K7WBK7_MAIZE Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession K7WBK7, Species MAIZE (Zea mays, Maize), Gene LOC100281837, Length 364 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
1M41.5Very low56.8Low226 Ų226100.5 Ų100.5100%1.11350%0.496SS*.  0104.20-75.7-155.5-103.200108.8L3M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.87Å
2E49.1Very low59.7Low122 Ų122101.3 Ų101.357%0.5749%0.49SS*.  trans-72.877.2-177.4-66.8177.3132.400111.1H4 K5 Y6E2-H4 PolarHBondContact O-N 3.02Å; E2-K5 HydrophobicContact CB-CD 4.42Å; E2-K5 PolarHBondContact O-N 3.46Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-K5 VanDerWaalsContact OE2-CE 3.3Å; E2-K5 WeakPolarHBondContact OE2-CE 3.16Å; E2-K5 IonicContact OE2-NZ 3.01Å; E2-K5 PolarHBondContact OE2-NZ 3.41Å; E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 WeakPolarHBondContact O-CE2 3.06Å
3L52.3Low62.3Low123 Ų123104.1 Ų104.164%0.64449%0.492SS*.G310 helixtrans-56.5-16.2-178.5-83.7153.4000114.4M1 K5M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.87Å; L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.1Å
4H53.1Low64.6Low139 Ų13996.7 Ų96.764%0.64446%0.457SS*.G310 helixtrans-67.3-23.7177.9-59.9142.1000113.5E2E2-H4 PolarHBondContact O-N 3.02Å
5K53.8Low66.3Low119 Ų11994.4 Ų94.452%0.51747%0.469SS..G310 helixtrans-72.6-27.6-178.7-77174.3174167.20114E2 L3E2-K5 HydrophobicContact CB-CD 4.42Å; E2-K5 PolarHBondContact O-N 3.46Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-K5 VanDerWaalsContact OE2-CE 3.3Å; E2-K5 WeakPolarHBondContact OE2-CE 3.16Å; E2-K5 IonicContact OE2-NZ 3.01Å; E2-K5 PolarHBondContact OE2-NZ 3.41Å; L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.1Å
6Y52.5Low67.9Low116 Ų11692.1 Ų92.146%0.45547%0.465SS..THydrogen-bonded Turntrans-103.3-14.4-160.7-48.7-76.9000115E2E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 WeakPolarHBondContact O-CE2 3.06Å
7W57.3Low69.4Low126 Ų12689.8 Ų89.848%0.47746%0.459SS..SBendtrans-138.824.6-176.6-55.193.4000112.4V9 R286 L290W7-V9 VanDerWaalsContact C-N 3.35Å; W7-V9 PolarHBondContact O-N 2.86Å; W7-V9 VanDerWaalsContact O-N 3.12Å; W7-R286 PolarHBondContact O-NH2 3.14Å; W7-L290 HydrophobicContact CB-CD2 4.31Å
8G53.6Low70.6Confident2 Ų293.2 Ų93.22%0.02147%0.473CS..  trans33.650.9176.700000117.2G10 R286G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 2.82Å; G8-R286 PolarHBondContact O-NH1 2.82Å; G8-R286 PolarHBondContact O-NH2 3.2Å
9V58.7Low71.4Confident81 Ų8192.1 Ų92.149%0.49149%0.486SS..THydrogen-bonded Turntrans-64.4100163.9-173.20000107.2W7W7-V9 VanDerWaalsContact C-N 3.35Å; W7-V9 PolarHBondContact O-N 2.86Å; W7-V9 VanDerWaalsContact O-N 3.12Å
10G70.9Confident72.4Confident47 Ų4788.9 Ų88.949%0.48547%0.474SS..THydrogen-bonded Turntrans9560.4-175.700000115G8G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 2.82Å
11G82.3Confident73.3Confident4 Ų488.5 Ų88.54%0.04148%0.476CS..PPolyproline II helixtrans-54.8161.1169.300000113R13G11-R13 PolarHBondContact O-N 3.33Å; G11-R13 PolarHBondContact O-NH1 3.06Å
12R91.6Very high75.8Confident111 Ų11178 Ų7842%0.41943%0.426SS..PPolyproline II helixtrans-58.6137.4-176.8-179178.2-76.3-89.94.5110.2A22 F34 M55 E60 L61R12-A22 HydrophobicContact CB-CB 4.41Å; R12-A22 HydrophobicContact CG-CB 4.42Å; R12-A22 WeakPolarHBondContact O-CB 3.34Å; R12-A22 PolarHBondContact O-N 2.89Å; R12-F34 HydrophobicContact CG-CB 4.34Å; R12-F34 HydrophobicContact CG-CD1 4.5Å; R12-F34 HydrophobicContact CG-CG 4.27Å; R12-M55 HydrophobicContact CB-CE 4.33Å; R12-E60 PolarHBondContact N-O 2.82Å; R12-L61 HydrophobicContact CB-CD2 4.48Å; R12-L61 PolarHBondContact NE-O 2.99Å
13R93.4Very high77.9Confident137 Ų13773.6 Ų73.652%0.51741%0.41SS..BIsolated β-bridgetrans-81.1153.8176-62.1-64.2-173.7-92.52.6111.2G11 G15G11-R13 PolarHBondContact O-N 3.33Å; G11-R13 PolarHBondContact O-NH1 3.06Å; R13-G15 PolarHBondContact O-N 3.43Å
14C94Very high79.9Confident1 Ų167.8 Ų67.81%0.00738%0.379CS..PPolyproline II helixtrans-62.1125.8172.2177.50000110.4S16 C17 E18 A20 F34 C36C14-S16 PolarHBondContact O-N 3.23Å; C14-S16 PolarHBondContact SG-N 3.23Å; C14-S16 VanDerWaalsContact SG-N 3.36Å; C14-C17 VanDerWaalsContact SG-SG 3.69Å; C14-E18 WeakPolarHBondContact O-CA 3.31Å; C14-E18 PolarHBondContact O-N 3.39Å; C14-A20 WeakPolarHBondContact CB-O 3.43Å; C14-A20 PolarHBondContact N-O 3.45Å; C14-F34 CarbonylContact C-O 3.51Å; C14-F34 WeakPolarHBondContact CA-O 3.4Å; C14-C36 HydrophobicContact CB-CB 3.84Å; C14-C36 PolarHBondContact SG-N 3.45Å; C14-C36 VanDerWaalsContact SG-SG 3.7Å
15G91.5Very high81.9Confident62 Ų6262.3 Ų62.364%0.63935%0.354SS*.THydrogen-bonded Turntrans-73.5-4.8177.800000114.8R13 F34R13-G15 PolarHBondContact O-N 3.43Å; G15-F34 PolarHBondContact N-O 3.24Å
16S90.7Very high83.8Confident57 Ų5756.7 Ų56.740%0.39933%0.33SS..THydrogen-bonded Turntrans-101.5-38.9178.3173.10000113.3C14 R42C14-S16 PolarHBondContact O-N 3.23Å; C14-S16 PolarHBondContact SG-N 3.23Å; C14-S16 VanDerWaalsContact SG-N 3.36Å; S16-R42 PolarHBondContact OG-NH1 2.92Å
17C93.2Very high85.7Confident54 Ų5456.6 Ų56.637%0.36533%0.328SS..THydrogen-bonded Turntrans-116.5-14.3-178.869.10000114.2C14 G19C14-C17 VanDerWaalsContact SG-SG 3.69Å; C17-G19 PolarHBondContact O-N 3.33Å
18E91.3Very high87.3Confident151 Ų15154 Ų5471%0.70633%0.326SS*.SBendtrans58.8-15.7-179.1-58-177.4173.600116.6C14C14-E18 WeakPolarHBondContact O-CA 3.31Å; C14-E18 PolarHBondContact O-N 3.39Å
19G86.8Confident89Confident71 Ų7155 Ų5573%0.73233%0.334SS*.SBendtrans-84.9-26.9-175.600000115.1C17C17-G19 PolarHBondContact O-N 3.33Å
20A90.3Very high90.3Very high29 Ų2958.7 Ų58.724%0.2436%0.355CS..SBendtrans-109.8151.3-17800000112.1C14 C36C14-A20 WeakPolarHBondContact CB-O 3.43Å; C14-A20 PolarHBondContact N-O 3.45Å; A20-C36 HydrophobicContact CB-CB 3.52Å
21P91.4Very high90.9Very high80 Ų8060.5 Ų60.552%0.51937%0.374SS..BIsolated β-bridgetrans-62.8143.7171.728-34.2000110.5A23 C36P21-A23 PolarHBondContact O-N 3.25Å; P21-C36 WeakPolarHBondContact O-CA 3.44Å; P21-C36 VanDerWaalsContact O-CB 3.27Å; P21-C36 WeakPolarHBondContact O-CB 3.31Å
22A93.9Very high91.3Very high7 Ų761.1 Ų61.16%0.05838%0.381CS..  trans-69.6127.9173.500000109.5R12 F34 L35 M55R12-A22 HydrophobicContact CB-CB 4.41Å; R12-A22 HydrophobicContact CG-CB 4.42Å; R12-A22 WeakPolarHBondContact O-CB 3.34Å; R12-A22 PolarHBondContact O-N 2.89Å; A22-F34 HydrophobicContact CB-CB 3.86Å; A22-L35 CarbonylContact C-O 3.56Å; A22-L35 WeakPolarHBondContact CA-O 3.42Å; A22-M55 HydrophobicContact CB-CG 4.49Å
23A93.4Very high91.4Very high28 Ų2857.2 Ų57.223%0.23137%0.37CS..  trans-106.1-25.4176.100000111.7P21 L35 T37 M55P21-A23 PolarHBondContact O-N 3.25Å; A23-L35 PolarHBondContact N-O 2.72Å; A23-T37 HydrophobicContact CB-CG2 3.67Å; A23-M55 VanDerWaalsContact C-CG 3.44Å; A23-M55 WeakPolarHBondContact O-CG 3.4Å; A23-M55 PolarHBondContact O-N 3.14Å
24V94.5Very high91.5Very high1 Ų152.2 Ų52.21%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-134.1143.7-173.2179.20000110L35 D40 R52 V53 W54 I101V24-L35 PolarHBondContact N-O 3.15Å; V24-L35 PolarHBondContact O-N 2.74Å; V24-D40 HydrophobicContact CB-CB 4.49Å; V24-D40 HydrophobicContact CG2-CB 4.45Å; V24-R52 HydrophobicContact CG1-CB 3.7Å; V24-R52 HydrophobicContact CG1-CG 4.31Å; V24-V53 WeakPolarHBondContact CA-O 3.37Å; V24-W54 HydrophobicContact CG2-CE3 4Å; V24-W54 HydrophobicContact CG2-CZ3 3.98Å; V24-I101 HydrophobicContact CG1-CD1 3.81Å; V24-I101 HydrophobicContact CG2-CD1 3.88Å
25H95.2Very high91.5Very high25 Ų2552.4 Ų52.412%0.11635%0.353CS..EExtended strand (participates in β ladder)trans-110.6122.5168.2174.3-96.7000109.8S33 F34 R52 V53 M55 P63H25-S33 CarbonylContact C-O 3.58Å; H25-S33 WeakPolarHBondContact CA-O 3.03Å; H25-F34 HydrophobicContact CB-CD1 4Å; H25-F34 HydrophobicContact CB-CE1 3.98Å; H25-F34 AromaticContact CD2-CD1 3.71Å; H25-F34 AromaticContact CD2-CE1 3.38Å; H25-F34 WeakPolarHBondContact CD2-CE1 3Å; H25-F34 AromaticContact CD2-CE2 3.83Å; H25-F34 AromaticContact CD2-CZ 3.45Å; H25-F34 VanDerWaalsContact CD2-CZ 3.45Å; H25-F34 WeakPolarHBondContact CD2-CZ 3.29Å; H25-F34 AromaticContact CG-CE1 3.94Å; H25-R52 WeakPolarHBondContact O-CA 3.5Å; H25-V53 PolarHBondContact N-O 3.04Å; H25-V53 PolarHBondContact O-N 2.69Å; H25-M55 HydrophobicContact CB-SD 4.04Å; H25-P63 HydrophobicContact CB-CB 3.96Å
26C93.9Very high91.6Very high0 Ų049.5 Ų49.50%032%0.323CS..EExtended strand (participates in β ladder)trans-94.8110.4177.4-174.60000109.6C29 G32 S33 L35 H50 R52C26-C29 HydrophobicContact CB-CB 4.45Å; C26-C29 PolarHBondContact SG-SG 3.21Å; C26-G32 WeakPolarHBondContact O-CA 3.17Å; C26-S33 WeakPolarHBondContact CB-OG 3.38Å; C26-S33 PolarHBondContact N-O 3.22Å; C26-S33 PolarHBondContact O-N 3.44Å; C26-S33 VanDerWaalsContact O-N 3.1Å; C26-L35 HydrophobicContact CB-CD1 4.13Å; C26-H50 VanDerWaalsContact SG-CB 3.58Å; C26-H50 PolarHBondContact SG-ND1 3Å; C26-R52 HydrophobicContact CB-CG 4.14Å
27R92Very high91.6Very high114 Ų11451.2 Ų51.243%0.4333%0.331SS..SBendtrans-74.1-28.5-175.4-68.4177174.5-180-2.2113.3E51R27-E51 HydrophobicContact CB-CB 4.49Å; R27-E51 VanDerWaalsContact CD-OE1 3.3Å; R27-E51 WeakPolarHBondContact CD-OE1 3.45Å; R27-E51 IonicContact CZ-OE1 3.46Å; R27-E51 PolarHBondContact N-O 3.45Å; R27-E51 IonicContact NE-OE1 3.44Å; R27-E51 IonicContact NH1-OE1 3.08Å; R27-E51 PolarHBondContact NH1-OE1 2.89Å
28T91.1Very high91.6Very high71 Ų7153 Ų5344%0.43634%0.34SS..SBendtrans-85.1-14.8-175.853.90000114H50 E51T28-H50 VanDerWaalsContact OG1-CA 3.29Å; T28-H50 WeakPolarHBondContact OG1-CA 3.38Å; T28-H50 WeakPolarHBondContact OG1-CB 3.45Å; T28-H50 PolarHBondContact OG1-CD2 3.3Å; T28-H50 PolarHBondContact OG1-ND1 3.27Å; T28-H50 VanDerWaalsContact OG1-ND1 3.16Å; T28-E51 HydrophobicContact CG2-CB 3.89Å
29C89.4Confident91.7Very high25 Ų2545.8 Ų45.817%0.16931%0.307CS..SBendtrans-68.6147.1173.1-77.90000109.9C26 G31 G32 S33 H45C26-C29 HydrophobicContact CB-CB 4.45Å; C26-C29 PolarHBondContact SG-SG 3.21Å; C29-G31 PolarHBondContact O-N 3.28Å; C29-G32 PolarHBondContact O-N 3.39Å; C29-S33 WeakPolarHBondContact CB-OG 3.42Å; C29-S33 PolarHBondContact SG-OG 3.2Å; C29-S33 VanDerWaalsContact SG-OG 3.39Å; C29-H45 PolarHBondContact SG-CE1 3.39Å; C29-H45 PolarHBondContact SG-ND1 3.2Å; C29-H45 VanDerWaalsContact SG-ND1 3.42Å
30V85.5Confident91.9Very high157 Ų15743.3 Ų43.395%0.95228%0.277SS*.THydrogen-bonded Turntrans-54.2114177.7-1780000109.6G32V30-G32 VanDerWaalsContact C-N 3.35Å
31G84.5Confident91.8Very high85 Ų8545.3 Ų45.388%0.87629%0.294SS*.THydrogen-bonded Turntrans80.42.9-178.900000116.3C29C29-G31 PolarHBondContact O-N 3.28Å
32G90.4Very high91.6Very high17 Ų1747.5 Ų47.518%0.17529%0.291CS..  trans73.5109.5-176.500000112.2C26 C29 V30C26-G32 WeakPolarHBondContact O-CA 3.17Å; C29-G32 PolarHBondContact O-N 3.39Å; V30-G32 VanDerWaalsContact C-N 3.35Å
33S93.1Very high90.9Very high29 Ų2950.8 Ų50.820%0.20331%0.312CS..EExtended strand (participates in β ladder)trans-100142.6-177.5690000111.8H25 C26 C29H25-S33 CarbonylContact C-O 3.58Å; H25-S33 WeakPolarHBondContact CA-O 3.03Å; C26-S33 WeakPolarHBondContact CB-OG 3.38Å; C26-S33 PolarHBondContact N-O 3.22Å; C26-S33 PolarHBondContact O-N 3.44Å; C26-S33 VanDerWaalsContact O-N 3.1Å; C29-S33 WeakPolarHBondContact CB-OG 3.42Å; C29-S33 PolarHBondContact SG-OG 3.2Å; C29-S33 VanDerWaalsContact SG-OG 3.39Å
34F94.9Very high90.2Very high33 Ų3351.8 Ų51.815%0.14532%0.321CS..EExtended strand (participates in β ladder)trans-105.3122176.8-67.1-87000109.9R12 C14 G15 A22 H25 M55R12-F34 HydrophobicContact CG-CB 4.34Å; R12-F34 HydrophobicContact CG-CD1 4.5Å; R12-F34 HydrophobicContact CG-CG 4.27Å; C14-F34 CarbonylContact C-O 3.51Å; C14-F34 WeakPolarHBondContact CA-O 3.4Å; G15-F34 PolarHBondContact N-O 3.24Å; A22-F34 HydrophobicContact CB-CB 3.86Å; H25-F34 HydrophobicContact CB-CD1 4Å; H25-F34 HydrophobicContact CB-CE1 3.98Å; H25-F34 AromaticContact CD2-CD1 3.71Å; H25-F34 AromaticContact CD2-CE1 3.38Å; H25-F34 WeakPolarHBondContact CD2-CE1 3Å; H25-F34 AromaticContact CD2-CE2 3.83Å; H25-F34 AromaticContact CD2-CZ 3.45Å; H25-F34 VanDerWaalsContact CD2-CZ 3.45Å; H25-F34 WeakPolarHBondContact CD2-CZ 3.29Å; H25-F34 AromaticContact CG-CE1 3.94Å; F34-M55 HydrophobicContact CD1-CE 3.78Å; F34-M55 HydrophobicContact CD1-SD 3.5Å; F34-M55 WeakPolarHBondContact CD1-SD 3.33Å; F34-M55 HydrophobicContact CE1-CE 3.73Å; F34-M55 HydrophobicContact CE1-SD 3.59Å; F34-M55 VanDerWaalsContact CE1-SD 3.59Å
35L93.9Very high89.4Confident4 Ų453 Ų532%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-124137.9-167.5-56.6172.9000110.1A22 A23 V24 C26 C39 D40 H45A22-L35 CarbonylContact C-O 3.56Å; A22-L35 WeakPolarHBondContact CA-O 3.42Å; A23-L35 PolarHBondContact N-O 2.72Å; V24-L35 PolarHBondContact N-O 3.15Å; V24-L35 PolarHBondContact O-N 2.74Å; C26-L35 HydrophobicContact CB-CD1 4.13Å; L35-C39 HydrophobicContact CB-CB 4.43Å; L35-C39 HydrophobicContact CD2-CB 4.21Å; L35-D40 HydrophobicContact CB-CB 4.16Å; L35-D40 HydrophobicContact CD1-CB 4.5Å; L35-H45 HydrophobicContact CD1-CB 4.04Å; L35-H45 WeakPolarHBondContact CD1-CD2 3.45Å
36C94.1Very high88.2Confident2 Ų254 Ų541%0.01434%0.338CS..  trans-73166.416262.90000109.6C14 A20 P21 T38 C39 D40C14-C36 HydrophobicContact CB-CB 3.84Å; C14-C36 PolarHBondContact SG-N 3.45Å; C14-C36 VanDerWaalsContact SG-SG 3.7Å; A20-C36 HydrophobicContact CB-CB 3.52Å; P21-C36 WeakPolarHBondContact O-CA 3.44Å; P21-C36 VanDerWaalsContact O-CB 3.27Å; P21-C36 WeakPolarHBondContact O-CB 3.31Å; C36-T38 PolarHBondContact O-N 3.16Å; C36-T38 VanDerWaalsContact O-N 3.15Å; C36-T38 PolarHBondContact SG-OG1 3.15Å; C36-C39 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact O-N 3.16Å; C36-C39 PolarHBondContact SG-N 2.9Å; C36-C39 VanDerWaalsContact SG-SG 3.65Å; C36-D40 WeakPolarHBondContact O-CB 3.45Å; C36-D40 PolarHBondContact O-N 2.99Å
37T91.8Very high86.8Confident92 Ų9264 Ų6456%0.56438%0.376SS*.Hα-helixtrans-56-32.7-179.454.20000113.5A23 A41A23-T37 HydrophobicContact CB-CG2 3.67Å; T37-A41 WeakPolarHBondContact O-CB 3.19Å; T37-A41 PolarHBondContact O-N 2.85Å
38T93.2Very high85.9Confident91 Ų9164.1 Ų64.156%0.55839%0.385SS*.Hα-helixtrans-77.6-37.7179.760.10000112.7C36C36-T38 PolarHBondContact O-N 3.16Å; C36-T38 VanDerWaalsContact O-N 3.15Å; C36-T38 PolarHBondContact SG-OG1 3.15Å
39C92.7Very high85.4Confident0 Ų064 Ų640%040%0.398CS..Hα-helixtrans-74.8-32.4174.6-70.90000111.9L35 C36 R42 H45L35-C39 HydrophobicContact CB-CB 4.43Å; L35-C39 HydrophobicContact CD2-CB 4.21Å; C36-C39 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact O-N 3.16Å; C36-C39 PolarHBondContact SG-N 2.9Å; C36-C39 VanDerWaalsContact SG-SG 3.65Å; C39-R42 VanDerWaalsContact O-CB 3.31Å; C39-R42 WeakPolarHBondContact O-CB 3.31Å; C39-R42 PolarHBondContact O-N 3.31Å; C39-H45 PolarHBondContact O-CD2 3.36Å
40D91.7Very high85.5Confident20 Ų2064.7 Ų64.711%0.10740%0.398CS..Hα-helixtrans-63.6-39.8173.5-174.857.5000112.3V24 L35 C36 R42 R52V24-D40 HydrophobicContact CB-CB 4.49Å; V24-D40 HydrophobicContact CG2-CB 4.45Å; L35-D40 HydrophobicContact CB-CB 4.16Å; L35-D40 HydrophobicContact CD1-CB 4.5Å; C36-D40 WeakPolarHBondContact O-CB 3.45Å; C36-D40 PolarHBondContact O-N 2.99Å; D40-R42 PolarHBondContact O-N 3.42Å; D40-R42 VanDerWaalsContact O-N 3.14Å; D40-R52 WeakPolarHBondContact OD1-CD 3.44Å; D40-R52 IonicContact OD1-NE 3.36Å; D40-R52 PolarHBondContact OD1-NE 3.4Å; D40-R52 IonicContact OD2-NE 3.99Å
41A87.6Confident85.7Confident71 Ų7160.7 Ų60.759%0.58737%0.369SS*.THydrogen-bonded Turntrans-68.2-8.7177.200000114.1T37T37-A41 WeakPolarHBondContact O-CB 3.19Å; T37-A41 PolarHBondContact O-N 2.85Å
42R86.4Confident86.1Confident125 Ų12557.8 Ų57.847%0.47233%0.332SS..SBendtrans-66.1144.2175.5-66.9179.2-179.3-179.4-1.3109.6S16 C39 D40 A44 H45 A46S16-R42 PolarHBondContact OG-NH1 2.92Å; C39-R42 VanDerWaalsContact O-CB 3.31Å; C39-R42 WeakPolarHBondContact O-CB 3.31Å; C39-R42 PolarHBondContact O-N 3.31Å; D40-R42 PolarHBondContact O-N 3.42Å; D40-R42 VanDerWaalsContact O-N 3.14Å; R42-A44 PolarHBondContact O-N 3.16Å; R42-H45 PolarHBondContact O-N 3.35Å; R42-A46 PolarHBondContact O-N 3.39Å
43P79.1Confident86.3Confident77 Ų7757 Ų5750%0.532%0.323SS..Hα-helixtrans-57.1-26.8-174.620.4-32.1000113.5H45 R47P43-H45 PolarHBondContact O-N 3.42Å; P43-R47 HydrophobicContact CB-CG 4.14Å; P43-R47 VanDerWaalsContact O-CB 3.31Å; P43-R47 WeakPolarHBondContact O-CB 3.39Å; P43-R47 PolarHBondContact O-N 3.33Å
44A79.1Confident86.4Confident49 Ų4961.2 Ų61.241%0.40534%0.335SS..Hα-helixtrans-58.8-27.1177.300000114.5R42 L48R42-A44 PolarHBondContact O-N 3.16Å; A44-L48 WeakPolarHBondContact O-CD1 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.12Å
45H77.2Confident86.4Confident26 Ų2660.2 Ų60.212%0.1233%0.331CS..Hα-helixtrans-110.8-44.6-178.8-57.5-68.9000111.4C29 L35 C39 R42 P43 H50 R52C29-H45 PolarHBondContact SG-CE1 3.39Å; C29-H45 PolarHBondContact SG-ND1 3.2Å; C29-H45 VanDerWaalsContact SG-ND1 3.42Å; L35-H45 HydrophobicContact CD1-CB 4.04Å; L35-H45 WeakPolarHBondContact CD1-CD2 3.45Å; C39-H45 PolarHBondContact O-CD2 3.36Å; R42-H45 PolarHBondContact O-N 3.35Å; P43-H45 PolarHBondContact O-N 3.42Å; H45-H50 AromaticContact ND1-ND1 3.89Å; H45-R52 PolarHBondContact O-NH1 2.94Å
46A70.4Confident86.5Confident45 Ų4560 Ų6037%0.37233%0.33SS..Hα-helixtrans-71.7-36.4-177.800000113.5R42R42-A46 PolarHBondContact O-N 3.39Å
47R65.8Low86.5Confident212 Ų21264.3 Ų64.380%0.835%0.35SS*.THydrogen-bonded Turntrans-94.1-21.7-173.9-60.4-173.7180-174.2-3.2114.3P43 G49P43-R47 HydrophobicContact CB-CG 4.14Å; P43-R47 VanDerWaalsContact O-CB 3.31Å; P43-R47 WeakPolarHBondContact O-CB 3.39Å; P43-R47 PolarHBondContact O-N 3.33Å; R47-G49 PolarHBondContact O-N 3.15Å
48L72.6Confident86.4Confident115 Ų11561.7 Ų61.760%0.60233%0.334SS*.THydrogen-bonded Turntrans-8110.9-178.2-61.9-171.8000113.6A44 H50A44-L48 WeakPolarHBondContact O-CD1 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.12Å; L48-H50 PolarHBondContact O-CD2 3.01Å; L48-H50 PolarHBondContact O-N 3.16Å
49G80.5Confident86.4Confident69 Ų6957.8 Ų57.871%0.71131%0.31SS*.THydrogen-bonded Turntrans63.524-179.600000113.3R47 E51R47-G49 PolarHBondContact O-N 3.15Å; G49-E51 PolarHBondContact O-N 2.66Å
50H90.5Very high86.4Confident39 Ų3959.9 Ų59.918%0.18132%0.32CS..  trans-64.4134179.8-78.7-157.2000110.6C26 T28 H45 L48 R52C26-H50 VanDerWaalsContact SG-CB 3.58Å; C26-H50 PolarHBondContact SG-ND1 3Å; T28-H50 VanDerWaalsContact OG1-CA 3.29Å; T28-H50 WeakPolarHBondContact OG1-CA 3.38Å; T28-H50 WeakPolarHBondContact OG1-CB 3.45Å; T28-H50 PolarHBondContact OG1-CD2 3.3Å; T28-H50 PolarHBondContact OG1-ND1 3.27Å; T28-H50 VanDerWaalsContact OG1-ND1 3.16Å; H45-H50 AromaticContact ND1-ND1 3.89Å; L48-H50 PolarHBondContact O-CD2 3.01Å; L48-H50 PolarHBondContact O-N 3.16Å; H50-R52 HydrophobicContact CB-CG 4.3Å; H50-R52 WeakPolarHBondContact O-CG 3.43Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 PolarHBondContact O-NH1 3.35Å
51E91Very high86.4Confident73 Ų7362.5 Ų62.534%0.34133%0.334SS..  trans-72117.7173.7-167.5-166.315000109.3R27 T28 G49 P100R27-E51 HydrophobicContact CB-CB 4.49Å; R27-E51 VanDerWaalsContact CD-OE1 3.3Å; R27-E51 WeakPolarHBondContact CD-OE1 3.45Å; R27-E51 IonicContact CZ-OE1 3.46Å; R27-E51 PolarHBondContact N-O 3.45Å; R27-E51 IonicContact NE-OE1 3.44Å; R27-E51 IonicContact NH1-OE1 3.08Å; R27-E51 PolarHBondContact NH1-OE1 2.89Å; T28-E51 HydrophobicContact CG2-CB 3.89Å; G49-E51 PolarHBondContact O-N 2.66Å; E51-P100 HydrophobicContact CG-CB 3.58Å; E51-P100 HydrophobicContact CG-CG 3.68Å
52R92.5Very high86.8Confident24 Ų2460.6 Ų60.69%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-126.5142.2-173.5-62.9-175.7-39.2-76.14.4109.7V24 H25 C26 D40 H45 H50 P100 I101V24-R52 HydrophobicContact CG1-CB 3.7Å; V24-R52 HydrophobicContact CG1-CG 4.31Å; H25-R52 WeakPolarHBondContact O-CA 3.5Å; C26-R52 HydrophobicContact CB-CG 4.14Å; D40-R52 WeakPolarHBondContact OD1-CD 3.44Å; D40-R52 IonicContact OD1-NE 3.36Å; D40-R52 PolarHBondContact OD1-NE 3.4Å; D40-R52 IonicContact OD2-NE 3.99Å; H45-R52 PolarHBondContact O-NH1 2.94Å; H50-R52 HydrophobicContact CB-CG 4.3Å; H50-R52 WeakPolarHBondContact O-CG 3.43Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 PolarHBondContact O-NH1 3.35Å; R52-P100 CarbonylContact O-C 3.59Å; R52-P100 WeakPolarHBondContact O-CA 3.44Å; R52-I101 HydrophobicContact CB-CB 4.21Å; R52-I101 HydrophobicContact CB-CD1 4.15Å; R52-I101 WeakPolarHBondContact O-CG1 2.81Å; R52-I101 PolarHBondContact O-N 3.18Å
53V94.6Very high87.2Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-135.1144.8-179-178.90000109.2V24 H25 A64 V98V24-V53 WeakPolarHBondContact CA-O 3.37Å; H25-V53 PolarHBondContact N-O 3.04Å; H25-V53 PolarHBondContact O-N 2.69Å; V53-A64 HydrophobicContact CG1-CB 4.4Å; V53-A64 VanDerWaalsContact CG1-O 3.27Å; V53-A64 WeakPolarHBondContact CG1-O 3.35Å; V53-V98 HydrophobicContact CG1-CB 4.36Å; V53-V98 HydrophobicContact CG1-CG1 3.71Å
54W95.3Very high88.1Confident119 Ų11953.1 Ų53.145%0.45129%0.286SS..EExtended strand (participates in β ladder)trans-61.3153.6177.2-62.8108.4000112.3V24 A64 V74 I101V24-W54 HydrophobicContact CG2-CE3 4Å; V24-W54 HydrophobicContact CG2-CZ3 3.98Å; W54-A64 HydrophobicContact CB-CB 4.47Å; W54-A64 VanDerWaalsContact O-CB 3.27Å; W54-A64 WeakPolarHBondContact O-CB 3.49Å; W54-A64 PolarHBondContact O-N 2.8Å; W54-V74 HydrophobicContact CB-CG2 3.81Å; W54-V74 HydrophobicContact CG-CG2 4.49Å; W54-I101 HydrophobicContact CD2-CD1 3.8Å; W54-I101 HydrophobicContact CD2-CG1 4.33Å; W54-I101 HydrophobicContact CE3-CD1 4.23Å; W54-I101 HydrophobicContact CG-CD1 4.18Å; W54-I101 HydrophobicContact CG-CG1 4.45Å; W54-I101 HydrophobicContact CH2-CD1 4.43Å; W54-I101 HydrophobicContact CZ2-CD1 4.03Å; W54-I101 HydrophobicContact CZ2-CG1 4.27Å
55M95.4Very high88.9Confident11 Ų1152.9 Ų52.95%0.05428%0.284CS..BIsolated β-bridgetrans-78.7150.6168.5-67.3-64.1-69.900110.7R12 A22 A23 H25 F34 E57 L61R12-M55 HydrophobicContact CB-CE 4.33Å; A22-M55 HydrophobicContact CB-CG 4.49Å; A23-M55 VanDerWaalsContact C-CG 3.44Å; A23-M55 WeakPolarHBondContact O-CG 3.4Å; A23-M55 PolarHBondContact O-N 3.14Å; H25-M55 HydrophobicContact CB-SD 4.04Å; F34-M55 HydrophobicContact CD1-CE 3.78Å; F34-M55 HydrophobicContact CD1-SD 3.5Å; F34-M55 WeakPolarHBondContact CD1-SD 3.33Å; F34-M55 HydrophobicContact CE1-CE 3.73Å; F34-M55 HydrophobicContact CE1-SD 3.59Å; F34-M55 VanDerWaalsContact CE1-SD 3.59Å; M55-E57 PolarHBondContact O-N 3.2Å; M55-L61 VanDerWaalsContact CE-C 3.47Å
56C95.7Very high89.8Confident1 Ų152.9 Ų52.91%0.00729%0.285CS..PPolyproline II helixtrans-58.7126.3173.8176.90000110.9V58 C59 E60 A62 C76 C79C56-V58 PolarHBondContact O-N 2.87Å; C56-C59 VanDerWaalsContact SG-SG 3.61Å; C56-E60 WeakPolarHBondContact O-CA 3.35Å; C56-E60 PolarHBondContact O-N 3.26Å; C56-A62 WeakPolarHBondContact CB-O 3.45Å; C56-A62 PolarHBondContact N-O 3.47Å; C56-C76 HydrophobicContact CB-CB 3.79Å; C56-C76 PolarHBondContact SG-N 2.88Å; C56-C76 VanDerWaalsContact SG-SG 3.69Å; C56-C79 VanDerWaalsContact SG-SG 3.68Å
57E92.6Very high91Very high91 Ų9151.2 Ų51.243%0.42527%0.271SS..THydrogen-bonded Turntrans-70.3-19.7-177.4-67.9179.6-175.600113.8M55 V74M55-E57 PolarHBondContact O-N 3.2Å; E57-V74 HydrophobicContact CG-CG2 3.82Å; E57-V74 PolarHBondContact N-O 3.15Å
58V91.6Very high92.4Very high37 Ų3741.1 Ų41.122%0.22423%0.233CC..THydrogen-bonded Turntrans-86.5-61.2-176.7177.90000110.3C56 L75 C79 I83 R286C56-V58 PolarHBondContact O-N 2.87Å; V58-L75 HydrophobicContact CB-CD2 4.39Å; V58-L75 HydrophobicContact CG2-CD2 3.4Å; V58-L75 VanDerWaalsContact CG2-CD2 3.4Å; V58-C79 HydrophobicContact CB-CB 4.2Å; V58-C79 HydrophobicContact CG1-CB 4.44Å; V58-I83 HydrophobicContact CG2-CD1 3.8Å; V58-R286 PolarHBondContact O-NH2 3.39Å
59C92.1Very high93.4Very high10 Ų1038.6 Ų38.67%0.06822%0.217CC..THydrogen-bonded Turntrans-88-28.1-176.671.10000113.3C56 L61 C76C56-C59 VanDerWaalsContact SG-SG 3.61Å; C59-L61 WeakPolarHBondContact O-CG 3.4Å; C59-L61 PolarHBondContact O-N 2.83Å; C59-L61 VanDerWaalsContact O-N 3.13Å; C59-C76 VanDerWaalsContact SG-SG 3.69Å
60E93Very high93.9Very high43 Ų4338.3 Ų38.320%0.20121%0.208CC..SBendtrans56.319.3-175.1-57.4-179.8168.500114.6R12 C56 R286R12-E60 PolarHBondContact N-O 2.82Å; C56-E60 WeakPolarHBondContact O-CA 3.35Å; C56-E60 PolarHBondContact O-N 3.26Å; E60-R286 WeakPolarHBondContact OE1-CD 3.29Å; E60-R286 IonicContact OE1-CZ 3.61Å; E60-R286 IonicContact OE1-NE 3.82Å; E60-R286 PolarHBondContact OE1-NE 3.37Å; E60-R286 VanDerWaalsContact OE1-NE 3.08Å; E60-R286 IonicContact OE1-NH1 2.72Å; E60-R286 PolarHBondContact OE1-NH1 3.46Å; E60-R286 IonicContact OE2-CZ 3.6Å; E60-R286 IonicContact OE2-NE 2.68Å; E60-R286 IonicContact OE2-NH1 2.76Å; E60-R286 PolarHBondContact OE2-NH1 3Å; E60-R286 IonicContact OE2-NH2 3.78Å
61L92.5Very high94Very high75 Ų7540 Ų4039%0.39322%0.218SC..SBendtrans-108.2-31.5-177-67.5175000113.1R12 M55 C59R12-L61 HydrophobicContact CB-CD2 4.48Å; R12-L61 PolarHBondContact NE-O 2.99Å; M55-L61 VanDerWaalsContact CE-C 3.47Å; C59-L61 WeakPolarHBondContact O-CG 3.4Å; C59-L61 PolarHBondContact O-N 2.83Å; C59-L61 VanDerWaalsContact O-N 3.13Å
62A94.5Very high94Very high32 Ų3240 Ų4026%0.26423%0.231SC..SBendtrans-119.2151.1-17400000111.1C56 C76C56-A62 WeakPolarHBondContact CB-O 3.45Å; C56-A62 PolarHBondContact N-O 3.47Å; A62-C76 HydrophobicContact CB-CB 3.79Å
63P95.7Very high94Very high44 Ų4439.5 Ų39.529%0.28623%0.232SC..BIsolated β-bridgetrans-62.2145.317127.6-34.1000110.6H25 C76H25-P63 HydrophobicContact CB-CB 3.96Å; P63-C76 WeakPolarHBondContact O-CB 3.35Å
64A96.6Very high94.1Very high1 Ų140.5 Ų40.51%0.00824%0.238CC..  trans-66.3144.1174.500000110.3V53 W54 V74 L75 V98V53-A64 HydrophobicContact CG1-CB 4.4Å; V53-A64 VanDerWaalsContact CG1-O 3.27Å; V53-A64 WeakPolarHBondContact CG1-O 3.35Å; W54-A64 HydrophobicContact CB-CB 4.47Å; W54-A64 VanDerWaalsContact O-CB 3.27Å; W54-A64 WeakPolarHBondContact O-CB 3.49Å; W54-A64 PolarHBondContact O-N 2.8Å; A64-V74 HydrophobicContact CB-CB 3.87Å; A64-V74 HydrophobicContact CB-CG2 4.1Å; A64-L75 WeakPolarHBondContact CA-O 3.34Å; A64-V98 HydrophobicContact CB-CG2 3.85Å
65A96.6Very high94.1Very high43 Ų4334.9 Ų34.936%0.35522%0.217SC..  trans-122.1-30.8177.200000111.5L75 P97 V98A65-L75 PolarHBondContact N-O 2.82Å; A65-P97 WeakPolarHBondContact O-CA 3.3Å; A65-V98 PolarHBondContact O-N 2.81Å
66V96.6Very high94.2Very high26 Ų2634.7 Ų34.716%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-127.6140-176.2-179.30000110.1L75 D80 R95 V98V66-L75 PolarHBondContact N-O 3.13Å; V66-L75 PolarHBondContact O-N 3.08Å; V66-D80 HydrophobicContact CB-CB 4.47Å; V66-D80 HydrophobicContact CG2-CB 4.46Å; V66-R95 HydrophobicContact CG1-CB 3.68Å; V66-R95 HydrophobicContact CG1-CG 4.03Å; V66-V98 VanDerWaalsContact C-CG2 3.41Å
67T95.9Very high94.2Very high11 Ų1137.9 Ų37.97%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-103.4126.8164.866.10000108.5A73 V74 R95 V96 V98 M113T67-A73 WeakPolarHBondContact CA-O 3.3Å; T67-V74 HydrophobicContact CG2-CG1 3.81Å; T67-R95 WeakPolarHBondContact O-CA 3.38Å; T67-V96 PolarHBondContact N-O 3.41Å; T67-V96 PolarHBondContact O-N 3.01Å; T67-V96 WeakPolarHBondContact OG1-CG2 3.29Å; T67-V96 PolarHBondContact OG1-O 3.35Å; T67-V96 VanDerWaalsContact OG1-O 3.11Å; T67-V98 HydrophobicContact CG2-CB 4.16Å; T67-V98 HydrophobicContact CG2-CG1 4.41Å; T67-V98 HydrophobicContact CG2-CG2 3.51Å; T67-M113 HydrophobicContact CG2-CE 4.37Å
68C95.2Very high94.3Very high0 Ų036.2 Ų36.20%025%0.245CC..EExtended strand (participates in β ladder)trans-97.9114172178.90000108.3D71 A72 A73 H84 H93 R95C68-D71 HydrophobicContact CB-CB 4.14Å; C68-D71 PolarHBondContact SG-N 3.1Å; C68-D71 VanDerWaalsContact SG-N 3.44Å; C68-D71 PolarHBondContact SG-OD2 2.81Å; C68-A72 WeakPolarHBondContact O-CA 3.29Å; C68-A72 PolarHBondContact O-N 2.75Å; C68-A73 PolarHBondContact N-O 3.01Å; C68-A73 PolarHBondContact O-N 2.87Å; C68-H84 PolarHBondContact SG-NE2 2.95Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C68-H93 VanDerWaalsContact SG-CB 3.54Å; C68-R95 HydrophobicContact CB-CG 4.42Å
69K92.3Very high94.5Very high61 Ų6135 Ų3527%0.26524%0.238SC..THydrogen-bonded Turntrans-65-40.5-178.7-64-173.3-172.6176.20111.7A72 A94 E119K69-A72 PolarHBondContact O-N 2.86Å; K69-A94 HydrophobicContact CB-CB 4.4Å; K69-A94 HydrophobicContact CD-CB 4.09Å; K69-A94 HydrophobicContact CG-CB 4.4Å; K69-A94 PolarHBondContact N-O 2.88Å; K69-E119 IonicContact NZ-OE2 3.74Å; K69-E119 PolarHBondContact NZ-OE2 2.81Å
70A92.4Very high94.7Very high64 Ų6435.4 Ų35.453%0.52924%0.239SC..THydrogen-bonded Turntrans-70.1-36.8-176.800000112.9A72 H93A70-A72 VanDerWaalsContact C-N 3.33Å; A70-H93 HydrophobicContact CB-CB 3.79Å; A70-H93 VanDerWaalsContact CB-CG 3.41Å
71D91.7Very high94.8Very high74 Ų7435.5 Ų35.540%0.39624%0.244SC..THydrogen-bonded Turntrans-88.7-3.8176.6-62.2-51.3000112.7C68 A73 H84 H93C68-D71 HydrophobicContact CB-CB 4.14Å; C68-D71 PolarHBondContact SG-N 3.1Å; C68-D71 VanDerWaalsContact SG-N 3.44Å; C68-D71 PolarHBondContact SG-OD2 2.81Å; D71-A73 HydrophobicContact CB-CB 4.13Å; D71-A73 PolarHBondContact O-N 2.9Å; D71-H84 IonicContact OD2-NE2 3.41Å; D71-H93 IonicContact OD1-CE1 2.84Å; D71-H93 PolarHBondContact OD1-CE1 2.77Å; D71-H93 VanDerWaalsContact OD1-CE1 3.32Å; D71-H93 IonicContact OD1-ND1 3.11Å; D71-H93 IonicContact OD2-CE1 3.25Å; D71-H93 PolarHBondContact OD2-CE1 3.41Å; D71-H93 IonicContact OD2-ND1 2.94Å; D71-H93 PolarHBondContact OD2-ND1 3.32Å
72A92.1Very high94.9Very high74 Ų7436.4 Ų36.461%0.61225%0.25SC*.THydrogen-bonded Turntrans46.142.5-172.900000112.7C68 K69 A70C68-A72 WeakPolarHBondContact O-CA 3.29Å; C68-A72 PolarHBondContact O-N 2.75Å; K69-A72 PolarHBondContact O-N 2.86Å; A70-A72 VanDerWaalsContact C-N 3.33Å
73A92.8Very high94.9Very high12 Ų1237.8 Ų37.810%0.09925%0.252CS..EExtended strand (participates in β ladder)trans-128.9145.2-16900000112.1T67 C68 D71 L75T67-A73 WeakPolarHBondContact CA-O 3.3Å; C68-A73 PolarHBondContact N-O 3.01Å; C68-A73 PolarHBondContact O-N 2.87Å; D71-A73 HydrophobicContact CB-CB 4.13Å; D71-A73 PolarHBondContact O-N 2.9Å; A73-L75 HydrophobicContact CB-CD2 4.23Å; A73-L75 HydrophobicContact CB-CG 4.41Å
74V95.2Very high94.9Very high21 Ų2135.7 Ų35.713%0.12724%0.238CC..EExtended strand (participates in β ladder)trans-103.4120.5170.1-54.50000110.6W54 E57 A64 T67W54-V74 HydrophobicContact CB-CG2 3.81Å; W54-V74 HydrophobicContact CG-CG2 4.49Å; E57-V74 HydrophobicContact CG-CG2 3.82Å; E57-V74 PolarHBondContact N-O 3.15Å; A64-V74 HydrophobicContact CB-CB 3.87Å; A64-V74 HydrophobicContact CB-CG2 4.1Å; T67-V74 HydrophobicContact CG2-CG1 3.81Å
75L95.6Very high94.7Very high2 Ų239.8 Ų39.81%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-122.3145-168.8-57.2179000111V58 A64 A65 V66 A73 C79 D80 I83V58-L75 HydrophobicContact CB-CD2 4.39Å; V58-L75 HydrophobicContact CG2-CD2 3.4Å; V58-L75 VanDerWaalsContact CG2-CD2 3.4Å; A64-L75 WeakPolarHBondContact CA-O 3.34Å; A65-L75 PolarHBondContact N-O 2.82Å; V66-L75 PolarHBondContact N-O 3.13Å; V66-L75 PolarHBondContact O-N 3.08Å; A73-L75 HydrophobicContact CB-CD2 4.23Å; A73-L75 HydrophobicContact CB-CG 4.41Å; L75-C79 HydrophobicContact CB-CB 4.48Å; L75-C79 HydrophobicContact CD2-CB 4.47Å; L75-D80 HydrophobicContact CB-CB 4.32Å; L75-I83 HydrophobicContact CD1-CD1 4.02Å; L75-I83 HydrophobicContact CD2-CD1 4.14Å
76C96.7Very high94.5Very high7 Ų741.9 Ų41.95%0.04728%0.277CS..  trans-74.3162.5163.3690000110.1C56 C59 A62 P63 A78 C79 D80C56-C76 HydrophobicContact CB-CB 3.79Å; C56-C76 PolarHBondContact SG-N 2.88Å; C56-C76 VanDerWaalsContact SG-SG 3.69Å; C59-C76 VanDerWaalsContact SG-SG 3.69Å; A62-C76 HydrophobicContact CB-CB 3.79Å; P63-C76 WeakPolarHBondContact O-CB 3.35Å; C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.97Å; C76-C79 PolarHBondContact O-N 3.02Å; C76-C79 VanDerWaalsContact O-N 3.17Å; C76-D80 WeakPolarHBondContact O-CB 3.4Å; C76-D80 PolarHBondContact O-N 2.86Å
77A96.3Very high94.1Very high67 Ų6744 Ų4455%0.55429%0.288SS*.Hα-helixtrans-54.8-38.7-177.600000113.8D80 S81A77-D80 PolarHBondContact O-N 3.39Å; A77-S81 PolarHBondContact O-N 3.3Å; A77-S81 VanDerWaalsContact O-N 3.1Å; A77-S81 PolarHBondContact O-OG 3.21Å
78A95.9Very high94Very high57 Ų5747.9 Ų47.947%0.47131%0.313SS..Hα-helixtrans-69.2-44.317900000112.7C76 D80 S81 D82C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.97Å; A78-D80 VanDerWaalsContact C-N 3.29Å; A78-D80 PolarHBondContact O-N 3.02Å; A78-S81 PolarHBondContact O-N 3.4Å; A78-S81 PolarHBondContact O-OG 2.72Å; A78-D82 WeakPolarHBondContact O-CB 3.5Å; A78-D82 PolarHBondContact O-N 2.92Å
79C95.1Very high93.9Very high12 Ų1253.5 Ų53.58%0.08134%0.342CS..Hα-helixtrans-68.6-32.1176.1-67.10000111.7C56 V58 L75 C76 I83C56-C79 VanDerWaalsContact SG-SG 3.68Å; V58-C79 HydrophobicContact CB-CB 4.2Å; V58-C79 HydrophobicContact CG1-CB 4.44Å; L75-C79 HydrophobicContact CB-CB 4.48Å; L75-C79 HydrophobicContact CD2-CB 4.47Å; C76-C79 PolarHBondContact O-N 3.02Å; C76-C79 VanDerWaalsContact O-N 3.17Å; C79-I83 VanDerWaalsContact O-CB 3.31Å; C79-I83 WeakPolarHBondContact O-CB 3.38Å; C79-I83 WeakPolarHBondContact O-CD1 3.27Å; C79-I83 VanDerWaalsContact O-CG1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.43Å
80D96.3Very high93.9Very high18 Ų1851.1 Ų51.110%0.09633%0.334CS..Hα-helixtrans-61.1-50.6174.3-175.866.3000111.5V66 L75 C76 A77 A78 H84 R95V66-D80 HydrophobicContact CB-CB 4.47Å; V66-D80 HydrophobicContact CG2-CB 4.46Å; L75-D80 HydrophobicContact CB-CB 4.32Å; C76-D80 WeakPolarHBondContact O-CB 3.4Å; C76-D80 PolarHBondContact O-N 2.86Å; A77-D80 PolarHBondContact O-N 3.39Å; A78-D80 VanDerWaalsContact C-N 3.29Å; A78-D80 PolarHBondContact O-N 3.02Å; D80-H84 VanDerWaalsContact O-CB 3.27Å; D80-H84 WeakPolarHBondContact O-CB 3.27Å; D80-H84 PolarHBondContact O-N 2.94Å; D80-H84 PolarHBondContact O-ND1 2.57Å; D80-H84 IonicContact OD1-CE1 2.89Å; D80-H84 PolarHBondContact OD1-CE1 3.39Å; D80-H84 VanDerWaalsContact OD1-CE1 3.25Å; D80-H84 IonicContact OD1-CG 2.68Å; D80-H84 IonicContact OD1-ND1 2.57Å; D80-H84 PolarHBondContact OD1-ND1 2.68Å; D80-R95 WeakPolarHBondContact OD1-CD 3.42Å; D80-R95 IonicContact OD1-NH1 2.89Å; D80-R95 IonicContact OD2-CZ 3.2Å; D80-R95 IonicContact OD2-NH1 3.77Å; D80-R95 PolarHBondContact OD2-NH1 3.25Å
81S95.5Very high94Very high44 Ų4455 Ų5531%0.30834%0.335SS..Hα-helixtrans-62.2-46.7175.555.80000111.9A77 A78 I83 H84 D85A77-S81 PolarHBondContact O-N 3.3Å; A77-S81 VanDerWaalsContact O-N 3.1Å; A77-S81 PolarHBondContact O-OG 3.21Å; A78-S81 PolarHBondContact O-N 3.4Å; A78-S81 PolarHBondContact O-OG 2.72Å; S81-I83 VanDerWaalsContact C-N 3.31Å; S81-I83 PolarHBondContact O-N 3.25Å; S81-H84 PolarHBondContact O-N 3.11Å; S81-D85 WeakPolarHBondContact O-CB 3.39Å; S81-D85 PolarHBondContact O-N 2.69Å
82D94.8Very high94.1Very high95 Ų9561.3 Ų61.351%0.50835%0.353SS..Hα-helixtrans-62.1-37.6-176.8-71.7-12.5000112.5A78 A86A78-D82 WeakPolarHBondContact O-CB 3.5Å; A78-D82 PolarHBondContact O-N 2.92Å; D82-A86 VanDerWaalsContact O-CB 3.23Å; D82-A86 WeakPolarHBondContact O-CB 3.45Å
83I93.7Very high94.3Very high61 Ų6160.3 Ų60.331%0.31334%0.336SS..Hα-helixtrans-80-48.6-179.8-69.1168.8000110.7V58 L75 C79 S81V58-I83 HydrophobicContact CG2-CD1 3.8Å; L75-I83 HydrophobicContact CD1-CD1 4.02Å; L75-I83 HydrophobicContact CD2-CD1 4.14Å; C79-I83 VanDerWaalsContact O-CB 3.31Å; C79-I83 WeakPolarHBondContact O-CB 3.38Å; C79-I83 WeakPolarHBondContact O-CD1 3.27Å; C79-I83 VanDerWaalsContact O-CG1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.43Å; S81-I83 VanDerWaalsContact C-N 3.31Å; S81-I83 PolarHBondContact O-N 3.25Å
84H95.2Very high94.3Very high0 Ų061.5 Ų61.50%035%0.345CS..Hα-helixtrans-78.7-36.7-171.1-65.182.1000111.3C68 D71 D80 S81 A86 A90 R91C68-H84 PolarHBondContact SG-NE2 2.95Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; D71-H84 IonicContact OD2-NE2 3.41Å; D80-H84 VanDerWaalsContact O-CB 3.27Å; D80-H84 WeakPolarHBondContact O-CB 3.27Å; D80-H84 PolarHBondContact O-N 2.94Å; D80-H84 PolarHBondContact O-ND1 2.57Å; D80-H84 IonicContact OD1-CE1 2.89Å; D80-H84 PolarHBondContact OD1-CE1 3.39Å; D80-H84 VanDerWaalsContact OD1-CE1 3.25Å; D80-H84 IonicContact OD1-CG 2.68Å; D80-H84 IonicContact OD1-ND1 2.57Å; D80-H84 PolarHBondContact OD1-ND1 2.68Å; S81-H84 PolarHBondContact O-N 3.11Å; H84-A86 VanDerWaalsContact C-N 3.35Å; H84-A86 PolarHBondContact O-N 3.02Å; H84-A90 PolarHBondContact CD2-O 3.05Å; H84-R91 WeakPolarHBondContact O-CG 3.45Å; H84-R91 PolarHBondContact O-N 2.81Å
85D93.5Very high94.3Very high87 Ų8764.9 Ų64.947%0.46536%0.356SS..Hα-helixtrans-75-22.1178.1-68.2-42.3000113.9S81 N87 R91S81-D85 WeakPolarHBondContact O-CB 3.39Å; S81-D85 PolarHBondContact O-N 2.69Å; D85-N87 VanDerWaalsContact C-N 3.28Å; D85-N87 PolarHBondContact O-N 2.83Å; D85-R91 IonicContact OD1-CZ 2.69Å; D85-R91 IonicContact OD1-NE 2.77Å; D85-R91 PolarHBondContact OD1-NE 2.76Å; D85-R91 IonicContact OD1-NH2 3.75Å; D85-R91 PolarHBondContact OD1-NH2 3.11Å
86A91.9Very high94.2Very high86 Ų8667.4 Ų67.471%0.71137%0.371SS*.THydrogen-bonded Turntrans-69-22.4179.300000114.1D82 H84D82-A86 VanDerWaalsContact O-CB 3.23Å; D82-A86 WeakPolarHBondContact O-CB 3.45Å; H84-A86 VanDerWaalsContact C-N 3.35Å; H84-A86 PolarHBondContact O-N 3.02Å
87N88.2Confident94.2Very high72 Ų7272.4 Ų72.439%0.38540%0.403SS..  trans-139.4121.1-177.2-178.60000111.6D85 L89 A90 R91D85-N87 VanDerWaalsContact C-N 3.28Å; D85-N87 PolarHBondContact O-N 2.83Å; N87-L89 PolarHBondContact O-N 2.79Å; N87-L89 PolarHBondContact OD1-N 2.93Å; N87-A90 HydrophobicContact CB-CB 4.05Å; N87-A90 WeakPolarHBondContact O-CA 3.06Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.31Å; N87-R91 PolarHBondContact O-N 3.44Å; N87-R91 VanDerWaalsContact O-N 3.08Å
88P92.7Very high94.1Very high91 Ų9170 Ų7059%0.59138%0.382SS*.THydrogen-bonded Turntrans-55.3-24.5176.5-26.434.5000115.3
89L93.3Very high93.9Very high119 Ų11968.3 Ų68.362%0.62337%0.368SS*.THydrogen-bonded Turntrans-72.2-44.9172.8-64.5175.1000111.4N87 R91 R92N87-L89 PolarHBondContact O-N 2.79Å; N87-L89 PolarHBondContact OD1-N 2.93Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.4Å; L89-R92 WeakPolarHBondContact O-CB 3.25Å; L89-R92 PolarHBondContact O-N 2.9Å; L89-R92 VanDerWaalsContact O-N 3.14Å
90A93.4Very high93.7Very high10 Ų1069.5 Ų69.58%0.08338%0.376CS..G310 helixtrans-62.1-39.2177.500000110.6H84 N87 R92 H93H84-A90 PolarHBondContact CD2-O 3.05Å; N87-A90 HydrophobicContact CB-CB 4.05Å; N87-A90 WeakPolarHBondContact O-CA 3.06Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.31Å; A90-R92 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.41Å; A90-H93 VanDerWaalsContact O-CG 3.24Å; A90-H93 PolarHBondContact O-N 2.95Å
91R93.6Very high93.4Very high146 Ų14670.1 Ų70.155%0.55138%0.379SS*.G310 helixtrans-51.7-23.9175.3-61.8-173.6106-133.42.3114.9H84 D85 N87 L89H84-R91 WeakPolarHBondContact O-CG 3.45Å; H84-R91 PolarHBondContact O-N 2.81Å; D85-R91 IonicContact OD1-CZ 2.69Å; D85-R91 IonicContact OD1-NE 2.77Å; D85-R91 PolarHBondContact OD1-NE 2.76Å; D85-R91 IonicContact OD1-NH2 3.75Å; D85-R91 PolarHBondContact OD1-NH2 3.11Å; N87-R91 PolarHBondContact O-N 3.44Å; N87-R91 VanDerWaalsContact O-N 3.08Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.4Å
92R94.7Very high92.9Very high206 Ų20671.8 Ų71.878%0.77740%0.402SS*.G310 helixtrans-88.2-5.6-179.7-59.7179.1-171.5-89.51113.7L89 A90L89-R92 WeakPolarHBondContact O-CB 3.25Å; L89-R92 PolarHBondContact O-N 2.9Å; L89-R92 VanDerWaalsContact O-N 3.14Å; A90-R92 PolarHBondContact O-N 3.37Å
93H94.9Very high92.5Very high54 Ų5468.9 Ų68.925%0.2539%0.39CS..SBendtrans-64137.8176.8-65-179.5000110.6C68 A70 D71 A90 R95C68-H93 VanDerWaalsContact SG-CB 3.54Å; A70-H93 HydrophobicContact CB-CB 3.79Å; A70-H93 VanDerWaalsContact CB-CG 3.41Å; D71-H93 IonicContact OD1-CE1 2.84Å; D71-H93 PolarHBondContact OD1-CE1 2.77Å; D71-H93 VanDerWaalsContact OD1-CE1 3.32Å; D71-H93 IonicContact OD1-ND1 3.11Å; D71-H93 IonicContact OD2-CE1 3.25Å; D71-H93 PolarHBondContact OD2-CE1 3.41Å; D71-H93 IonicContact OD2-ND1 2.94Å; D71-H93 PolarHBondContact OD2-ND1 3.32Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.41Å; A90-H93 VanDerWaalsContact O-CG 3.24Å; A90-H93 PolarHBondContact O-N 2.95Å; H93-R95 PolarHBondContact O-N 3.36Å
94A93.8Very high92.1Very high36 Ų3674.4 Ų74.430%0.29841%0.414SS..  trans-67.3114.3173.200000109.6K69K69-A94 HydrophobicContact CB-CB 4.4Å; K69-A94 HydrophobicContact CD-CB 4.09Å; K69-A94 HydrophobicContact CG-CB 4.4Å; K69-A94 PolarHBondContact N-O 2.88Å
95R94.7Very high91.6Very high93 Ų9377.3 Ų77.335%0.35144%0.438SS..EExtended strand (participates in β ladder)trans-117.2119-177.6-73.6-177-71173.31.1109.5V66 T67 C68 D80 H93V66-R95 HydrophobicContact CG1-CB 3.68Å; V66-R95 HydrophobicContact CG1-CG 4.03Å; T67-R95 WeakPolarHBondContact O-CA 3.38Å; C68-R95 HydrophobicContact CB-CG 4.42Å; D80-R95 WeakPolarHBondContact OD1-CD 3.42Å; D80-R95 IonicContact OD1-NH1 2.89Å; D80-R95 IonicContact OD2-CZ 3.2Å; D80-R95 IonicContact OD2-NH1 3.77Å; D80-R95 PolarHBondContact OD2-NH1 3.25Å; H93-R95 PolarHBondContact O-N 3.36Å
96V94.6Very high91.1Very high54 Ų5474 Ų7433%0.32742%0.422SS..EExtended strand (participates in β ladder)trans-123.1146.3179.8-59.70000110.7T67T67-V96 PolarHBondContact N-O 3.41Å; T67-V96 PolarHBondContact O-N 3.01Å; T67-V96 WeakPolarHBondContact OG1-CG2 3.29Å; T67-V96 PolarHBondContact OG1-O 3.35Å; T67-V96 VanDerWaalsContact OG1-O 3.11Å
97P95.8Very high90.6Very high112 Ų11272.6 Ų72.673%0.72741%0.411SS*.EExtended strand (participates in β ladder)trans-54.3144.1177.4-2634.8000112.7A65 A99A65-P97 WeakPolarHBondContact O-CA 3.3Å; P97-A99 PolarHBondContact O-N 3.32Å
98V94.2Very high90.3Very high18 Ų1871.9 Ų71.911%0.10942%0.415CS..PPolyproline II helixtrans-71.3122.9178179.70000110V53 A64 A65 V66 T67V53-V98 HydrophobicContact CG1-CB 4.36Å; V53-V98 HydrophobicContact CG1-CG1 3.71Å; A64-V98 HydrophobicContact CB-CG2 3.85Å; A65-V98 PolarHBondContact O-N 2.81Å; V66-V98 VanDerWaalsContact C-CG2 3.41Å; T67-V98 HydrophobicContact CG2-CB 4.16Å; T67-V98 HydrophobicContact CG2-CG1 4.41Å; T67-V98 HydrophobicContact CG2-CG2 3.51Å
99A91.7Very high89.8Confident21 Ų2169 Ų6917%0.17440%0.4CS..PPolyproline II helixtrans-77.2143.3171.100000111.3P97 A105 A106P97-A99 PolarHBondContact O-N 3.32Å; A99-A105 HydrophobicContact CB-CB 3.78Å; A99-A106 HydrophobicContact CB-CB 3.8Å
100P91.7Very high89.1Confident37 Ų3767.4 Ų67.424%0.2439%0.394CS..PPolyproline II helixtrans-59.9142175.4-24.934.9000113.1E51 R52 G102 S103 A106E51-P100 HydrophobicContact CG-CB 3.58Å; E51-P100 HydrophobicContact CG-CG 3.68Å; R52-P100 CarbonylContact O-C 3.59Å; R52-P100 WeakPolarHBondContact O-CA 3.44Å; P100-G102 PolarHBondContact O-N 2.83Å; P100-S103 VanDerWaalsContact O-CB 3.31Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.24Å; P100-S103 PolarHBondContact O-OG 2.84Å; P100-A106 WeakPolarHBondContact O-CB 3.32Å
101I89.7Confident88.3Confident31 Ų3172.5 Ų72.516%0.15942%0.416CS..THydrogen-bonded Turntrans-59.3124.2177.9-58.5171000109.3V24 R52 W54V24-I101 HydrophobicContact CG1-CD1 3.81Å; V24-I101 HydrophobicContact CG2-CD1 3.88Å; R52-I101 HydrophobicContact CB-CB 4.21Å; R52-I101 HydrophobicContact CB-CD1 4.15Å; R52-I101 WeakPolarHBondContact O-CG1 2.81Å; R52-I101 PolarHBondContact O-N 3.18Å; W54-I101 HydrophobicContact CD2-CD1 3.8Å; W54-I101 HydrophobicContact CD2-CG1 4.33Å; W54-I101 HydrophobicContact CE3-CD1 4.23Å; W54-I101 HydrophobicContact CG-CD1 4.18Å; W54-I101 HydrophobicContact CG-CG1 4.45Å; W54-I101 HydrophobicContact CH2-CD1 4.43Å; W54-I101 HydrophobicContact CZ2-CD1 4.03Å; W54-I101 HydrophobicContact CZ2-CG1 4.27Å
102G84.9Confident87.6Confident78 Ų7866.7 Ų66.780%0.80440%0.399SS*.THydrogen-bonded Turntrans88.1-2.2-178.500000114.7P100P100-G102 PolarHBondContact O-N 2.83Å
103S86.5Confident86.5Confident35 Ų3560.8 Ų60.825%0.24538%0.382CS..SBendtrans-74.6151.6167.667.60000111.2P100 A105 A106 A107P100-S103 VanDerWaalsContact O-CB 3.31Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.24Å; P100-S103 PolarHBondContact O-OG 2.84Å; S103-A105 PolarHBondContact O-N 3.18Å; S103-A106 WeakPolarHBondContact O-CB 3.42Å; S103-A106 PolarHBondContact O-N 2.67Å; S103-A106 PolarHBondContact OG-N 3.46Å; S103-A107 PolarHBondContact O-N 3.28Å; S103-A107 VanDerWaalsContact O-N 3.16Å
104E84.7Confident85.7Confident176 Ų17664.2 Ų64.282%0.82240%0.401SS*.Hα-helixtrans-57.3-36.7172.9-63.8-179.4163.200111.5A106 A107 A108E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 3.08Å; E104-A107 WeakPolarHBondContact O-CB 3.14Å; E104-A107 PolarHBondContact O-N 3.13Å; E104-A107 VanDerWaalsContact O-N 3.15Å; E104-A108 PolarHBondContact O-N 3.32Å
105A85.6Confident84.8Confident61 Ų6169.3 Ų69.350%0.50442%0.417SS..Hα-helixtrans-61.6-35.3174.800000112.7A99 S103 A109A99-A105 HydrophobicContact CB-CB 3.78Å; S103-A105 PolarHBondContact O-N 3.18Å; A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.2Å
106A82.9Confident83.3Confident17 Ų1768 Ų6814%0.1443%0.433CS..Hα-helixtrans-71.1-37.7174.700000111.7A99 P100 S103 E104 A109 V110A99-A106 HydrophobicContact CB-CB 3.8Å; P100-A106 WeakPolarHBondContact O-CB 3.32Å; S103-A106 WeakPolarHBondContact O-CB 3.42Å; S103-A106 PolarHBondContact O-N 2.67Å; S103-A106 PolarHBondContact OG-N 3.46Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 3.08Å; A106-A109 PolarHBondContact O-N 2.87Å; A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.41Å; A106-V110 PolarHBondContact O-N 3.32Å
107A81.2Confident81.5Confident58 Ų5870.9 Ų70.948%0.47945%0.45SS..Hα-helixtrans-61.9-48.9173.600000110.9S103 E104 A109 V110 E111S103-A107 PolarHBondContact O-N 3.28Å; S103-A107 VanDerWaalsContact O-N 3.16Å; E104-A107 WeakPolarHBondContact O-CB 3.14Å; E104-A107 PolarHBondContact O-N 3.13Å; E104-A107 VanDerWaalsContact O-N 3.15Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 2.86Å; A107-V110 PolarHBondContact O-N 3.2Å; A107-E111 PolarHBondContact O-N 3.04Å
108A82.7Confident79.2Confident56 Ų5667.5 Ų67.546%0.46344%0.436SS..Hα-helixtrans-61.2-38.7176.400000112.7E104 E111 A112E104-A108 PolarHBondContact O-N 3.32Å; A108-E111 PolarHBondContact O-N 3Å; A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 3.1Å
109A80.6Confident76.9Confident32 Ų3273.8 Ų73.826%0.26446%0.464SS..Hα-helixtrans-65-40.8176.300000112.1A105 A106 A107 A112 M113A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.2Å; A106-A109 PolarHBondContact O-N 2.87Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 2.86Å; A109-A112 PolarHBondContact O-N 3.36Å; A109-M113 VanDerWaalsContact O-CG 3.3Å; A109-M113 WeakPolarHBondContact O-CG 3.44Å; A109-M113 PolarHBondContact O-N 2.88Å
110V78.6Confident74.4Confident84 Ų8477.8 Ų77.851%0.50950%0.497SS..Hα-helixtrans-65.3-43.3175.3171.90000110.6A106 A107 M113 L114A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.41Å; A106-V110 PolarHBondContact O-N 3.32Å; A107-V110 PolarHBondContact O-N 3.2Å; V110-M113 PolarHBondContact O-N 2.82Å; V110-L114 HydrophobicContact CG1-CD1 3.78Å; V110-L114 HydrophobicContact CG1-CG 4.37Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.01Å
111E78Confident71.9Confident117 Ų11781.1 Ų81.155%0.54753%0.527SS..Hα-helixtrans-61.6-44.4174.7-73.8-169166.600112.1A107 A108 M113 L114 F115A107-E111 PolarHBondContact O-N 3.04Å; A108-E111 PolarHBondContact O-N 3Å; E111-M113 PolarHBondContact O-N 3.44Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.13Å; E111-F115 HydrophobicContact CB-CD2 4.22Å; E111-F115 HydrophobicContact CG-CD2 4.47Å; E111-F115 HydrophobicContact CG-CE2 4.47Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 WeakPolarHBondContact O-CD2 3.12Å; E111-F115 PolarHBondContact O-N 2.98Å
112A78.5Confident69.5Low24 Ų2484.6 Ų84.620%0.19856%0.561CS.*Hα-helixtrans-61.4-34176.500000112.3A108 A109 G116A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 3.36Å; A112-G116 WeakPolarHBondContact O-CA 3.47Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-G116 VanDerWaalsContact O-N 3.08Å
113M72.3Confident67.3Low83 Ų8385.9 Ų85.941%0.40956%0.558SS.*Hα-helixtrans-72.6-34.4174.9-73.2-178.2-179.300113T67 A109 V110 E111T67-M113 HydrophobicContact CG2-CE 4.37Å; A109-M113 VanDerWaalsContact O-CG 3.3Å; A109-M113 WeakPolarHBondContact O-CG 3.44Å; A109-M113 PolarHBondContact O-N 2.88Å; V110-M113 PolarHBondContact O-N 2.82Å; E111-M113 PolarHBondContact O-N 3.44Å
114L77.8Confident65Low126 Ų12693.5 Ų93.566%0.6659%0.589SS**Hα-helixtrans-82.8-41.5-178-71171.4000112.9V110 E111V110-L114 HydrophobicContact CG1-CD1 3.78Å; V110-L114 HydrophobicContact CG1-CG 4.37Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.01Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.13Å
115F74.2Confident62.8Low143 Ų14389.7 Ų89.763%0.62759%0.588SS**Hα-helixtrans-105.6-7.2-171.7-60.2-70.1000113.5E111 T117E111-F115 HydrophobicContact CB-CD2 4.22Å; E111-F115 HydrophobicContact CG-CD2 4.47Å; E111-F115 HydrophobicContact CG-CE2 4.47Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 WeakPolarHBondContact O-CD2 3.12Å; E111-F115 PolarHBondContact O-N 2.98Å; F115-T117 HydrophobicContact CB-CG2 4.34Å; F115-T117 PolarHBondContact O-N 2.79Å; F115-T117 VanDerWaalsContact O-N 3.15Å
116G62.7Low60.7Low66 Ų6694.2 Ų94.268%0.6860%0.604SS**  trans66.913.1174.500000115A112 G118A112-G116 WeakPolarHBondContact O-CA 3.47Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-G116 VanDerWaalsContact O-N 3.08Å; G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 3.2Å
117T58.4Low59Low113 Ų113101.3 Ų101.369%0.69363%0.634SS**  trans-88.819.7-171.346.70000114.7F115F115-T117 HydrophobicContact CB-CG2 4.34Å; F115-T117 PolarHBondContact O-N 2.79Å; F115-T117 VanDerWaalsContact O-N 3.15Å
118G46.3Very low57.4Low41 Ų41106.4 Ų106.442%0.42365%0.648SS.*  trans-98.311.1-165.300000118G116G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 3.2Å
119E45Very low55.3Low151 Ų151113 Ų11371%0.70667%0.669SS**SBendtrans-145.863.3-173.7-104.9150.6110.400111.6K69K69-E119 IonicContact NZ-OE2 3.74Å; K69-E119 PolarHBondContact NZ-OE2 2.81Å
120A40.5Very low53.3Low105 Ų105115.9 Ų115.987%0.86869%0.693SS**SBendtrans-156.317.1169.400000115.8
121A39.1Very low51.5Low106 Ų106116.7 Ų116.788%0.87671%0.708SS**  trans-135.643.6-173.400000114.2
122A38.8Very low49.8Very low104 Ų104116.1 Ų116.186%0.8672%0.723SS**SBendtrans-140.654.917700000112.5
123S39.2Very low47.9Very low105 Ų105124 Ų12473%0.73476%0.756SS**SBendtrans-169.1141.7158.254.20000107.3
124E38.1Very low46.4Very low195 Ų195129.1 Ų129.191%0.91178%0.779SS**  trans94.367.6178.7-49.6-175.2177.700115.4
125A37.6Very low44.7Very low96 Ų96127 Ų12779%0.79378%0.779SS**  trans-142.172.115700000108.9
126D43.3Very low43.1Very low156 Ų156129.4 Ų129.483%0.83479%0.792SS**  trans-173.895.7158.3-103.7-34.3000107.7
127E46.3Very low42Very low166 Ų166130.3 Ų130.378%0.77679%0.793SS**  trans171.1117.7137.1-94.5-177.2122.100112.2
128Q47.5Very low41.2Very low166 Ų166132.9 Ų132.978%0.77680%0.797SS**  trans87.6100.5140.1-59.1174.222.800120
129H38.6Very low41Very low194 Ų194135.8 Ų135.890%0.89882%0.816SS**  trans-28.8150.8149.9-101-103.6000118.1
130A39.1Very low40.9Very low93 Ų93135.3 Ų135.377%0.76981%0.814SS**  trans88.397.814700000118.7
131A40.5Very low40.9Very low100 Ų100134.8 Ų134.883%0.82681%0.81SS**  164.8138.3109.900000112.6
132A43Very low41.2Very low105 Ų105136.4 Ų136.487%0.86880%0.803SS**  trans74.5122.8149.700000120.6
133E37.1Very low41.3Very low191 Ų191139 Ų13989%0.89380%0.802SS**  trans-50133.1168.1-67.2169.2103.300114
134H42.3Very low41.4Very low190 Ų190141.6 Ų141.688%0.8881%0.807SS**  trans-156127.5135.3-132.2-79.7000110.4
135A41.4Very low41.7Very low80 Ų80139.4 Ų139.466%0.66180%0.802SS**  trans-63.6140.5178.700000112.5
136H40.8Very low42.1Very low194 Ų194139.7 Ų139.790%0.89879%0.794SS**  -170.5135123.8-103-69.5000111.3
137A38.4Very low42.1Very low86 Ų86141 Ų14171%0.71180%0.795SS**  trans-70.8148.4-174.700000113.9
138H42.1Very low41.9Very low167 Ų167138 Ų13877%0.77380%0.798SS**  trans-16293.4138.4-109.7-79.8000109.4H140H138-H140 AromaticContact CE1-CD2 3.94Å; H138-H140 AromaticContact CE1-NE2 3.43Å; H138-H140 PolarHBondContact CE1-NE2 2.97Å; H138-H140 AromaticContact ND1-CD2 3.24Å; H138-H140 PolarHBondContact ND1-CD2 3.46Å; H138-H140 AromaticContact ND1-NE2 3.23Å; H138-H140 PolarHBondContact ND1-NE2 3.38Å
139A41.8Very low42Very low101 Ų101138.8 Ų138.884%0.83580%0.799SS**  trans-98.699.7163.500000107.7A141A139-A141 PolarHBondContact O-N 2.8Å
140H43.9Very low42.5Very low141 Ų141137.3 Ų137.365%0.65380%0.798SS**  trans-86.388.2168.2-92.8-83.9000109.3H138H138-H140 AromaticContact CE1-CD2 3.94Å; H138-H140 AromaticContact CE1-NE2 3.43Å; H138-H140 PolarHBondContact CE1-NE2 2.97Å; H138-H140 AromaticContact ND1-CD2 3.24Å; H138-H140 PolarHBondContact ND1-CD2 3.46Å; H138-H140 AromaticContact ND1-NE2 3.23Å; H138-H140 PolarHBondContact ND1-NE2 3.38Å
141A40.2Very low43.4Very low95 Ų95141.4 Ų141.479%0.78580%0.803SS**  trans-91.299157.400000107.5A139 N143A139-A141 PolarHBondContact O-N 2.8Å; A141-N143 PolarHBondContact O-N 3.13Å
142L45.6Very low44Very low140 Ų140144.8 Ų144.873%0.73380%0.799SS**  trans-82.1104.3171.4-68.2179.3000108.8
143N40.4Very low44.7Very low158 Ų158146.8 Ų146.885%0.84579%0.794SS**  trans-102.999.8167.2-146.6-6.1000106.4A141A141-N143 PolarHBondContact O-N 3.13Å
144L42.3Very low45.5Very low160 Ų160142.7 Ų142.784%0.83878%0.779SS**  trans-96108.3177.8-77.3164.8000109
145N43.7Very low46Very low148 Ų148143.1 Ų143.179%0.79177%0.774SS**  trans-136.5149.2160.6-160.235.6000108.2
146V46.3Very low46.8Very low103 Ų103146.3 Ų146.362%0.62478%0.779SS**  trans96.695.9161.6-169.90000117.4
147E42.3Very low47.2Very low183 Ų183146.6 Ų146.686%0.85578%0.778SS**  73.9114.2128.4-62.4178.1163.400121
148A43.3Very low48.3Very low103 Ų103147.1 Ų147.185%0.85178%0.777SS**  trans-67.5129.217000000112.4
149K48.3Very low48.7Very low182 Ų182148.6 Ų148.679%0.79178%0.784SS**  trans-143.4115.3146.1-93177.2-176.8164.30108.5M151K149-M151 WeakPolarHBondContact O-CG 3.49Å; K149-M151 PolarHBondContact O-N 2.89Å
150D48.9Very low49Very low164 Ų164151.3 Ų151.388%0.87778%0.783SS**  trans15.894.2161.3-54.7-63.7000117.3
151M58.9Low49.1Very low179 Ų179150.5 Ų150.588%0.88278%0.784SS**  trans-132.7125.6164.7-37.3-156.9104.300109.8K149K149-M151 WeakPolarHBondContact O-CG 3.49Å; K149-M151 PolarHBondContact O-N 2.89Å
152K52.5Low49.3Very low171 Ų171151.4 Ų151.474%0.74378%0.782SS**  trans-57132.2-173.8-159175.5178.5-168.60111.9D154K152-D154 WeakPolarHBondContact CD-OD2 3.45Å; K152-D154 WeakPolarHBondContact CE-OD2 3.48Å; K152-D154 WeakPolarHBondContact CG-OD2 3.24Å; K152-D154 IonicContact NZ-OD2 3.54Å; K152-D154 PolarHBondContact O-N 3.36Å
153L58.4Low49.6Very low146 Ų146154.8 Ų154.876%0.76479%0.786SS**SBendtrans-76.752.7-174.3-149.1155.3000111.9L156L153-L156 HydrophobicContact CD2-CD1 4.25Å
154D53.1Low50.1Low105 Ų105154.3 Ų154.356%0.56178%0.783SS**  trans-107.84.8-177-70.6-25.7000113.3K152K152-D154 WeakPolarHBondContact CD-OD2 3.45Å; K152-D154 WeakPolarHBondContact CE-OD2 3.48Å; K152-D154 WeakPolarHBondContact CG-OD2 3.24Å; K152-D154 IonicContact NZ-OD2 3.54Å; K152-D154 PolarHBondContact O-N 3.36Å
155Y53.4Low50.2Low200 Ų200151.9 Ų151.978%0.78478%0.779SS**  trans-114.36.6-172.1-87.7-84000116.8
156L57.9Low50.6Low147 Ų147150.7 Ų150.777%0.7778%0.777SS**THydrogen-bonded Turntrans-9211.7-176.9-78.7170.7000115.6L153L153-L156 HydrophobicContact CD2-CD1 4.25Å
157F50.6Low50.5Low200 Ų200154.3 Ų154.388%0.87779%0.787SS**THydrogen-bonded Turntrans-1217.5178.7-84.8-83.6000115.1
158S60Low50.7Low97 Ų97153 Ų15368%0.67879%0.785SS**  trans-10011.3-172.3-61.50000116.2
159E51.6Low51Low197 Ų197153.1 Ų153.192%0.92178%0.777SS**  trans-110.625.5178.4-68.5-170.7165.200114.6
160L47.2Very low50.6Low158 Ų158155.8 Ų155.883%0.82778%0.782SS**  trans-10993.3161.1-90.4105.9000110.6
161D46.4Very low50.3Low124 Ų124157.6 Ų157.666%0.66378%0.782SS**  trans168.4155.2135.6-113-25.9000108.7
162P45.2Very low49.6Very low115 Ų115157.4 Ų157.475%0.74778%0.779SS**SBendcis-145.896.93832.7-7.7000113.6
163Y51.4Low49Very low210 Ų210157.3 Ų157.382%0.82478%0.781SS**SBendtrans-113.48.5162.4-149.7-97.8000112.8
164L49.4Very low48.4Very low148 Ų148155.3 Ų155.378%0.77579%0.785SS**SBendtrans-114.863.3174.9-61.9-178.7000110.7
165S44.9Very low47.9Very low109 Ų109156.4 Ų156.476%0.76279%0.791SS**  trans-15971.7161.2-80.90000109.6
166V51.9Low47.5Very low123 Ų123151.9 Ų151.975%0.74579%0.789SS**  trans-92.9100.6161.4-175.70000106.5I168V166-I168 PolarHBondContact O-N 3.04Å
167E45.6Very low47Very low179 Ų179151 Ų15184%0.83679%0.789SS**PPolyproline II helixtrans-59.3125.3168.4-69.2179.6153.900109.4P169E167-P169 WeakPolarHBondContact O-CD 3.24Å
168I46.2Very low46.8Very low155 Ų155147.9 Ų147.980%0.79579%0.786SS**PPolyproline II helixtrans-81.2116.5175.2-61.3169.3000107.9V166 R170V166-I168 PolarHBondContact O-N 3.04Å; I168-R170 PolarHBondContact O-N 2.82Å
169P49Very low46.1Very low106 Ų106148.8 Ų148.869%0.68879%0.79SS**PPolyproline II helixtrans-79.2122.1169.7-1.520000109E167 F171E167-P169 WeakPolarHBondContact O-CD 3.24Å; P169-F171 PolarHBondContact O-N 3.32Å
170R41.3Very low45.4Very low238 Ų238147.3 Ų147.390%0.89879%0.788SS**PPolyproline II helixtrans-56.7124.3166.2-73.2176.6148.8100.7-2.7110I168I168-R170 PolarHBondContact O-N 2.82Å
171F41.3Very low45Very low203 Ų203142.8 Ų142.889%0.8978%0.781SS**  trans-122.4139.5154.3-95.9-84.6000110.2P169P169-F171 PolarHBondContact O-N 3.32Å
172Q44.8Very low44.7Very low175 Ų175142 Ų14282%0.81879%0.791SS**  trans-88145.6-168.6-68.1168.9-46.600112.2
173H38.9Very low44.2Very low169 Ų169140.3 Ų140.378%0.78279%0.794SS**  trans52.9113.5152.8-80.6-71.6000120.3
174A45.7Very low43.6Very low103 Ų103135.1 Ų135.185%0.85180%0.795SS**  -162.9127.2112.200000110
175D43.3Very low42.9Very low128 Ų128132.7 Ų132.768%0.68480%0.797SS**  trans-73153-176.7-71.3-64.9000114.1
176S45.5Very low42.8Very low106 Ų106134.1 Ų134.174%0.74180%0.8SS**  trans66113.9139.961.30000119.9
177V47.9Very low42.2Very low127 Ų127136.4 Ų136.477%0.7780%0.803SS**  165.2120.9107.8159.50000108.7
178V44.6Very low42.3Very low135 Ų135135.9 Ų135.982%0.81881%0.805SS**  trans-89.2143.8163.7176.60000107.8
179P45.8Very low41.9Very low117 Ų117134 Ų13476%0.7680%0.796SS**  trans-131.9137.7132.719.40.2000113.6
180N36.7Very low41.7Very low165 Ų165138.8 Ų138.888%0.88281%0.807SS**  trans-65.7142.7165.2-171.329.3000111
181G39.6Very low41.7Very low64 Ų64132.7 Ų132.766%0.6680%0.796SS**  trans157.191.1174.300000110.7
182A40.2Very low41.8Very low106 Ų106129.5 Ų129.588%0.87680%0.797SS**  69.1106.492.600000114.1
183G35.4Very low41.6Very low80 Ų80124.2 Ų124.283%0.82579%0.79SS**  trans81.5110148.300000117.2
184A37.3Very low41.9Very low101 Ų101124.8 Ų124.884%0.83580%0.797SS**  169.2139.2118.100000110.2
185A36.1Very low41.5Very low98 Ų98123 Ų12381%0.8179%0.789SS**  trans-58.9145.8-179.600000113.2
186V42.9Very low41.6Very low139 Ų139124.2 Ų124.284%0.84280%0.801SS**  trans-127.3102.6155.2-97.30000107.3
187E38.2Very low41.6Very low171 Ų171129.1 Ų129.180%0.79981%0.809SS**  trans-73.6127.8165.8-169-177.9-165.800107.7
188L47.3Very low40.9Very low167 Ų167131.3 Ų131.387%0.87481%0.81SS**  trans-119.7101.1169.5-92.7156.1000107.4
189D38.7Very low40.9Very low115 Ų115130.9 Ų130.962%0.61581%0.813SS**  trans-81.6129.2178.2-154.57.2000109.2T191D189-T191 WeakPolarHBondContact OD1-CG2 3.31Å
190F45.3Very low40.9Very low207 Ų207129.3 Ų129.391%0.90881%0.805SS**  trans-135.4104.4163.5-117.3-85.8000107.4
191T40.9Very low40.9Very low110 Ų110131.7 Ų131.768%0.67580%0.803SS**  trans-93.6164-171.846.30000113D189D189-T191 WeakPolarHBondContact OD1-CG2 3.31Å
192C42.9Very low41Very low136 Ų136134 Ų13492%0.91981%0.809SS**  trans87.6101.7171.8-148.10000114.1
193G40.4Very low41.1Very low65 Ų65133.1 Ų133.167%0.6780%0.797SS**  121.4114.151.100000105.3
194I44.3Very low41.1Very low180 Ų180140 Ų14092%0.92380%0.799SS**  -171.8133.685.7-74.6155.2000105.4
195G39Very low41.8Very low67 Ų67141.8 Ų141.869%0.69180%0.8SS**  trans-85.6160.1-160.100000117.6
196V44.4Very low41.7Very low152 Ų152141.7 Ų141.792%0.92180%0.799SS**  trans-148.9143132.6-145.40000107.7
197K44.8Very low41.5Very low210 Ų210142 Ų14291%0.91380%0.801SS**  trans-65.8140.4-159.8-64173.4178.2177.50114.9
198H33.8Very low41.5Very low172 Ų172138.8 Ų138.880%0.79680%0.798SS**  trans-56.2144.1170.5-104.6-106.8000114S200H198-S200 PolarHBondContact ND1-OG 3.46Å
199S44.5Very low41.2Very low126 Ų126139 Ų13988%0.88180%0.799SS**  trans-13096.7144.4-166.30000108.4
200S46Very low41.5Very low85 Ų85136.9 Ų136.959%0.59480%0.798SS**  trans-77.3125.2174.7-620000109.9H198 S202H198-S200 PolarHBondContact ND1-OG 3.46Å; S200-S202 PolarHBondContact O-N 3.17Å
201Y37.5Very low41.3Very low214 Ų214135.9 Ų135.984%0.83980%0.796SS**  trans-39.2118.8157.2174.7-99.9000111.4
202S41.9Very low41.1Very low112 Ų112136.8 Ų136.878%0.78381%0.806SS**  trans-127.4131.6167.9-158.20000110.2S200S200-S202 PolarHBondContact O-N 3.17Å
203S41.5Very low41.1Very low88 Ų88134.3 Ų134.362%0.61580%0.804SS**  trans-69.8146.6-170.3370000114.5
204Y36.1Very low40.9Very low225 Ų225137 Ų13788%0.88281%0.812SS**  trans-54.5129.7173.6-60.1-88.5000114
205T51Low40.7Very low139 Ų139133.1 Ų133.185%0.85380%0.801SS**  trans-141.7132.3146.151.40000109.8
206A34.1Very low40.8Very low95 Ų95134.4 Ų134.479%0.78580%0.8SS**  trans-69.3150.2-173.300000113.9
207T39.5Very low40.9Very low145 Ų145136.3 Ų136.389%0.8980%0.799SS**  trans-156.5130.6131.7-330000110.2
208S37.9Very low40.8Very low104 Ų104133.4 Ų133.473%0.72780%0.798SS**  trans-55152.2176.8-53.10000113.8
209L41.4Very low41.2Very low172 Ų172128.3 Ų128.390%0.90179%0.792SS**  -162.8139.7124.3-120.180.4000110
210A44.3Very low41.3Very low71 Ų71128.9 Ų128.959%0.58779%0.79SS**  trans-23.8150.7175.500000117.4
211H40Very low41Very low186 Ų186130.5 Ų130.586%0.86180%0.796SS**  -159.7142.156-71.775.8000112
212S37.9Very low41.7Very low129 Ų129126.3 Ų126.390%0.90280%0.795SS**  trans-71.9152.3173.1-51.50000112.7
213G43.1Very low41.5Very low84 Ų84129.8 Ų129.887%0.86680%0.799SS**  trans-172.390.1167.200000110.7
214S36Very low41.5Very low121 Ų121130 Ų13085%0.84681%0.805SS**  trans-90.3153.6-175.8-172.50000112
215S38.9Very low41.7Very low98 Ų98129.3 Ų129.369%0.68581%0.807SS**  trans99.5125.4139.3-148.20000119.6
216S42.9Very low41.2Very low95 Ų95126.5 Ų126.566%0.66481%0.806SS**  trans53.5117.1138.758.50000118.9
217E46.5Very low41.5Very low192 Ų192125.7 Ų125.790%0.89781%0.807SS**  171.8171.8103.762.9-164.9137.600112.3
218V41.4Very low41.7Very low149 Ų149125.1 Ų125.190%0.90381%0.809SS**  trans-74.2138.4-163.2-170.50000111.5
219G43.6Very low42Very low65 Ų65123.6 Ų123.667%0.6781%0.809SS**  trans-179.584173.100000116.5
220V46Very low42Very low138 Ų138121.7 Ų121.784%0.83681%0.811SS**  trans47.7117.1130.8-174.40000119.1
221V38.7Very low41.9Very low119 Ų119122.4 Ų122.472%0.72183%0.825SS**PPolyproline II helixtrans-63.1135166.4178.80000111.1E223V221-E223 HydrophobicContact CG1-CG 4.46Å
222P53.8Low41.7Very low126 Ų126117.6 Ų117.682%0.81883%0.825SS**PPolyproline II helixtrans-100.4119.3158.34.815.4000110.7
223E36.4Very low41.9Very low185 Ų185115.3 Ų115.386%0.86482%0.823SS**PPolyproline II helixtrans-87.6162.1163.6-82178.2124.300111.7V221V221-E223 HydrophobicContact CG1-CG 4.46Å
224A41.1Very low41.7Very low91 Ų91117.2 Ų117.275%0.75282%0.822SS**  trans96.497.8156.800000118.4
225F42.1Very low42.3Very low211 Ų211121.1 Ų121.193%0.92582%0.824SS**  -17913811760.1-93.4000106.7
226G39.9Very low42.3Very low80 Ų80124.4 Ų124.483%0.82583%0.829SS**  cis157.9134.26.700000105.3
227G40.2Very low42.5Very low78 Ų78127.2 Ų127.280%0.80484%0.836SS**  trans141.394.7162.600000118.6
228S44.3Very low42.2Very low134 Ų134123.4 Ų123.494%0.93782%0.822SS**  trans70.7115.6134176.60000121.2
229G43.1Very low42.3Very low71 Ų71125.2 Ų125.273%0.73282%0.818SS**  trans147.479.513600000119.5
230S43Very low42.3Very low133 Ų133127.8 Ų127.893%0.9382%0.821SS**  trans65.6111.7142.6-110.70000123.3
231G40.4Very low42.2Very low85 Ų85132.5 Ų132.588%0.87682%0.823SS**  trans75126.8137.100000117.5
232G36.8Very low42.4Very low85 Ų85131.7 Ų131.788%0.87682%0.821SS**  cis154.3129.41100000106.1
233G40.9Very low41.7Very low82 Ų82135.3 Ų135.385%0.84582%0.824SS**  trans146.280.917500000114.8
234S40.5Very low42.1Very low123 Ų123132 Ų13286%0.8682%0.818SS**  trans-60.4142171-66.50000113.5
235F48.9Very low42Very low203 Ų203136.1 Ų136.189%0.8982%0.822SS**  -151.7124114.257.4-83.2000109.6
236E38.9Very low41.8Very low168 Ų168130.6 Ų130.679%0.78582%0.815SS**  trans-83.4139.8175.9-176.8-169.6150.300108.4
237L47.1Very low42.1Very low153 Ų153136.3 Ų136.380%0.80181%0.813SS**  trans-161.8103.7135.8-126.878.1000109.7F239L237-F239 HydrophobicContact CD2-CD2 4.42Å; L237-F239 HydrophobicContact CD2-CE2 3.9Å; L237-F239 HydrophobicContact CG-CE2 4.26Å
238D38.7Very low42.5Very low112 Ų112140.7 Ų140.760%0.59982%0.815SS**  trans-72.8137.5170.6-174.312.9000110.3
239F44.3Very low43.2Very low187 Ų187138.7 Ų138.782%0.8280%0.798SS**  trans-156.293.1158-84.8-65.8000111.4L237 R241L237-F239 HydrophobicContact CD2-CD2 4.42Å; L237-F239 HydrophobicContact CD2-CE2 3.9Å; L237-F239 HydrophobicContact CG-CE2 4.26Å; F239-R241 PolarHBondContact O-N 3.14Å
240T43.8Very low43.1Very low120 Ų120145.7 Ų145.774%0.73680%0.804SS**  trans-67.9112.1159.941.50000111.4
241R42.6Very low43.2Very low236 Ų236145.7 Ų145.789%0.89180%0.799SS**  trans66.5167146.8-120.2-168.1157.7156.9-5.3119.5F239F239-R241 PolarHBondContact O-N 3.14Å
242P43.7Very low43.4Very low102 Ų102145.4 Ų145.466%0.66280%0.796SS**  -121.5171.6-52.617.84.7000114.2
243K38.8Very low43.7Very low203 Ų203147.9 Ų147.988%0.88379%0.794SS**  trans-31.7146.4167.6-109.8166176.6164.40117.1
244P45Very low44.2Very low116 Ų116149.5 Ų149.575%0.75379%0.789SS**  -139.7135.499.834.1-18.4000112.8
245Q38.5Very low44.4Very low177 Ų177151.4 Ų151.483%0.82779%0.785SS**  67.6117.394.2-156.2174.61.500115.7
246A38.8Very low44.5Very low94 Ų94147.5 Ų147.578%0.77778%0.783SS**  trans64.8108.6153.100000119.9
247Y46Very low44.8Very low201 Ų201146.6 Ų146.679%0.78878%0.778SS**  -168.3121.9125.5-168.6-113.4000110.2P249Y247-P249 HydrophobicContact CD1-CG 4.35Å; Y247-P249 HydrophobicContact CE1-CB 3.97Å; Y247-P249 HydrophobicContact CE1-CG 3.87Å
248M48.8Very low45Very low170 Ų170145.4 Ų145.484%0.83778%0.782SS**  trans-111.6139.1162.3-93-78155.900107.1
249P58.1Low45.6Very low92 Ų92147 Ų14760%0.59780%0.796SS**  trans-114.3145.3156.434.3-22.8000112.2Y247Y247-P249 HydrophobicContact CD1-CG 4.35Å; Y247-P249 HydrophobicContact CE1-CB 3.97Å; Y247-P249 HydrophobicContact CE1-CG 3.87Å
250Y41.9Very low45.5Very low217 Ų217144 Ų14485%0.85180%0.796SS**  trans-73.4164.7-172.2-109.7-105.8000115.3
251T45Very low45.5Very low134 Ų134144.2 Ų144.282%0.82280%0.802SS**  trans76.4130.2147.4540000122.3
252G43.5Very low45.9Very low78 Ų78137 Ų13780%0.80479%0.793SS**  trans16864.515500000114
253T44.4Very low46.1Very low138 Ų138139.9 Ų139.985%0.84780%0.803SS**  trans-81.7149.8161.936.40000110.6
254P51.5Low47Very low115 Ų115136 Ų13675%0.74780%0.796SS**  -134.9129117.432.8-19.3000111.1
255Q44.1Very low47.1Very low164 Ų164139.6 Ų139.677%0.76680%0.802SS**  48.6100.599.3-70-170.82.200115.3
256S50.6Low47.7Very low121 Ų121137.2 Ų137.285%0.84680%0.8SS**  trans-146.8137.6136.959.30000109.8
257H46.5Very low48.5Very low149 Ų149138.4 Ų138.469%0.6980%0.797SS**  trans-96.2145.8-162.6-46.1-92.3000109.3
258S50.6Low48.6Very low127 Ų127134.6 Ų134.689%0.88880%0.797SS**  trans177.8120.2140.2-77.20000110
259V51.2Low48.5Very low146 Ų146133.7 Ų133.789%0.88579%0.791SS**  trans-111.4161.8171.7-81.40000109
260P42Very low48.2Very low125 Ų125139.6 Ų139.681%0.81280%0.801SS**  trans-102.4163.9-143.139.5-34.2000114.1
261S44.5Very low48.2Very low124 Ų124132.5 Ų132.587%0.86779%0.793SS**  trans-170.7129.1161.4-168.40000111.9
262A51.4Low48.3Very low85 Ų85134 Ų13470%0.70280%0.796SS**  trans145.3103.6140.100000111.6
263D47.5Very low48.5Very low162 Ų162139 Ų13987%0.86680%0.804SS**  trans-54.4132159.9-54.5-84.8000111
264V57.9Low48.6Very low121 Ų121136.7 Ų136.773%0.73380%0.799SS**  trans-137.2104.9158.8-178.90000107V266V264-V266 HydrophobicContact CG1-CG2 4.05Å; V264-V266 PolarHBondContact O-N 3.12Å
265E45.9Very low48.4Very low191 Ų191135.4 Ų135.489%0.89380%0.798SS**  trans-59.5122.9158.8-87.9-162.1127.800109
266V52.6Low48.6Very low128 Ų128134.3 Ų134.378%0.77680%0.802SS**  trans-119.1115.1157.91720000107.3V264V264-V266 HydrophobicContact CG1-CG2 4.05Å; V264-V266 PolarHBondContact O-N 3.12Å
267V54.5Low48.6Very low118 Ų118138.7 Ų138.772%0.71580%0.8SS**  trans-54136.6174.4176.90000111
268P48.2Very low48.6Very low122 Ų122137.4 Ų137.479%0.79281%0.805SS**  trans-90.3122.7178.433.9-28.2000111
269E47.4Very low48.3Very low150 Ų150137.2 Ų137.270%0.70180%0.798SS**  trans-116.4111.9166.6-98.3-92.7117.500109.5
270R50.7Low48.1Very low217 Ų217134.4 Ų134.482%0.81978%0.783SS**  trans49.6110.7142.4-59.2179.6-171.9-135.3-6119.8
271G42.4Very low48.3Very low67 Ų67136.7 Ų136.769%0.69179%0.787SS**  100.889.4129.200000115
272D47.2Very low48.3Very low165 Ų165138.2 Ų138.288%0.88278%0.783SS**  trans-161.4127.7138.4-91.5-38000108.8A274D272-A274 PolarHBondContact O-N 2.99Å
273L48.1Very low48.6Very low183 Ų183136.8 Ų136.896%0.95878%0.777SS**  trans-64.991.7-178.1-64.8165.1000109A275L273-A275 PolarHBondContact O-N 3.2Å; L273-A275 VanDerWaalsContact O-N 3.1Å
274A45.7Very low49.7Very low90 Ų90133.3 Ų133.374%0.74476%0.755SS**  trans-66111.517400000109.1D272 V276D272-A274 PolarHBondContact O-N 2.99Å; A274-V276 PolarHBondContact O-N 3.17Å
275A47.6Very low50.7Low88 Ų88131 Ų13173%0.72774%0.744SS**  trans-41.4111.717000000110.6L273 R277L273-A275 PolarHBondContact O-N 3.2Å; L273-A275 VanDerWaalsContact O-N 3.1Å; A275-R277 VanDerWaalsContact C-N 3.26Å; A275-R277 PolarHBondContact O-N 3.44Å
276V47.9Very low52.1Low141 Ų141124.7 Ų124.786%0.85571%0.712SS**  trans-63.792.9170178.90000106.7A274A274-V276 PolarHBondContact O-N 3.17Å
277R50.7Low53.5Low214 Ų214125.8 Ų125.881%0.80871%0.709SS**  trans-64.4127.3169.6-68.418066.7-166.90.3106.9A275 V279A275-R277 VanDerWaalsContact C-N 3.26Å; A275-R277 PolarHBondContact O-N 3.44Å; R277-V279 PolarHBondContact O-N 3.32Å
278P46Very low55Low122 Ų122121.5 Ų121.579%0.79269%0.686SS**  trans-61.9107.4170.624.6-30.2000107.3P280P278-P280 WeakPolarHBondContact O-CD 3.05Å
279V43.9Very low56.6Low123 Ų123122.3 Ų122.375%0.74567%0.673SS**  trans-59.7120.5166.1177.40000104.8R277 L281R277-V279 PolarHBondContact O-N 3.32Å; V279-L281 PolarHBondContact O-N 2.9Å
280P47.7Very low58.3Low86 Ų86116.5 Ų116.556%0.55865%0.647SS**  trans-58.4114168.9-6.919.8000104.5P278 M282P278-P280 WeakPolarHBondContact O-CD 3.05Å; P280-M282 HydrophobicContact CB-CE 4.1Å; P280-M282 HydrophobicContact CG-CE 3.99Å; P280-M282 PolarHBondContact O-N 3.25Å
281L47.3Very low60Low174 Ų174110.5 Ų110.591%0.91163%0.629SS**  trans-48.9100.1165.8-116.3155.6000104.3V279 G283V279-L281 PolarHBondContact O-N 2.9Å; L281-G283 PolarHBondContact O-N 2.92Å
282M44.4Very low62.3Low155 Ų155112.5 Ų112.576%0.76462%0.616SS**  trans-6495.1-174-79.2-71.9151.900105.2P280 E284P280-M282 HydrophobicContact CB-CE 4.1Å; P280-M282 HydrophobicContact CG-CE 3.99Å; P280-M282 PolarHBondContact O-N 3.25Å; M282-E284 PolarHBondContact O-N 3.06Å
283G56.2Low64.1Low56 Ų56108.5 Ų108.558%0.57759%0.589SS**  trans-48.3127.917100000106.2L281 S285L281-G283 PolarHBondContact O-N 2.92Å; G283-S285 PolarHBondContact O-N 3.18Å
284E71Confident66Low89 Ų89105.3 Ų105.342%0.41656%0.564SS.*  trans-35.4131.8-174.4-178.7172.9170.100112.7M282 R286 A288 R292M282-E284 PolarHBondContact O-N 3.06Å; E284-R286 PolarHBondContact O-N 3.45Å; E284-A288 HydrophobicContact CG-CB 3.58Å; E284-R292 IonicContact OE1-CZ 2.9Å; E284-R292 IonicContact OE1-NE 3.32Å; E284-R292 PolarHBondContact OE1-NE 2.88Å; E284-R292 IonicContact OE1-NH1 3.6Å; E284-R292 PolarHBondContact OE1-NH1 3.47Å; E284-R292 IonicContact OE1-NH2 3.67Å; E284-R292 PolarHBondContact OE1-NH2 3.34Å; E284-R292 VanDerWaalsContact OE1-NH2 3.11Å; E284-R292 IonicContact OE2-CZ 3.25Å; E284-R292 IonicContact OE2-NE 2.99Å; E284-R292 IonicContact OE2-NH1 3.06Å; E284-R292 PolarHBondContact OE2-NH1 3.1Å; E284-R292 IonicContact OE2-NH2 3.9Å; E284-R292 PolarHBondContact OE2-NH2 3.19Å
285S78.3Confident68.2Low71 Ų71105.7 Ų105.750%0.49755%0.55SS.*  trans-48.5138.9-170.567.70000110.4G283 E287 A288 R289G283-S285 PolarHBondContact O-N 3.18Å; S285-E287 PolarHBondContact O-N 3.46Å; S285-A288 WeakPolarHBondContact O-CA 3.46Å; S285-A288 WeakPolarHBondContact O-CB 3.34Å; S285-A288 PolarHBondContact O-N 2.88Å; S285-R289 PolarHBondContact O-N 2.76Å
286R75.8Confident70.2Confident59 Ų59108.6 Ų108.622%0.22355%0.547CS..Hα-helixtrans-50.8-35.3-179179.7164.5179.4-109.93.8112.5W7 G8 V58 E60 E284 R289 L290W7-R286 PolarHBondContact O-NH2 3.14Å; G8-R286 PolarHBondContact O-NH1 2.82Å; G8-R286 PolarHBondContact O-NH2 3.2Å; V58-R286 PolarHBondContact O-NH2 3.39Å; E60-R286 WeakPolarHBondContact OE1-CD 3.29Å; E60-R286 IonicContact OE1-CZ 3.61Å; E60-R286 IonicContact OE1-NE 3.82Å; E60-R286 PolarHBondContact OE1-NE 3.37Å; E60-R286 VanDerWaalsContact OE1-NE 3.08Å; E60-R286 IonicContact OE1-NH1 2.72Å; E60-R286 PolarHBondContact OE1-NH1 3.46Å; E60-R286 IonicContact OE2-CZ 3.6Å; E60-R286 IonicContact OE2-NE 2.68Å; E60-R286 IonicContact OE2-NH1 2.76Å; E60-R286 PolarHBondContact OE2-NH1 3Å; E60-R286 IonicContact OE2-NH2 3.78Å; E284-R286 PolarHBondContact O-N 3.45Å; R286-R289 PolarHBondContact O-N 2.89Å; R286-L290 HydrophobicContact CG-CD1 4.16Å; R286-L290 HydrophobicContact CG-CG 4.36Å; R286-L290 WeakPolarHBondContact O-CB 3.33Å; R286-L290 WeakPolarHBondContact O-CG 3.14Å; R286-L290 PolarHBondContact O-N 3.41Å
287E81.5Confident72Confident151 Ų151108.5 Ų108.571%0.70653%0.531SS*.Hα-helixtrans-57.7-47.5173.5-61.4-177.1168.400112S285 L290 M291S285-E287 PolarHBondContact O-N 3.46Å; E287-L290 PolarHBondContact O-N 3.39Å; E287-M291 WeakPolarHBondContact O-CB 3.34Å; E287-M291 VanDerWaalsContact O-CG 3.25Å; E287-M291 WeakPolarHBondContact O-CG 3.46Å; E287-M291 PolarHBondContact O-N 3.15Å
288A86.7Confident73.7Confident28 Ų28106.7 Ų106.723%0.23153%0.529CS..Hα-helixtrans-66.4-36.3175.800000112.5E284 S285 M291 R292E284-A288 HydrophobicContact CG-CB 3.58Å; S285-A288 WeakPolarHBondContact O-CA 3.46Å; S285-A288 WeakPolarHBondContact O-CB 3.34Å; S285-A288 PolarHBondContact O-N 2.88Å; A288-M291 PolarHBondContact O-N 2.87Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.3Å; A288-R292 PolarHBondContact O-NE 2.68Å
289R82.4Confident75.6Confident140 Ų140107.1 Ų107.153%0.52852%0.524SS..Hα-helixtrans-62.3-46.8171.7-163.1-176.6-59.3166.52.8111.9S285 R286 R292 Y293S285-R289 PolarHBondContact O-N 2.76Å; R286-R289 PolarHBondContact O-N 2.89Å; R289-R292 PolarHBondContact O-N 2.95Å; R289-Y293 PolarHBondContact O-N 2.85Å
290L82.3Confident77.5Confident28 Ų28106.9 Ų106.915%0.14751%0.51CS..Hα-helixtrans-65.3-38177-71.2176000111.8W7 R286 E287 Y293 R294W7-L290 HydrophobicContact CB-CD2 4.31Å; R286-L290 HydrophobicContact CG-CD1 4.16Å; R286-L290 HydrophobicContact CG-CG 4.36Å; R286-L290 WeakPolarHBondContact O-CB 3.33Å; R286-L290 WeakPolarHBondContact O-CG 3.14Å; R286-L290 PolarHBondContact O-N 3.41Å; E287-L290 PolarHBondContact O-N 3.39Å; L290-Y293 PolarHBondContact O-N 3.35Å; L290-R294 WeakPolarHBondContact O-CB 3.48Å; L290-R294 VanDerWaalsContact O-CG 3.24Å; L290-R294 WeakPolarHBondContact O-CG 3.11Å; L290-R294 PolarHBondContact O-N 2.83Å
291M87.3Confident78.7Confident91 Ų91111.4 Ų111.445%0.44852%0.516SS..Hα-helixtrans-63-47.2176.4-78-60.5-69.300111.7E287 A288 Y293 R294 E295E287-M291 WeakPolarHBondContact O-CB 3.34Å; E287-M291 VanDerWaalsContact O-CG 3.25Å; E287-M291 WeakPolarHBondContact O-CG 3.46Å; E287-M291 PolarHBondContact O-N 3.15Å; A288-M291 PolarHBondContact O-N 2.87Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 3.16Å; M291-R294 WeakPolarHBondContact O-CB 3.11Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-R294 VanDerWaalsContact O-N 3.13Å; M291-E295 WeakPolarHBondContact O-CB 3.23Å; M291-E295 WeakPolarHBondContact O-CG 3.38Å; M291-E295 PolarHBondContact O-N 3.31Å
292R89.4Confident79.9Confident109 Ų109111.2 Ų111.241%0.41151%0.508SS..Hα-helixtrans-63.1-36.2174.9-70.2178.7-58.4-172.1-2.5113E284 A288 R289 K296E284-R292 IonicContact OE1-CZ 2.9Å; E284-R292 IonicContact OE1-NE 3.32Å; E284-R292 PolarHBondContact OE1-NE 2.88Å; E284-R292 IonicContact OE1-NH1 3.6Å; E284-R292 PolarHBondContact OE1-NH1 3.47Å; E284-R292 IonicContact OE1-NH2 3.67Å; E284-R292 PolarHBondContact OE1-NH2 3.34Å; E284-R292 VanDerWaalsContact OE1-NH2 3.11Å; E284-R292 IonicContact OE2-CZ 3.25Å; E284-R292 IonicContact OE2-NE 2.99Å; E284-R292 IonicContact OE2-NH1 3.06Å; E284-R292 PolarHBondContact OE2-NH1 3.1Å; E284-R292 IonicContact OE2-NH2 3.9Å; E284-R292 PolarHBondContact OE2-NH2 3.19Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.3Å; A288-R292 PolarHBondContact O-NE 2.68Å; R289-R292 PolarHBondContact O-N 2.95Å; R292-K296 WeakPolarHBondContact O-CB 3.3Å; R292-K296 PolarHBondContact O-N 2.87Å
293Y85.1Confident81.4Confident81 Ų81112.1 Ų112.132%0.31851%0.511SS..Hα-helixtrans-63.5-45.3173.3176.9-104.3000111.4R289 L290 M291 K296 R297R289-Y293 PolarHBondContact O-N 2.85Å; L290-Y293 PolarHBondContact O-N 3.35Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 3.16Å; Y293-K296 PolarHBondContact O-N 3.08Å; Y293-R297 WeakPolarHBondContact O-CB 3.49Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 3.06Å
294R88.6Confident82.1Confident116 Ų116115.4 Ų115.444%0.43851%0.509SS..Hα-helixtrans-62.8-45.1177.2-72168.1-179.1174.70.9111.6L290 M291 R297 K298L290-R294 WeakPolarHBondContact O-CB 3.48Å; L290-R294 VanDerWaalsContact O-CG 3.24Å; L290-R294 WeakPolarHBondContact O-CG 3.11Å; L290-R294 PolarHBondContact O-N 2.83Å; M291-R294 WeakPolarHBondContact O-CB 3.11Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-R294 VanDerWaalsContact O-N 3.13Å; R294-R297 PolarHBondContact O-N 3.45Å; R294-K298 WeakPolarHBondContact O-CG 2.84Å; R294-K298 PolarHBondContact O-N 2.93Å
295E91.2Very high82.2Confident98 Ų98116.8 Ų116.846%0.45852%0.524SS..Hα-helixtrans-63.5-49.2175.2-74.8173-171.200111.7M291 R297 K298 N299M291-E295 WeakPolarHBondContact O-CB 3.23Å; M291-E295 WeakPolarHBondContact O-CG 3.38Å; M291-E295 PolarHBondContact O-N 3.31Å; E295-R297 PolarHBondContact O-N 2.91Å; E295-K298 PolarHBondContact O-N 3.03Å; E295-K298 VanDerWaalsContact O-N 3.14Å; E295-N299 WeakPolarHBondContact O-CB 3.27Å; E295-N299 VanDerWaalsContact O-CG 3.31Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-OD1 3.14Å
296K89.9Confident81.8Confident149 Ų149120.8 Ų120.865%0.64854%0.538SS*.Hα-helixtrans-57.2-36175.7-177.3174.9-76-178.90110.9R292 Y293 R300R292-K296 WeakPolarHBondContact O-CB 3.3Å; R292-K296 PolarHBondContact O-N 2.87Å; Y293-K296 PolarHBondContact O-N 3.08Å; K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 2.85Å
297R85.5Confident82Confident139 Ų139124.7 Ų124.753%0.52555%0.552SS.*Hα-helixtrans-71.8-44.4176-166.6176.5-178.999.42112.6Y293 R294 E295 N299 R300Y293-R297 WeakPolarHBondContact O-CB 3.49Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 3.06Å; R294-R297 PolarHBondContact O-N 3.45Å; E295-R297 PolarHBondContact O-N 2.91Å; R297-N299 VanDerWaalsContact C-N 3.29Å; R297-N299 PolarHBondContact O-N 2.88Å; R297-R300 WeakPolarHBondContact O-CB 3.21Å; R297-R300 WeakPolarHBondContact O-CG 3.49Å; R297-R300 PolarHBondContact O-N 3.4Å
298K87.5Confident82.1Confident176 Ų176125 Ų12577%0.76555%0.548SS*.Hα-helixtrans-61.8-37.1174.9-73.7176-179.3-1770111.9R294 E295 R300R294-K298 WeakPolarHBondContact O-CG 2.84Å; R294-K298 PolarHBondContact O-N 2.93Å; E295-K298 PolarHBondContact O-N 3.03Å; E295-K298 VanDerWaalsContact O-N 3.14Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 3.48Å
299N85.2Confident81.9Confident130 Ų130127.4 Ų127.470%0.69557%0.568SS**THydrogen-bonded Turntrans-82.40.5-179.2-66.511.3000113.1E295 R297 R301E295-N299 WeakPolarHBondContact O-CB 3.27Å; E295-N299 VanDerWaalsContact O-CG 3.31Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-OD1 3.14Å; R297-N299 VanDerWaalsContact C-N 3.29Å; R297-N299 PolarHBondContact O-N 2.88Å; N299-R301 PolarHBondContact O-N 3.46Å; N299-R301 VanDerWaalsContact O-N 3.12Å
300R83.8Confident82.2Confident118 Ų118123.9 Ų123.945%0.44557%0.565SS.*  trans-68.7109.8171.3-61-174.2-176-149.11.6108.6K296 R297 K298 F302K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 2.85Å; R297-R300 WeakPolarHBondContact O-CB 3.21Å; R297-R300 WeakPolarHBondContact O-CG 3.49Å; R297-R300 PolarHBondContact O-N 3.4Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 3.48Å; R300-F302 HydrophobicContact CB-CD2 4.21Å; R300-F302 HydrophobicContact CB-CE2 3.67Å; R300-F302 HydrophobicContact CB-CZ 3.88Å; R300-F302 PolarHBondContact O-N 2.9Å
301R74.2Confident82.6Confident181 Ų181131.2 Ų131.268%0.68359%0.591SS**  trans-88.593.9170.7-68.7-167.6174.5-104.73.2109.2N299 E303 K304N299-R301 PolarHBondContact O-N 3.46Å; N299-R301 VanDerWaalsContact O-N 3.12Å; R301-E303 PolarHBondContact O-N 3.35Å; R301-K304 HydrophobicContact CB-CD 4.2Å; R301-K304 HydrophobicContact CB-CG 4.22Å; R301-K304 PolarHBondContact O-N 2.96Å
302F72Confident82.8Confident170 Ų170131.6 Ų131.675%0.74659%0.59SS**THydrogen-bonded Turntrans-68.5-18178.3-67.1-80.6000113.6R300 K304R300-F302 HydrophobicContact CB-CD2 4.21Å; R300-F302 HydrophobicContact CB-CE2 3.67Å; R300-F302 HydrophobicContact CB-CZ 3.88Å; R300-F302 PolarHBondContact O-N 2.9Å; F302-K304 VanDerWaalsContact C-N 3.35Å
303E75.6Confident82.9Confident175 Ų175128.8 Ų128.882%0.81859%0.59SS**THydrogen-bonded Turntrans-75.2-21.8179.6-169.2174.1-162.600113.4R301 T305R301-E303 PolarHBondContact O-N 3.35Å; E303-T305 PolarHBondContact O-N 3.41Å
304K71.3Confident83.2Confident125 Ų125131.9 Ų131.954%0.54360%0.602SS.*SBendtrans-72.1106.5178.4-69.9-178.3179.7175.60109R301 F302R301-K304 HydrophobicContact CB-CD 4.2Å; R301-K304 HydrophobicContact CB-CG 4.22Å; R301-K304 PolarHBondContact O-N 2.96Å; F302-K304 VanDerWaalsContact C-N 3.35Å
305T71.8Confident83.4Confident118 Ų118127.6 Ų127.672%0.72459%0.592SS**  trans-53.3146.317148.30000111.2E303 R307E303-T305 PolarHBondContact O-N 3.41Å; T305-R307 PolarHBondContact O-N 3.12Å
306I71.3Confident83.4Confident154 Ų154128.9 Ų128.979%0.7960%0.598SS**  trans-6098.1-178.7-62.9174.1000108.9Y308I306-Y308 PolarHBondContact O-N 3.24Å
307R80.1Confident83.4Confident141 Ų141127 Ų12753%0.53260%0.599SS.*THydrogen-bonded Turntrans-70.721.8174.8-69.1-170-169.4138-0.3113.3T305 A309 S310 R311T305-R307 PolarHBondContact O-N 3.12Å; R307-A309 PolarHBondContact O-N 3.38Å; R307-S310 PolarHBondContact O-N 3.37Å; R307-S310 VanDerWaalsContact O-N 3.13Å; R307-S310 PolarHBondContact O-OG 2.89Å; R307-R311 WeakPolarHBondContact O-CG 3.43Å; R307-R311 PolarHBondContact O-N 3.01Å
308Y82.8Confident83.6Confident157 Ų157124.9 Ų124.962%0.61659%0.59SS**Hα-helixtrans-60.4-38.2-178.7-171.2-102.3000110.6I306 S310 R311 K312I306-Y308 PolarHBondContact O-N 3.24Å; Y308-S310 PolarHBondContact O-N 2.81Å; Y308-R311 PolarHBondContact O-N 3.48Å; Y308-K312 HydrophobicContact CE1-CB 4.43Å; Y308-K312 HydrophobicContact CE1-CD 3.92Å; Y308-K312 WeakPolarHBondContact O-CB 3.39Å; Y308-K312 PolarHBondContact O-N 3.37Å
309A82.9Confident83.8Confident79 Ų79120.9 Ų120.965%0.65358%0.582SS**Hα-helixtrans-55.9-48.3173.100000112.2R307 K312 A313R307-A309 PolarHBondContact O-N 3.38Å; A309-K312 PolarHBondContact O-N 3.47Å; A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.37Å
310S89.5Confident84.1Confident67 Ų67120.8 Ų120.847%0.46957%0.573SS.*Hα-helixtrans-71.8-40-179.6820000112.6R307 Y308 K312 A313 Y314R307-S310 PolarHBondContact O-N 3.37Å; R307-S310 VanDerWaalsContact O-N 3.13Å; R307-S310 PolarHBondContact O-OG 2.89Å; Y308-S310 PolarHBondContact O-N 2.81Å; S310-K312 VanDerWaalsContact C-N 3.33Å; S310-K312 PolarHBondContact O-N 3.01Å; S310-A313 PolarHBondContact O-N 3.35Å; S310-Y314 WeakPolarHBondContact O-CB 3.25Å; S310-Y314 PolarHBondContact O-N 2.83Å
311R89.8Confident84.2Confident181 Ų181121 Ų12168%0.68358%0.581SS**Hα-helixtrans-65.4-37176.6-70.5-179.8-175.4-109.63.3111.5R307 Y308 A315R307-R311 WeakPolarHBondContact O-CG 3.43Å; R307-R311 PolarHBondContact O-N 3.01Å; Y308-R311 PolarHBondContact O-N 3.48Å; R311-A315 VanDerWaalsContact O-CB 3.25Å; R311-A315 WeakPolarHBondContact O-CB 3.43Å; R311-A315 PolarHBondContact O-N 3.34Å
312K92.2Very high84.9Confident100 Ų100122.6 Ų122.644%0.43559%0.593SS.*Hα-helixtrans-67.1-49.1176.3-177.4169.9175.8-179.20110.8Y308 A309 S310 Y314 A315 E316Y308-K312 HydrophobicContact CE1-CB 4.43Å; Y308-K312 HydrophobicContact CE1-CD 3.92Å; Y308-K312 WeakPolarHBondContact O-CB 3.39Å; Y308-K312 PolarHBondContact O-N 3.37Å; A309-K312 PolarHBondContact O-N 3.47Å; S310-K312 VanDerWaalsContact C-N 3.33Å; S310-K312 PolarHBondContact O-N 3.01Å; K312-Y314 VanDerWaalsContact C-N 3.32Å; K312-Y314 PolarHBondContact O-N 3.27Å; K312-A315 CarbonylContact O-C 3.58Å; K312-A315 PolarHBondContact O-N 3.5Å; K312-A315 VanDerWaalsContact O-N 3.1Å; K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 HydrophobicContact CG-CG 4.4Å; K312-E316 VanDerWaalsContact CG-OE1 3.26Å; K312-E316 WeakPolarHBondContact CG-OE1 3.28Å; K312-E316 IonicContact NZ-OE1 3.97Å; K312-E316 WeakPolarHBondContact O-CB 3.49Å; K312-E316 VanDerWaalsContact O-CG 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.34Å; K312-E316 PolarHBondContact O-N 3.39Å
313A91.7Very high85.7Confident49 Ų49117.2 Ų117.241%0.40559%0.586SS.*Hα-helixtrans-58.2-41.5174.600000112.6A309 S310 E316 T317A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.37Å; S310-A313 PolarHBondContact O-N 3.35Å; A313-E316 PolarHBondContact O-N 3.21Å; A313-T317 WeakPolarHBondContact O-CG2 3.47Å; A313-T317 PolarHBondContact O-N 3.14Å; A313-T317 VanDerWaalsContact O-N 3.08Å; A313-T317 PolarHBondContact O-OG1 3.13Å
314Y91.1Very high86.3Confident147 Ų147118.6 Ų118.658%0.57658%0.583SS**Hα-helixtrans-67.4-38.3175.2-174.1-112.9000112.7S310 K312 E316 T317 R318S310-Y314 WeakPolarHBondContact O-CB 3.25Å; S310-Y314 PolarHBondContact O-N 2.83Å; K312-Y314 VanDerWaalsContact C-N 3.32Å; K312-Y314 PolarHBondContact O-N 3.27Å; Y314-E316 VanDerWaalsContact C-N 3.35Å; Y314-T317 WeakPolarHBondContact CA-OG1 3.45Å; Y314-T317 PolarHBondContact O-OG1 3.33Å; Y314-R318 HydrophobicContact CE1-CG 4.29Å; Y314-R318 HydrophobicContact CE2-CG 4.35Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.32Å; Y314-R318 PolarHBondContact O-N 2.98Å
315A91.3Very high87.2Confident26 Ų26116.4 Ų116.422%0.21557%0.574CS.*Hα-helixtrans-71-28.2176.300000113.2R311 K312 R320 F325R311-A315 VanDerWaalsContact O-CB 3.25Å; R311-A315 WeakPolarHBondContact O-CB 3.43Å; R311-A315 PolarHBondContact O-N 3.34Å; K312-A315 CarbonylContact O-C 3.58Å; K312-A315 PolarHBondContact O-N 3.5Å; K312-A315 VanDerWaalsContact O-N 3.1Å; A315-R320 PolarHBondContact O-NE 3.5Å; A315-R320 PolarHBondContact O-NH2 2.88Å; A315-F325 HydrophobicContact CB-CE1 4.47Å; A315-F325 HydrophobicContact CB-CZ 3.91Å; A315-F325 WeakPolarHBondContact O-CE1 2.82Å
316E90.9Very high87.9Confident125 Ų125112 Ų11258%0.58455%0.55SS*.Hα-helixtrans-78.1-35.2177.1-74.1168.3173.800111.9K312 A313 Y314K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 HydrophobicContact CG-CG 4.4Å; K312-E316 VanDerWaalsContact CG-OE1 3.26Å; K312-E316 WeakPolarHBondContact CG-OE1 3.28Å; K312-E316 IonicContact NZ-OE1 3.97Å; K312-E316 WeakPolarHBondContact O-CB 3.49Å; K312-E316 VanDerWaalsContact O-CG 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.34Å; K312-E316 PolarHBondContact O-N 3.39Å; A313-E316 PolarHBondContact O-N 3.21Å; Y314-E316 VanDerWaalsContact C-N 3.35Å
317T91.5Very high88.6Confident109 Ų109113.1 Ų113.167%0.66955%0.549SS*.Hα-helixtrans-81.4-18.3-179.850.10000114.5A313 Y314A313-T317 WeakPolarHBondContact O-CG2 3.47Å; A313-T317 PolarHBondContact O-N 3.14Å; A313-T317 VanDerWaalsContact O-N 3.08Å; A313-T317 PolarHBondContact O-OG1 3.13Å; Y314-T317 WeakPolarHBondContact CA-OG1 3.45Å; Y314-T317 PolarHBondContact O-OG1 3.33Å
318R89.9Confident88.6Confident94 Ų94117.2 Ų117.236%0.35556%0.564SS.*SBendtrans-71.2133.8178.6-81.2176.581176.76.3111.6Y314 R320 F325Y314-R318 HydrophobicContact CE1-CG 4.29Å; Y314-R318 HydrophobicContact CE2-CG 4.35Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.32Å; Y314-R318 PolarHBondContact O-N 2.98Å; R318-R320 PolarHBondContact O-N 2.9Å; R318-F325 HydrophobicContact CB-CD1 3.55Å; R318-F325 HydrophobicContact CB-CE1 3.69Å; R318-F325 HydrophobicContact CG-CD1 4.46Å
319P91.3Very high88.1Confident92 Ų92114.2 Ų114.260%0.59757%0.572SS**  trans-59.4138.9175.923.8-32.6000110.6F325 A326P319-F325 WeakPolarHBondContact O-CA 3.46Å; P319-A326 HydrophobicContact CB-CB 4.17Å; P319-A326 HydrophobicContact CG-CB 4.17Å; P319-A326 PolarHBondContact O-N 2.91Å
320R91.8Very high87Confident129 Ų129115.8 Ų115.849%0.48757%0.57SS.*EExtended strand (participates in β ladder)trans-125.9140.8-179.8-65.5174.8-177-122.48.1110A315 R318 R324 F325A315-R320 PolarHBondContact O-NE 3.5Å; A315-R320 PolarHBondContact O-NH2 2.88Å; R318-R320 PolarHBondContact O-N 2.9Å; R320-R324 CarbonylContact C-O 3.44Å; R320-R324 WeakPolarHBondContact CA-O 3.26Å; R320-R324 WeakPolarHBondContact CB-O 3.09Å; R320-F325 HydrophobicContact CG-CD1 3.88Å; R320-F325 HydrophobicContact CG-CE1 4.22Å
321I84.8Confident85.2Confident123 Ų123121.4 Ų121.463%0.63159%0.588SS**EExtended strand (participates in β ladder)trans-122.8120.2173.1-58.4169.5000106.2G323 R324 A326I321-G323 PolarHBondContact O-N 3.41Å; I321-G323 VanDerWaalsContact O-N 3.16Å; I321-R324 PolarHBondContact N-O 3.08Å; I321-R324 PolarHBondContact O-N 2.85Å; I321-A326 HydrophobicContact CD1-CB 3.86Å; I321-A326 HydrophobicContact CG1-CB 4.09Å
322K88.6Confident83.4Confident214 Ų214119.9 Ų119.993%0.9359%0.593SS**THydrogen-bonded Turntrans49.541.9-178-159.8174.1-179.3174.40113.2R324K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 PolarHBondContact O-N 3.1Å
323G88.4Confident81.3Confident57 Ų57117.9 Ų117.959%0.58860%0.601SS**THydrogen-bonded Turntrans82.8-10.5178.100000116.3I321I321-G323 PolarHBondContact O-N 3.41Å; I321-G323 VanDerWaalsContact O-N 3.16Å
324R88.3Confident79.1Confident204 Ų204123.3 Ų123.377%0.7762%0.623SS**EExtended strand (participates in β ladder)trans-97145.9176.5-63.2178.9-178.6-91.3-0.8110.3R320 I321 K322 A326R320-R324 CarbonylContact C-O 3.44Å; R320-R324 WeakPolarHBondContact CA-O 3.26Å; R320-R324 WeakPolarHBondContact CB-O 3.09Å; I321-R324 PolarHBondContact N-O 3.08Å; I321-R324 PolarHBondContact O-N 2.85Å; K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 PolarHBondContact O-N 3.1Å; R324-A326 PolarHBondContact O-N 2.8Å
325F90.9Very high77.1Confident78 Ų78121 Ų12134%0.34264%0.635SS.*EExtended strand (participates in β ladder)trans-59.1131.6171.4-65.8-54.7000109.9A315 R318 P319 R320 K327A315-F325 HydrophobicContact CB-CE1 4.47Å; A315-F325 HydrophobicContact CB-CZ 3.91Å; A315-F325 WeakPolarHBondContact O-CE1 2.82Å; R318-F325 HydrophobicContact CB-CD1 3.55Å; R318-F325 HydrophobicContact CB-CE1 3.69Å; R318-F325 HydrophobicContact CG-CD1 4.46Å; P319-F325 WeakPolarHBondContact O-CA 3.46Å; R320-F325 HydrophobicContact CG-CD1 3.88Å; R320-F325 HydrophobicContact CG-CE1 4.22Å; F325-K327 PolarHBondContact O-N 3.35Å
326A87.7Confident75.2Confident27 Ų27127.1 Ų127.122%0.22366%0.664CS.*PPolyproline II helixtrans-61.7121.5174.500000108.6P319 I321 R324P319-A326 HydrophobicContact CB-CB 4.17Å; P319-A326 HydrophobicContact CG-CB 4.17Å; P319-A326 PolarHBondContact O-N 2.91Å; I321-A326 HydrophobicContact CD1-CB 3.86Å; I321-A326 HydrophobicContact CG1-CB 4.09Å; R324-A326 PolarHBondContact O-N 2.8Å
327K85.2Confident73.5Confident176 Ų176124.9 Ų124.977%0.76567%0.667SS**PPolyproline II helixtrans-76122.7163.4-164.8-176.9176.5-166.80105F325 A329F325-K327 PolarHBondContact O-N 3.35Å; K327-A329 PolarHBondContact O-N 2.82Å; K327-A329 VanDerWaalsContact O-N 3.17Å
328R79.8Confident71.7Confident227 Ų227126.4 Ų126.486%0.85767%0.671SS**PPolyproline II helixtrans-58.2123.2166.1-66.2179.7179.8-178-2.2105D330R328-D330 PolarHBondContact O-N 3.03Å; R328-D330 VanDerWaalsContact O-N 3.14Å
329A71.6Confident70Confident94 Ų94129.2 Ų129.278%0.77769%0.693SS**PPolyproline II helixtrans-59.2119.3166.400000105.1K327 H331K327-A329 PolarHBondContact O-N 2.82Å; K327-A329 VanDerWaalsContact O-N 3.17Å; A329-H331 VanDerWaalsContact C-N 3.33Å; A329-H331 PolarHBondContact O-N 3.42Å
330D60.4Low68Low113 Ų113129.8 Ų129.860%0.60471%0.706SS**  trans-61.5105.5167-57.5-55000104.3R328 D332R328-D330 PolarHBondContact O-N 3.03Å; R328-D330 VanDerWaalsContact O-N 3.14Å; D330-D332 PolarHBondContact O-N 3.49Å
331H52.5Low65.9Low185 Ų185132.6 Ų132.686%0.85672%0.724SS**  trans-7468.3172.6178.9-64.6000107A329A329-H331 VanDerWaalsContact C-N 3.33Å; A329-H331 PolarHBondContact O-N 3.42Å
332D51.7Low64.1Low148 Ų148131.4 Ų131.479%0.79173%0.732SS**  trans-134.294.6173.1-65.4-50000105.7D330D330-D332 PolarHBondContact O-N 3.49Å
333G47.9Very low62.3Low58 Ų58130 Ų13060%0.59873%0.729SS**SBendtrans161.973.8-178.100000112
334D45.7Very low60.2Low163 Ų163130.7 Ų130.787%0.87273%0.73SS**  trans35.897133.4-48-40.4000116.5
335A47.9Very low58.2Low100 Ų100129.8 Ų129.883%0.82673%0.734SS**  trans-145.8108.3155.700000109.2
336D53.2Low56Low154 Ų154130.4 Ų130.482%0.82475%0.753SS**  trans-57.3166178.1-54.5-86.9000114.7
337A54.2Low53.8Low78 Ų78134.1 Ų134.165%0.64578%0.784SS**  trans85.7104.7140.400000119.5
338D53.5Low52.3Low141 Ų141132.2 Ų132.275%0.75479%0.787SS**  88.3130.4125.4-53.8-31.2000121.2
339D54.6Low50.7Low153 Ų153126.2 Ų126.282%0.81878%0.777SS**  trans75101.2151.2-50.6-38.8000120.3
340A50Low49.6Very low104 Ų104129.6 Ų129.686%0.8678%0.779SS**  161.8133.7111.400000112.1
341E47.1Very low49.3Very low188 Ų188128.1 Ų128.188%0.87978%0.778SS**  trans-103.3130.9-160.6-30.9-172.8-16100110
342A47.8Very low48.8Very low97 Ų97130 Ų13080%0.80278%0.779SS**  trans-159.891.5161.400000111
343E50.6Low48.8Very low184 Ų184129.6 Ų129.686%0.8678%0.781SS**  trans3.8138134-50.9-78.3149.200115.2
344A44.4Very low48.7Very low73 Ų73135 Ų13560%0.60380%0.796SS**  cis-175.9156.224.700000110.2
345E46.4Very low48.7Very low185 Ų185134.4 Ų134.486%0.86479%0.792SS**  trans67.5126.7148.6-49.9-77.2149.400117.9
346A43.2Very low48.6Very low90 Ų90139.4 Ų139.474%0.74480%0.796SS**  cis-168.1161.612.900000110.5
347A41Very low48.4Very low105 Ų105135.3 Ų135.387%0.86879%0.79SS**  trans95.5109.8163.600000118.6
348V54.1Low48.4Very low136 Ų136142.7 Ų142.782%0.82480%0.803SS**  trans-115.2-172.6-172.1-159.40000108.1
349P47.8Very low48.4Very low101 Ų101139.9 Ų139.966%0.65681%0.807SS**  -120.8-173.8-95.539.7-22.3000113
350M47Very low48.8Very low166 Ų166139 Ų13982%0.81881%0.807SS**  trans-171.4112.4132.6-135.865.5-177.700112.1
351S54.8Low49.3Very low82 Ų82140.1 Ų140.157%0.57380%0.803SS**  68.6118.4124.470.20000122.1
352Y42.1Very low50Low224 Ų224136.2 Ų136.288%0.87879%0.793SS**  trans39.9130.2132.1-55.7-85.5000117.6
353V51.2Low50.9Low139 Ų139137.2 Ų137.284%0.84280%0.795SS**  -162.9135.869.6-175.90000108.9
354L45.9Very low51.1Low172 Ų172141.5 Ų141.590%0.90181%0.811SS**  trans-75.3129.8167.8-68.5164000109.9
355D46.5Very low51.4Low150 Ų150144.9 Ų144.980%0.80282%0.821SS**  trans-157.8148.2148.2-140.1-8.6000112.8
356F44.4Very low51.7Low206 Ų206142.8 Ų142.890%0.90482%0.819SS**  trans-64.3147.3-169.3-65.7-99.1000114.2
357G49.5Very low52.2Low67 Ų67145.7 Ų145.769%0.69182%0.823SS**  trans157.8118.415900000115.6G359G357-G359 PolarHBondContact O-N 3Å
358Y54.3Low52.8Low234 Ų234148.1 Ų148.192%0.91882%0.821SS**  trans-16.8115.6166.2-67.4-93.1000115.9V360Y358-V360 PolarHBondContact O-N 3.33Å
359G52.9Low52.8Low82 Ų82148.9 Ų148.985%0.84582%0.82SS**  trans-62.2101.2173.800000112.2G357G357-G359 PolarHBondContact O-N 3Å
360V64.5Low53.1Low133 Ų133152.1 Ų152.181%0.80683%0.831SS**PPolyproline II helixtrans-69.3123.6161.7175.50000107.6Y358 P362Y358-V360 PolarHBondContact O-N 3.33Å; V360-P362 WeakPolarHBondContact O-CD 3.48Å
361V60.2Low53.5Low128 Ų128151.1 Ų151.178%0.77683%0.832SS**PPolyproline II helixtrans-81.4120.9171.9179.20000108.1S363V361-S363 PolarHBondContact O-N 2.87Å
362P61.6Low53.4Low106 Ų106156.4 Ų156.469%0.68885%0.852SS**PPolyproline II helixtrans-66.1123.5173.1-18.832.3000110.3V360V360-P362 WeakPolarHBondContact O-CD 3.48Å
363S66.5Low54.4Low118 Ų118150.8 Ų150.883%0.82585%0.85SS**  trans-89.6115.6163.442.30000108.4V361V361-S363 PolarHBondContact O-N 2.87Å
364F55.2Low54.7Low274 Ų274151.8 Ų151.8100%1.20285%0.851SS**  trans-71.40157.4-74.9-83.1000110.5

Retrieved 364 of 364 residues in 56.9 ms (Link to these results)