 HydrophobicContact CB-CB 4.23Å; H284-L290 HydrophobicContact CB-CD1 4.18Å; H284-L290 HydrophobicContact CB-CG 4.21Å; H284-L290 PolarHBondContact CE1-O 2.84Å; H284-L290 PolarHBondContact ND1-N 3.34Å; H284-L290 PolarHBondContact ND1-O 2.9Å
291F98.8Very high98.2Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-139.4150.2174.164.7-93000112Y184 L185 L271 A272 R273 N274 E296 F297 Q300Y184-F291 HydrophobicContact CD1-CE2 4.25Å; Y184-F291 AromaticContact CE1-CE2 3.88Å; Y184-F291 HydrophobicContact CE1-CE2 3.88Å; L185-F291 HydrophobicContact CD1-CZ 4.28Å; L185-F291 HydrophobicContact CD2-CE2 4.33Å; L271-F291 HydrophobicContact CB-CD1 4.43Å; L271-F291 HydrophobicContact CB-CE1 4.23Å; A272-F291 VanDerWaalsContact O-CD1 3.3Å; A272-F291 WeakPolarHBondContact O-CD1 3.41Å; A272-F291 PolarHBondContact O-N 3.02Å; R273-F291 CarbonylContact C-O 3.59Å; R273-F291 VanDerWaalsContact CA-O 3.26Å; R273-F291 WeakPolarHBondContact CA-O 3.47Å; R273-F291 HydrophobicContact CB-CE2 3.98Å; R273-F291 HydrophobicContact CB-CZ 4.07Å; R273-F291 HydrophobicContact CG-CE2 4.2Å; N274-F291 PolarHBondContact N-O 3.33Å; F291-E296 HydrophobicContact CB-CB 4.1Å; F291-E296 HydrophobicContact CB-CG 4Å; F291-F297 HydrophobicContact CB-CB 4.24Å; F291-F297 HydrophobicContact CD1-CB 4.17Å; F291-F297 AromaticContact CD1-CD2 3.79Å; F291-F297 HydrophobicContact CD1-CD2 3.79Å; F291-F297 HydrophobicContact CD1-CG 4.5Å; F291-F297 HydrophobicContact CD2-CB 3.78Å; F291-F297 AromaticContact CE1-CD2 3.56Å; F291-F297 HydrophobicContact CE1-CD2 3.56Å; F291-F297 HydrophobicContact CE1-CE2 4.32Å; F291-F297 HydrophobicContact CE1-CG 4.5Å; F291-F297 HydrophobicContact CE2-CB 4.16Å; F291-F297 HydrophobicContact CE2-CD2 4.37Å; F291-F297 HydrophobicContact CG-CB 3.79Å; F291-F297 HydrophobicContact CG-CD2 4.28Å; F291-F297 AromaticContact CZ-CD2 3.88Å; F291-F297 HydrophobicContact CZ-CD2 3.88Å; F291-Q300 HydrophobicContact CB-CG 4.47Å
292S98.1Very high98.4Very high66 Ų6640.8 Ų40.846%0.46221%0.212SC..SBendtrans-112.3-14.6-176.5-430000112.8Y184 E296Y184-S292 PolarHBondContact OH-O 3.07Å; S292-E296 WeakPolarHBondContact CA-OE2 3.41Å; S292-E296 VanDerWaalsContact CB-OE2 3.24Å; S292-E296 WeakPolarHBondContact CB-OE2 3.34Å; S292-E296 PolarHBondContact N-OE2 2.78Å; S292-E296 PolarHBondContact OG-OE2 3.37Å; S292-E296 VanDerWaalsContact OG-OE2 3.08Å
293S98.5Very high98.4Very high38 Ų3844.1 Ų44.127%0.26622%0.224SC..SBendtrans-143.1163.9178.170.60000111.9Y184 Q295 E296 F297Y184-S293 WeakPolarHBondContact OH-CA 3.31Å; S293-Q295 PolarHBondContact O-N 3.2Å; S293-E296 PolarHBondContact O-N 3.35Å; S293-E296 PolarHBondContact OG-N 3.02Å; S293-E296 VanDerWaalsContact OG-N 3.07Å; S293-F297 PolarHBondContact O-N 2.89Å
294P98.4Very high98.4Very high25 Ų2538.5 Ų38.516%0.16220%0.2CC..Hα-helixtrans-59.3-33.8172.8-24.736.7000113Y184 L185 V188 F297 M298Y184-P294 HydrophobicContact CE1-CG 4.13Å; Y184-P294 HydrophobicContact CE2-CG 4.4Å; Y184-P294 WeakPolarHBondContact OH-CD 3.27Å; L185-P294 HydrophobicContact CD2-CB 4.11Å; L185-P294 HydrophobicContact CD2-CG 4.44Å; V188-P294 HydrophobicContact CB-CB 3.99Å; V188-P294 HydrophobicContact CG1-CB 3.84Å; V188-P294 HydrophobicContact CG2-CB 4.38Å; P294-F297 WeakPolarHBondContact O-CB 3.3Å; P294-F297 PolarHBondContact O-N 3.35Å; P294-M298 WeakPolarHBondContact O-CG 3.47Å; P294-M298 PolarHBondContact O-N 3.41Å
295Q97.8Very high98.3Very high134 Ų13436.8 Ų36.863%0.62619%0.193SC*.Hα-helixtrans-70.1-38.9176.4-65.273.621.300111.6S293 F297 M298 H299S293-Q295 PolarHBondContact O-N 3.2Å; Q295-F297 VanDerWaalsContact C-N 3.35Å; Q295-M298 WeakPolarHBondContact O-CB 3.45Å; Q295-M298 PolarHBondContact O-N 3.32Å; Q295-H299 PolarHBondContact O-N 3.16Å
296E98.5Very high98.3Very high62 Ų6241.2 Ų41.229%0.2922%0.222SC..Hα-helixtrans-67.5-39173.3-169.9178.1-17800110.8F291 S292 S293 M298 H299 Q300F291-E296 HydrophobicContact CB-CB 4.1Å; F291-E296 HydrophobicContact CB-CG 4Å; S292-E296 WeakPolarHBondContact CA-OE2 3.41Å; S292-E296 VanDerWaalsContact CB-OE2 3.24Å; S292-E296 WeakPolarHBondContact CB-OE2 3.34Å; S292-E296 PolarHBondContact N-OE2 2.78Å; S292-E296 PolarHBondContact OG-OE2 3.37Å; S292-E296 VanDerWaalsContact OG-OE2 3.08Å; S293-E296 PolarHBondContact O-N 3.35Å; S293-E296 PolarHBondContact OG-N 3.02Å; S293-E296 VanDerWaalsContact OG-N 3.07Å; E296-M298 VanDerWaalsContact C-N 3.27Å; E296-M298 PolarHBondContact O-N 2.82Å; E296-H299 WeakPolarHBondContact O-CB 3.49Å; E296-H299 PolarHBondContact O-N 3.05Å; E296-H299 VanDerWaalsContact O-N 3.16Å; E296-Q300 HydrophobicContact CG-CG 4.35Å; E296-Q300 WeakPolarHBondContact O-CG 3.4Å; E296-Q300 PolarHBondContact O-N 3.18Å
297F98.7Very high98.2Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-54-46.1172170-90.3000111.4F170 L185 F189 V248 L271 F291 S293 P294 Q295 Q300 S301F170-F297 AromaticContact CD1-CZ 3.9Å; F170-F297 HydrophobicContact CD1-CZ 3.9Å; F170-F297 HydrophobicContact CE1-CZ 4.3Å; L185-F297 HydrophobicContact CD1-CD1 4.23Å; L185-F297 HydrophobicContact CD1-CD2 3.75Å; L185-F297 HydrophobicContact CD1-CE1 4.26Å; L185-F297 HydrophobicContact CD1-CE2 3.75Å; L185-F297 HydrophobicContact CD1-CG 4Å; L185-F297 HydrophobicContact CD1-CZ 4.03Å; L185-F297 HydrophobicContact CD2-CB 3.91Å; L185-F297 HydrophobicContact CD2-CD1 4.03Å; L185-F297 HydrophobicContact CD2-CD2 4.32Å; L185-F297 HydrophobicContact CD2-CG 3.8Å; F189-F297 HydrophobicContact CD2-CE1 4.14Å; F189-F297 HydrophobicContact CE2-CD1 4.27Å; F189-F297 AromaticContact CE2-CE1 3.23Å; F189-F297 HydrophobicContact CE2-CE1 3.23Å; F189-F297 AromaticContact CE2-CZ 3.42Å; F189-F297 HydrophobicContact CE2-CZ 3.42Å; F189-F297 VanDerWaalsContact CE2-CZ 3.42Å; F189-F297 AromaticContact CZ-CE1 3.48Å; F189-F297 HydrophobicContact CZ-CE1 3.48Å; F189-F297 VanDerWaalsContact CZ-CE1 3.48Å; F189-F297 AromaticContact CZ-CZ 3.51Å; F189-F297 HydrophobicContact CZ-CZ 3.51Å; V248-F297 HydrophobicContact CG1-CE2 3.89Å; V248-F297 HydrophobicContact CG2-CE2 3.92Å; V248-F297 HydrophobicContact CG2-CZ 4.16Å; L271-F297 HydrophobicContact CB-CD2 4.25Å; L271-F297 HydrophobicContact CB-CE2 3.88Å; L271-F297 HydrophobicContact CD1-CD2 4.4Å; L271-F297 HydrophobicContact CD1-CE2 3.7Å; L271-F297 HydrophobicContact CD1-CZ 4.13Å; L271-F297 HydrophobicContact CG-CE2 4.3Å; F291-F297 HydrophobicContact CB-CB 4.24Å; F291-F297 HydrophobicContact CD1-CB 4.17Å; F291-F297 AromaticContact CD1-CD2 3.79Å; F291-F297 HydrophobicContact CD1-CD2 3.79Å; F291-F297 HydrophobicContact CD1-CG 4.5Å; F291-F297 HydrophobicContact CD2-CB 3.78Å; F291-F297 AromaticContact CE1-CD2 3.56Å; F291-F297 HydrophobicContact CE1-CD2 3.56Å; F291-F297 HydrophobicContact CE1-CE2 4.32Å; F291-F297 HydrophobicContact CE1-CG 4.5Å; F291-F297 HydrophobicContact CE2-CB 4.16Å; F291-F297 HydrophobicContact CE2-CD2 4.37Å; F291-F297 HydrophobicContact CG-CB 3.79Å; F291-F297 HydrophobicContact CG-CD2 4.28Å; F291-F297 AromaticContact CZ-CD2 3.88Å; F291-F297 HydrophobicContact CZ-CD2 3.88Å; S293-F297 PolarHBondContact O-N 2.89Å; P294-F297 WeakPolarHBondContact O-CB 3.3Å; P294-F297 PolarHBondContact O-N 3.35Å; Q295-F297 VanDerWaalsContact C-N 3.35Å; F297-Q300 PolarHBondContact O-N 3.2Å; F297-S301 WeakPolarHBondContact CE1-OG 3.44Å; F297-S301 WeakPolarHBondContact CZ-OG 3.35Å; F297-S301 WeakPolarHBondContact O-CB 3.35Å; F297-S301 PolarHBondContact O-N 2.93Å; F297-S301 PolarHBondContact O-OG 2.93Å
298M97.9Very high98.2Very high22 Ų2246 Ų4611%0.10824%0.241CC..Hα-helixtrans-59.7-47.8175.9-78-56.8-65.100112.4V188 W192 P294 Q295 E296 Q300 S301 Q302V188-M298 HydrophobicContact CB-CG 4.47Å; V188-M298 HydrophobicContact CG1-CG 4.41Å; V188-M298 HydrophobicContact CG2-CG 3.27Å; V188-M298 HydrophobicContact CG2-SD 3.97Å; W192-M298 HydrophobicContact CB-CE 3.56Å; W192-M298 HydrophobicContact CB-SD 3.95Å; W192-M298 HydrophobicContact CD2-CE 3.24Å; W192-M298 HydrophobicContact CD2-SD 3.66Å; W192-M298 HydrophobicContact CE3-CE 3.8Å; W192-M298 HydrophobicContact CE3-SD 3.54Å; W192-M298 VanDerWaalsContact CE3-SD 3.54Å; W192-M298 HydrophobicContact CG-CE 3.13Å; W192-M298 HydrophobicContact CG-SD 3.88Å; W192-M298 HydrophobicContact CZ2-CE 4.37Å; W192-M298 HydrophobicContact CZ3-SD 4.19Å; P294-M298 WeakPolarHBondContact O-CG 3.47Å; P294-M298 PolarHBondContact O-N 3.41Å; Q295-M298 WeakPolarHBondContact O-CB 3.45Å; Q295-M298 PolarHBondContact O-N 3.32Å; E296-M298 VanDerWaalsContact C-N 3.27Å; E296-M298 PolarHBondContact O-N 2.82Å; M298-Q300 PolarHBondContact O-N 3.05Å; M298-S301 PolarHBondContact O-N 3.2Å; M298-Q302 WeakPolarHBondContact O-CG 3.36Å; M298-Q302 PolarHBondContact O-N 2.85Å
299H98.1Very high98.2Very high100 Ų10053.3 Ų53.346%0.46328%0.275SS..Hα-helixtrans-58.7-46.5176.7178.870.6000111.9Q295 E296 S301 Q302 R303Q295-H299 PolarHBondContact O-N 3.16Å; E296-H299 WeakPolarHBondContact O-CB 3.49Å; E296-H299 PolarHBondContact O-N 3.05Å; E296-H299 VanDerWaalsContact O-N 3.16Å; H299-S301 VanDerWaalsContact C-N 3.33Å; H299-S301 PolarHBondContact O-N 3.46Å; H299-Q302 PolarHBondContact O-N 2.84Å; H299-R303 WeakPolarHBondContact O-CG 3.48Å; H299-R303 PolarHBondContact O-N 3.41Å
300Q98.6Very high98.2Very high8 Ų853.3 Ų53.34%0.03728%0.275CS..Hα-helixtrans-65.4-36.9177.5-61-48-24.200112.2L271 H284 L289 F291 E296 F297 M298 R303 L304L271-Q300 HydrophobicContact CD2-CB 3.49Å; L271-Q300 VanDerWaalsContact CD2-CB 3.49Å; H284-Q300 PolarHBondContact CE1-NE2 2.78Å; L289-Q300 HydrophobicContact CB-CB 4.11Å; L289-Q300 HydrophobicContact CB-CG 4.28Å; L289-Q300 HydrophobicContact CD1-CB 3.86Å; L289-Q300 WeakPolarHBondContact CD1-O 3.44Å; F291-Q300 HydrophobicContact CB-CG 4.47Å; E296-Q300 HydrophobicContact CG-CG 4.35Å; E296-Q300 WeakPolarHBondContact O-CG 3.4Å; E296-Q300 PolarHBondContact O-N 3.18Å; F297-Q300 PolarHBondContact O-N 3.2Å; M298-Q300 PolarHBondContact O-N 3.05Å; Q300-R303 WeakPolarHBondContact O-CB 3.43Å; Q300-R303 PolarHBondContact O-N 2.88Å; Q300-L304 PolarHBondContact O-N 3.13Å
301S98.4Very high98.2Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-64.6-43.2175.9-60.10000111.5L271 F297 M298 H299 R303 L304 L305L271-S301 WeakPolarHBondContact CD1-OG 3.38Å; F297-S301 WeakPolarHBondContact CE1-OG 3.44Å; F297-S301 WeakPolarHBondContact CZ-OG 3.35Å; F297-S301 WeakPolarHBondContact O-CB 3.35Å; F297-S301 PolarHBondContact O-N 2.93Å; F297-S301 PolarHBondContact O-OG 2.93Å; M298-S301 PolarHBondContact O-N 3.2Å; H299-S301 VanDerWaalsContact C-N 3.33Å; H299-S301 PolarHBondContact O-N 3.46Å; S301-R303 VanDerWaalsContact C-N 3.35Å; S301-R303 PolarHBondContact O-N 2.84Å; S301-L304 PolarHBondContact O-N 3.06Å; S301-L305 WeakPolarHBondContact O-CG 3.5Å; S301-L305 PolarHBondContact O-N 3.37Å; S301-L305 VanDerWaalsContact O-N 3.08Å
302Q97.6Very high98.1Very high92 Ų9261.6 Ų61.643%0.4331%0.31SS..Hα-helixtrans-62.3-40.8174.2-72.6173.6-10.900111.9M298 H299 L304 L305 S306M298-Q302 WeakPolarHBondContact O-CG 3.36Å; M298-Q302 PolarHBondContact O-N 2.85Å; H299-Q302 PolarHBondContact O-N 2.84Å; Q302-L304 PolarHBondContact O-N 3.14Å; Q302-L305 WeakPolarHBondContact O-CB 3.34Å; Q302-L305 PolarHBondContact O-N 2.78Å; Q302-L305 VanDerWaalsContact O-N 3.15Å; Q302-S306 PolarHBondContact O-N 3.33Å; Q302-S306 PolarHBondContact O-OG 2.72Å; Q302-S306 VanDerWaalsContact O-OG 3.05Å
303R98.3Very high98.2Very high72 Ų7263.9 Ų63.927%0.27231%0.309SS..Hα-helixtrans-59.3-44.9173.7-72.3178.264.9-158.77.9112H299 Q300 S301 L305 S306 D307 L310H299-R303 WeakPolarHBondContact O-CG 3.48Å; H299-R303 PolarHBondContact O-N 3.41Å; Q300-R303 WeakPolarHBondContact O-CB 3.43Å; Q300-R303 PolarHBondContact O-N 2.88Å; S301-R303 VanDerWaalsContact C-N 3.35Å; S301-R303 PolarHBondContact O-N 2.84Å; R303-L305 PolarHBondContact O-N 2.84Å; R303-S306 PolarHBondContact O-N 2.85Å; R303-D307 VanDerWaalsContact O-CB 3.24Å; R303-D307 WeakPolarHBondContact O-CB 3.29Å; R303-D307 PolarHBondContact O-N 3.01Å; R303-L310 HydrophobicContact CB-CD2 3.99Å
304L98.1Very high98.2Very high1 Ų162.2 Ų62.21%0.00530%0.297CS..Hα-helixtrans-61.8-35.2175.9-70.4177.4000112.4F245 P269 L271 L289 Q300 S301 Q302 R311 V314F245-L304 HydrophobicContact CE1-CB 4.02Å; F245-L304 HydrophobicContact CZ-CB 3.93Å; P269-L304 HydrophobicContact CB-CD1 3.93Å; P269-L304 HydrophobicContact CB-CD2 4.4Å; L271-L304 HydrophobicContact CD1-CD1 3.95Å; L271-L304 HydrophobicContact CD2-CD1 4.21Å; L271-L304 HydrophobicContact CG-CD1 3.95Å; L289-L304 HydrophobicContact CD1-CD1 4.1Å; L289-L304 HydrophobicContact CD1-CD2 3.69Å; L289-L304 HydrophobicContact CD1-CG 3.58Å; L289-L304 HydrophobicContact CG-CD2 4.43Å; Q300-L304 PolarHBondContact O-N 3.13Å; S301-L304 PolarHBondContact O-N 3.06Å; Q302-L304 PolarHBondContact O-N 3.14Å; L304-R311 HydrophobicContact CD2-CB 4.43Å; L304-R311 HydrophobicContact CD2-CG 4.42Å; L304-R311 PolarHBondContact O-NE 3.4Å; L304-R311 PolarHBondContact O-NH2 3.31Å; L304-V314 HydrophobicContact CD2-CG2 4.21Å
305L96.6Very high98.2Very high49 Ų4962.3 Ų62.326%0.25730%0.297SS..Hα-helixtrans-70.3-43.2179.5-71.9166.5000112.5R168 W192 F245 S301 Q302 R303 R311R168-L305 HydrophobicContact CG-CD2 4.08Å; W192-L305 HydrophobicContact CH2-CD1 3.78Å; W192-L305 HydrophobicContact CZ2-CD1 3.49Å; W192-L305 VanDerWaalsContact CZ2-CD1 3.49Å; F245-L305 HydrophobicContact CD2-CD2 4.33Å; F245-L305 HydrophobicContact CE1-CD2 3.87Å; F245-L305 HydrophobicContact CE1-CG 4.03Å; F245-L305 HydrophobicContact CE2-CD2 3.58Å; F245-L305 HydrophobicContact CE2-CG 4.42Å; F245-L305 HydrophobicContact CZ-CB 4.47Å; F245-L305 HydrophobicContact CZ-CD2 3.31Å; F245-L305 HydrophobicContact CZ-CG 3.67Å; S301-L305 WeakPolarHBondContact O-CG 3.5Å; S301-L305 PolarHBondContact O-N 3.37Å; S301-L305 VanDerWaalsContact O-N 3.08Å; Q302-L305 WeakPolarHBondContact O-CB 3.34Å; Q302-L305 PolarHBondContact O-N 2.78Å; Q302-L305 VanDerWaalsContact O-N 3.15Å; R303-L305 PolarHBondContact O-N 2.84Å; L305-R311 PolarHBondContact O-NH2 3.01Å; L305-R311 VanDerWaalsContact O-NH2 3.14Å
306S97.4Very high98.2Very high105 Ų10563.2 Ų63.273%0.73430%0.295SS*.Hα-helixtrans-90.6-28.5-174.460.80000114.6Q302 R303Q302-S306 PolarHBondContact O-N 3.33Å; Q302-S306 PolarHBondContact O-OG 2.72Å; Q302-S306 VanDerWaalsContact O-OG 3.05Å; R303-S306 PolarHBondContact O-N 2.85Å
307D98.3Very high98.2Very high59 Ų5961.9 Ų61.932%0.31629%0.29SS..  trans-106.694.5-176.4-172.7-16.6000110.5R303 E309 L310 R311R303-D307 VanDerWaalsContact O-CB 3.24Å; R303-D307 WeakPolarHBondContact O-CB 3.29Å; R303-D307 PolarHBondContact O-N 3.01Å; D307-E309 PolarHBondContact OD1-N 3.41Å; D307-L310 HydrophobicContact CB-CB 3.87Å; D307-L310 HydrophobicContact CB-CD2 4.46Å; D307-L310 WeakPolarHBondContact OD1-CB 3.23Å; D307-L310 PolarHBondContact OD1-N 2.94Å; D307-L310 WeakPolarHBondContact OD2-CB 3.48Å; D307-R311 PolarHBondContact O-N 2.96Å
308Q97.9Very high98.2Very high121 Ų12162 Ų6257%0.56529%0.29SS*.Hα-helixtrans-65.4-38.2178.1-179.2171.9-11.800112L310 R311 E312Q308-L310 PolarHBondContact O-N 3.37Å; Q308-R311 WeakPolarHBondContact O-CB 3.45Å; Q308-R311 PolarHBondContact O-N 3.22Å; Q308-E312 HydrophobicContact CG-CG 4.35Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.41Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CG 3.41Å; Q308-E312 PolarHBondContact O-N 2.98Å
309E98.4Very high98.3Very high154 Ų15462.5 Ų62.572%0.7229%0.292SS*.Hα-helixtrans-64.5-42.3179.6-68.1-171.7175.700111.4D307 R311 R313D307-E309 PolarHBondContact OD1-N 3.41Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 3.05Å; E309-R313 WeakPolarHBondContact O-CB 3.41Å; E309-R313 PolarHBondContact O-N 2.84Å
310L98.6Very high98.3Very high0 Ų061.9 Ų61.90%029%0.291CS..Hα-helixtrans-58.8-47.1173.1174.565.6000110.9L289 R303 D307 Q308 R313 V314L289-L310 HydrophobicContact CD1-CD2 4.31Å; L289-L310 HydrophobicContact CD2-CD1 4.5Å; L289-L310 HydrophobicContact CD2-CD2 4.47Å; R303-L310 HydrophobicContact CB-CD2 3.99Å; D307-L310 HydrophobicContact CB-CB 3.87Å; D307-L310 HydrophobicContact CB-CD2 4.46Å; D307-L310 WeakPolarHBondContact OD1-CB 3.23Å; D307-L310 PolarHBondContact OD1-N 2.94Å; D307-L310 WeakPolarHBondContact OD2-CB 3.48Å; Q308-L310 PolarHBondContact O-N 3.37Å; L310-R313 PolarHBondContact O-N 3.38Å; L310-V314 HydrophobicContact CD1-CG1 3.93Å; L310-V314 WeakPolarHBondContact O-CG1 3.43Å; L310-V314 WeakPolarHBondContact O-CG2 3.3Å; L310-V314 PolarHBondContact O-N 3.43Å
311R98.5Very high98.3Very high73 Ų7363.1 Ų63.128%0.27530%0.296SS..Hα-helixtrans-60.1-48.9-179.1-165-169.1-41.5167.312.6111.6P269 L304 L305 D307 Q308 E309 R313 V314 V315P269-R311 HydrophobicContact CG-CG 3.84Å; L304-R311 HydrophobicContact CD2-CB 4.43Å; L304-R311 HydrophobicContact CD2-CG 4.42Å; L304-R311 PolarHBondContact O-NE 3.4Å; L304-R311 PolarHBondContact O-NH2 3.31Å; L305-R311 PolarHBondContact O-NH2 3.01Å; L305-R311 VanDerWaalsContact O-NH2 3.14Å; D307-R311 PolarHBondContact O-N 2.96Å; Q308-R311 WeakPolarHBondContact O-CB 3.45Å; Q308-R311 PolarHBondContact O-N 3.22Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 3.05Å; R311-R313 VanDerWaalsContact C-N 3.34Å; R311-R313 PolarHBondContact O-N 3.09Å; R311-V314 WeakPolarHBondContact O-CG2 3.08Å; R311-V315 WeakPolarHBondContact O-CB 3.45Å; R311-V315 VanDerWaalsContact O-CG2 3.29Å; R311-V315 WeakPolarHBondContact O-CG2 3.47Å; R311-V315 PolarHBondContact O-N 2.74Å; R311-V315 VanDerWaalsContact O-N 3.13Å
312E98.4Very high98.3Very high113 Ų11363.2 Ų63.253%0.52830%0.297SS..Hα-helixtrans-63.3-41177.8-71.6177.3-172.300111.6Q308 R316Q308-E312 HydrophobicContact CG-CG 4.35Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.41Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CG 3.41Å; Q308-E312 PolarHBondContact O-N 2.98Å; E312-R316 VanDerWaalsContact O-CB 3.29Å; E312-R316 WeakPolarHBondContact O-CB 3.44Å; E312-R316 PolarHBondContact O-N 3.43Å
313R98.6Very high98.3Very high114 Ų11463.6 Ų63.643%0.4330%0.298SS..Hα-helixtrans-62.3-51177.6-179.7171.663.3-154.2-9.2112E309 L310 R311 V315 R316 N317E309-R313 WeakPolarHBondContact O-CB 3.41Å; E309-R313 PolarHBondContact O-N 2.84Å; L310-R313 PolarHBondContact O-N 3.38Å; R311-R313 VanDerWaalsContact C-N 3.34Å; R311-R313 PolarHBondContact O-N 3.09Å; R313-V315 VanDerWaalsContact C-N 3.34Å; R313-V315 PolarHBondContact O-N 2.92Å; R313-R316 PolarHBondContact O-N 3.39Å; R313-N317 WeakPolarHBondContact O-CB 3.31Å; R313-N317 PolarHBondContact O-N 3Å; R313-N317 PolarHBondContact O-ND2 3.1Å
314V98.8Very high98.2Very high2 Ų266.7 Ų66.71%0.01232%0.316CS..Hα-helixtrans-65.4-38.7-177.6-61.80000112V286 L304 L310 R311 G318V286-V314 WeakPolarHBondContact O-CA 3.46Å; L304-V314 HydrophobicContact CD2-CG2 4.21Å; L310-V314 HydrophobicContact CD1-CG1 3.93Å; L310-V314 WeakPolarHBondContact O-CG1 3.43Å; L310-V314 WeakPolarHBondContact O-CG2 3.3Å; L310-V314 PolarHBondContact O-N 3.43Å; R311-V314 WeakPolarHBondContact O-CG2 3.08Å; V314-G318 PolarHBondContact O-N 3.14Å
315V98.6Very high98.1Very high28 Ų2869.8 Ų69.817%0.1733%0.33CS..Hα-helixtrans-63.4-50.8176.6161.90000111.6R267 P269 R311 R313 N317 G318 K319R267-V315 HydrophobicContact CB-CG1 3.52Å; R267-V315 HydrophobicContact CG-CG1 4.23Å; R267-V315 WeakPolarHBondContact O-CG1 3.43Å; P269-V315 HydrophobicContact CB-CG2 4.42Å; P269-V315 HydrophobicContact CG-CG2 3.67Å; R311-V315 WeakPolarHBondContact O-CB 3.45Å; R311-V315 VanDerWaalsContact O-CG2 3.29Å; R311-V315 WeakPolarHBondContact O-CG2 3.47Å; R311-V315 PolarHBondContact O-N 2.74Å; R311-V315 VanDerWaalsContact O-N 3.13Å; R313-V315 VanDerWaalsContact C-N 3.34Å; R313-V315 PolarHBondContact O-N 2.92Å; V315-N317 PolarHBondContact O-N 3Å; V315-G318 PolarHBondContact O-N 2.91Å; V315-K319 PolarHBondContact O-N 3Å; V315-K319 VanDerWaalsContact O-N 3.08Å
316R98.7Very high98.2Very high153 Ų15367.7 Ų67.758%0.57732%0.319SS*.Hα-helixtrans-60.8-48-179.7178.9-176.162.1154.9-2.6111.2E312 R313 K319 L320E312-R316 VanDerWaalsContact O-CB 3.29Å; E312-R316 WeakPolarHBondContact O-CB 3.44Å; E312-R316 PolarHBondContact O-N 3.43Å; R313-R316 PolarHBondContact O-N 3.39Å; R316-K319 PolarHBondContact O-N 3.47Å; R316-L320 HydrophobicContact CG-CD1 4.27Å; R316-L320 WeakPolarHBondContact O-CG 3.25Å; R316-L320 PolarHBondContact O-N 3.42Å
317N98.8Very high98.1Very high34 Ų3464.9 Ų64.918%0.18230%0.298CS..Hα-helixtrans-69.5-35.3-177.8-68.1-10.1000112.1V286 T287 R313 V315 L320 Y321V286-N317 WeakPolarHBondContact O-CB 3.36Å; V286-N317 PolarHBondContact O-ND2 3.17Å; T287-N317 HydrophobicContact CG2-CB 4.11Å; R313-N317 WeakPolarHBondContact O-CB 3.31Å; R313-N317 PolarHBondContact O-N 3Å; R313-N317 PolarHBondContact O-ND2 3.1Å; V315-N317 PolarHBondContact O-N 3Å; N317-L320 PolarHBondContact O-N 2.83Å; N317-Y321 WeakPolarHBondContact O-CB 3.3Å; N317-Y321 PolarHBondContact O-N 3.47Å
318G98.7Very high98Very high1 Ų163.6 Ų63.61%0.0129%0.292CS..Hα-helixtrans-59.4-46.4172.700000111.5V314 V315 Y321 V322V314-G318 PolarHBondContact O-N 3.14Å; V315-G318 PolarHBondContact O-N 2.91Å; G318-Y321 WeakPolarHBondContact O-CB 3.16Å; G318-Y321 PolarHBondContact O-N 2.96Å; G318-V322 PolarHBondContact O-N 2.99Å; G318-V322 VanDerWaalsContact O-N 3.11Å
319K98.4Very high97.9Very high33 Ų3363.9 Ų63.914%0.14329%0.291CS..Hα-helixtrans-59.3-48.9175.6-179.763.1178.1-172.90112.2M264 D265 R267 V315 R316 Y321 V322 E323M264-K319 WeakPolarHBondContact O-CA 3.4Å; D265-K319 VanDerWaalsContact O-CD 3.27Å; D265-K319 WeakPolarHBondContact O-CD 3.44Å; D265-K319 PolarHBondContact O-NZ 3.13Å; D265-K319 IonicContact OD1-NZ 2.86Å; D265-K319 PolarHBondContact OD1-NZ 2.86Å; R267-K319 HydrophobicContact CG-CB 4.07Å; R267-K319 HydrophobicContact CG-CD 4.27Å; R267-K319 HydrophobicContact CG-CG 4.16Å; V315-K319 PolarHBondContact O-N 3Å; V315-K319 VanDerWaalsContact O-N 3.08Å; R316-K319 PolarHBondContact O-N 3.47Å; K319-Y321 VanDerWaalsContact C-N 3.3Å; K319-Y321 PolarHBondContact O-N 3.04Å; K319-V322 PolarHBondContact O-N 2.82Å; K319-E323 HydrophobicContact CD-CG 4.34Å; K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 HydrophobicContact CG-CG 4.45Å; K319-E323 WeakPolarHBondContact O-CG 3.39Å; K319-E323 PolarHBondContact O-N 3.48Å
320L98.6Very high97.8Very high87 Ų8760.5 Ų60.546%0.45528%0.276SS..Hα-helixtrans-59.4-41.9178.3-71.1171.9000111.8R316 N317 V322 E323 E324R316-L320 HydrophobicContact CG-CD1 4.27Å; R316-L320 WeakPolarHBondContact O-CG 3.25Å; R316-L320 PolarHBondContact O-N 3.42Å; N317-L320 PolarHBondContact O-N 2.83Å; L320-V322 VanDerWaalsContact C-N 3.33Å; L320-V322 PolarHBondContact O-N 2.84Å; L320-E323 PolarHBondContact O-N 2.86Å; L320-E324 WeakPolarHBondContact O-CB 3.38Å; L320-E324 PolarHBondContact O-N 3.08Å
321Y98.4Very high97.7Very high34 Ų3460.5 Ų60.513%0.13328%0.276CS..Hα-helixtrans-59.5-42.4176.7174.4-89.6000112.2L261 M264 V281 N317 G318 K319 E324 H325 H326L261-Y321 HydrophobicContact CD2-CE1 4.08Å; M264-Y321 HydrophobicContact SD-CD1 4.17Å; V281-Y321 HydrophobicContact CG1-CE1 3.91Å; N317-Y321 WeakPolarHBondContact O-CB 3.3Å; N317-Y321 PolarHBondContact O-N 3.47Å; G318-Y321 WeakPolarHBondContact O-CB 3.16Å; G318-Y321 PolarHBondContact O-N 2.96Å; K319-Y321 VanDerWaalsContact C-N 3.3Å; K319-Y321 PolarHBondContact O-N 3.04Å; Y321-E324 PolarHBondContact O-N 3.34Å; Y321-H325 AromaticContact CD2-CD2 3.36Å; Y321-H325 WeakPolarHBondContact CD2-CD2 3.14Å; Y321-H325 AromaticContact CD2-NE2 3.96Å; Y321-H325 AromaticContact CE2-CD2 3.4Å; Y321-H325 VanDerWaalsContact CE2-CD2 3.4Å; Y321-H325 WeakPolarHBondContact CE2-CD2 3.39Å; Y321-H325 WeakPolarHBondContact O-CB 3.4Å; Y321-H325 PolarHBondContact O-CD2 3.17Å; Y321-H325 VanDerWaalsContact O-CD2 3.29Å; Y321-H325 PolarHBondContact O-N 2.84Å; Y321-H326 AromaticContact CE1-CD2 3.49Å; Y321-H326 VanDerWaalsContact CE1-CD2 3.49Å; Y321-H326 WeakPolarHBondContact CE1-CD2 3.25Å; Y321-H326 AromaticContact CE1-NE2 3.28Å; Y321-H326 VanDerWaalsContact CE1-NE2 3.28Å; Y321-H326 WeakPolarHBondContact CE1-NE2 3.32Å; Y321-H326 AromaticContact CZ-NE2 3.69Å; Y321-H326 PolarHBondContact OH-NE2 3.37Å
322V98.3Very high97.7Very high3 Ų361.6 Ų61.62%0.01828%0.28CS..Hα-helixtrans-67-45176.2173.10000111.5I140 L261 M264 D265 G318 K319 L320 E324 H326I140-V322 HydrophobicContact CB-CG1 3.96Å; I140-V322 HydrophobicContact CG2-CG1 4.03Å; L261-V322 HydrophobicContact CD2-CG2 4.21Å; M264-V322 HydrophobicContact CB-CG2 3.56Å; M264-V322 HydrophobicContact SD-CG2 4.35Å; D265-V322 HydrophobicContact CB-CG1 4.02Å; G318-V322 PolarHBondContact O-N 2.99Å; G318-V322 VanDerWaalsContact O-N 3.11Å; K319-V322 PolarHBondContact O-N 2.82Å; L320-V322 VanDerWaalsContact C-N 3.33Å; L320-V322 PolarHBondContact O-N 2.84Å; V322-E324 PolarHBondContact O-N 3.43Å; V322-H326 HydrophobicContact CG1-CB 4.02Å; V322-H326 CarbonylContact O-C 3.39Å; V322-H326 WeakPolarHBondContact O-CA 3.39Å; V322-H326 WeakPolarHBondContact O-CB 3.45Å; V322-H326 PolarHBondContact O-N 2.68Å
323E97.2Very high97.6Very high99 Ų9960.3 Ų60.346%0.46327%0.274SS..Hα-helixtrans-61.1-31178.2-72.4174.6167.400112.5K319 L320 T327K319-E323 HydrophobicContact CD-CG 4.34Å; K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 HydrophobicContact CG-CG 4.45Å; K319-E323 WeakPolarHBondContact O-CG 3.39Å; K319-E323 PolarHBondContact O-N 3.48Å; L320-E323 PolarHBondContact O-N 2.86Å; E323-T327 WeakPolarHBondContact O-CG2 3.34Å
324E97.1Very high97.5Very high137 Ų13755.6 Ų55.664%0.6426%0.257SS*.Hα-helixtrans-85.4-41.5-179.6-169.8177.6168.200113.2L320 Y321 V322L320-E324 WeakPolarHBondContact O-CB 3.38Å; L320-E324 PolarHBondContact O-N 3.08Å; Y321-E324 PolarHBondContact O-N 3.34Å; V322-E324 PolarHBondContact O-N 3.43Å
325H96.4Very high97.4Very high67 Ų6755.5 Ų55.531%0.3126%0.257SS..Hα-helixtrans-114-11.7-166.6-56.9-61.6000115.2Y321Y321-H325 AromaticContact CD2-CD2 3.36Å; Y321-H325 WeakPolarHBondContact CD2-CD2 3.14Å; Y321-H325 AromaticContact CD2-NE2 3.96Å; Y321-H325 AromaticContact CE2-CD2 3.4Å; Y321-H325 VanDerWaalsContact CE2-CD2 3.4Å; Y321-H325 WeakPolarHBondContact CE2-CD2 3.39Å; Y321-H325 WeakPolarHBondContact O-CB 3.4Å; Y321-H325 PolarHBondContact O-CD2 3.17Å; Y321-H325 VanDerWaalsContact O-CD2 3.29Å; Y321-H325 PolarHBondContact O-N 2.84Å
326H97.2Very high97.2Very high4 Ų456.3 Ų56.32%0.01926%0.259CS..  trans-126.933.7-171-68.4-80.9000112.3Q138 G139 I140 L261 Y321 V322Q138-H326 PolarHBondContact O-ND1 2.86Å; G139-H326 CarbonylContact C-O 3.55Å; G139-H326 WeakPolarHBondContact CA-O 3.34Å; I140-H326 HydrophobicContact CB-CB 4.3Å; I140-H326 HydrophobicContact CG1-CB 3.94Å; I140-H326 PolarHBondContact N-O 3.44Å; L261-H326 WeakPolarHBondContact CD2-NE2 3.4Å; Y321-H326 AromaticContact CE1-CD2 3.49Å; Y321-H326 VanDerWaalsContact CE1-CD2 3.49Å; Y321-H326 WeakPolarHBondContact CE1-CD2 3.25Å; Y321-H326 AromaticContact CE1-NE2 3.28Å; Y321-H326 VanDerWaalsContact CE1-NE2 3.28Å; Y321-H326 WeakPolarHBondContact CE1-NE2 3.32Å; Y321-H326 AromaticContact CZ-NE2 3.69Å; Y321-H326 PolarHBondContact OH-NE2 3.37Å; V322-H326 HydrophobicContact CG1-CB 4.02Å; V322-H326 CarbonylContact O-C 3.39Å; V322-H326 WeakPolarHBondContact O-CA 3.39Å; V322-H326 WeakPolarHBondContact O-CB 3.45Å; V322-H326 PolarHBondContact O-N 2.68Å
327T96.8Very high97.1Very high46 Ų4656.7 Ų56.728%0.28226%0.26SS..  trans-72.3136179.974.50000112E323 K329 Q330 E331E323-T327 WeakPolarHBondContact O-CG2 3.34Å; T327-K329 PolarHBondContact O-N 3.44Å; T327-Q330 PolarHBondContact O-N 3.07Å; T327-Q330 WeakPolarHBondContact OG1-CB 3.38Å; T327-Q330 PolarHBondContact OG1-N 2.64Å; T327-Q330 VanDerWaalsContact OG1-N 3.14Å; T327-E331 PolarHBondContact O-N 3.34Å
328V95.8Very high96.9Very high33 Ų3355.3 Ų55.320%0.225%0.253CS..Hα-helixtrans-60.7-32.3172.2-178.70000111.5H25 Q141 E331 R332H25-V328 WeakPolarHBondContact CE1-CG1 3.4Å; Q141-V328 HydrophobicContact CB-CG2 3.82Å; V328-E331 PolarHBondContact O-N 3.36Å; V328-R332 VanDerWaalsContact O-CB 3.27Å; V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 2.63Å
329K95.9Very high96.7Very high127 Ų12755.3 Ų55.355%0.55225%0.253SS*.Hα-helixtrans-61.4-50.7177.9-179.1-178.7171.7-174.80111.6T327 R332 E333T327-K329 PolarHBondContact O-N 3.44Å; K329-R332 PolarHBondContact O-N 3.44Å; K329-E333 WeakPolarHBondContact CE-OE1 3.28Å; K329-E333 WeakPolarHBondContact CG-OE1 3.42Å; K329-E333 IonicContact NZ-OE1 4Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.03Å
330Q95.9Very high96.3Very high83 Ų8357.6 Ų57.639%0.38827%0.267SS..Hα-helixtrans-64-43.5179.5-176.9-179.2900111.3T327 R332 E333 T334T327-Q330 PolarHBondContact O-N 3.07Å; T327-Q330 WeakPolarHBondContact OG1-CB 3.38Å; T327-Q330 PolarHBondContact OG1-N 2.64Å; T327-Q330 VanDerWaalsContact OG1-N 3.14Å; Q330-R332 VanDerWaalsContact C-N 3.34Å; Q330-R332 PolarHBondContact O-N 2.86Å; Q330-E333 PolarHBondContact O-N 3.34Å; Q330-T334 PolarHBondContact O-N 2.88Å; Q330-T334 PolarHBondContact O-OG1 3.02Å
331E97.3Very high95.9Very high0 Ų058.2 Ų58.20%027%0.266CS..Hα-helixtrans-58-47.3176.4-170.9-169.2-128.700111.3R21 H25 Q136 G139 T327 V328 T334 Y335R21-E331 VanDerWaalsContact CD-OE2 3.28Å; R21-E331 WeakPolarHBondContact CD-OE2 3.25Å; R21-E331 IonicContact CZ-OE1 2.79Å; R21-E331 IonicContact CZ-OE2 3.29Å; R21-E331 IonicContact NE-OE1 3.86Å; R21-E331 PolarHBondContact NE-OE1 3.15Å; R21-E331 IonicContact NE-OE2 2.93Å; R21-E331 PolarHBondContact NE-OE2 3.31Å; R21-E331 IonicContact NH2-OE1 3.62Å; R21-E331 PolarHBondContact NH2-OE1 3.46Å; R21-E331 IonicContact NH2-OE2 2.77Å; H25-E331 IonicContact CD2-OE2 2.62Å; H25-E331 IonicContact CE1-OE2 3.26Å; H25-E331 IonicContact NE2-OE2 2.89Å; H25-E331 PolarHBondContact NE2-OE2 3.28Å; Q136-E331 HydrophobicContact CG-CG 4.22Å; G139-E331 PolarHBondContact N-OE1 3.41Å; T327-E331 PolarHBondContact O-N 3.34Å; V328-E331 PolarHBondContact O-N 3.36Å; E331-T334 PolarHBondContact O-N 3.01Å; E331-Y335 HydrophobicContact CG-CD2 3.73Å; E331-Y335 HydrophobicContact CG-CE2 3.58Å; E331-Y335 VanDerWaalsContact O-CD2 3.25Å; E331-Y335 WeakPolarHBondContact O-CD2 3.25Å; E331-Y335 PolarHBondContact O-N 3.24Å
332R97.2Very high95.6Very high96 Ų9656.6 Ų56.636%0.36226%0.259SS..Hα-helixtrans-58.2-52.5176.6-177.4178.365.3-171-0.4112.1H25 V328 K329 Q330 T334 Y335 Q336H25-R332 HydrophobicContact CB-CB 4.23Å; H25-R332 HydrophobicContact CB-CG 3.91Å; V328-R332 VanDerWaalsContact O-CB 3.27Å; V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 2.63Å; K329-R332 PolarHBondContact O-N 3.44Å; Q330-R332 VanDerWaalsContact C-N 3.34Å; Q330-R332 PolarHBondContact O-N 2.86Å; R332-T334 PolarHBondContact O-N 3.07Å; R332-Y335 PolarHBondContact O-N 3.17Å; R332-Q336 HydrophobicContact CG-CG 4.24Å; R332-Q336 WeakPolarHBondContact O-CB 3.48Å; R332-Q336 VanDerWaalsContact O-CG 3.23Å; R332-Q336 WeakPolarHBondContact O-CG 3.42Å; R332-Q336 PolarHBondContact O-N 3.28Å
333E96.8Very high94.8Very high85 Ų8560.7 Ų60.740%0.39728%0.278SS..Hα-helixtrans-59.8-35.1-179.2-73.7171.6-17600112.2K329 Q330 R337K329-E333 WeakPolarHBondContact CE-OE1 3.28Å; K329-E333 WeakPolarHBondContact CG-OE1 3.42Å; K329-E333 IonicContact NZ-OE1 4Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.03Å; Q330-E333 PolarHBondContact O-N 3.34Å; E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.42Å; E333-R337 PolarHBondContact O-N 3.32Å; E333-R337 PolarHBondContact O-NE 3.24Å
334T96.6Very high93Very high15 Ų1563.6 Ų63.69%0.09229%0.289CS..Hα-helixtrans-69.8-50.2174.5-66.10000112.1Q136 Q330 E331 R332 Q336 R337 L338Q136-T334 HydrophobicContact CB-CG2 4.02Å; Q136-T334 HydrophobicContact CG-CG2 3.98Å; Q136-T334 PolarHBondContact OE1-OG1 2.76Å; Q330-T334 PolarHBondContact O-N 2.88Å; Q330-T334 PolarHBondContact O-OG1 3.02Å; E331-T334 PolarHBondContact O-N 3.01Å; R332-T334 PolarHBondContact O-N 3.07Å; T334-Q336 VanDerWaalsContact C-N 3.34Å; T334-Q336 PolarHBondContact O-N 2.9Å; T334-R337 PolarHBondContact O-N 3.01Å; T334-R337 PolarHBondContact OG1-NH2 3.48Å; T334-L338 HydrophobicContact CG2-CD1 3.76Å; T334-L338 HydrophobicContact CG2-CG 4.23Å; T334-L338 WeakPolarHBondContact O-CB 3.45Å; T334-L338 VanDerWaalsContact O-CG 3.32Å; T334-L338 WeakPolarHBondContact O-CG 3.43Å; T334-L338 PolarHBondContact O-N 3.25Å
335Y97.1Very high90.7Very high0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-65.7-36.2-178.5-80-67.4000113I22 I82 V112 Q136 E331 R332 L338 V339I22-Y335 HydrophobicContact CD1-CD2 4.41Å; I22-Y335 HydrophobicContact CD1-CE1 4.05Å; I22-Y335 HydrophobicContact CD1-CE2 3.68Å; I22-Y335 VanDerWaalsContact CD1-CZ 3.46Å; I22-Y335 WeakPolarHBondContact CD1-OH 3.46Å; I22-Y335 HydrophobicContact CG1-CD2 4.01Å; I22-Y335 HydrophobicContact CG1-CE2 3.68Å; I22-Y335 HydrophobicContact CG2-CD1 4.14Å; I22-Y335 HydrophobicContact CG2-CD2 4.45Å; I22-Y335 HydrophobicContact CG2-CE1 4.36Å; I22-Y335 HydrophobicContact CG2-CG 4.19Å; I82-Y335 HydrophobicContact CD1-CE1 3.69Å; I82-Y335 HydrophobicContact CG1-CE1 3.79Å; V112-Y335 HydrophobicContact CG2-CE1 4.11Å; Q136-Y335 HydrophobicContact CG-CE2 4.06Å; E331-Y335 HydrophobicContact CG-CD2 3.73Å; E331-Y335 HydrophobicContact CG-CE2 3.58Å; E331-Y335 VanDerWaalsContact O-CD2 3.25Å; E331-Y335 WeakPolarHBondContact O-CD2 3.25Å; E331-Y335 PolarHBondContact O-N 3.24Å; R332-Y335 PolarHBondContact O-N 3.17Å; Y335-L338 PolarHBondContact O-N 2.67Å; Y335-V339 WeakPolarHBondContact O-CB 3.27Å; Y335-V339 WeakPolarHBondContact O-CG2 3.45Å; Y335-V339 PolarHBondContact O-N 3.48Å
336Q95Very high88Confident46 Ų4666 Ų6622%0.21531%0.312CS..Hα-helixtrans-59.7-50.5174.1-70177.8-19.300110.9H25 S28 A29 R332 T334 L338 V339 D340H25-Q336 PolarHBondContact O-NE2 3.12Å; H25-Q336 VanDerWaalsContact O-NE2 3.15Å; S28-Q336 PolarHBondContact OG-NE2 2.94Å; S28-Q336 VanDerWaalsContact OG-NE2 3.11Å; A29-Q336 HydrophobicContact CB-CB 4.42Å; A29-Q336 HydrophobicContact CB-CG 3.72Å; R332-Q336 HydrophobicContact CG-CG 4.24Å; R332-Q336 WeakPolarHBondContact O-CB 3.48Å; R332-Q336 VanDerWaalsContact O-CG 3.23Å; R332-Q336 WeakPolarHBondContact O-CG 3.42Å; R332-Q336 PolarHBondContact O-N 3.28Å; T334-Q336 VanDerWaalsContact C-N 3.34Å; T334-Q336 PolarHBondContact O-N 2.9Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.5Å; Q336-V339 PolarHBondContact O-N 3.23Å; Q336-D340 PolarHBondContact O-N 2.87Å; Q336-D340 VanDerWaalsContact O-N 3.1Å
337R95Very high85.3Confident160 Ų16074.9 Ų74.960%0.60435%0.35SS*.Hα-helixtrans-61.7-36.6176.3-72.7-175.9-59.4147.11.4113.7E333 T334E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.42Å; E333-R337 PolarHBondContact O-N 3.32Å; E333-R337 PolarHBondContact O-NE 3.24Å; T334-R337 PolarHBondContact O-N 3.01Å; T334-R337 PolarHBondContact OG1-NH2 3.48Å
338L95.2Very high82.2Confident5 Ų578.1 Ų78.13%0.02638%0.375CS..Hα-helixtrans-72.9-40.2179.6-71.5177.5000111.5F110 V112 Y134 T334 Y335 Q336 D340 K341F110-L338 HydrophobicContact CB-CD2 4.33Å; F110-L338 HydrophobicContact CD1-CB 4.18Å; F110-L338 HydrophobicContact CD2-CB 4.15Å; F110-L338 HydrophobicContact CD2-CD1 3.96Å; F110-L338 HydrophobicContact CD2-CD2 4.28Å; F110-L338 HydrophobicContact CD2-CG 4.37Å; F110-L338 HydrophobicContact CE1-CB 3.85Å; F110-L338 WeakPolarHBondContact CE1-O 3.44Å; F110-L338 HydrophobicContact CE2-CB 3.85Å; F110-L338 HydrophobicContact CE2-CD1 3.95Å; F110-L338 HydrophobicContact CE2-CG 4.41Å; F110-L338 HydrophobicContact CG-CB 4.31Å; F110-L338 HydrophobicContact CG-CD2 4.17Å; F110-L338 HydrophobicContact CZ-CB 3.67Å; V112-L338 HydrophobicContact CG2-CD1 3.54Å; Y134-L338 HydrophobicContact CD1-CD2 4.04Å; Y134-L338 HydrophobicContact CD2-CD2 3.72Å; Y134-L338 HydrophobicContact CE1-CD2 4.13Å; Y134-L338 HydrophobicContact CE2-CD2 3.86Å; Y134-L338 HydrophobicContact CG-CD1 4.44Å; Y134-L338 HydrophobicContact CG-CD2 3.85Å; T334-L338 HydrophobicContact CG2-CD1 3.76Å; T334-L338 HydrophobicContact CG2-CG 4.23Å; T334-L338 WeakPolarHBondContact O-CB 3.45Å; T334-L338 VanDerWaalsContact O-CG 3.32Å; T334-L338 WeakPolarHBondContact O-CG 3.43Å; T334-L338 PolarHBondContact O-N 3.25Å; Y335-L338 PolarHBondContact O-N 2.67Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.5Å; L338-D340 PolarHBondContact O-N 3.26Å; L338-K341 HydrophobicContact CD2-CD 4.25Å; L338-K341 VanDerWaalsContact O-CB 3.27Å; L338-K341 WeakPolarHBondContact O-CB 3.41Å; L338-K341 PolarHBondContact O-N 3.02Å
339V94.5Very high79.2Confident1 Ų184.8 Ų84.81%0.00643%0.434CS..Hα-helixtrans-61.6-35.4174.6164.50000111.4M1 L3 I26 L61 Y335 Q336 K341 L342M1-V339 HydrophobicContact CE-CG1 3.65Å; M1-V339 WeakPolarHBondContact CE-O 3.44Å; L3-V339 HydrophobicContact CD1-CG1 4.38Å; L3-V339 HydrophobicContact CD2-CG1 3.87Å; L3-V339 HydrophobicContact CD2-CG2 4.24Å; I26-V339 HydrophobicContact CD1-CG2 4.36Å; I26-V339 HydrophobicContact CG1-CG2 4.11Å; L61-V339 HydrophobicContact CD1-CG2 3.96Å; Y335-V339 WeakPolarHBondContact O-CB 3.27Å; Y335-V339 WeakPolarHBondContact O-CG2 3.45Å; Y335-V339 PolarHBondContact O-N 3.48Å; Q336-V339 PolarHBondContact O-N 3.23Å; V339-K341 PolarHBondContact O-N 2.96Å; V339-K341 VanDerWaalsContact O-N 3.16Å; V339-L342 HydrophobicContact CG2-CD1 4.47Å; V339-L342 VanDerWaalsContact O-CB 3.26Å; V339-L342 WeakPolarHBondContact O-CB 3.35Å; V339-L342 PolarHBondContact O-N 3.38Å
340D90.9Very high78.4Confident82 Ų8282.7 Ų82.744%0.43943%0.428SS..Hα-helixtrans-58.8-29174.1-71.4-29.5000113.1Q336 L338 L342 H343Q336-D340 PolarHBondContact O-N 2.87Å; Q336-D340 VanDerWaalsContact O-N 3.1Å; L338-D340 PolarHBondContact O-N 3.26Å; D340-L342 PolarHBondContact O-N 3Å; D340-H343 WeakPolarHBondContact O-CB 3.41Å; D340-H343 PolarHBondContact O-N 2.87Å; D340-H343 PolarHBondContact O-ND1 3.27Å; D340-H343 IonicContact OD1-CE1 3.52Å
341K89.9Confident77.4Confident99 Ų9982.7 Ų82.743%0.4343%0.43SS..THydrogen-bonded Turntrans-71-11.5175.2-55.4-174.1179.3-169.50113.6Y134 L338 V339 H343Y134-K341 VanDerWaalsContact CZ-NZ 3.31Å; Y134-K341 PolarHBondContact OH-NZ 3.26Å; L338-K341 HydrophobicContact CD2-CD 4.25Å; L338-K341 VanDerWaalsContact O-CB 3.27Å; L338-K341 WeakPolarHBondContact O-CB 3.41Å; L338-K341 PolarHBondContact O-N 3.02Å; V339-K341 PolarHBondContact O-N 2.96Å; V339-K341 VanDerWaalsContact O-N 3.16Å; K341-H343 VanDerWaalsContact C-N 3.34Å
342L91.7Very high76.3Confident1 Ų187.3 Ų87.31%0.00545%0.454CS..THydrogen-bonded Turntrans-82.9-13.6175.9-57.2177.1000112.6L3 A59 L61 P78 F79 R109 F110 V339 D340 K344L3-L342 HydrophobicContact CD2-CD1 4.16Å; A59-L342 HydrophobicContact CB-CB 3.65Å; A59-L342 HydrophobicContact CB-CD1 3.89Å; A59-L342 HydrophobicContact CB-CG 4.35Å; L61-L342 HydrophobicContact CD2-CD1 3.95Å; L61-L342 HydrophobicContact CG-CD1 4.38Å; P78-L342 WeakPolarHBondContact CG-O 3.29Å; F79-L342 VanDerWaalsContact C-CD2 3.49Å; R109-L342 HydrophobicContact CB-CD2 3.74Å; R109-L342 HydrophobicContact CG-CD2 4.04Å; F110-L342 HydrophobicContact CD1-CD2 4.01Å; F110-L342 HydrophobicContact CD1-CG 4.48Å; F110-L342 HydrophobicContact CE1-CD1 3.99Å; F110-L342 HydrophobicContact CE1-CD2 3.67Å; F110-L342 HydrophobicContact CE1-CG 3.77Å; F110-L342 HydrophobicContact CZ-CD1 4.5Å; V339-L342 HydrophobicContact CG2-CD1 4.47Å; V339-L342 VanDerWaalsContact O-CB 3.26Å; V339-L342 WeakPolarHBondContact O-CB 3.35Å; V339-L342 PolarHBondContact O-N 3.38Å; D340-L342 PolarHBondContact O-N 3Å; L342-K344 PolarHBondContact O-N 3.19Å
343H81.8Confident75.1Confident89 Ų8986.8 Ų86.841%0.41246%0.459SS..SBendtrans-55133.1169.9-70.6100.6000109M1 D340 K341 A345M1-H343 VanDerWaalsContact CE-CE1 3.5Å; M1-H343 WeakPolarHBondContact CE-CE1 3.31Å; M1-H343 WeakPolarHBondContact CG-NE2 3.37Å; M1-H343 PolarHBondContact SD-CD2 2.94Å; M1-H343 PolarHBondContact SD-NE2 3.4Å; D340-H343 WeakPolarHBondContact O-CB 3.41Å; D340-H343 PolarHBondContact O-N 2.87Å; D340-H343 PolarHBondContact O-ND1 3.27Å; D340-H343 IonicContact OD1-CE1 3.52Å; K341-H343 VanDerWaalsContact C-N 3.34Å; H343-A345 PolarHBondContact O-N 3.44Å
344K59.9Low73.8Confident159 Ų15986.9 Ų86.969%0.69146%0.463SS*.PPolyproline II helixtrans-56.1127173.5-69.9176.9-179.41720107.2L342 Q346L342-K344 PolarHBondContact O-N 3.19Å; K344-Q346 PolarHBondContact O-N 3.06Å
345A48.9Very low72.2Confident63 Ų6391.7 Ų91.752%0.52149%0.488SS..PPolyproline II helixtrans-49.8118.8157.300000105.7H343 F347H343-A345 PolarHBondContact O-N 3.44Å; A345-F347 PolarHBondContact O-N 3Å
346Q39.6Very low70.5Confident193 Ų19398.2 Ų98.290%0.90252%0.522SS*.  trans-58.9100.4164.4-84.5179.9-19.800104.6K344 S348K344-Q346 PolarHBondContact O-N 3.06Å; Q346-S348 VanDerWaalsContact C-N 3.32Å; Q346-S348 PolarHBondContact O-N 3.45Å
347F39.1Very low68.6Low189 Ų189102.2 Ų102.283%0.82955%0.546SS*.  trans-61.1107.4163.2-77.3-83.3000104.7A345 A349A345-F347 PolarHBondContact O-N 3Å; F347-A349 PolarHBondContact O-N 3.32Å
348S31.8Very low66.4Low115 Ų11597.4 Ų97.480%0.80454%0.541SS*.  trans-50.6126.5162.441.70000107.6Q346Q346-S348 VanDerWaalsContact C-N 3.32Å; Q346-S348 PolarHBondContact O-N 3.45Å
349A33.1Very low63.7Low173 Ų173105.8 Ų105.8100%1.4359%0.588SS**  trans-49.80-175.600000114.4F347F347-A349 PolarHBondContact O-N 3.32Å

Retrieved 349 of 349 residues in 156 ms (Link to these results)

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