A0A077ZKT9_TRITR Loading...

CYTH domain containing protein

AlphaFold DB (P30871), UniProt , Accession A0A077ZKT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.1Confident95.2Very high81 Ų8130.5 Ų30.540%0.39917%0.165SC..  0153.30-68.9-179.1-77.500110.8V70 P82 E101 V102M1-V70 HydrophobicContact CE-CG2 3.98Å; M1-V70 HydrophobicContact SD-CG1 4.41Å; M1-V70 HydrophobicContact SD-CG2 4.09Å; M1-P82 HydrophobicContact CB-CB 4.03Å; M1-P82 HydrophobicContact CE-CB 3.99Å; M1-P82 HydrophobicContact SD-CB 4.2Å; M1-E101 HydrophobicContact CE-CB 4.32Å; M1-E101 PolarHBondContact N-OE2 2.88Å; M1-V102 HydrophobicContact SD-CG2 3.78Å
2A89.8Confident95.5Very high56 Ų5631.4 Ų31.446%0.46317%0.17SC..EExtended strand (participates in β ladder)trans-71.5159.4171.400000109.9P82 E83A2-P82 CarbonylContact O-C 3.6Å; A2-P82 VanDerWaalsContact O-CA 3.22Å; A2-P82 WeakPolarHBondContact O-CA 3.27Å; A2-E83 HydrophobicContact CB-CG 4.48Å; A2-E83 PolarHBondContact N-O 3.2Å; A2-E83 PolarHBondContact O-N 2.88Å
3Q92.3Very high95.7Very high121 Ų12140.1 Ų40.157%0.56521%0.208SC*.EExtended strand (participates in β ladder)trans-114.3113.7176.4-77.1-70.5-12.100109.2
4E95.5Very high95.8Very high13 Ų1344.4 Ų44.46%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-82.4130.1168.9-178.5-172.6-124.200108.7K69 Q80 R81 E83E4-K69 IonicContact OE1-NZ 2.72Å; E4-K69 PolarHBondContact OE1-NZ 3.16Å; E4-K69 WeakPolarHBondContact OE2-CE 3.15Å; E4-K69 IonicContact OE2-NZ 3.74Å; E4-K69 PolarHBondContact OE2-NZ 3.17Å; E4-Q80 CarbonylContact O-C 3.51Å; E4-Q80 VanDerWaalsContact O-CA 3.28Å; E4-Q80 WeakPolarHBondContact O-CA 3.31Å; E4-R81 PolarHBondContact N-O 3.05Å; E4-R81 PolarHBondContact O-N 2.95Å; E4-E83 HydrophobicContact CB-CG 4.07Å
5I97.3Very high96Very high30 Ų3042.5 Ų42.515%0.15424%0.236CC..EExtended strand (participates in β ladder)trans-125.7111.1171.9-59.7178.3000107.4L78 H79 Q80 L163 T168I5-L78 HydrophobicContact CG2-CD1 4.05Å; I5-H79 WeakPolarHBondContact CA-O 3.37Å; I5-Q80 HydrophobicContact CG1-CG 4.19Å; I5-Q80 HydrophobicContact CG2-CG 4.26Å; I5-L163 HydrophobicContact CB-CB 4.24Å; I5-L163 HydrophobicContact CD1-CD2 4.41Å; I5-L163 HydrophobicContact CG2-CB 4.4Å; I5-L163 HydrophobicContact CG2-CD2 4.47Å; I5-L163 PolarHBondContact O-N 3.39Å; I5-T168 HydrophobicContact CG2-CG2 4.32Å
6E97.8Very high96.1Very high5 Ų540.1 Ų40.12%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-134.1143.9-179.863166.7-158.800111.6K8 L78 H79 L161 E162E6-K8 IonicContact OE1-NZ 3.1Å; E6-K8 PolarHBondContact OE1-NZ 3.49Å; E6-K8 IonicContact OE2-NZ 2.8Å; E6-L78 CarbonylContact O-C 3.57Å; E6-L78 WeakPolarHBondContact O-CA 3.41Å; E6-H79 HydrophobicContact CG-CB 3.79Å; E6-H79 PolarHBondContact N-O 3.2Å; E6-H79 PolarHBondContact O-N 3.24Å; E6-H79 IonicContact OE1-CD2 3.14Å; E6-H79 IonicContact OE1-CG 3.03Å; E6-L161 CarbonylContact C-O 3.56Å; E6-L161 VanDerWaalsContact CA-O 3.3Å; E6-L161 WeakPolarHBondContact CA-O 3.42Å; E6-E162 HydrophobicContact CB-CB 4.29Å; E6-E162 HydrophobicContact CB-CG 4.43Å
7L98.6Very high96.3Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-105.5117.8169.1177.957.3000109.8F9 G77 L78 L161 V171 L172 A175 Q186 L311L7-F9 HydrophobicContact CD1-CE2 4.49Å; L7-F9 HydrophobicContact CD1-CZ 4.47Å; L7-F9 HydrophobicContact CD2-CE2 3.78Å; L7-F9 HydrophobicContact CD2-CZ 3.79Å; L7-F9 HydrophobicContact CG-CD2 4.43Å; L7-F9 HydrophobicContact CG-CE2 3.63Å; L7-F9 HydrophobicContact CG-CZ 3.94Å; L7-G77 WeakPolarHBondContact CA-O 3.49Å; L7-L78 HydrophobicContact CB-CD1 4.11Å; L7-L78 HydrophobicContact CD1-CB 4.32Å; L7-L161 HydrophobicContact CB-CB 4.31Å; L7-L161 HydrophobicContact CD2-CD1 4.4Å; L7-L161 PolarHBondContact N-O 2.93Å; L7-L161 PolarHBondContact O-N 2.84Å; L7-V171 HydrophobicContact CB-CG1 3.59Å; L7-V171 HydrophobicContact CD2-CG1 4.17Å; L7-L172 HydrophobicContact CD2-CD2 4.35Å; L7-A175 HydrophobicContact CD2-CB 3.51Å; L7-Q186 HydrophobicContact CD1-CG 4.41Å; L7-L311 HydrophobicContact CD2-CD1 4.28Å
8K98.8Very high96.4Very high2 Ų245.2 Ų45.21%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-100.3131.8-176.4-167.3178-47.6-50.70112.3E6 G77 H79 L159 E160 Q186 G187E6-K8 IonicContact OE1-NZ 3.1Å; E6-K8 PolarHBondContact OE1-NZ 3.49Å; E6-K8 IonicContact OE2-NZ 2.8Å; K8-G77 PolarHBondContact N-O 3.29Å; K8-H79 WeakPolarHBondContact CE-NE2 3.44Å; K8-L159 CarbonylContact C-O 3.57Å; K8-L159 WeakPolarHBondContact CA-O 3.37Å; K8-E160 HydrophobicContact CG-CG 4.28Å; K8-E160 VanDerWaalsContact NZ-CD 3.27Å; K8-E160 IonicContact NZ-OE1 3.93Å; K8-E160 PolarHBondContact NZ-OE1 3.22Å; K8-Q186 WeakPolarHBondContact O-CA 3.42Å; K8-G187 PolarHBondContact O-N 3.4Å
9F98.8Very high96.5Very high2 Ų242.9 Ų42.91%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-116.9134.9166.6-60.9-90.7000110.4L7 E158 L159 L161 A175 V179 L184 R185 Q186L7-F9 HydrophobicContact CD1-CE2 4.49Å; L7-F9 HydrophobicContact CD1-CZ 4.47Å; L7-F9 HydrophobicContact CD2-CE2 3.78Å; L7-F9 HydrophobicContact CD2-CZ 3.79Å; L7-F9 HydrophobicContact CG-CD2 4.43Å; L7-F9 HydrophobicContact CG-CE2 3.63Å; L7-F9 HydrophobicContact CG-CZ 3.94Å; F9-E158 CarbonylContact O-C 3.52Å; F9-E158 WeakPolarHBondContact O-CA 3.43Å; F9-E158 VanDerWaalsContact O-CB 3.23Å; F9-E158 WeakPolarHBondContact O-CB 3.37Å; F9-L159 HydrophobicContact CB-CB 4.29Å; F9-L159 HydrophobicContact CD2-CD2 4.44Å; F9-L159 PolarHBondContact N-O 3.12Å; F9-L159 PolarHBondContact O-N 3.36Å; F9-L161 HydrophobicContact CE2-CD1 3.95Å; F9-L161 HydrophobicContact CE2-CG 4.39Å; F9-A175 HydrophobicContact CE2-CB 4.21Å; F9-A175 HydrophobicContact CZ-CB 3.88Å; F9-V179 HydrophobicContact CE1-CG1 3.81Å; F9-V179 HydrophobicContact CZ-CG1 4.2Å; F9-L184 HydrophobicContact CB-CB 4.36Å; F9-L184 HydrophobicContact CB-CD2 4.22Å; F9-L184 HydrophobicContact CD1-CB 3.98Å; F9-L184 HydrophobicContact CG-CB 4.37Å; F9-R185 CarbonylContact C-O 3.54Å; F9-R185 WeakPolarHBondContact CA-O 3.35Å; F9-Q186 HydrophobicContact CD1-CG 4.11Å; F9-Q186 HydrophobicContact CE1-CG 3.71Å; F9-Q186 HydrophobicContact CZ-CG 4.39Å
10I98.8Very high96.6Very high22 Ų2243 Ų4311%0.11324%0.237CC..EExtended strand (participates in β ladder)trans-79.9135.9161-51.5-55000107E158 R185 Y302I10-E158 HydrophobicContact CD1-CB 4.04Å; I10-R185 HydrophobicContact CB-CG 3.96Å; I10-R185 PolarHBondContact N-O 3.35Å; I10-R185 PolarHBondContact O-N 3.02Å; I10-R185 VanDerWaalsContact O-N 3.1Å; I10-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I10-Y302 WeakPolarHBondContact O-CE1 3.12Å
11V98.8Very high96.6Very high4 Ų445.9 Ų45.92%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-103126-178-177.60000108.1H13 V16 L19 L142 C157 L159 G183 L184V11-H13 PolarHBondContact O-N 3.39Å; V11-V16 HydrophobicContact CG1-CG2 3.93Å; V11-L19 HydrophobicContact CB-CD2 4.45Å; V11-L19 HydrophobicContact CG1-CD2 3.85Å; V11-L19 HydrophobicContact CG2-CD2 3.66Å; V11-L142 HydrophobicContact CG2-CD1 4.32Å; V11-C157 PolarHBondContact N-O 3.43Å; V11-C157 PolarHBondContact O-SG 3.27Å; V11-L159 HydrophobicContact CG2-CB 3.88Å; V11-G183 CarbonylContact C-O 3.5Å; V11-G183 WeakPolarHBondContact CA-O 3.3Å; V11-L184 HydrophobicContact CB-CD2 4.47Å; V11-L184 HydrophobicContact CG1-CD2 4.47Å; V11-L184 HydrophobicContact CG2-CD2 3.77Å
12N98.5Very high97.4Very high41 Ų4143.5 Ų43.522%0.21924%0.24CC..PPolyproline II helixtrans-61.2126.8168.9-175.614.5000108.7S14 A15 G183 Y302N12-S14 PolarHBondContact ND2-OG 3.37Å; N12-S14 PolarHBondContact O-N 3.24Å; N12-A15 HydrophobicContact CB-CB 4.45Å; N12-A15 WeakPolarHBondContact O-CB 3.47Å; N12-A15 PolarHBondContact O-N 3.35Å; N12-G183 PolarHBondContact N-O 3.44Å; N12-Y302 HydrophobicContact CB-CD1 3.85Å; N12-Y302 HydrophobicContact CB-CD2 3.87Å; N12-Y302 HydrophobicContact CB-CE1 3.85Å; N12-Y302 HydrophobicContact CB-CE2 3.88Å; N12-Y302 HydrophobicContact CB-CG 3.84Å
13H97.9Very high97.8Very high144 Ų14440.9 Ų40.967%0.66722%0.218SC*.G310 helixtrans-54.1-37.1-170.5-171.967.9000113.2V11 A15 V16V11-H13 PolarHBondContact O-N 3.39Å; H13-A15 PolarHBondContact O-N 2.98Å; H13-V16 WeakPolarHBondContact O-CG2 3.37Å; H13-V16 PolarHBondContact O-N 2.91Å
14S97.8Very high98.1Very high101 Ų10138.7 Ų38.771%0.70621%0.211SC*.G310 helixtrans-69.8-11.7178.2640000114.9N12N12-S14 PolarHBondContact ND2-OG 3.37Å; N12-S14 PolarHBondContact O-N 3.24Å
15A98.2Very high98.2Very high15 Ų1543 Ų4312%0.12424%0.238CC..G310 helixtrans-99.6-3.4-177.400000113.4N12 H13 E17 A18 L19N12-A15 HydrophobicContact CB-CB 4.45Å; N12-A15 WeakPolarHBondContact O-CB 3.47Å; N12-A15 PolarHBondContact O-N 3.35Å; H13-A15 PolarHBondContact O-N 2.98Å; A15-E17 PolarHBondContact O-N 2.68Å; A15-A18 PolarHBondContact O-N 2.52Å; A15-L19 WeakPolarHBondContact O-CB 3.45Å; A15-L19 PolarHBondContact O-N 2.9Å
16V98.5Very high98.2Very high4 Ų443.5 Ų43.52%0.02424%0.241CC..Hα-helixtrans-56.9-49.9-174.9163.30000112.9V11 H13 L19 R20 C157V11-V16 HydrophobicContact CG1-CG2 3.93Å; H13-V16 WeakPolarHBondContact O-CG2 3.37Å; H13-V16 PolarHBondContact O-N 2.91Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 PolarHBondContact O-N 3.33Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-C157 VanDerWaalsContact CG2-SG 3.56Å
17E98.2Very high97.9Very high117 Ų11746.9 Ų46.955%0.54728%0.276SS..Hα-helixtrans-63.6-47.3-177.3-64.2-55.1126.900111.3A15 L19 R20 D21A15-E17 PolarHBondContact O-N 2.68Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 3.35Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 IonicContact OE1-CZ 2.57Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 3.06Å; E17-R20 IonicContact OE1-NH2 3.96Å; E17-R20 IonicContact OE2-NH1 2.73Å; E17-R20 PolarHBondContact OE2-NH1 2.84Å; E17-D21 PolarHBondContact O-N 3.24Å
18A98Very high97.8Very high56 Ų5648.1 Ų48.146%0.46329%0.289SS..Hα-helixtrans-62.3-35.8176.600000112.3A15 H22A15-A18 PolarHBondContact O-N 2.52Å; A18-H22 WeakPolarHBondContact O-CB 3.37Å; A18-H22 PolarHBondContact O-N 3.1Å
19L98.4Very high97.7Very high2 Ų253.5 Ų53.51%0.0131%0.314CS..Hα-helixtrans-64.9-48.9173.8178.263.7000111.1V11 A15 V16 E17 D21 H22 L23 L142 L159 L184V11-L19 HydrophobicContact CB-CD2 4.45Å; V11-L19 HydrophobicContact CG1-CD2 3.85Å; V11-L19 HydrophobicContact CG2-CD2 3.66Å; A15-L19 WeakPolarHBondContact O-CB 3.45Å; A15-L19 PolarHBondContact O-N 2.9Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 PolarHBondContact O-N 3.33Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 3.35Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.1Å; L19-H22 PolarHBondContact O-N 3.22Å; L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.16Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.93Å; L19-L142 HydrophobicContact CD2-CD1 4.04Å; L19-L159 HydrophobicContact CD1-CD2 4.33Å; L19-L159 HydrophobicContact CD2-CB 4.49Å; L19-L159 HydrophobicContact CD2-CD1 4.35Å; L19-L159 HydrophobicContact CD2-CD2 4.36Å; L19-L184 HydrophobicContact CD1-CD1 4.36Å; L19-L184 HydrophobicContact CD1-CD2 4.29Å; L19-L184 HydrophobicContact CD2-CD2 3.9Å
20R98.3Very high97.7Very high44 Ų4456.7 Ų56.717%0.16633%0.329CS..Hα-helixtrans-58.6-45.3177.7-172.3-175.5-63.9107.3-1.9111.5V16 E17 H22 L23 N24 E127 W129 L142V16-R20 PolarHBondContact O-N 2.88Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 IonicContact OE1-CZ 2.57Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 3.06Å; E17-R20 IonicContact OE1-NH2 3.96Å; E17-R20 IonicContact OE2-NH1 2.73Å; E17-R20 PolarHBondContact OE2-NH1 2.84Å; R20-H22 VanDerWaalsContact C-N 3.33Å; R20-H22 PolarHBondContact O-N 2.84Å; R20-L23 PolarHBondContact O-N 3.48Å; R20-N24 PolarHBondContact O-N 3.05Å; R20-N24 PolarHBondContact O-ND2 3.01Å; R20-E127 WeakPolarHBondContact CD-OE2 3.39Å; R20-E127 IonicContact CZ-OE2 3.61Å; R20-E127 IonicContact NE-OE1 2.75Å; R20-E127 IonicContact NE-OE2 3.73Å; R20-E127 PolarHBondContact NE-OE2 2.78Å; R20-E127 IonicContact NH2-OE2 3.8Å; R20-W129 HydrophobicContact CG-CH2 4.21Å; R20-W129 HydrophobicContact CG-CZ2 3.96Å; R20-L142 HydrophobicContact CB-CD2 4.44Å
21D97.9Very high97.7Very high103 Ų10359.4 Ų59.455%0.55134%0.341SS*.Hα-helixtrans-57.2-46.6175.7-74-16.7000111.2E17 L19 N24 T25E17-D21 PolarHBondContact O-N 3.24Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.1Å; D21-N24 PolarHBondContact O-N 3.01Å; D21-T25 WeakPolarHBondContact O-CG2 3.46Å; D21-T25 PolarHBondContact O-N 3.39Å
22H98.1Very high97.6Very high32 Ų3265 Ų6515%0.14837%0.371CS..Hα-helixtrans-63-45.6176.6-177-170.8000111.9A18 L19 R20 N24 T25 Q181A18-H22 WeakPolarHBondContact O-CB 3.37Å; A18-H22 PolarHBondContact O-N 3.1Å; L19-H22 PolarHBondContact O-N 3.22Å; R20-H22 VanDerWaalsContact C-N 3.33Å; R20-H22 PolarHBondContact O-N 2.84Å; H22-N24 VanDerWaalsContact C-N 3.26Å; H22-N24 PolarHBondContact O-N 3Å; H22-T25 WeakPolarHBondContact O-CB 3.48Å; H22-T25 PolarHBondContact O-N 2.85Å; H22-T25 PolarHBondContact O-OG1 3.26Å; H22-Q181 VanDerWaalsContact ND1-CD 3.33Å; H22-Q181 PolarHBondContact ND1-NE2 2.61Å; H22-Q181 VanDerWaalsContact ND1-NE2 3.15Å; H22-Q181 PolarHBondContact ND1-OE1 2.92Å
23L98.2Very high97.6Very high0 Ų065.9 Ų65.90%038%0.379CS..Hα-helixtrans-58.9-38.3178.4-68.1177.1000112.1L19 R20 T25 L26 W129 I140 L159 L178L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.16Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.48Å; L23-T25 PolarHBondContact O-N 3.25Å; L23-L26 HydrophobicContact CD2-CD1 3.81Å; L23-L26 WeakPolarHBondContact O-CB 3.35Å; L23-L26 WeakPolarHBondContact O-CG 3.34Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-L26 VanDerWaalsContact O-N 3.08Å; L23-W129 HydrophobicContact CB-CD2 4.02Å; L23-W129 HydrophobicContact CB-CE3 4.43Å; L23-W129 HydrophobicContact CB-CH2 4.43Å; L23-W129 HydrophobicContact CB-CZ2 4.01Å; L23-W129 HydrophobicContact CD1-CD2 4.28Å; L23-W129 HydrophobicContact CD1-CE3 3.84Å; L23-W129 HydrophobicContact CD1-CH2 3.82Å; L23-W129 HydrophobicContact CD1-CZ2 4.25Å; L23-W129 HydrophobicContact CD1-CZ3 3.6Å; L23-I140 HydrophobicContact CD1-CG2 4.04Å; L23-I140 HydrophobicContact CD2-CD1 4.01Å; L23-I140 HydrophobicContact CD2-CG2 3.96Å; L23-L159 HydrophobicContact CD1-CD1 3.81Å; L23-L178 HydrophobicContact CD2-CD2 3.79Å
24N97.7Very high97.6Very high76 Ų7660.6 Ų60.641%0.40636%0.357SS..Hα-helixtrans-64-19.7175.4-74.8-31.5000113.9R20 D21 H22 L26 W129R20-N24 PolarHBondContact O-N 3.05Å; R20-N24 PolarHBondContact O-ND2 3.01Å; D21-N24 PolarHBondContact O-N 3.01Å; H22-N24 VanDerWaalsContact C-N 3.26Å; H22-N24 PolarHBondContact O-N 3Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-W129 PolarHBondContact OD1-NE1 3.21Å
25T97.5Very high97.7Very high103 Ų10358.9 Ų58.963%0.63234%0.338SS*.THydrogen-bonded Turntrans-80.6-11.5174.972.20000114D21 H22 L23 G27D21-T25 WeakPolarHBondContact O-CG2 3.46Å; D21-T25 PolarHBondContact O-N 3.39Å; H22-T25 WeakPolarHBondContact O-CB 3.48Å; H22-T25 PolarHBondContact O-N 2.85Å; H22-T25 PolarHBondContact O-OG1 3.26Å; L23-T25 PolarHBondContact O-N 3.25Å; T25-G27 PolarHBondContact O-N 3.47Å
26L96.4Very high97.7Very high41 Ų4158.4 Ų58.422%0.21533%0.333CS..THydrogen-bonded Turntrans-72.3-14.4-175.8-59.8179.8000113.4L23 N24 G28 V131 I140 L174L23-L26 HydrophobicContact CD2-CD1 3.81Å; L23-L26 WeakPolarHBondContact O-CB 3.35Å; L23-L26 WeakPolarHBondContact O-CG 3.34Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-L26 VanDerWaalsContact O-N 3.08Å; N24-L26 VanDerWaalsContact C-N 3.33Å; L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.81Å; L26-V131 HydrophobicContact CB-CG1 4.28Å; L26-I140 HydrophobicContact CD1-CD1 3.64Å; L26-L174 HydrophobicContact CD1-CD1 4.29Å
27G93.1Very high97.7Very high75 Ų7562.3 Ų62.377%0.77335%0.353SS*.  trans71.120.7179.400000114.6T25T25-G27 PolarHBondContact O-N 3.47Å
28G95Very high97.7Very high26 Ų2656.9 Ų56.927%0.26833%0.328SS..  trans-77.3169.9173.300000113.6L26 H30 L130L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.81Å; G28-H30 PolarHBondContact O-N 3.4Å; G28-L130 CarbonylContact C-O 3.52Å; G28-L130 WeakPolarHBondContact CA-O 3.48Å
29E97.8Very high97.7Very high115 Ų11557.8 Ų57.854%0.53732%0.324SS..EExtended strand (participates in β ladder)trans-74.4113.3170.1-176.2-172.6162.100109.1H31 W129 L130E29-H31 IonicContact OE1-CD2 3.2Å; E29-H31 IonicContact OE1-CE1 3.25Å; E29-H31 IonicContact OE1-NE2 2.71Å; E29-H31 PolarHBondContact OE1-NE2 3.36Å; E29-W129 CarbonylContact O-C 3.53Å; E29-W129 VanDerWaalsContact O-CA 3.28Å; E29-W129 WeakPolarHBondContact O-CA 3.46Å; E29-L130 HydrophobicContact CB-CB 4.23Å; E29-L130 PolarHBondContact N-O 3.2Å; E29-L130 PolarHBondContact O-N 3.01Å
30H98.4Very high97.7Very high70 Ų7058.3 Ų58.332%0.32433%0.326SS..EExtended strand (participates in β ladder)trans-95.8136.3-178170.5-111.8000111.7G28 D32 E127 K128 W129G28-H30 PolarHBondContact O-N 3.4Å; H30-D32 IonicContact CE1-OD1 2.87Å; H30-E127 IonicContact CD2-OE1 2.71Å; H30-E127 IonicContact CE1-OE1 2.92Å; H30-E127 IonicContact NE2-OE1 3.77Å; H30-E127 PolarHBondContact NE2-OE1 2.95Å; H30-K128 CarbonylContact C-O 3.55Å; H30-K128 WeakPolarHBondContact CA-O 3.48Å; H30-K128 PolarHBondContact CD2-O 2.88Å; H30-W129 AromaticContact CD2-CD1 3.76Å; H30-W129 AromaticContact CD2-CE2 3.39Å; H30-W129 AromaticContact CD2-CZ2 3.73Å; H30-W129 AromaticContact CD2-NE1 3.21Å; H30-W129 PolarHBondContact CD2-NE1 2.83Å; H30-W129 AromaticContact CG-NE1 3.82Å; H30-W129 AromaticContact NE2-CZ2 3.92Å
31H98.3Very high97.8Very high78 Ų7857.7 Ų57.736%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-121.1130.5169.7-57.3161.5000110.1E29 K128E29-H31 IonicContact OE1-CD2 3.2Å; E29-H31 IonicContact OE1-CE1 3.25Å; E29-H31 IonicContact OE1-NE2 2.71Å; E29-H31 PolarHBondContact OE1-NE2 3.36Å; H31-K128 HydrophobicContact CB-CB 4.33Å; H31-K128 PolarHBondContact N-O 3.43Å; H31-K128 PolarHBondContact O-N 2.94Å; H31-K128 VanDerWaalsContact O-N 3.13Å
32D97.8Very high97.8Very high121 Ų12153 Ų5365%0.64730%0.299SS*.EExtended strand (participates in β ladder)trans-55.6156.9176.4-75-50.6000112.9H30 V34H30-D32 IonicContact CE1-OD1 2.87Å; D32-V34 PolarHBondContact O-N 2.96Å
33P98.3Very high97.8Very high61 Ų6151.6 Ų51.640%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-57130.2-177.8-21.629.7000113.6Y125 R126 E127P33-Y125 HydrophobicContact CB-CD1 4.35Å; P33-R126 WeakPolarHBondContact CA-O 3.45Å; P33-E127 HydrophobicContact CB-CB 4.4Å; P33-E127 HydrophobicContact CG-CB 4Å; P33-E127 HydrophobicContact CG-CG 4Å
34V98.4Very high97.8Very high32 Ų3257 Ų5719%0.19433%0.328CS..EExtended strand (participates in β ladder)trans-115.3140.3172.2-62.90000110.7D32 L36 Y125 R126D32-V34 PolarHBondContact O-N 2.96Å; V34-L36 HydrophobicContact CG2-CD2 4.26Å; V34-Y125 CarbonylContact O-C 3.54Å; V34-Y125 VanDerWaalsContact O-CA 3.31Å; V34-Y125 WeakPolarHBondContact O-CA 3.37Å; V34-R126 PolarHBondContact N-O 3.05Å; V34-R126 PolarHBondContact O-N 3.29Å
35Q98.6Very high97.8Very high66 Ų6657.8 Ų57.831%0.30833%0.332SS..EExtended strand (participates in β ladder)trans-77.5126.7176.5-167.4-179.618.700110.5L37 D123 Y125Q35-L37 HydrophobicContact CG-CD2 4.23Å; Q35-L37 HydrophobicContact CG-CG 4.45Å; Q35-D123 PolarHBondContact NE2-OD1 2.95Å; Q35-D123 PolarHBondContact NE2-OD2 2.8Å; Q35-Y125 HydrophobicContact CB-CD1 4.12Å; Q35-Y125 HydrophobicContact CB-CE1 3.82Å; Q35-Y125 HydrophobicContact CG-CE1 4.37Å; Q35-Y125 HydrophobicContact CG-CE2 4.4Å
36L98.6Very high97.8Very high5 Ų555.3 Ų55.33%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-112.8115.1174.3-60.3-175.1000109.8V34 N38 E60 F124 R126V34-L36 HydrophobicContact CG2-CD2 4.26Å; L36-N38 PolarHBondContact O-ND2 3.1Å; L36-E60 HydrophobicContact CD2-CB 3.87Å; L36-E60 HydrophobicContact CD2-CG 3.8Å; L36-F124 HydrophobicContact CB-CE2 4.19Å; L36-F124 HydrophobicContact CB-CZ 4.16Å; L36-F124 HydrophobicContact CD1-CE2 3.85Å; L36-F124 HydrophobicContact CD1-CZ 4.07Å; L36-F124 HydrophobicContact CG-CE2 4.44Å; L36-F124 PolarHBondContact N-O 2.96Å; L36-F124 PolarHBondContact O-N 3.32Å; L36-R126 HydrophobicContact CD1-CB 3.9Å; L36-R126 HydrophobicContact CG-CB 4.35Å
37L98.4Very high97.8Very high85 Ų8555.6 Ų55.645%0.44531%0.313SS..EExtended strand (participates in β ladder)trans-100.2119.5177.5-63.2178.1000109.2Q35 R58 G59 D123Q35-L37 HydrophobicContact CG-CD2 4.23Å; Q35-L37 HydrophobicContact CG-CG 4.45Å; L37-R58 CarbonylContact O-C 3.54Å; L37-R58 WeakPolarHBondContact O-CA 3.49Å; L37-G59 PolarHBondContact N-O 2.83Å; L37-G59 PolarHBondContact O-N 3.47Å; L37-D123 HydrophobicContact CD2-CB 4Å; L37-D123 WeakPolarHBondContact CD2-OD1 3.3Å; L37-D123 WeakPolarHBondContact CD2-OD2 3.48Å
38N98.6Very high98.1Very high3 Ų352 Ų522%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-125.1136.8-178.9-44.5-110.6000110.2L36 Y40 I57 R58 S121 T122 F124L36-N38 PolarHBondContact O-ND2 3.1Å; N38-Y40 HydrophobicContact CB-CD2 4.48Å; N38-Y40 HydrophobicContact CB-CE2 4.02Å; N38-I57 VanDerWaalsContact CA-O 3.29Å; N38-I57 WeakPolarHBondContact CA-O 3.26Å; N38-R58 WeakPolarHBondContact OD1-CB 3.41Å; N38-R58 WeakPolarHBondContact OD1-CG 3.37Å; N38-R58 PolarHBondContact OD1-NE 3.2Å; N38-S121 CarbonylContact O-C 3.56Å; N38-S121 WeakPolarHBondContact O-CA 3.18Å; N38-S121 VanDerWaalsContact O-CB 3.28Å; N38-S121 WeakPolarHBondContact O-CB 3.41Å; N38-T122 VanDerWaalsContact CB-OG1 3.29Å; N38-T122 WeakPolarHBondContact CB-OG1 3.38Å; N38-T122 PolarHBondContact N-O 2.87Å; N38-T122 PolarHBondContact ND2-O 3.09Å; N38-T122 PolarHBondContact ND2-OG1 3.1Å; N38-T122 VanDerWaalsContact ND2-OG1 3.14Å; N38-T122 PolarHBondContact O-N 2.78Å; N38-F124 WeakPolarHBondContact ND2-CE1 3.33Å
39I98.6Very high98.2Very high75 Ų7555.5 Ų55.539%0.38528%0.281SS..EExtended strand (participates in β ladder)trans-116.9125.4170.1-62.4177000107.7Y41 R56 I57 P118I39-Y41 HydrophobicContact CB-CE2 4.23Å; I39-Y41 HydrophobicContact CG2-CD2 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.83Å; I39-R56 CarbonylContact O-C 3.51Å; I39-R56 WeakPolarHBondContact O-CA 3.33Å; I39-R56 WeakPolarHBondContact O-CB 3.13Å; I39-I57 PolarHBondContact N-O 2.98Å; I39-I57 PolarHBondContact O-N 3.09Å; I39-P118 HydrophobicContact CG2-CB 3.74Å; I39-P118 HydrophobicContact CG2-CG 4.31Å
40Y98.8Very high98.2Very high13 Ų1353 Ų535%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-99.8139.1175.7-74.1-104.8000110.5N38 L55 R56 L119 F120 T122 A192N38-Y40 HydrophobicContact CB-CD2 4.48Å; N38-Y40 HydrophobicContact CB-CE2 4.02Å; Y40-L55 VanDerWaalsContact CA-O 3.31Å; Y40-L55 WeakPolarHBondContact CA-O 3.42Å; Y40-R56 HydrophobicContact CD1-CB 3.85Å; Y40-R56 HydrophobicContact CD2-CB 4.07Å; Y40-R56 HydrophobicContact CE1-CB 3.82Å; Y40-R56 HydrophobicContact CE1-CG 4.34Å; Y40-R56 HydrophobicContact CE2-CB 4.05Å; Y40-R56 HydrophobicContact CG-CB 3.98Å; Y40-R56 PolarHBondContact OH-NH1 3.15Å; Y40-L119 PolarHBondContact O-N 2.95Å; Y40-F120 VanDerWaalsContact CB-CE2 3.45Å; Y40-F120 AromaticContact CD1-CE2 3.87Å; Y40-F120 HydrophobicContact CD1-CE2 3.87Å; Y40-F120 AromaticContact CD1-CZ 3.63Å; Y40-F120 HydrophobicContact CD1-CZ 3.63Å; Y40-F120 AromaticContact CD2-CD2 3.85Å; Y40-F120 HydrophobicContact CD2-CD2 3.85Å; Y40-F120 AromaticContact CD2-CE2 3.26Å; Y40-F120 HydrophobicContact CD2-CE2 3.26Å; Y40-F120 AromaticContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CE1-CE2 4.42Å; Y40-F120 HydrophobicContact CE1-CZ 4.38Å; Y40-F120 AromaticContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CG-CD2 4.02Å; Y40-F120 HydrophobicContact CG-CE1 4.19Å; Y40-F120 AromaticContact CG-CE2 3.24Å; Y40-F120 HydrophobicContact CG-CE2 3.24Å; Y40-F120 AromaticContact CG-CZ 3.33Å; Y40-F120 HydrophobicContact CG-CZ 3.33Å; Y40-F120 PolarHBondContact N-O 3.41Å; Y40-T122 HydrophobicContact CE2-CG2 4.01Å; Y40-A192 HydrophobicContact CD1-CB 4.19Å; Y40-A192 HydrophobicContact CE1-CB 3.74Å
41Y98.7Very high98.1Very high32 Ų3253 Ų5313%0.12529%0.287CS..EExtended strand (participates in β ladder)trans-111.1142.5-175.4-66.5-98.9000110.4I39 L48 L55 I57 L93 Q117 P118I39-Y41 HydrophobicContact CB-CE2 4.23Å; I39-Y41 HydrophobicContact CG2-CD2 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.83Å; Y41-L48 VanDerWaalsContact O-CD1 3.31Å; Y41-L48 WeakPolarHBondContact O-CD1 3.4Å; Y41-L55 PolarHBondContact N-O 3.13Å; Y41-I57 HydrophobicContact CE2-CB 4.32Å; Y41-I57 HydrophobicContact CE2-CD1 4.08Å; Y41-I57 HydrophobicContact CE2-CG1 3.94Å; Y41-L93 HydrophobicContact CD1-CD1 3.59Å; Y41-L93 HydrophobicContact CD1-CG 4.43Å; Y41-L93 HydrophobicContact CD2-CD1 3.84Å; Y41-L93 HydrophobicContact CD2-CD2 4.09Å; Y41-L93 HydrophobicContact CD2-CG 4.17Å; Y41-L93 HydrophobicContact CE1-CD1 3.91Å; Y41-L93 HydrophobicContact CE1-CG 4.33Å; Y41-L93 HydrophobicContact CE2-CD1 4.16Å; Y41-L93 HydrophobicContact CE2-CD2 4.15Å; Y41-L93 HydrophobicContact CE2-CG 4.08Å; Y41-L93 HydrophobicContact CG-CD1 3.55Å; Y41-L93 HydrophobicContact CG-CG 4.35Å; Y41-Q117 WeakPolarHBondContact CA-O 3.47Å; Y41-P118 HydrophobicContact CD1-CG 4.38Å; Y41-P118 HydrophobicContact CE1-CG 3.94Å
42E98.6Very high98Very high3 Ų353.8 Ų53.81%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-152.2157.7178.6-174.657.6-80.500110.9W47 L48 R49 V116 Q117 L119 Y196E42-W47 PolarHBondContact OE1-N 2.92Å; E42-L48 WeakPolarHBondContact OE1-CB 3.41Å; E42-L48 PolarHBondContact OE1-N 3.26Å; E42-L48 WeakPolarHBondContact OE2-CB 3.29Å; E42-L48 PolarHBondContact OE2-N 3.09Å; E42-R49 WeakPolarHBondContact OE2-CB 3.24Å; E42-R49 PolarHBondContact OE2-N 2.97Å; E42-V116 WeakPolarHBondContact O-CA 3.46Å; E42-Q117 PolarHBondContact N-O 3.37Å; E42-Q117 PolarHBondContact O-N 3.03Å; E42-L119 HydrophobicContact CB-CB 3.97Å; E42-L119 HydrophobicContact CB-CD2 3.6Å; E42-L119 HydrophobicContact CB-CG 4.33Å; E42-L119 HydrophobicContact CG-CD2 3.89Å; E42-Y196 HydrophobicContact CB-CE1 4.07Å; E42-Y196 HydrophobicContact CG-CE1 3.77Å; E42-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E42-Y196 VanDerWaalsContact OE2-CZ 3.24Å; E42-Y196 PolarHBondContact OE2-OH 3.5Å
43T98.3Very high98Very high3 Ų348.5 Ų48.52%0.01827%0.265CS..  trans-85.2158.1171.863.30000112.3D45 N46 W47 L112 R115 V116T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 3.27Å; T43-D45 VanDerWaalsContact O-N 3.08Å; T43-D45 PolarHBondContact OG1-OD1 3.34Å; T43-N46 PolarHBondContact O-N 3.48Å; T43-W47 HydrophobicContact CG2-CB 4.21Å; T43-W47 WeakPolarHBondContact OG1-CB 3.42Å; T43-W47 PolarHBondContact OG1-N 3.15Å; T43-L112 HydrophobicContact CG2-CD1 3.41Å; T43-L112 VanDerWaalsContact CG2-CD1 3.41Å; T43-R115 HydrophobicContact CG2-CB 4.28Å; T43-V116 HydrophobicContact CG2-CG1 4.03Å
44P97.5Very high97.9Very high114 Ų11446 Ų4674%0.7425%0.25SS*.THydrogen-bonded Turntrans-57.6-24.4177.6-27.635.8000115.3R115P44-R115 WeakPolarHBondContact CD-O 3.31Å
45D97.7Very high97.9Very high93 Ų9344.5 Ų44.550%0.49724%0.241SC..THydrogen-bonded Turntrans-93.510.2177.364.5-33.5000113.8T43 W47T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 3.27Å; T43-D45 VanDerWaalsContact O-N 3.08Å; T43-D45 PolarHBondContact OG1-OD1 3.34Å; D45-W47 PolarHBondContact O-N 3.45Å
46N97.4Very high97.9Very high51 Ų5142.2 Ų42.227%0.27323%0.23SC..  trans57.941.4179.9-63.4-23.1000113.7T43 R49 G50 Q200T43-N46 PolarHBondContact O-N 3.48Å; N46-R49 HydrophobicContact CB-CB 4.29Å; N46-R49 PolarHBondContact O-N 2.92Å; N46-G50 PolarHBondContact O-N 3.45Å; N46-Q200 PolarHBondContact ND2-NE2 3.33Å
47W98Very high97.9Very high46 Ų4642.3 Ų42.317%0.17423%0.23CC..Hα-helixtrans-64.7-43.9-170.8-172.987.1000113.1E42 T43 D45 G50 H51 W103 P109 L112E42-W47 PolarHBondContact OE1-N 2.92Å; T43-W47 HydrophobicContact CG2-CB 4.21Å; T43-W47 WeakPolarHBondContact OG1-CB 3.42Å; T43-W47 PolarHBondContact OG1-N 3.15Å; D45-W47 PolarHBondContact O-N 3.45Å; W47-G50 PolarHBondContact O-N 3.15Å; W47-H51 AromaticContact CE2-CE1 3.5Å; W47-H51 AromaticContact CE2-ND1 3.9Å; W47-H51 AromaticContact CZ2-CE1 3.76Å; W47-H51 AromaticContact NE1-CE1 3.57Å; W47-H51 PolarHBondContact O-ND1 3.37Å; W47-W103 HydrophobicContact CH2-CE3 4.36Å; W47-W103 HydrophobicContact CZ3-CE3 4.38Å; W47-W103 HydrophobicContact CZ3-CZ3 4.46Å; W47-P109 HydrophobicContact CH2-CG 3.65Å; W47-P109 HydrophobicContact CZ2-CG 3.61Å; W47-P109 HydrophobicContact CZ3-CG 4.27Å; W47-L112 HydrophobicContact CE3-CD1 4.26Å; W47-L112 HydrophobicContact CZ3-CD2 4.24Å
48L98Very high97.9Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-67.2-44178.9-63.2167.2000110.6Y41 E42 G50 H51 D52 M53 L55 M68Y41-L48 VanDerWaalsContact O-CD1 3.31Å; Y41-L48 WeakPolarHBondContact O-CD1 3.4Å; E42-L48 WeakPolarHBondContact OE1-CB 3.41Å; E42-L48 PolarHBondContact OE1-N 3.26Å; E42-L48 WeakPolarHBondContact OE2-CB 3.29Å; E42-L48 PolarHBondContact OE2-N 3.09Å; L48-G50 VanDerWaalsContact C-N 3.26Å; L48-G50 PolarHBondContact O-N 3.48Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 3.39Å; L48-D52 PolarHBondContact O-N 3.01Å; L48-M53 HydrophobicContact CB-CB 4.28Å; L48-M53 HydrophobicContact CD2-CB 4.34Å; L48-M53 HydrophobicContact CD2-CE 3.82Å; L48-M53 PolarHBondContact O-N 3.18Å; L48-L55 HydrophobicContact CD1-CB 3.84Å; L48-L55 HydrophobicContact CD1-CD2 4.42Å; L48-M68 HydrophobicContact CD2-CE 4.11Å
49R97.4Very high97.9Very high100 Ų10040.6 Ų40.638%0.37722%0.22SC..Hα-helixtrans-58.3-38.6175.9179.256.5-174.5143.310.3112.4E42 N46 H51 D52 Y196E42-R49 WeakPolarHBondContact OE2-CB 3.24Å; E42-R49 PolarHBondContact OE2-N 2.97Å; N46-R49 HydrophobicContact CB-CB 4.29Å; N46-R49 PolarHBondContact O-N 2.92Å; R49-H51 PolarHBondContact O-N 3.1Å; R49-D52 IonicContact CZ-OD1 3.55Å; R49-D52 IonicContact NH1-OD1 3.33Å; R49-D52 PolarHBondContact NH1-OD1 2.96Å; R49-D52 IonicContact NH2-OD1 3.57Å; R49-D52 PolarHBondContact O-N 3.06Å; R49-Y196 HydrophobicContact CB-CD1 4Å; R49-Y196 HydrophobicContact CB-CD2 4.47Å; R49-Y196 HydrophobicContact CB-CE1 3.74Å; R49-Y196 HydrophobicContact CB-CE2 4.22Å; R49-Y196 HydrophobicContact CB-CG 4.36Å; R49-Y196 HydrophobicContact CG-CD1 4.18Å; R49-Y196 HydrophobicContact CG-CD2 4.36Å; R49-Y196 HydrophobicContact CG-CE1 4.41Å; R49-Y196 HydrophobicContact CG-CG 4.15Å
50G96.9Very high97.9Very high63 Ų6339.4 Ų39.465%0.64921%0.213SC*.Hα-helixtrans-60.9-20.9176.500000114.1N46 W47 L48N46-G50 PolarHBondContact O-N 3.45Å; W47-G50 PolarHBondContact O-N 3.15Å; L48-G50 VanDerWaalsContact C-N 3.26Å; L48-G50 PolarHBondContact O-N 3.48Å
51H96.9Very high97.7Very high69 Ų6945.4 Ų45.432%0.31925%0.246SC..THydrogen-bonded Turntrans-105.412.1175.8-61.891.8000112.9W47 L48 R49 M53 P104W47-H51 AromaticContact CE2-CE1 3.5Å; W47-H51 AromaticContact CE2-ND1 3.9Å; W47-H51 AromaticContact CZ2-CE1 3.76Å; W47-H51 AromaticContact NE1-CE1 3.57Å; W47-H51 PolarHBondContact O-ND1 3.37Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 3.39Å; R49-H51 PolarHBondContact O-N 3.1Å; H51-M53 HydrophobicContact CB-CG 3.83Å; H51-M53 HydrophobicContact CB-SD 3.7Å; H51-M53 PolarHBondContact O-N 3.46Å; H51-P104 WeakPolarHBondContact CD2-CG 3.1Å
52D96.7Very high97.4Very high95 Ų9546.4 Ų46.451%0.50827%0.266SS..THydrogen-bonded Turntrans5135.3-171.7-74.8-51.8000113.2L48 R49 V70 A71L48-D52 PolarHBondContact O-N 3.01Å; R49-D52 IonicContact CZ-OD1 3.55Å; R49-D52 IonicContact NH1-OD1 3.33Å; R49-D52 PolarHBondContact NH1-OD1 2.96Å; R49-D52 IonicContact NH2-OD1 3.57Å; R49-D52 PolarHBondContact O-N 3.06Å; D52-V70 CarbonylContact O-C 3.53Å; D52-A71 HydrophobicContact CB-CB 4.15Å; D52-A71 PolarHBondContact O-N 3.37Å
53M96.8Very high97.4Very high9 Ų954.3 Ų54.34%0.04430%0.296CS..  trans-100.1155176-62.7171.750.800111.1L48 H51 M68 K69 V70 V102 W103 Y196L48-M53 HydrophobicContact CB-CB 4.28Å; L48-M53 HydrophobicContact CD2-CB 4.34Å; L48-M53 HydrophobicContact CD2-CE 3.82Å; L48-M53 PolarHBondContact O-N 3.18Å; H51-M53 HydrophobicContact CB-CG 3.83Å; H51-M53 HydrophobicContact CB-SD 3.7Å; H51-M53 PolarHBondContact O-N 3.46Å; M53-M68 HydrophobicContact CB-SD 4.3Å; M53-M68 HydrophobicContact CE-CE 3.79Å; M53-M68 HydrophobicContact CE-CG 4.37Å; M53-M68 HydrophobicContact CE-SD 3.67Å; M53-K69 CarbonylContact C-O 3.59Å; M53-K69 VanDerWaalsContact CA-O 3.23Å; M53-K69 WeakPolarHBondContact CA-O 3.26Å; M53-V70 HydrophobicContact CE-CG1 4.19Å; M53-V70 HydrophobicContact CG-CB 4.07Å; M53-V70 HydrophobicContact CG-CG1 4.01Å; M53-V70 HydrophobicContact SD-CG1 4.4Å; M53-V102 HydrophobicContact CE-CG1 3.86Å; M53-W103 HydrophobicContact CE-CE3 4.15Å; M53-W103 HydrophobicContact CE-CZ3 4.03Å; M53-Y196 PolarHBondContact O-OH 3.32Å
54G97.5Very high97.4Very high9 Ų957.8 Ų57.89%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-142122.9174.600000111.5K69G54-K69 PolarHBondContact N-O 3.17Å; G54-K69 PolarHBondContact O-N 3.31Å
55L98.5Very high97.4Very high0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-109.2126.2177.6176.861.2000110Y40 Y41 L48 M66 M68 L93 L95Y40-L55 VanDerWaalsContact CA-O 3.31Å; Y40-L55 WeakPolarHBondContact CA-O 3.42Å; Y41-L55 PolarHBondContact N-O 3.13Å; L48-L55 HydrophobicContact CD1-CB 3.84Å; L48-L55 HydrophobicContact CD1-CD2 4.42Å; L55-M66 HydrophobicContact CD1-CG 3.8Å; L55-M66 HydrophobicContact CD1-SD 4.09Å; L55-M68 HydrophobicContact CB-CE 3.83Å; L55-M68 HydrophobicContact CB-SD 4.08Å; L55-M68 HydrophobicContact CD1-CE 3.96Å; L55-M68 HydrophobicContact CD2-CE 4.33Å; L55-M68 HydrophobicContact CG-CE 4.25Å; L55-L93 HydrophobicContact CD1-CD2 3.95Å; L55-L93 HydrophobicContact CD2-CD1 3.85Å; L55-L93 HydrophobicContact CD2-CD2 3.96Å; L55-L93 HydrophobicContact CG-CD2 3.98Å; L55-L95 HydrophobicContact CD1-CD2 4.43Å; L55-L95 HydrophobicContact CD2-CD2 3.65Å
56R98.6Very high97.5Very high18 Ų1850.8 Ų50.87%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-135.2157.4175.268.6177.9-178.1-152-3112.6I39 Y40 R58 M66 T67I39-R56 CarbonylContact O-C 3.51Å; I39-R56 WeakPolarHBondContact O-CA 3.33Å; I39-R56 WeakPolarHBondContact O-CB 3.13Å; Y40-R56 HydrophobicContact CD1-CB 3.85Å; Y40-R56 HydrophobicContact CD2-CB 4.07Å; Y40-R56 HydrophobicContact CE1-CB 3.82Å; Y40-R56 HydrophobicContact CE1-CG 4.34Å; Y40-R56 HydrophobicContact CE2-CB 4.05Å; Y40-R56 HydrophobicContact CG-CB 3.98Å; Y40-R56 PolarHBondContact OH-NH1 3.15Å; R56-R58 VanDerWaalsContact NH2-CZ 3.26Å; R56-R58 VanDerWaalsContact NH2-NH2 3.16Å; R56-M66 WeakPolarHBondContact O-CA 3.45Å; R56-T67 PolarHBondContact N-O 2.91Å; R56-T67 PolarHBondContact NE-OG1 3.37Å; R56-T67 PolarHBondContact NH2-OG1 3.03Å; R56-T67 PolarHBondContact O-N 2.92Å
57I98.7Very high97.5Very high7 Ų748.4 Ų48.44%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-105.5125.8153-63.9179.8000107.5N38 I39 Y41 Y64 E65 L88 P91 L93N38-I57 VanDerWaalsContact CA-O 3.29Å; N38-I57 WeakPolarHBondContact CA-O 3.26Å; I39-I57 PolarHBondContact N-O 2.98Å; I39-I57 PolarHBondContact O-N 3.09Å; Y41-I57 HydrophobicContact CE2-CB 4.32Å; Y41-I57 HydrophobicContact CE2-CD1 4.08Å; Y41-I57 HydrophobicContact CE2-CG1 3.94Å; I57-Y64 HydrophobicContact CG2-CD1 4.2Å; I57-E65 CarbonylContact C-O 3.57Å; I57-E65 WeakPolarHBondContact CA-O 3.38Å; I57-L88 HydrophobicContact CD1-CD1 3.9Å; I57-L88 HydrophobicContact CG1-CD1 4.01Å; I57-L88 HydrophobicContact CG2-CD1 4.33Å; I57-P91 VanDerWaalsContact CD1-C 3.49Å; I57-P91 HydrophobicContact CG2-CB 4.19Å; I57-L93 HydrophobicContact CD1-CD2 3.9Å; I57-L93 HydrophobicContact CD1-CG 4.04Å; I57-L93 HydrophobicContact CG1-CD2 3.72Å; I57-L93 HydrophobicContact CG1-CG 4.38Å
58R98.6Very high97.5Very high43 Ų4346.2 Ų46.216%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-99.6134.1170.6175-178.9-75.1175.8-16.6109L37 N38 R56 Y64 E65L37-R58 CarbonylContact O-C 3.54Å; L37-R58 WeakPolarHBondContact O-CA 3.49Å; N38-R58 WeakPolarHBondContact OD1-CB 3.41Å; N38-R58 WeakPolarHBondContact OD1-CG 3.37Å; N38-R58 PolarHBondContact OD1-NE 3.2Å; R56-R58 VanDerWaalsContact NH2-CZ 3.26Å; R56-R58 VanDerWaalsContact NH2-NH2 3.16Å; R58-Y64 CarbonylContact O-C 3.59Å; R58-Y64 VanDerWaalsContact O-CA 3.27Å; R58-Y64 WeakPolarHBondContact O-CA 3.46Å; R58-E65 PolarHBondContact N-O 3.09Å; R58-E65 IonicContact NH1-OE2 3.73Å; R58-E65 PolarHBondContact O-N 3.41Å
59G98.3Very high97.5Very high9 Ų947.7 Ų47.79%0.09325%0.249CC..EExtended strand (participates in β ladder)trans-114.1130.517100000110.7L37 R63L37-G59 PolarHBondContact N-O 2.83Å; L37-G59 PolarHBondContact O-N 3.47Å; G59-R63 CarbonylContact C-O 3.56Å; G59-R63 WeakPolarHBondContact CA-O 3.48Å
60E97.5Very high97.4Very high51 Ų5143.6 Ų43.624%0.23824%0.235CC..EExtended strand (participates in β ladder)trans-134.3105.7173.9-175.8-166.2128.300108.6L36 G62 R63L36-E60 HydrophobicContact CD2-CB 3.87Å; L36-E60 HydrophobicContact CD2-CG 3.8Å; E60-G62 PolarHBondContact O-N 2.86Å; E60-G62 VanDerWaalsContact O-N 3.15Å; E60-R63 PolarHBondContact N-O 2.77Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.08Å; E60-R63 IonicContact OE1-CZ 2.96Å; E60-R63 IonicContact OE1-NH2 3.67Å; E60-R63 PolarHBondContact OE1-NH2 3.21Å
61N94.5Very high97.3Very high138 Ų13843.3 Ų43.374%0.73823%0.227SC*.THydrogen-bonded Turntrans48.542.8179.7-67.5-32.8000114.2R63N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.07Å
62G94Very high97.2Very high53 Ų5342.4 Ų42.455%0.54624%0.236SC..THydrogen-bonded Turntrans82.51.7179.400000115.3E60 Y64E60-G62 PolarHBondContact O-N 2.86Å; E60-G62 VanDerWaalsContact O-N 3.15Å; G62-Y64 WeakPolarHBondContact O-CE2 3.4Å
63R97.5Very high97.1Very high169 Ų16942 Ų4264%0.63823%0.227SC*.EExtended strand (participates in β ladder)trans-92.1138.1166.8-58.4-172.9-67.8-162.11.5109.4G59 E60 N61G59-R63 CarbonylContact C-O 3.56Å; G59-R63 WeakPolarHBondContact CA-O 3.48Å; E60-R63 PolarHBondContact N-O 2.77Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.08Å; E60-R63 IonicContact OE1-CZ 2.96Å; E60-R63 IonicContact OE1-NH2 3.67Å; E60-R63 PolarHBondContact OE1-NH2 3.21Å; N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.07Å
64Y98.4Very high97Very high76 Ų7644.4 Ų44.430%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-121.2142.6-175.7-58.9-75.1000112I57 R58 G62 L88 P91I57-Y64 HydrophobicContact CG2-CD1 4.2Å; R58-Y64 CarbonylContact O-C 3.59Å; R58-Y64 VanDerWaalsContact O-CA 3.27Å; R58-Y64 WeakPolarHBondContact O-CA 3.46Å; G62-Y64 WeakPolarHBondContact O-CE2 3.4Å; Y64-L88 PolarHBondContact O-N 3.3Å; Y64-P91 HydrophobicContact CD1-CB 3.78Å; Y64-P91 HydrophobicContact CD1-CG 4.47Å; Y64-P91 HydrophobicContact CE1-CB 3.72Å; Y64-P91 HydrophobicContact CE1-CG 4.02Å; Y64-P91 HydrophobicContact CE2-CG 4.37Å; Y64-P91 HydrophobicContact CG-CB 4.25Å
65E98.6Very high96.9Very high60 Ų6044.1 Ų44.128%0.2824%0.239SC..EExtended strand (participates in β ladder)trans-137.4129.1177177-178.4-110.900109.2I57 R58 N85 V86I57-E65 CarbonylContact C-O 3.57Å; I57-E65 WeakPolarHBondContact CA-O 3.38Å; R58-E65 PolarHBondContact N-O 3.09Å; R58-E65 IonicContact NH1-OE2 3.73Å; R58-E65 PolarHBondContact O-N 3.41Å; E65-N85 HydrophobicContact CG-CB 4.26Å; E65-V86 CarbonylContact C-O 3.55Å; E65-V86 WeakPolarHBondContact CA-O 3.47Å
66M98.5Very high96.6Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-89.5124.7166.5-175.2178.663.300109L55 R56 N85 V86 L88 L93 D94 L95 L98L55-M66 HydrophobicContact CD1-CG 3.8Å; L55-M66 HydrophobicContact CD1-SD 4.09Å; R56-M66 WeakPolarHBondContact O-CA 3.45Å; M66-N85 CarbonylContact O-C 3.6Å; M66-N85 WeakPolarHBondContact O-CA 3.31Å; M66-V86 HydrophobicContact CB-CB 4.38Å; M66-V86 HydrophobicContact CE-CB 4Å; M66-V86 HydrophobicContact CE-CG1 4.44Å; M66-V86 HydrophobicContact CE-CG2 3.99Å; M66-V86 PolarHBondContact N-O 3.26Å; M66-V86 PolarHBondContact O-N 2.95Å; M66-L88 HydrophobicContact CB-CD1 3.8Å; M66-L88 HydrophobicContact CB-CD2 4.3Å; M66-L88 HydrophobicContact CB-CG 4.04Å; M66-L93 HydrophobicContact CG-CD2 3.94Å; M66-L93 HydrophobicContact SD-CD2 3.68Å; M66-D94 VanDerWaalsContact CE-O 3.26Å; M66-D94 WeakPolarHBondContact CE-O 3.35Å; M66-L95 HydrophobicContact SD-CD2 4.24Å; M66-L98 HydrophobicContact CE-CD1 4.26Å; M66-L98 HydrophobicContact CE-CD2 3.9Å; M66-L98 HydrophobicContact CE-CG 3.8Å
67T98.4Very high96.4Very high1 Ų143.5 Ų43.51%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-117.3131.3174.2-51.60000109.4R56 K69 Y84 N85R56-T67 PolarHBondContact N-O 2.91Å; R56-T67 PolarHBondContact NE-OG1 3.37Å; R56-T67 PolarHBondContact NH2-OG1 3.03Å; R56-T67 PolarHBondContact O-N 2.92Å; T67-K69 HydrophobicContact CG2-CG 3.93Å; T67-Y84 WeakPolarHBondContact CA-O 3.11Å; T67-N85 WeakPolarHBondContact CB-OD1 3.41Å; T67-N85 WeakPolarHBondContact CG2-OD1 3.37Å; T67-N85 PolarHBondContact OG1-OD1 3.09Å
68M97.9Very high96.4Very high1 Ų143.1 Ų43.11%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-111123.2162.7-178.865.782.700109.4L48 M53 L55 V70 E83 Y84 L98 V102 W103L48-M68 HydrophobicContact CD2-CE 4.11Å; M53-M68 HydrophobicContact CB-SD 4.3Å; M53-M68 HydrophobicContact CE-CE 3.79Å; M53-M68 HydrophobicContact CE-CG 4.37Å; M53-M68 HydrophobicContact CE-SD 3.67Å; L55-M68 HydrophobicContact CB-CE 3.83Å; L55-M68 HydrophobicContact CB-SD 4.08Å; L55-M68 HydrophobicContact CD1-CE 3.96Å; L55-M68 HydrophobicContact CD2-CE 4.33Å; L55-M68 HydrophobicContact CG-CE 4.25Å; M68-V70 HydrophobicContact CG-CG1 4.1Å; M68-E83 CarbonylContact O-C 3.57Å; M68-E83 VanDerWaalsContact O-CA 3.27Å; M68-E83 WeakPolarHBondContact O-CA 3.46Å; M68-Y84 PolarHBondContact N-O 2.99Å; M68-Y84 PolarHBondContact O-N 3.4Å; M68-L98 HydrophobicContact CB-CD1 4.01Å; M68-L98 HydrophobicContact CB-CD2 3.96Å; M68-L98 HydrophobicContact CE-CD1 3.94Å; M68-L98 HydrophobicContact CG-CD1 4.44Å; M68-V102 HydrophobicContact CE-CG1 4.19Å; M68-V102 HydrophobicContact CG-CG1 3.61Å; M68-V102 HydrophobicContact SD-CG1 4.48Å; M68-W103 HydrophobicContact CE-CH2 3.82Å; M68-W103 HydrophobicContact CE-CZ3 3.85Å
69K97.3Very high96.3Very high31 Ų3141.1 Ų41.114%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-108.2137.1167.8-57.5-167.5176.1-165.20108.7E4 M53 G54 T67 E83E4-K69 IonicContact OE1-NZ 2.72Å; E4-K69 PolarHBondContact OE1-NZ 3.16Å; E4-K69 WeakPolarHBondContact OE2-CE 3.15Å; E4-K69 IonicContact OE2-NZ 3.74Å; E4-K69 PolarHBondContact OE2-NZ 3.17Å; M53-K69 CarbonylContact C-O 3.59Å; M53-K69 VanDerWaalsContact CA-O 3.23Å; M53-K69 WeakPolarHBondContact CA-O 3.26Å; G54-K69 PolarHBondContact N-O 3.17Å; G54-K69 PolarHBondContact O-N 3.31Å; T67-K69 HydrophobicContact CG2-CG 3.93Å; K69-E83 WeakPolarHBondContact CE-OE2 3.3Å; K69-E83 HydrophobicContact CG-CB 4.06Å; K69-E83 IonicContact NZ-OE2 3.47Å
70V95.9Very high96.3Very high14 Ų1443.1 Ų43.19%0.08524%0.235CC..  trans-114.4175.4-179.8-55.60000111.9M1 D52 M53 M68 G72 P82 V102M1-V70 HydrophobicContact CE-CG2 3.98Å; M1-V70 HydrophobicContact SD-CG1 4.41Å; M1-V70 HydrophobicContact SD-CG2 4.09Å; D52-V70 CarbonylContact O-C 3.53Å; M53-V70 HydrophobicContact CE-CG1 4.19Å; M53-V70 HydrophobicContact CG-CB 4.07Å; M53-V70 HydrophobicContact CG-CG1 4.01Å; M53-V70 HydrophobicContact SD-CG1 4.4Å; M68-V70 HydrophobicContact CG-CG1 4.1Å; V70-G72 PolarHBondContact O-N 3.09Å; V70-P82 HydrophobicContact CG2-CB 3.59Å; V70-P82 HydrophobicContact CG2-CG 3.58Å; V70-P82 PolarHBondContact N-O 3.11Å; V70-V102 HydrophobicContact CG1-CG1 4.22Å
71A94.5Very high96.1Very high57 Ų5742.8 Ų42.847%0.47123%0.231SC..SBendtrans-49.7132.1177.500000111.2D52 P82D52-A71 HydrophobicContact CB-CB 4.15Å; D52-A71 PolarHBondContact O-N 3.37Å; A71-P82 WeakPolarHBondContact O-CD 3.41Å
72G94.2Very high96.2Very high49 Ų4937 Ų3751%0.50520%0.202SC..  trans-147.7-157.7-17900000110.1V70 Q80V70-G72 PolarHBondContact O-N 3.09Å; G72-Q80 CarbonylContact C-O 3.58Å; G72-Q80 VanDerWaalsContact CA-O 3.29Å; G72-Q80 WeakPolarHBondContact CA-O 3.41Å
73R94.6Very high96.4Very high88 Ų8835.5 Ų35.533%0.33218%0.18SC..EExtended strand (participates in β ladder)trans-110.3139.7-179.3-173.8173.1163150.7-2.2110.1T75 Q80 E230R73-T75 PolarHBondContact NE-OG1 2.85Å; R73-T75 VanDerWaalsContact NE-OG1 3.1Å; R73-Q80 PolarHBondContact N-O 3.08Å; R73-Q80 PolarHBondContact O-N 3.13Å; R73-E230 IonicContact CZ-OE1 2.69Å; R73-E230 IonicContact NE-OE1 3.64Å; R73-E230 IonicContact NH1-OE1 3.09Å; R73-E230 PolarHBondContact NH1-OE1 3.03Å; R73-E230 VanDerWaalsContact NH1-OE1 3.1Å; R73-E230 VanDerWaalsContact NH2-CD 3.25Å; R73-E230 IonicContact NH2-OE1 2.66Å; R73-E230 PolarHBondContact NH2-OE1 3.41Å
74V94.8Very high96.4Very high59 Ų5931.6 Ų31.636%0.35817%0.166SC..EExtended strand (participates in β ladder)trans-123.1121.8169.8-176.80000107.7L78V74-L78 CarbonylContact C-O 3.56Å; V74-L78 WeakPolarHBondContact CA-O 3.4Å
75T94.9Very high96.3Very high3 Ų330.8 Ų30.82%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-129.8101.6179.2-590000108.8R73 G77 L78 L233 L317 V318R73-T75 PolarHBondContact NE-OG1 2.85Å; R73-T75 VanDerWaalsContact NE-OG1 3.1Å; T75-G77 PolarHBondContact O-N 2.8Å; T75-L78 PolarHBondContact N-O 3.15Å; T75-L78 WeakPolarHBondContact O-CB 3.3Å; T75-L78 PolarHBondContact O-N 2.93Å; T75-L233 HydrophobicContact CG2-CD2 3.85Å; T75-L317 HydrophobicContact CG2-CD2 3.53Å; T75-L317 HydrophobicContact CG2-CG 4.13Å; T75-V318 HydrophobicContact CG2-CG2 3.95Å
76G93.8Very high96.3Very high4 Ų428.4 Ų28.44%0.04116%0.157CC..THydrogen-bonded Turntrans67.9-123.4-169.800000110.2S188 Q237G76-S188 PolarHBondContact O-OG 3.05Å; G76-Q237 PolarHBondContact O-NE2 3.07Å
77G94.6Very high96.3Very high0 Ų032.5 Ų32.50%019%0.19CC..THydrogen-bonded Turntrans-90.4-3.3170.100000114L7 K8 T75 H79L7-G77 WeakPolarHBondContact CA-O 3.49Å; K8-G77 PolarHBondContact N-O 3.29Å; T75-G77 PolarHBondContact O-N 2.8Å; G77-H79 PolarHBondContact O-CD2 3.3Å; G77-H79 PolarHBondContact O-N 2.78Å
78L97.5Very high96.3Very high0 Ų033.6 Ų33.60%020%0.196CC..EExtended strand (participates in β ladder)trans-81.7111-176.9-170.274.6000109.7I5 E6 L7 V74 T75 Q80 T168 V318I5-L78 HydrophobicContact CG2-CD1 4.05Å; E6-L78 CarbonylContact O-C 3.57Å; E6-L78 WeakPolarHBondContact O-CA 3.41Å; L7-L78 HydrophobicContact CB-CD1 4.11Å; L7-L78 HydrophobicContact CD1-CB 4.32Å; V74-L78 CarbonylContact C-O 3.56Å; V74-L78 WeakPolarHBondContact CA-O 3.4Å; T75-L78 PolarHBondContact N-O 3.15Å; T75-L78 WeakPolarHBondContact O-CB 3.3Å; T75-L78 PolarHBondContact O-N 2.93Å; L78-Q80 HydrophobicContact CD2-CG 4.36Å; L78-Q80 HydrophobicContact CG-CG 4.29Å; L78-T168 HydrophobicContact CD1-CG2 4.17Å; L78-T168 HydrophobicContact CD2-CG2 3.85Å; L78-V318 HydrophobicContact CD2-CG1 3.94Å; L78-V318 HydrophobicContact CD2-CG2 3.82Å
79H97.4Very high96.2Very high0 Ų038.7 Ų38.70%023%0.232CC..EExtended strand (participates in β ladder)trans-95.7129.8172.2-61.6-97.8000109.5I5 E6 K8 G77 G187 S188I5-H79 WeakPolarHBondContact CA-O 3.37Å; E6-H79 HydrophobicContact CG-CB 3.79Å; E6-H79 PolarHBondContact N-O 3.2Å; E6-H79 PolarHBondContact O-N 3.24Å; E6-H79 IonicContact OE1-CD2 3.14Å; E6-H79 IonicContact OE1-CG 3.03Å; K8-H79 WeakPolarHBondContact CE-NE2 3.44Å; G77-H79 PolarHBondContact O-CD2 3.3Å; G77-H79 PolarHBondContact O-N 2.78Å; H79-G187 PolarHBondContact NE2-O 2.99Å; H79-S188 PolarHBondContact CE1-O 3.17Å
80Q96.8Very high96.2Very high51 Ų5142 Ų4224%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-127.9104.6173.6-59.6-176.2-96.100108.1E4 I5 G72 R73 L78E4-Q80 CarbonylContact O-C 3.51Å; E4-Q80 VanDerWaalsContact O-CA 3.28Å; E4-Q80 WeakPolarHBondContact O-CA 3.31Å; I5-Q80 HydrophobicContact CG1-CG 4.19Å; I5-Q80 HydrophobicContact CG2-CG 4.26Å; G72-Q80 CarbonylContact C-O 3.58Å; G72-Q80 VanDerWaalsContact CA-O 3.29Å; G72-Q80 WeakPolarHBondContact CA-O 3.41Å; R73-Q80 PolarHBondContact N-O 3.08Å; R73-Q80 PolarHBondContact O-N 3.13Å; L78-Q80 HydrophobicContact CD2-CG 4.36Å; L78-Q80 HydrophobicContact CG-CG 4.29Å
81R95.2Very high96.3Very high44 Ų4444.5 Ų44.517%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-131.9132.7-171.2-68.3178.8-179.7179.3-3.7110.6E4 E83 S190E4-R81 PolarHBondContact N-O 3.05Å; E4-R81 PolarHBondContact O-N 2.95Å; R81-E83 PolarHBondContact O-N 3.09Å; R81-S190 VanDerWaalsContact NH1-CB 3.26Å; R81-S190 PolarHBondContact NH1-OG 3.32Å; R81-S190 PolarHBondContact NH2-OG 3.37Å
82P96.3Very high96.4Very high18 Ų1845.9 Ų45.912%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-65.2136.7164.6-5.519.1000109.3M1 A2 V70 A71M1-P82 HydrophobicContact CB-CB 4.03Å; M1-P82 HydrophobicContact CE-CB 3.99Å; M1-P82 HydrophobicContact SD-CB 4.2Å; A2-P82 CarbonylContact O-C 3.6Å; A2-P82 VanDerWaalsContact O-CA 3.22Å; A2-P82 WeakPolarHBondContact O-CA 3.27Å; V70-P82 HydrophobicContact CG2-CB 3.59Å; V70-P82 HydrophobicContact CG2-CG 3.58Å; V70-P82 PolarHBondContact N-O 3.11Å; A71-P82 WeakPolarHBondContact O-CD 3.41Å
83E96.9Very high96.6Very high20 Ų2045.2 Ų45.29%0.09325%0.252CS..EExtended strand (participates in β ladder)trans-139.8161.4177.566.6162.3-142.500112.9A2 E4 M68 K69 R81 N85A2-E83 HydrophobicContact CB-CG 4.48Å; A2-E83 PolarHBondContact N-O 3.2Å; A2-E83 PolarHBondContact O-N 2.88Å; E4-E83 HydrophobicContact CB-CG 4.07Å; M68-E83 CarbonylContact O-C 3.57Å; M68-E83 VanDerWaalsContact O-CA 3.27Å; M68-E83 WeakPolarHBondContact O-CA 3.46Å; K69-E83 WeakPolarHBondContact CE-OE2 3.3Å; K69-E83 HydrophobicContact CG-CB 4.06Å; K69-E83 IonicContact NZ-OE2 3.47Å; R81-E83 PolarHBondContact O-N 3.09Å; E83-N85 PolarHBondContact OE1-ND2 3.37Å
84Y97.6Very high96.8Very high87 Ų8744.1 Ų44.134%0.34125%0.253SS..EExtended strand (participates in β ladder)trans-143.6125.8174.6-158.5-89.2000110T67 M68 V86 L98 P99T67-Y84 WeakPolarHBondContact CA-O 3.11Å; M68-Y84 PolarHBondContact N-O 2.99Å; M68-Y84 PolarHBondContact O-N 3.4Å; Y84-V86 HydrophobicContact CD1-CG2 3.75Å; Y84-V86 HydrophobicContact CE1-CG2 3.64Å; Y84-L98 HydrophobicContact CD1-CD2 3.82Å; Y84-L98 HydrophobicContact CG-CD2 4.46Å; Y84-P99 HydrophobicContact CD2-CG 3.76Å; Y84-P99 HydrophobicContact CE2-CG 3.83Å; Y84-P99 HydrophobicContact CG-CG 4.16Å
85N97.7Very high96.9Very high59 Ų5941.7 Ų41.732%0.31624%0.238SC..EExtended strand (participates in β ladder)trans-112136.4-178.2-62.2-61.6000109.9E65 M66 T67 E83E65-N85 HydrophobicContact CG-CB 4.26Å; M66-N85 CarbonylContact O-C 3.6Å; M66-N85 WeakPolarHBondContact O-CA 3.31Å; T67-N85 WeakPolarHBondContact CB-OD1 3.41Å; T67-N85 WeakPolarHBondContact CG2-OD1 3.37Å; T67-N85 PolarHBondContact OG1-OD1 3.09Å; E83-N85 PolarHBondContact OE1-ND2 3.37Å
86V98.1Very high96.9Very high10 Ų1045.7 Ų45.76%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-131.1121.9178.8179.70000108.6E65 M66 Y84 L88 Q97 L98E65-V86 CarbonylContact C-O 3.55Å; E65-V86 WeakPolarHBondContact CA-O 3.47Å; M66-V86 HydrophobicContact CB-CB 4.38Å; M66-V86 HydrophobicContact CE-CB 4Å; M66-V86 HydrophobicContact CE-CG1 4.44Å; M66-V86 HydrophobicContact CE-CG2 3.99Å; M66-V86 PolarHBondContact N-O 3.26Å; M66-V86 PolarHBondContact O-N 2.95Å; Y84-V86 HydrophobicContact CD1-CG2 3.75Å; Y84-V86 HydrophobicContact CE1-CG2 3.64Å; V86-L88 HydrophobicContact CG1-CD2 4.39Å; V86-Q97 HydrophobicContact CG1-CB 3.92Å; V86-Q97 HydrophobicContact CG1-CG 4.36Å; V86-Q97 VanDerWaalsContact CG1-OE1 3.28Å; V86-Q97 HydrophobicContact CG2-CB 4.12Å; V86-L98 HydrophobicContact CG2-CD2 4.3Å
87A98.1Very high97.1Very high86 Ų8649.9 Ų49.971%0.71129%0.289SS*.EExtended strand (participates in β ladder)trans-67.7134.2172.500000110.2
88L98.3Very high97.2Very high24 Ų2450.4 Ų50.413%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-115.8145.6178.2-61.5178.8000110.6I57 Y64 M66 V86 E90 T92 D94I57-L88 HydrophobicContact CD1-CD1 3.9Å; I57-L88 HydrophobicContact CG1-CD1 4.01Å; I57-L88 HydrophobicContact CG2-CD1 4.33Å; Y64-L88 PolarHBondContact O-N 3.3Å; M66-L88 HydrophobicContact CB-CD1 3.8Å; M66-L88 HydrophobicContact CB-CD2 4.3Å; M66-L88 HydrophobicContact CB-CG 4.04Å; V86-L88 HydrophobicContact CG1-CD2 4.39Å; L88-E90 WeakPolarHBondContact CB-O 3.33Å; L88-T92 WeakPolarHBondContact CD1-O 3.46Å; L88-D94 HydrophobicContact CD2-CB 4.39Å
89S96.8Very high97.1Very high108 Ų10852.1 Ų52.176%0.75530%0.303SS*.SBendtrans-79.6-25173.242.80000113.1
90E96.9Very high97.1Very high102 Ų10256.5 Ų56.548%0.47733%0.33SS..SBendtrans-148.3163.7178.766-91.7-168.500110.1L88 T92L88-E90 WeakPolarHBondContact CB-O 3.33Å; E90-T92 PolarHBondContact O-N 2.98Å
91P97.3Very high97Very high65 Ų6560.4 Ų60.442%0.42235%0.348SS..SBendtrans-79.557.6-174.733.1-35000112.9I57 Y64I57-P91 VanDerWaalsContact CD1-C 3.49Å; I57-P91 HydrophobicContact CG2-CB 4.19Å; Y64-P91 HydrophobicContact CD1-CB 3.78Å; Y64-P91 HydrophobicContact CD1-CG 4.47Å; Y64-P91 HydrophobicContact CE1-CB 3.72Å; Y64-P91 HydrophobicContact CE1-CG 4.02Å; Y64-P91 HydrophobicContact CE2-CG 4.37Å; Y64-P91 HydrophobicContact CG-CB 4.25Å
92T97.8Very high97Very high87 Ų8758.5 Ų58.553%0.53434%0.342SS..  trans-122131.8176.9-54.30000109.4L88 E90 D94L88-T92 WeakPolarHBondContact CD1-O 3.46Å; E90-T92 PolarHBondContact O-N 2.98Å; T92-D94 PolarHBondContact O-N 3.04Å
93L98Very high97Very high35 Ų3558.2 Ų58.218%0.18334%0.338CS..  trans-65.8131.7178-72174.5000110.8Y41 L55 I57 M66 L95 V116Y41-L93 HydrophobicContact CD1-CD1 3.59Å; Y41-L93 HydrophobicContact CD1-CG 4.43Å; Y41-L93 HydrophobicContact CD2-CD1 3.84Å; Y41-L93 HydrophobicContact CD2-CD2 4.09Å; Y41-L93 HydrophobicContact CD2-CG 4.17Å; Y41-L93 HydrophobicContact CE1-CD1 3.91Å; Y41-L93 HydrophobicContact CE1-CG 4.33Å; Y41-L93 HydrophobicContact CE2-CD1 4.16Å; Y41-L93 HydrophobicContact CE2-CD2 4.15Å; Y41-L93 HydrophobicContact CE2-CG 4.08Å; Y41-L93 HydrophobicContact CG-CD1 3.55Å; Y41-L93 HydrophobicContact CG-CG 4.35Å; L55-L93 HydrophobicContact CD1-CD2 3.95Å; L55-L93 HydrophobicContact CD2-CD1 3.85Å; L55-L93 HydrophobicContact CD2-CD2 3.96Å; L55-L93 HydrophobicContact CG-CD2 3.98Å; I57-L93 HydrophobicContact CD1-CD2 3.9Å; I57-L93 HydrophobicContact CD1-CG 4.04Å; I57-L93 HydrophobicContact CG1-CD2 3.72Å; I57-L93 HydrophobicContact CG1-CG 4.38Å; M66-L93 HydrophobicContact CG-CD2 3.94Å; M66-L93 HydrophobicContact SD-CD2 3.68Å; L93-L95 HydrophobicContact CB-CD2 4.2Å; L93-L95 HydrophobicContact CD1-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CD2 4.42Å; L93-V116 HydrophobicContact CD1-CG2 4.02Å
94D97.2Very high96.9Very high65 Ų6560.6 Ų60.635%0.34836%0.355SS..  trans-121.676.4170.9-173.11.6000110.1M66 L88 T92 A96 Q97M66-D94 VanDerWaalsContact CE-O 3.26Å; M66-D94 WeakPolarHBondContact CE-O 3.35Å; L88-D94 HydrophobicContact CD2-CB 4.39Å; T92-D94 PolarHBondContact O-N 3.04Å; D94-A96 PolarHBondContact O-N 3.44Å; D94-A96 VanDerWaalsContact O-N 3.08Å; D94-Q97 HydrophobicContact CB-CG 4.44Å; D94-Q97 PolarHBondContact O-N 3.28Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.28Å; D94-Q97 PolarHBondContact OD2-NE2 2.79Å
95L97.4Very high96.7Very high8 Ų863.3 Ų63.34%0.04238%0.376CS..G310 helixtrans-61.5-20.3-173.4-55.7-174.7000113.4L55 M66 L93 Q97 L98 L108 L112 A113L55-L95 HydrophobicContact CD1-CD2 4.43Å; L55-L95 HydrophobicContact CD2-CD2 3.65Å; M66-L95 HydrophobicContact SD-CD2 4.24Å; L93-L95 HydrophobicContact CB-CD2 4.2Å; L93-L95 HydrophobicContact CD1-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CD2 4.42Å; L95-Q97 PolarHBondContact O-N 2.84Å; L95-L98 HydrophobicContact CD2-CD1 4.45Å; L95-L98 PolarHBondContact O-N 2.8Å; L95-L108 HydrophobicContact CB-CD1 4.17Å; L95-L108 HydrophobicContact CB-CD2 3.79Å; L95-L108 HydrophobicContact CD1-CD1 3.93Å; L95-L112 HydrophobicContact CD1-CB 4.5Å; L95-L112 HydrophobicContact CD1-CD2 4.11Å; L95-L112 HydrophobicContact CD1-CG 4.1Å; L95-A113 HydrophobicContact CD1-CB 4.06Å
96A95.9Very high96.6Very high86 Ų8662.3 Ų62.371%0.71138%0.379SS*.G310 helixtrans-69.7-18.7178.900000113D94 L98D94-A96 PolarHBondContact O-N 3.44Å; D94-A96 VanDerWaalsContact O-N 3.08Å; A96-L98 VanDerWaalsContact C-N 3.32Å
97Q97.1Very high96.5Very high93 Ų9368.9 Ų68.944%0.43541%0.409SS..G310 helixtrans-80.1-11.7175.8-67.1-164.46500113.8V86 D94 L95V86-Q97 HydrophobicContact CG1-CB 3.92Å; V86-Q97 HydrophobicContact CG1-CG 4.36Å; V86-Q97 VanDerWaalsContact CG1-OE1 3.28Å; V86-Q97 HydrophobicContact CG2-CB 4.12Å; D94-Q97 HydrophobicContact CB-CG 4.44Å; D94-Q97 PolarHBondContact O-N 3.28Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.28Å; D94-Q97 PolarHBondContact OD2-NE2 2.79Å; L95-Q97 PolarHBondContact O-N 2.84Å
98L97Very high96.4Very high11 Ų1167.2 Ų67.26%0.05839%0.388CS..SBendtrans-78.7136.4175.3-64.3175.2000110.2M66 M68 Y84 V86 L95 A96 V102 W103M66-L98 HydrophobicContact CE-CD1 4.26Å; M66-L98 HydrophobicContact CE-CD2 3.9Å; M66-L98 HydrophobicContact CE-CG 3.8Å; M68-L98 HydrophobicContact CB-CD1 4.01Å; M68-L98 HydrophobicContact CB-CD2 3.96Å; M68-L98 HydrophobicContact CE-CD1 3.94Å; M68-L98 HydrophobicContact CG-CD1 4.44Å; Y84-L98 HydrophobicContact CD1-CD2 3.82Å; Y84-L98 HydrophobicContact CG-CD2 4.46Å; V86-L98 HydrophobicContact CG2-CD2 4.3Å; L95-L98 HydrophobicContact CD2-CD1 4.45Å; L95-L98 PolarHBondContact O-N 2.8Å; A96-L98 VanDerWaalsContact C-N 3.32Å; L98-V102 HydrophobicContact CB-CG2 4.36Å; L98-W103 HydrophobicContact CB-CZ2 3.96Å; L98-W103 HydrophobicContact CD1-CH2 3.78Å; L98-W103 HydrophobicContact CD1-CZ2 3.76Å; L98-W103 HydrophobicContact CG-CZ2 4.49Å
99P96.4Very high96.3Very high36 Ų3667.4 Ų67.423%0.23439%0.391CS..  trans-67.7155.1-179.928.4-33.6000111.3Y84 E101 V102Y84-P99 HydrophobicContact CD2-CG 3.76Å; Y84-P99 HydrophobicContact CE2-CG 3.83Å; Y84-P99 HydrophobicContact CG-CG 4.16Å; P99-E101 PolarHBondContact O-N 2.9Å; P99-E101 VanDerWaalsContact O-N 3.15Å; P99-V102 HydrophobicContact CG-CG2 3.99Å; P99-V102 WeakPolarHBondContact O-CB 3.25Å; P99-V102 PolarHBondContact O-N 2.84Å
100T96.3Very high96.2Very high92 Ų9267.6 Ų67.656%0.56440%0.399SS*.G310 helixtrans-58.3-30.2-17947.20000113.6V102 W103 G106T100-V102 PolarHBondContact O-N 3.44Å; T100-V102 VanDerWaalsContact O-N 3.15Å; T100-W103 PolarHBondContact O-N 3.02Å; T100-W103 VanDerWaalsContact O-N 3.07Å; T100-G106 VanDerWaalsContact CB-O 3.22Å; T100-G106 WeakPolarHBondContact CB-O 3.46Å; T100-G106 WeakPolarHBondContact CG2-O 3.25Å; T100-G106 WeakPolarHBondContact O-CA 3.45Å
101E95.2Very high96.2Very high132 Ų13265.9 Ų65.962%0.61739%0.393SS*.G310 helixtrans-59.4-20176.2-63.2175.8-173.800114.3M1 P99 W103M1-E101 HydrophobicContact CE-CB 4.32Å; M1-E101 PolarHBondContact N-OE2 2.88Å; P99-E101 PolarHBondContact O-N 2.9Å; P99-E101 VanDerWaalsContact O-N 3.15Å; E101-W103 PolarHBondContact O-N 3.11Å
102V95.8Very high96.2Very high5 Ų562.8 Ų62.83%0.0337%0.373CS..G310 helixtrans-66.2-31.4175.3166.30000111.3M1 M53 M68 V70 L98 P99 T100M1-V102 HydrophobicContact SD-CG2 3.78Å; M53-V102 HydrophobicContact CE-CG1 3.86Å; M68-V102 HydrophobicContact CE-CG1 4.19Å; M68-V102 HydrophobicContact CG-CG1 3.61Å; M68-V102 HydrophobicContact SD-CG1 4.48Å; V70-V102 HydrophobicContact CG1-CG1 4.22Å; L98-V102 HydrophobicContact CB-CG2 4.36Å; P99-V102 HydrophobicContact CG-CG2 3.99Å; P99-V102 WeakPolarHBondContact O-CB 3.25Å; P99-V102 PolarHBondContact O-N 2.84Å; T100-V102 PolarHBondContact O-N 3.44Å; T100-V102 VanDerWaalsContact O-N 3.15Å
103W96.4Very high96.1Very high12 Ų1261.9 Ų61.95%0.04537%0.374CS..SBendtrans-94.7134.4-169.2-46.8115.3000110.7W47 M53 M68 L98 T100 E101 N105 G106 E107 L108 L112W47-W103 HydrophobicContact CH2-CE3 4.36Å; W47-W103 HydrophobicContact CZ3-CE3 4.38Å; W47-W103 HydrophobicContact CZ3-CZ3 4.46Å; M53-W103 HydrophobicContact CE-CE3 4.15Å; M53-W103 HydrophobicContact CE-CZ3 4.03Å; M68-W103 HydrophobicContact CE-CH2 3.82Å; M68-W103 HydrophobicContact CE-CZ3 3.85Å; L98-W103 HydrophobicContact CB-CZ2 3.96Å; L98-W103 HydrophobicContact CD1-CH2 3.78Å; L98-W103 HydrophobicContact CD1-CZ2 3.76Å; L98-W103 HydrophobicContact CG-CZ2 4.49Å; T100-W103 PolarHBondContact O-N 3.02Å; T100-W103 VanDerWaalsContact O-N 3.07Å; E101-W103 PolarHBondContact O-N 3.11Å; W103-N105 PolarHBondContact O-N 3.05Å; W103-N105 VanDerWaalsContact O-N 3.07Å; W103-G106 PolarHBondContact O-N 3.39Å; W103-E107 VanDerWaalsContact CB-O 3.25Å; W103-E107 WeakPolarHBondContact CB-O 3.46Å; W103-L108 HydrophobicContact CD2-CB 4.4Å; W103-L108 HydrophobicContact CD2-CD1 4.49Å; W103-L108 HydrophobicContact CH2-CD1 3.77Å; W103-L108 HydrophobicContact CZ2-CB 4.29Å; W103-L108 HydrophobicContact CZ2-CD1 3.68Å; W103-L108 HydrophobicContact CZ2-CG 4.47Å; W103-L108 HydrophobicContact CZ3-CD1 4.22Å; W103-L112 HydrophobicContact CH2-CD2 4.1Å; W103-L112 HydrophobicContact CZ3-CD2 3.82Å
104P94.1Very high96Very high69 Ų6964.5 Ų64.545%0.44840%0.396SS..THydrogen-bonded Turntrans-53.6-33.6179.7-27.733.4000114.5H51H51-P104 WeakPolarHBondContact CD2-CG 3.1Å
105N93.2Very high96.1Very high145 Ų14565.2 Ų65.278%0.77539%0.393SS*.THydrogen-bonded Turntrans-94.84.3179.2-66.1-32.5000113.6W103 E107W103-N105 PolarHBondContact O-N 3.05Å; W103-N105 VanDerWaalsContact O-N 3.07Å; N105-E107 PolarHBondContact O-N 3.26Å
106G95.7Very high96.1Very high37 Ų3765.5 Ų65.538%0.38140%0.396SS..SBendtrans71.38.2-171.200000114.2T100 W103T100-G106 VanDerWaalsContact CB-O 3.22Å; T100-G106 WeakPolarHBondContact CB-O 3.46Å; T100-G106 WeakPolarHBondContact CG2-O 3.25Å; T100-G106 WeakPolarHBondContact O-CA 3.45Å; W103-G106 PolarHBondContact O-N 3.39Å
107E96Very high96.2Very high148 Ų14867 Ų6769%0.69239%0.387SS*.SBendtrans-142.8139-178.1-170.3176.1-167.700110.7W103 N105 P109W103-E107 VanDerWaalsContact CB-O 3.25Å; W103-E107 WeakPolarHBondContact CB-O 3.46Å; N105-E107 PolarHBondContact O-N 3.26Å; E107-P109 WeakPolarHBondContact O-CD 3.48Å
108L95.9Very high96.2Very high51 Ų5166.3 Ų66.327%0.26739%0.391SS..  trans-65.4123.2172.9168.363.7000109.3L95 W103 A110 L112L95-L108 HydrophobicContact CB-CD1 4.17Å; L95-L108 HydrophobicContact CB-CD2 3.79Å; L95-L108 HydrophobicContact CD1-CD1 3.93Å; W103-L108 HydrophobicContact CD2-CB 4.4Å; W103-L108 HydrophobicContact CD2-CD1 4.49Å; W103-L108 HydrophobicContact CH2-CD1 3.77Å; W103-L108 HydrophobicContact CZ2-CB 4.29Å; W103-L108 HydrophobicContact CZ2-CD1 3.68Å; W103-L108 HydrophobicContact CZ2-CG 4.47Å; W103-L108 HydrophobicContact CZ3-CD1 4.22Å; L108-A110 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD1-CB 3.96Å; L108-L112 HydrophobicContact CD1-CD2 3.54Å; L108-L112 HydrophobicContact CD1-CG 4.25Å
109P95.9Very high96.3Very high29 Ų2968.3 Ų68.319%0.18840%0.402CS..  trans-56.1127.8174.5-23.631.6000111.3W47 E107 D111 L112W47-P109 HydrophobicContact CH2-CG 3.65Å; W47-P109 HydrophobicContact CZ2-CG 3.61Å; W47-P109 HydrophobicContact CZ3-CG 4.27Å; E107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-D111 PolarHBondContact O-N 2.88Å; P109-L112 HydrophobicContact CB-CB 4.18Å; P109-L112 VanDerWaalsContact O-CB 3.28Å; P109-L112 WeakPolarHBondContact O-CB 3.08Å; P109-L112 PolarHBondContact O-N 3.21Å
110A95.6Very high96.4Very high112 Ų11267 Ų6793%0.92639%0.392SS*.THydrogen-bonded Turntrans-57.7-28.9-168.100000114.4L108L108-A110 PolarHBondContact O-N 2.87Å
111D96.6Very high96.5Very high65 Ų6564.4 Ų64.435%0.34838%0.378SS..THydrogen-bonded Turntrans-98.5-2.5-179.463.5-4000113.5P109 A113 S114 R115P109-D111 PolarHBondContact O-N 2.88Å; D111-A113 PolarHBondContact O-N 3.39Å; D111-S114 PolarHBondContact O-N 3.02Å; D111-S114 PolarHBondContact O-OG 3.29Å; D111-R115 HydrophobicContact CB-CG 4.4Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 3.27Å; D111-R115 IonicContact OD1-CZ 3.08Å; D111-R115 VanDerWaalsContact OD1-CZ 3.25Å; D111-R115 IonicContact OD1-NE 3.56Å; D111-R115 PolarHBondContact OD1-NE 3.19Å; D111-R115 IonicContact OD1-NH2 2.7Å; D111-R115 PolarHBondContact OD1-NH2 3.02Å; D111-R115 WeakPolarHBondContact OD2-CD 3.35Å; D111-R115 IonicContact OD2-CZ 3.81Å; D111-R115 IonicContact OD2-NE 2.59Å; D111-R115 PolarHBondContact OD2-NE 3.45Å; D111-R115 IonicContact OD2-NH1 3Å; D111-R115 IonicContact OD2-NH2 3.49Å; D111-R115 PolarHBondContact OD2-NH2 3.23Å; D111-R115 VanDerWaalsContact OD2-NH2 3.15Å
112L97Very high96.7Very high0 Ų058.2 Ų58.20%035%0.349CS..Hα-helixtrans-56.6-50.3-174.4-176.361.8000111T43 W47 L95 W103 L108 P109 S114 R115 V116T43-L112 HydrophobicContact CG2-CD1 3.41Å; T43-L112 VanDerWaalsContact CG2-CD1 3.41Å; W47-L112 HydrophobicContact CE3-CD1 4.26Å; W47-L112 HydrophobicContact CZ3-CD2 4.24Å; L95-L112 HydrophobicContact CD1-CB 4.5Å; L95-L112 HydrophobicContact CD1-CD2 4.11Å; L95-L112 HydrophobicContact CD1-CG 4.1Å; W103-L112 HydrophobicContact CH2-CD2 4.1Å; W103-L112 HydrophobicContact CZ3-CD2 3.82Å; L108-L112 HydrophobicContact CD1-CB 3.96Å; L108-L112 HydrophobicContact CD1-CD2 3.54Å; L108-L112 HydrophobicContact CD1-CG 4.25Å; P109-L112 HydrophobicContact CB-CB 4.18Å; P109-L112 VanDerWaalsContact O-CB 3.28Å; P109-L112 WeakPolarHBondContact O-CB 3.08Å; P109-L112 PolarHBondContact O-N 3.21Å; L112-S114 PolarHBondContact O-N 3.47Å; L112-S114 VanDerWaalsContact O-N 3.16Å; L112-R115 PolarHBondContact O-N 3.1Å; L112-V116 HydrophobicContact CD1-CG1 3.63Å; L112-V116 HydrophobicContact CG-CG1 4Å; L112-V116 WeakPolarHBondContact O-CG1 3.37Å; L112-V116 WeakPolarHBondContact O-CG2 3.42Å; L112-V116 PolarHBondContact O-N 2.87Å
113A96.2Very high96.8Very high68 Ų6860.5 Ų60.556%0.56236%0.361SS*.Hα-helixtrans-57.5-31.9179.600000113.3L95 D111L95-A113 HydrophobicContact CD1-CB 4.06Å; D111-A113 PolarHBondContact O-N 3.39Å
114S96.4Very high97Very high91 Ų9160 Ų6064%0.63636%0.36SS*.Hα-helixtrans-84-22.6179.871.30000113.8D111 L112D111-S114 PolarHBondContact O-N 3.02Å; D111-S114 PolarHBondContact O-OG 3.29Å; L112-S114 PolarHBondContact O-N 3.47Å; L112-S114 VanDerWaalsContact O-N 3.16Å
115R97.2Very high97.2Very high79 Ų7962.4 Ų62.430%0.29836%0.361SS..Hα-helixtrans-99.6-25.5-174.3-68.1-169.3-60.2165-10.7113.6T43 P44 D111 L112 Q117T43-R115 HydrophobicContact CG2-CB 4.28Å; P44-R115 WeakPolarHBondContact CD-O 3.31Å; D111-R115 HydrophobicContact CB-CG 4.4Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 3.27Å; D111-R115 IonicContact OD1-CZ 3.08Å; D111-R115 VanDerWaalsContact OD1-CZ 3.25Å; D111-R115 IonicContact OD1-NE 3.56Å; D111-R115 PolarHBondContact OD1-NE 3.19Å; D111-R115 IonicContact OD1-NH2 2.7Å; D111-R115 PolarHBondContact OD1-NH2 3.02Å; D111-R115 WeakPolarHBondContact OD2-CD 3.35Å; D111-R115 IonicContact OD2-CZ 3.81Å; D111-R115 IonicContact OD2-NE 2.59Å; D111-R115 PolarHBondContact OD2-NE 3.45Å; D111-R115 IonicContact OD2-NH1 3Å; D111-R115 IonicContact OD2-NH2 3.49Å; D111-R115 PolarHBondContact OD2-NH2 3.23Å; D111-R115 VanDerWaalsContact OD2-NH2 3.15Å; L112-R115 PolarHBondContact O-N 3.1Å; R115-Q117 PolarHBondContact O-N 3.07Å
116V97.8Very high97.4Very high15 Ų1556.2 Ų56.29%0.09133%0.326CS..  trans-62.2136.8178.9-70.80000111.1E42 T43 L93 L112E42-V116 WeakPolarHBondContact O-CA 3.46Å; T43-V116 HydrophobicContact CG2-CG1 4.03Å; L93-V116 HydrophobicContact CD1-CG2 4.02Å; L112-V116 HydrophobicContact CD1-CG1 3.63Å; L112-V116 HydrophobicContact CG-CG1 4Å; L112-V116 WeakPolarHBondContact O-CG1 3.37Å; L112-V116 WeakPolarHBondContact O-CG2 3.42Å; L112-V116 PolarHBondContact O-N 2.87Å
117Q97.9Very high97.6Very high116 Ų11655 Ų5554%0.54231%0.311SS..EExtended strand (participates in β ladder)trans-127.8151.6173.7-66.3-64.4-33.800109.2Y41 E42 R115 L119Y41-Q117 WeakPolarHBondContact CA-O 3.47Å; E42-Q117 PolarHBondContact N-O 3.37Å; E42-Q117 PolarHBondContact O-N 3.03Å; R115-Q117 PolarHBondContact O-N 3.07Å; Q117-L119 PolarHBondContact O-N 3.45Å; Q117-L119 VanDerWaalsContact O-N 3.11Å
118P98.3Very high97.7Very high79 Ų7949.5 Ų49.551%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-54.7116.4164.2-2435000109.7I39 Y41I39-P118 HydrophobicContact CG2-CB 3.74Å; I39-P118 HydrophobicContact CG2-CG 4.31Å; Y41-P118 HydrophobicContact CD1-CG 4.38Å; Y41-P118 HydrophobicContact CE1-CG 3.94Å
119L98.6Very high97.9Very high54 Ų5447.2 Ų47.228%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-99-44.5-178-175.365.9000111.6Y40 E42 Q117 Y196 A199Y40-L119 PolarHBondContact O-N 2.95Å; E42-L119 HydrophobicContact CB-CB 3.97Å; E42-L119 HydrophobicContact CB-CD2 3.6Å; E42-L119 HydrophobicContact CB-CG 4.33Å; E42-L119 HydrophobicContact CG-CD2 3.89Å; Q117-L119 PolarHBondContact O-N 3.45Å; Q117-L119 VanDerWaalsContact O-N 3.11Å; L119-Y196 HydrophobicContact CD2-CD1 3.66Å; L119-Y196 HydrophobicContact CD2-CE1 3.73Å; L119-A199 HydrophobicContact CD1-CB 3.79Å; L119-A199 HydrophobicContact CD2-CB 3.91Å; L119-A199 HydrophobicContact CG-CB 3.7Å
120F98.8Very high98Very high7 Ų748.4 Ų48.43%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-153.7164.4-179.664.3-93.4000110.7Y40 V147 K148 A149 A192 Y196Y40-F120 VanDerWaalsContact CB-CE2 3.45Å; Y40-F120 AromaticContact CD1-CE2 3.87Å; Y40-F120 HydrophobicContact CD1-CE2 3.87Å; Y40-F120 AromaticContact CD1-CZ 3.63Å; Y40-F120 HydrophobicContact CD1-CZ 3.63Å; Y40-F120 AromaticContact CD2-CD2 3.85Å; Y40-F120 HydrophobicContact CD2-CD2 3.85Å; Y40-F120 AromaticContact CD2-CE2 3.26Å; Y40-F120 HydrophobicContact CD2-CE2 3.26Å; Y40-F120 AromaticContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CE1-CE2 4.42Å; Y40-F120 HydrophobicContact CE1-CZ 4.38Å; Y40-F120 AromaticContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CG-CD2 4.02Å; Y40-F120 HydrophobicContact CG-CE1 4.19Å; Y40-F120 AromaticContact CG-CE2 3.24Å; Y40-F120 HydrophobicContact CG-CE2 3.24Å; Y40-F120 AromaticContact CG-CZ 3.33Å; Y40-F120 HydrophobicContact CG-CZ 3.33Å; Y40-F120 PolarHBondContact N-O 3.41Å; F120-V147 HydrophobicContact CD2-CG2 4.27Å; F120-K148 CarbonylContact C-O 3.5Å; F120-K148 VanDerWaalsContact CA-O 3.25Å; F120-K148 WeakPolarHBondContact CA-O 3.29Å; F120-K148 VanDerWaalsContact CB-O 3.23Å; F120-K148 WeakPolarHBondContact CB-O 3.29Å; F120-A149 HydrophobicContact CB-CB 3.74Å; F120-A192 HydrophobicContact CZ-CB 4.14Å; F120-A192 WeakPolarHBondContact CZ-O 3.4Å; F120-Y196 AromaticContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD2 4.13Å; F120-Y196 HydrophobicContact CE1-CE1 4.07Å; F120-Y196 HydrophobicContact CE1-CE2 4.23Å; F120-Y196 HydrophobicContact CE1-CG 4.01Å; F120-Y196 HydrophobicContact CZ-CD2 4.34Å; F120-Y196 HydrophobicContact CZ-CE2 4.4Å
121S98.7Very high98.1Very high39 Ų3943.7 Ų43.727%0.27324%0.236SC..EExtended strand (participates in β ladder)trans-122.3158.617659.10000111.9N38 V147 K148N38-S121 CarbonylContact O-C 3.56Å; N38-S121 WeakPolarHBondContact O-CA 3.18Å; N38-S121 VanDerWaalsContact O-CB 3.28Å; N38-S121 WeakPolarHBondContact O-CB 3.41Å; S121-V147 WeakPolarHBondContact O-CA 3.25Å; S121-K148 PolarHBondContact N-O 3.31Å; S121-K148 PolarHBondContact O-N 3.25Å
122T98.7Very high98.2Very high1 Ų144.1 Ų44.11%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-128.1121.3163.264.70000108.7N38 Y40 E146 V147 I156 K191N38-T122 VanDerWaalsContact CB-OG1 3.29Å; N38-T122 WeakPolarHBondContact CB-OG1 3.38Å; N38-T122 PolarHBondContact N-O 2.87Å; N38-T122 PolarHBondContact ND2-O 3.09Å; N38-T122 PolarHBondContact ND2-OG1 3.1Å; N38-T122 VanDerWaalsContact ND2-OG1 3.14Å; N38-T122 PolarHBondContact O-N 2.78Å; Y40-T122 HydrophobicContact CE2-CG2 4.01Å; T122-E146 WeakPolarHBondContact CA-O 3.35Å; T122-V147 HydrophobicContact CG2-CB 3.98Å; T122-V147 HydrophobicContact CG2-CG2 3.79Å; T122-I156 HydrophobicContact CG2-CD1 4.24Å; T122-K191 HydrophobicContact CG2-CB 4.13Å
123D98.6Very high98.2Very high53 Ų5345 Ų4528%0.28326%0.255SS..EExtended strand (participates in β ladder)trans-122.3110.8179.6-177.5-8.6000107.8Q35 L37 G145 E146Q35-D123 PolarHBondContact NE2-OD1 2.95Å; Q35-D123 PolarHBondContact NE2-OD2 2.8Å; L37-D123 HydrophobicContact CD2-CB 4Å; L37-D123 WeakPolarHBondContact CD2-OD1 3.3Å; L37-D123 WeakPolarHBondContact CD2-OD2 3.48Å; D123-G145 CarbonylContact O-C 3.4Å; D123-G145 WeakPolarHBondContact O-CA 3.45Å; D123-E146 HydrophobicContact CB-CG 4.49Å; D123-E146 PolarHBondContact N-O 3.03Å; D123-E146 PolarHBondContact O-N 3.32Å
124F98.8Very high98.3Very high2 Ų247.6 Ų47.61%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-151.7155.5-176.860.6-88.1000111.8L36 N38 R126 D143 Q144 I156 K191L36-F124 HydrophobicContact CB-CE2 4.19Å; L36-F124 HydrophobicContact CB-CZ 4.16Å; L36-F124 HydrophobicContact CD1-CE2 3.85Å; L36-F124 HydrophobicContact CD1-CZ 4.07Å; L36-F124 HydrophobicContact CG-CE2 4.44Å; L36-F124 PolarHBondContact N-O 2.96Å; L36-F124 PolarHBondContact O-N 3.32Å; N38-F124 WeakPolarHBondContact ND2-CE1 3.33Å; F124-R126 HydrophobicContact CD2-CB 4.41Å; F124-R126 HydrophobicContact CE2-CB 4.2Å; F124-D143 HydrophobicContact CD2-CB 3.74Å; F124-D143 HydrophobicContact CE2-CB 4.07Å; F124-D143 WeakPolarHBondContact CE2-OD1 3.36Å; F124-D143 WeakPolarHBondContact CE2-OD2 3.24Å; F124-D143 HydrophobicContact CG-CB 4.47Å; F124-Q144 CarbonylContact C-O 3.6Å; F124-Q144 VanDerWaalsContact CA-O 3.27Å; F124-Q144 WeakPolarHBondContact CA-O 3.35Å; F124-Q144 WeakPolarHBondContact CB-O 3.37Å; F124-I156 HydrophobicContact CB-CD1 4.4Å; F124-I156 HydrophobicContact CB-CG2 4.34Å; F124-I156 HydrophobicContact CD1-CD1 3.81Å; F124-I156 HydrophobicContact CE1-CD1 4.5Å; F124-I156 HydrophobicContact CG-CD1 4.36Å; F124-K191 HydrophobicContact CE1-CD 3.95Å; F124-K191 HydrophobicContact CZ-CD 4.25Å
125Y98.8Very high98.3Very high120 Ų12046.8 Ų46.847%0.47127%0.265SS..EExtended strand (participates in β ladder)trans-89.9130.4168.7-69.2-96.5000109.3P33 V34 Q35 D143 Q144P33-Y125 HydrophobicContact CB-CD1 4.35Å; V34-Y125 CarbonylContact O-C 3.54Å; V34-Y125 VanDerWaalsContact O-CA 3.31Å; V34-Y125 WeakPolarHBondContact O-CA 3.37Å; Q35-Y125 HydrophobicContact CB-CD1 4.12Å; Q35-Y125 HydrophobicContact CB-CE1 3.82Å; Q35-Y125 HydrophobicContact CG-CE1 4.37Å; Q35-Y125 HydrophobicContact CG-CE2 4.4Å; Y125-D143 WeakPolarHBondContact O-CA 3.5Å; Y125-Q144 PolarHBondContact N-O 3.08Å; Y125-Q144 PolarHBondContact O-N 3.02Å
126R98.7Very high98.3Very high14 Ų1443.2 Ų43.25%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-110.4116.3175.1175.3166.9-70.1-158.7-4.5110.1P33 V34 L36 F124 K128 E139 A141 L142 D143 E160P33-R126 WeakPolarHBondContact CA-O 3.45Å; V34-R126 PolarHBondContact N-O 3.05Å; V34-R126 PolarHBondContact O-N 3.29Å; L36-R126 HydrophobicContact CD1-CB 3.9Å; L36-R126 HydrophobicContact CG-CB 4.35Å; F124-R126 HydrophobicContact CD2-CB 4.41Å; F124-R126 HydrophobicContact CE2-CB 4.2Å; R126-K128 HydrophobicContact CG-CD 4.38Å; R126-K128 HydrophobicContact CG-CG 3.8Å; R126-E139 IonicContact NH1-OE1 2.71Å; R126-A141 HydrophobicContact CG-CB 3.97Å; R126-L142 WeakPolarHBondContact CA-O 3.32Å; R126-D143 VanDerWaalsContact CB-OD1 3.31Å; R126-D143 WeakPolarHBondContact CB-OD1 3.29Å; R126-D143 WeakPolarHBondContact CG-OD1 3.33Å; R126-D143 IonicContact CZ-OD1 3.72Å; R126-D143 IonicContact CZ-OD2 3.89Å; R126-D143 IonicContact NE-OD1 3.7Å; R126-D143 PolarHBondContact NE-OD1 2.95Å; R126-D143 IonicContact NE-OD2 2.78Å; R126-D143 IonicContact NH2-OD1 3.36Å; R126-D143 PolarHBondContact NH2-OD1 3.43Å; R126-D143 IonicContact NH2-OD2 3.62Å; R126-D143 PolarHBondContact NH2-OD2 2.88Å; R126-E160 IonicContact CZ-OE2 2.8Å; R126-E160 IonicContact NH1-OE2 3.83Å; R126-E160 IonicContact NH2-OE2 3.68Å; R126-E160 PolarHBondContact NH2-OE2 3.36Å
127E98.8Very high98.4Very high11 Ų1145.8 Ų45.85%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-97138.9168.5-164.6175.9-179.300109.2R20 H30 P33 W129 A141 L142R20-E127 WeakPolarHBondContact CD-OE2 3.39Å; R20-E127 IonicContact CZ-OE2 3.61Å; R20-E127 IonicContact NE-OE1 2.75Å; R20-E127 IonicContact NE-OE2 3.73Å; R20-E127 PolarHBondContact NE-OE2 2.78Å; R20-E127 IonicContact NH2-OE2 3.8Å; H30-E127 IonicContact CD2-OE1 2.71Å; H30-E127 IonicContact CE1-OE1 2.92Å; H30-E127 IonicContact NE2-OE1 3.77Å; H30-E127 PolarHBondContact NE2-OE1 2.95Å; P33-E127 HydrophobicContact CB-CB 4.4Å; P33-E127 HydrophobicContact CG-CB 4Å; P33-E127 HydrophobicContact CG-CG 4Å; E127-W129 HydrophobicContact CB-CH2 3.87Å; E127-W129 HydrophobicContact CB-CZ3 4Å; E127-W129 HydrophobicContact CG-CH2 3.45Å; E127-W129 VanDerWaalsContact CG-CH2 3.45Å; E127-W129 HydrophobicContact CG-CZ2 3.9Å; E127-W129 HydrophobicContact CG-CZ3 3.93Å; E127-W129 WeakPolarHBondContact OE1-CZ2 3.38Å; E127-A141 WeakPolarHBondContact O-CA 3.37Å; E127-L142 HydrophobicContact CB-CB 4.39Å; E127-L142 PolarHBondContact N-O 3.24Å; E127-L142 PolarHBondContact O-N 3.29Å
128K98.7Very high98.4Very high33 Ų3340.3 Ų40.314%0.14324%0.238CC..EExtended strand (participates in β ladder)trans-125.6145.6-170.6-59.9-170.1-64.7-71.60113.3H30 H31 R126 E139 I140H30-K128 CarbonylContact C-O 3.55Å; H30-K128 WeakPolarHBondContact CA-O 3.48Å; H30-K128 PolarHBondContact CD2-O 2.88Å; H31-K128 HydrophobicContact CB-CB 4.33Å; H31-K128 PolarHBondContact N-O 3.43Å; H31-K128 PolarHBondContact O-N 2.94Å; H31-K128 VanDerWaalsContact O-N 3.13Å; R126-K128 HydrophobicContact CG-CD 4.38Å; R126-K128 HydrophobicContact CG-CG 3.8Å; K128-E139 HydrophobicContact CD-CG 4.35Å; K128-E139 WeakPolarHBondContact CD-OE2 3.42Å; K128-I140 CarbonylContact C-O 3.57Å; K128-I140 VanDerWaalsContact CA-O 3.27Å; K128-I140 WeakPolarHBondContact CA-O 3.19Å
129W98.7Very high98.4Very high3 Ų338.6 Ų38.61%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-132.3125.8165.6-57.4-103.9000109.8R20 L23 N24 E29 H30 E127 I140 L142R20-W129 HydrophobicContact CG-CH2 4.21Å; R20-W129 HydrophobicContact CG-CZ2 3.96Å; L23-W129 HydrophobicContact CB-CD2 4.02Å; L23-W129 HydrophobicContact CB-CE3 4.43Å; L23-W129 HydrophobicContact CB-CH2 4.43Å; L23-W129 HydrophobicContact CB-CZ2 4.01Å; L23-W129 HydrophobicContact CD1-CD2 4.28Å; L23-W129 HydrophobicContact CD1-CE3 3.84Å; L23-W129 HydrophobicContact CD1-CH2 3.82Å; L23-W129 HydrophobicContact CD1-CZ2 4.25Å; L23-W129 HydrophobicContact CD1-CZ3 3.6Å; N24-W129 PolarHBondContact OD1-NE1 3.21Å; E29-W129 CarbonylContact O-C 3.53Å; E29-W129 VanDerWaalsContact O-CA 3.28Å; E29-W129 WeakPolarHBondContact O-CA 3.46Å; H30-W129 AromaticContact CD2-CD1 3.76Å; H30-W129 AromaticContact CD2-CE2 3.39Å; H30-W129 AromaticContact CD2-CZ2 3.73Å; H30-W129 AromaticContact CD2-NE1 3.21Å; H30-W129 PolarHBondContact CD2-NE1 2.83Å; H30-W129 AromaticContact CG-NE1 3.82Å; H30-W129 AromaticContact NE2-CZ2 3.92Å; E127-W129 HydrophobicContact CB-CH2 3.87Å; E127-W129 HydrophobicContact CB-CZ3 4Å; E127-W129 HydrophobicContact CG-CH2 3.45Å; E127-W129 VanDerWaalsContact CG-CH2 3.45Å; E127-W129 HydrophobicContact CG-CZ2 3.9Å; E127-W129 HydrophobicContact CG-CZ3 3.93Å; E127-W129 WeakPolarHBondContact OE1-CZ2 3.38Å; W129-I140 HydrophobicContact CB-CB 4.16Å; W129-I140 HydrophobicContact CB-CD1 4.4Å; W129-I140 HydrophobicContact CE3-CB 4.33Å; W129-I140 HydrophobicContact CE3-CG2 4.12Å; W129-I140 PolarHBondContact N-O 3.45Å; W129-I140 PolarHBondContact O-N 3.05Å; W129-L142 HydrophobicContact CH2-CB 4.11Å; W129-L142 HydrophobicContact CH2-CD2 4.22Å; W129-L142 HydrophobicContact CZ3-CB 3.7Å
130L98.7Very high98.4Very high55 Ų5536 Ų3629%0.28821%0.209SC..EExtended strand (participates in β ladder)trans-95.4119.8171.5178.764.2000109.7G28 E29 L164G28-L130 CarbonylContact C-O 3.52Å; G28-L130 WeakPolarHBondContact CA-O 3.48Å; E29-L130 HydrophobicContact CB-CB 4.23Å; E29-L130 PolarHBondContact N-O 3.2Å; E29-L130 PolarHBondContact O-N 3.01Å; L130-L164 HydrophobicContact CD1-CD1 3.61Å
131V98.5Very high98.4Very high12 Ų1235.7 Ų35.77%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-125.3148.1-177.9-61.20000112L26 V133 I138 I140 L174L26-V131 HydrophobicContact CB-CG1 4.28Å; V131-V133 HydrophobicContact CG2-CG2 4.37Å; V131-I138 HydrophobicContact CG2-CB 4.02Å; V131-I138 PolarHBondContact N-O 3.2Å; V131-I138 PolarHBondContact O-N 3.29Å; V131-I140 HydrophobicContact CG1-CD1 4.06Å; V131-I140 HydrophobicContact CG2-CD1 3.98Å; V131-I140 HydrophobicContact CG2-CG1 4.15Å; V131-L174 HydrophobicContact CG2-CD2 3.89Å
132A98.2Very high98.4Very high74 Ų7434 Ų3461%0.61220%0.196SC*.EExtended strand (participates in β ladder)trans-103.7126.4173.700000110.5S136A132-S136 WeakPolarHBondContact CA-O 3.43Å
133V98Very high98.4Very high20 Ų2033.9 Ų33.912%0.12120%0.195CC..EExtended strand (participates in β ladder)trans-132.6114.1179-178.30000109.2V131 G135 S136 I138 A170 K173V131-V133 HydrophobicContact CG2-CG2 4.37Å; V133-G135 PolarHBondContact O-N 3.07Å; V133-G135 VanDerWaalsContact O-N 3.11Å; V133-S136 PolarHBondContact N-O 2.99Å; V133-S136 WeakPolarHBondContact O-CA 3.36Å; V133-S136 VanDerWaalsContact O-CB 3.31Å; V133-S136 WeakPolarHBondContact O-CB 3.46Å; V133-S136 PolarHBondContact O-N 2.71Å; V133-I138 HydrophobicContact CB-CD1 4.16Å; V133-I138 HydrophobicContact CG2-CD1 4.08Å; V133-A170 HydrophobicContact CB-CB 4.12Å; V133-A170 HydrophobicContact CG1-CB 4Å; V133-K173 HydrophobicContact CG1-CD 4.01Å; V133-K173 HydrophobicContact CG1-CG 4.44Å
134D96.6Very high98.4Very high121 Ų12133.9 Ų33.965%0.64719%0.193SC*.THydrogen-bonded Turntrans49.238.4178-57.2-19.9000114.2S136 K173D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 2.84Å; D134-K173 IonicContact OD1-NZ 2.68Å; D134-K173 PolarHBondContact OD1-NZ 2.58Å; D134-K173 WeakPolarHBondContact OD2-CD 3.34Å; D134-K173 IonicContact OD2-NZ 2.8Å; D134-K173 PolarHBondContact OD2-NZ 3.35Å
135G96.6Very high98.4Very high74 Ų7435.3 Ų35.376%0.76321%0.209SC*.THydrogen-bonded Turntrans84-1.9-178.300000115.2V133V133-G135 PolarHBondContact O-N 3.07Å; V133-G135 VanDerWaalsContact O-N 3.11Å
136S98.3Very high98.4Very high5 Ų533.1 Ų33.14%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-91.1150.8170.6-50.90000110.8A132 V133 D134 S165 G166 D167 A170A132-S136 WeakPolarHBondContact CA-O 3.43Å; V133-S136 PolarHBondContact N-O 2.99Å; V133-S136 WeakPolarHBondContact O-CA 3.36Å; V133-S136 VanDerWaalsContact O-CB 3.31Å; V133-S136 WeakPolarHBondContact O-CB 3.46Å; V133-S136 PolarHBondContact O-N 2.71Å; D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 2.84Å; S136-S165 CarbonylContact C-O 3.52Å; S136-S165 VanDerWaalsContact CA-O 3.27Å; S136-S165 WeakPolarHBondContact CA-O 3.34Å; S136-S165 WeakPolarHBondContact CB-O 3.35Å; S136-G166 WeakPolarHBondContact OG-CA 3.19Å; S136-D167 PolarHBondContact OG-N 3.38Å; S136-A170 WeakPolarHBondContact OG-CB 3.34Å
137Q98.5Very high98.4Very high69 Ų6932.5 Ų32.532%0.32220%0.201SC..EExtended strand (participates in β ladder)trans-108.1126.1174.3-65.3-64.8-40.300109.2L164 S165Q137-L164 HydrophobicContact CB-CB 4.18Å; Q137-L164 PolarHBondContact O-N 2.84Å; Q137-S165 PolarHBondContact N-O 3.41Å; Q137-S165 PolarHBondContact O-N 3.32Å
138I98.8Very high98.4Very high0 Ų036 Ų360%022%0.216CC..EExtended strand (participates in β ladder)trans-126.3125.2-177-58.7168.2000109V131 V133 L161 E162 L163 A170 V171 L174V131-I138 HydrophobicContact CG2-CB 4.02Å; V131-I138 PolarHBondContact N-O 3.2Å; V131-I138 PolarHBondContact O-N 3.29Å; V133-I138 HydrophobicContact CB-CD1 4.16Å; V133-I138 HydrophobicContact CG2-CD1 4.08Å; I138-L161 HydrophobicContact CG2-CB 4.19Å; I138-E162 CarbonylContact C-O 3.54Å; I138-E162 VanDerWaalsContact CA-O 3.25Å; I138-E162 WeakPolarHBondContact CA-O 3.24Å; I138-E162 WeakPolarHBondContact CG2-O 3.4Å; I138-L163 HydrophobicContact CG1-CD1 4.26Å; I138-A170 HydrophobicContact CD1-CB 4.14Å; I138-V171 HydrophobicContact CD1-CG2 4.08Å; I138-V171 HydrophobicContact CG1-CG2 4.25Å; I138-L174 HydrophobicContact CB-CD2 4.45Å; I138-L174 HydrophobicContact CD1-CB 4.41Å; I138-L174 HydrophobicContact CD1-CD2 4.11Å; I138-L174 HydrophobicContact CG2-CD2 3.93Å
139E98.8Very high98.4Very high43 Ų4334.7 Ų34.720%0.20121%0.211CC..EExtended strand (participates in β ladder)trans-86.5121.2165.9-179.8176.9111.500108.6R126 K128 E162 L164R126-E139 IonicContact NH1-OE1 2.71Å; K128-E139 HydrophobicContact CD-CG 4.35Å; K128-E139 WeakPolarHBondContact CD-OE2 3.42Å; E139-E162 HydrophobicContact CB-CB 4.43Å; E139-E162 PolarHBondContact N-O 3.33Å; E139-E162 PolarHBondContact O-N 2.9Å; E139-L164 HydrophobicContact CB-CD1 4.19Å; E139-L164 HydrophobicContact CB-CD2 4.12Å; E139-L164 HydrophobicContact CB-CG 4.19Å
140I98.8Very high98.3Very high0 Ų037.7 Ų37.70%024%0.243CC..EExtended strand (participates in β ladder)trans-93.9122.9168.3-51.6179.1000107.1L23 L26 K128 W129 V131 L159 E160 L161 L174L23-I140 HydrophobicContact CD1-CG2 4.04Å; L23-I140 HydrophobicContact CD2-CD1 4.01Å; L23-I140 HydrophobicContact CD2-CG2 3.96Å; L26-I140 HydrophobicContact CD1-CD1 3.64Å; K128-I140 CarbonylContact C-O 3.57Å; K128-I140 VanDerWaalsContact CA-O 3.27Å; K128-I140 WeakPolarHBondContact CA-O 3.19Å; W129-I140 HydrophobicContact CB-CB 4.16Å; W129-I140 HydrophobicContact CB-CD1 4.4Å; W129-I140 HydrophobicContact CE3-CB 4.33Å; W129-I140 HydrophobicContact CE3-CG2 4.12Å; W129-I140 PolarHBondContact N-O 3.45Å; W129-I140 PolarHBondContact O-N 3.05Å; V131-I140 HydrophobicContact CG1-CD1 4.06Å; V131-I140 HydrophobicContact CG2-CD1 3.98Å; V131-I140 HydrophobicContact CG2-CG1 4.15Å; I140-L159 HydrophobicContact CG2-CD1 3.54Å; I140-L159 HydrophobicContact CG2-CG 4.32Å; I140-E160 CarbonylContact C-O 3.55Å; I140-E160 WeakPolarHBondContact CA-O 3.46Å; I140-L161 HydrophobicContact CB-CD2 4.32Å; I140-L161 HydrophobicContact CG1-CD2 3.96Å; I140-L161 HydrophobicContact CG2-CD2 3.91Å; I140-L174 HydrophobicContact CD1-CD2 3.91Å; I140-L174 HydrophobicContact CG1-CD2 4.07Å
141A98.8Very high98.3Very high1 Ų144 Ų441%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-119.5122.3176.200000111R126 E127 L159 E160R126-A141 HydrophobicContact CG-CB 3.97Å; E127-A141 WeakPolarHBondContact O-CA 3.37Å; A141-L159 CarbonylContact O-C 3.58Å; A141-L159 VanDerWaalsContact O-CA 3.31Å; A141-L159 WeakPolarHBondContact O-CA 3.23Å; A141-E160 HydrophobicContact CB-CB 4.33Å; A141-E160 PolarHBondContact N-O 3.16Å; A141-E160 PolarHBondContact O-N 3.27Å
142L98.8Very high98.3Very high2 Ų247.6 Ų47.61%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-100.7113.2171178.162.9000109.1V11 L19 R20 R126 E127 W129 L159V11-L142 HydrophobicContact CG2-CD1 4.32Å; L19-L142 HydrophobicContact CD2-CD1 4.04Å; R20-L142 HydrophobicContact CB-CD2 4.44Å; R126-L142 WeakPolarHBondContact CA-O 3.32Å; E127-L142 HydrophobicContact CB-CB 4.39Å; E127-L142 PolarHBondContact N-O 3.24Å; E127-L142 PolarHBondContact O-N 3.29Å; W129-L142 HydrophobicContact CH2-CB 4.11Å; W129-L142 HydrophobicContact CH2-CD2 4.22Å; W129-L142 HydrophobicContact CZ3-CB 3.7Å; L142-L159 HydrophobicContact CB-CD1 4.29Å; L142-L159 HydrophobicContact CD1-CD1 4.47Å
143D98.8Very high98.3Very high0 Ų046.3 Ų46.30%028%0.275CS..EExtended strand (participates in β ladder)trans-108.2129-174.8-69.4-17.8000111.5F124 Y125 R126 I156 C157 E158 K191F124-D143 HydrophobicContact CD2-CB 3.74Å; F124-D143 HydrophobicContact CE2-CB 4.07Å; F124-D143 WeakPolarHBondContact CE2-OD1 3.36Å; F124-D143 WeakPolarHBondContact CE2-OD2 3.24Å; F124-D143 HydrophobicContact CG-CB 4.47Å; Y125-D143 WeakPolarHBondContact O-CA 3.5Å; R126-D143 VanDerWaalsContact CB-OD1 3.31Å; R126-D143 WeakPolarHBondContact CB-OD1 3.29Å; R126-D143 WeakPolarHBondContact CG-OD1 3.33Å; R126-D143 IonicContact CZ-OD1 3.72Å; R126-D143 IonicContact CZ-OD2 3.89Å; R126-D143 IonicContact NE-OD1 3.7Å; R126-D143 PolarHBondContact NE-OD1 2.95Å; R126-D143 IonicContact NE-OD2 2.78Å; R126-D143 IonicContact NH2-OD1 3.36Å; R126-D143 PolarHBondContact NH2-OD1 3.43Å; R126-D143 IonicContact NH2-OD2 3.62Å; R126-D143 PolarHBondContact NH2-OD2 2.88Å; D143-I156 HydrophobicContact CB-CG2 3.86Å; D143-C157 VanDerWaalsContact O-CA 3.32Å; D143-C157 WeakPolarHBondContact O-CA 3.44Å; D143-E158 HydrophobicContact CB-CG 3.94Å; D143-E158 PolarHBondContact N-O 3.38Å; D143-E158 PolarHBondContact O-N 3.12Å; D143-K191 VanDerWaalsContact OD2-CE 3.25Å; D143-K191 WeakPolarHBondContact OD2-CE 3.15Å; D143-K191 IonicContact OD2-NZ 3.61Å; D143-K191 PolarHBondContact OD2-NZ 3.38Å
144Q98.8Very high98.3Very high52 Ų5246.1 Ų46.124%0.24327%0.273CS..EExtended strand (participates in β ladder)trans-136.7125.4175.9-74.2174.45600112.3F124 Y125 I156F124-Q144 CarbonylContact C-O 3.6Å; F124-Q144 VanDerWaalsContact CA-O 3.27Å; F124-Q144 WeakPolarHBondContact CA-O 3.35Å; F124-Q144 WeakPolarHBondContact CB-O 3.37Å; Y125-Q144 PolarHBondContact N-O 3.08Å; Y125-Q144 PolarHBondContact O-N 3.02Å; Q144-I156 WeakPolarHBondContact CA-O 3.48Å
145G98.7Very high98.4Very high33 Ų3345.3 Ų45.334%0.3427%0.274SS..EExtended strand (participates in β ladder)trans167.1-136.6-179.200000112.7D123 I156D123-G145 CarbonylContact O-C 3.4Å; D123-G145 WeakPolarHBondContact O-CA 3.45Å; G145-I156 PolarHBondContact N-O 2.9Å; G145-I156 PolarHBondContact O-N 3.39Å
146E98.7Very high98.5Very high74 Ų7442 Ų4235%0.34624%0.239SC..EExtended strand (participates in β ladder)trans-138.9152.3-17965.3174.1-150.200113.6T122 D123 K148 I156T122-E146 WeakPolarHBondContact CA-O 3.35Å; D123-E146 HydrophobicContact CB-CG 4.49Å; D123-E146 PolarHBondContact N-O 3.03Å; D123-E146 PolarHBondContact O-N 3.32Å; E146-K148 WeakPolarHBondContact OE1-CD 3.44Å; E146-I156 VanDerWaalsContact O-CD1 3.3Å; E146-I156 WeakPolarHBondContact O-CD1 3.05Å
147V98.7Very high98.5Very high0 Ų042.4 Ų42.40%024%0.242CC..EExtended strand (participates in β ladder)trans-110.2133.315955.60000107.8F120 S121 T122 A153 E154 I156 R194 L198F120-V147 HydrophobicContact CD2-CG2 4.27Å; S121-V147 WeakPolarHBondContact O-CA 3.25Å; T122-V147 HydrophobicContact CG2-CB 3.98Å; T122-V147 HydrophobicContact CG2-CG2 3.79Å; V147-A153 CarbonylContact O-C 3.58Å; V147-A153 VanDerWaalsContact O-CA 3.24Å; V147-A153 WeakPolarHBondContact O-CA 3.45Å; V147-E154 HydrophobicContact CG1-CG 3.46Å; V147-E154 VanDerWaalsContact CG1-CG 3.46Å; V147-E154 PolarHBondContact N-O 2.9Å; V147-E154 PolarHBondContact O-N 3.17Å; V147-I156 HydrophobicContact CB-CD1 4.19Å; V147-I156 HydrophobicContact CB-CG1 4.31Å; V147-I156 HydrophobicContact CG1-CG1 4.41Å; V147-R194 HydrophobicContact CG1-CB 4.12Å; V147-L198 HydrophobicContact CB-CD1 4.48Å; V147-L198 HydrophobicContact CG1-CD1 3.96Å; V147-L198 HydrophobicContact CG2-CD1 4.18Å; V147-L198 WeakPolarHBondContact O-CD1 3.41Å
148K98.8Very high98.5Very high85 Ų8539.1 Ų39.137%0.3723%0.226SC..EExtended strand (participates in β ladder)trans-142.3130.7-168.6-179.4168.6178.7174.20112.6F120 S121 E146 G150 F152 A153F120-K148 CarbonylContact C-O 3.5Å; F120-K148 VanDerWaalsContact CA-O 3.25Å; F120-K148 WeakPolarHBondContact CA-O 3.29Å; F120-K148 VanDerWaalsContact CB-O 3.23Å; F120-K148 WeakPolarHBondContact CB-O 3.29Å; S121-K148 PolarHBondContact N-O 3.31Å; S121-K148 PolarHBondContact O-N 3.25Å; E146-K148 WeakPolarHBondContact OE1-CD 3.44Å; K148-G150 VanDerWaalsContact CE-O 3.29Å; K148-G150 WeakPolarHBondContact CE-O 3.4Å; K148-F152 CarbonylContact C-O 3.54Å; K148-F152 WeakPolarHBondContact CA-O 3.29Å; K148-A153 HydrophobicContact CB-CB 4.06Å; K148-A153 HydrophobicContact CD-CB 4.37Å; K148-A153 HydrophobicContact CG-CB 4.08Å
149A98.6Very high98.5Very high6 Ų639.1 Ų39.15%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-128.8102.9173.200000109.2F120 E151 F152 L198 A199F120-A149 HydrophobicContact CB-CB 3.74Å; A149-E151 PolarHBondContact O-N 2.68Å; A149-F152 PolarHBondContact N-O 3.35Å; A149-F152 PolarHBondContact O-N 2.92Å; A149-F152 VanDerWaalsContact O-N 3.07Å; A149-L198 HydrophobicContact CB-CB 3.74Å; A149-A199 HydrophobicContact CB-CB 3.83Å
150G96.6Very high98.5Very high65 Ų6537.5 Ų37.567%0.6722%0.219SC*.THydrogen-bonded Turntrans57.9-119.1-174.200000112.1K148K148-G150 VanDerWaalsContact CE-O 3.29Å; K148-G150 WeakPolarHBondContact CE-O 3.4Å
151E97.4Very high98.5Very high189 Ų18937.5 Ų37.588%0.88322%0.219SC*.THydrogen-bonded Turntrans-81.6-15.7-179.7-59.3-175.5146.200113.5A149A149-E151 PolarHBondContact O-N 2.68Å
152F98.5Very high98.5Very high86 Ų8639.2 Ų39.238%0.37723%0.227SC..EExtended strand (participates in β ladder)trans-95.1127.1-177.3-60.6-82.4000110.5K148 A149 L198 G201 N202K148-F152 CarbonylContact C-O 3.54Å; K148-F152 WeakPolarHBondContact CA-O 3.29Å; A149-F152 PolarHBondContact N-O 3.35Å; A149-F152 PolarHBondContact O-N 2.92Å; A149-F152 VanDerWaalsContact O-N 3.07Å; F152-L198 HydrophobicContact CB-CB 4.12Å; F152-L198 HydrophobicContact CB-CD2 4.08Å; F152-G201 WeakPolarHBondContact CE1-O 3.39Å; F152-N202 HydrophobicContact CB-CB 4.43Å; F152-N202 HydrophobicContact CD1-CB 3.79Å; F152-N202 HydrophobicContact CE1-CB 4.37Å; F152-N202 HydrophobicContact CG-CB 4.23Å
153A98.6Very high98.5Very high48 Ų4840.1 Ų40.140%0.39723%0.231SC..EExtended strand (participates in β ladder)trans-137.4151.6174.200000110.7V147 K148V147-A153 CarbonylContact O-C 3.58Å; V147-A153 VanDerWaalsContact O-CA 3.24Å; V147-A153 WeakPolarHBondContact O-CA 3.45Å; K148-A153 HydrophobicContact CB-CB 4.06Å; K148-A153 HydrophobicContact CD-CB 4.37Å; K148-A153 HydrophobicContact CG-CB 4.08Å
154E98.3Very high98.5Very high15 Ų1544.2 Ų44.27%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-138.3154.3166.470.3175.1-136.900111.6V147 R194 L198 R245V147-E154 HydrophobicContact CG1-CG 3.46Å; V147-E154 VanDerWaalsContact CG1-CG 3.46Å; V147-E154 PolarHBondContact N-O 2.9Å; V147-E154 PolarHBondContact O-N 3.17Å; E154-R194 WeakPolarHBondContact OE1-CD 3.3Å; E154-R194 VanDerWaalsContact OE1-CG 3.25Å; E154-R194 WeakPolarHBondContact OE1-CG 3.4Å; E154-L198 HydrophobicContact CG-CD1 4.21Å; E154-L198 HydrophobicContact CG-CD2 4.4Å; E154-R245 IonicContact OE1-CZ 3.91Å; E154-R245 IonicContact OE1-NH1 3.15Å; E154-R245 PolarHBondContact OE1-NH1 3.27Å; E154-R245 IonicContact OE1-NH2 3.56Å; E154-R245 PolarHBondContact OE1-NH2 2.87Å; E154-R245 IonicContact OE2-CZ 3.85Å; E154-R245 IonicContact OE2-NH1 3.88Å; E154-R245 PolarHBondContact OE2-NH1 2.91Å; E154-R245 IonicContact OE2-NH2 2.76Å
155P98.5Very high98.4Very high104 Ų10444.7 Ų44.768%0.67526%0.262SS*.EExtended strand (participates in β ladder)trans-65143.4-178.5-21.133.3000113.3
156I98.9Very high98.4Very high4 Ų446 Ų462%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-97.4123.5159.4-67.3175.5000106.8T122 F124 D143 Q144 G145 E146 V147 E158 K191T122-I156 HydrophobicContact CG2-CD1 4.24Å; F124-I156 HydrophobicContact CB-CD1 4.4Å; F124-I156 HydrophobicContact CB-CG2 4.34Å; F124-I156 HydrophobicContact CD1-CD1 3.81Å; F124-I156 HydrophobicContact CE1-CD1 4.5Å; F124-I156 HydrophobicContact CG-CD1 4.36Å; D143-I156 HydrophobicContact CB-CG2 3.86Å; Q144-I156 WeakPolarHBondContact CA-O 3.48Å; G145-I156 PolarHBondContact N-O 2.9Å; G145-I156 PolarHBondContact O-N 3.39Å; E146-I156 VanDerWaalsContact O-CD1 3.3Å; E146-I156 WeakPolarHBondContact O-CD1 3.05Å; V147-I156 HydrophobicContact CB-CD1 4.19Å; V147-I156 HydrophobicContact CB-CG1 4.31Å; V147-I156 HydrophobicContact CG1-CG1 4.41Å; I156-E158 HydrophobicContact CG2-CG 3.99Å; I156-K191 HydrophobicContact CD1-CD 4.04Å; I156-K191 HydrophobicContact CD1-CG 4.36Å
157C98.8Very high98.3Very high14 Ų1445.4 Ų45.410%0.09528%0.275CS..EExtended strand (participates in β ladder)trans-154.388.6173.7-174.90000106.6V11 V16 D143V11-C157 PolarHBondContact N-O 3.43Å; V11-C157 PolarHBondContact O-SG 3.27Å; V16-C157 VanDerWaalsContact CG2-SG 3.56Å; D143-C157 VanDerWaalsContact O-CA 3.32Å; D143-C157 WeakPolarHBondContact O-CA 3.44Å
158E98.8Very high98.2Very high0 Ų046.7 Ų46.70%028%0.282CS..EExtended strand (participates in β ladder)trans-148.2157.2-168.162.3-159.9-115.400112.6F9 I10 D143 I156 K191 R194F9-E158 CarbonylContact O-C 3.52Å; F9-E158 WeakPolarHBondContact O-CA 3.43Å; F9-E158 VanDerWaalsContact O-CB 3.23Å; F9-E158 WeakPolarHBondContact O-CB 3.37Å; I10-E158 HydrophobicContact CD1-CB 4.04Å; D143-E158 HydrophobicContact CB-CG 3.94Å; D143-E158 PolarHBondContact N-O 3.38Å; D143-E158 PolarHBondContact O-N 3.12Å; I156-E158 HydrophobicContact CG2-CG 3.99Å; E158-K191 VanDerWaalsContact OE1-CE 3.29Å; E158-K191 WeakPolarHBondContact OE1-CE 3.43Å; E158-K191 WeakPolarHBondContact OE1-CG 3.47Å; E158-K191 IonicContact OE1-NZ 3.25Å; E158-K191 PolarHBondContact OE1-NZ 2.99Å; E158-R194 VanDerWaalsContact CD-NH2 3.26Å; E158-R194 IonicContact OE1-NH2 2.71Å; E158-R194 PolarHBondContact OE1-NH2 3.25Å; E158-R194 VanDerWaalsContact OE1-NH2 3.09Å; E158-R194 IonicContact OE2-CZ 2.8Å; E158-R194 IonicContact OE2-NH1 3.84Å; E158-R194 PolarHBondContact OE2-NH1 3.43Å; E158-R194 IonicContact OE2-NH2 3.64Å; E158-R194 PolarHBondContact OE2-NH2 3.14Å
159L98.8Very high98.1Very high0 Ų050.4 Ų50.40%029%0.294CS..EExtended strand (participates in β ladder)trans-118.5130.2176.5-175.576.9000108.4K8 F9 V11 L19 L23 I140 A141 L142 L161 L178 L184K8-L159 CarbonylContact C-O 3.57Å; K8-L159 WeakPolarHBondContact CA-O 3.37Å; F9-L159 HydrophobicContact CB-CB 4.29Å; F9-L159 HydrophobicContact CD2-CD2 4.44Å; F9-L159 PolarHBondContact N-O 3.12Å; F9-L159 PolarHBondContact O-N 3.36Å; V11-L159 HydrophobicContact CG2-CB 3.88Å; L19-L159 HydrophobicContact CD1-CD2 4.33Å; L19-L159 HydrophobicContact CD2-CB 4.49Å; L19-L159 HydrophobicContact CD2-CD1 4.35Å; L19-L159 HydrophobicContact CD2-CD2 4.36Å; L23-L159 HydrophobicContact CD1-CD1 3.81Å; I140-L159 HydrophobicContact CG2-CD1 3.54Å; I140-L159 HydrophobicContact CG2-CG 4.32Å; A141-L159 CarbonylContact O-C 3.58Å; A141-L159 VanDerWaalsContact O-CA 3.31Å; A141-L159 WeakPolarHBondContact O-CA 3.23Å; L142-L159 HydrophobicContact CB-CD1 4.29Å; L142-L159 HydrophobicContact CD1-CD1 4.47Å; L159-L161 HydrophobicContact CD2-CD2 4.21Å; L159-L161 HydrophobicContact CG-CD2 4.34Å; L159-L178 HydrophobicContact CD2-CD1 3.92Å; L159-L184 HydrophobicContact CD2-CD1 4.47Å; L159-L184 HydrophobicContact CD2-CD2 4.46Å
160E98.7Very high98.1Very high10 Ų1050.3 Ų50.35%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-115134.7174.7-64.6175.2171.600109.2K8 R126 I140 A141 K191K8-E160 HydrophobicContact CG-CG 4.28Å; K8-E160 VanDerWaalsContact NZ-CD 3.27Å; K8-E160 IonicContact NZ-OE1 3.93Å; K8-E160 PolarHBondContact NZ-OE1 3.22Å; R126-E160 IonicContact CZ-OE2 2.8Å; R126-E160 IonicContact NH1-OE2 3.83Å; R126-E160 IonicContact NH2-OE2 3.68Å; R126-E160 PolarHBondContact NH2-OE2 3.36Å; I140-E160 CarbonylContact C-O 3.55Å; I140-E160 WeakPolarHBondContact CA-O 3.46Å; A141-E160 HydrophobicContact CB-CB 4.33Å; A141-E160 PolarHBondContact N-O 3.16Å; A141-E160 PolarHBondContact O-N 3.27Å; E160-K191 IonicContact OE1-NZ 2.67Å; E160-K191 PolarHBondContact OE1-NZ 3.49Å; E160-K191 IonicContact OE2-NZ 3.82Å
161L98.8Very high98.1Very high0 Ų047.2 Ų47.20%026%0.261CS..EExtended strand (participates in β ladder)trans-112.393.6170.4-48.2-179.6000107.9E6 L7 F9 I138 I140 L159 V171 L174 A175 L178E6-L161 CarbonylContact C-O 3.56Å; E6-L161 VanDerWaalsContact CA-O 3.3Å; E6-L161 WeakPolarHBondContact CA-O 3.42Å; L7-L161 HydrophobicContact CB-CB 4.31Å; L7-L161 HydrophobicContact CD2-CD1 4.4Å; L7-L161 PolarHBondContact N-O 2.93Å; L7-L161 PolarHBondContact O-N 2.84Å; F9-L161 HydrophobicContact CE2-CD1 3.95Å; F9-L161 HydrophobicContact CE2-CG 4.39Å; I138-L161 HydrophobicContact CG2-CB 4.19Å; I140-L161 HydrophobicContact CB-CD2 4.32Å; I140-L161 HydrophobicContact CG1-CD2 3.96Å; I140-L161 HydrophobicContact CG2-CD2 3.91Å; L159-L161 HydrophobicContact CD2-CD2 4.21Å; L159-L161 HydrophobicContact CG-CD2 4.34Å; L161-V171 HydrophobicContact CB-CG1 3.87Å; L161-V171 HydrophobicContact CD1-CG1 4.37Å; L161-L174 HydrophobicContact CD1-CD2 4.32Å; L161-L174 HydrophobicContact CD1-CG 4.33Å; L161-L174 HydrophobicContact CD2-CD2 4.13Å; L161-A175 HydrophobicContact CD1-CB 4.02Å; L161-L178 HydrophobicContact CD1-CD1 4.05Å; L161-L178 HydrophobicContact CD2-CD1 3.83Å
162E98.6Very high98.2Very high37 Ų3738.2 Ų38.217%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-92.6126-175.8-171.9-179.9157.900111.1E6 I138 E139 L164E6-E162 HydrophobicContact CB-CB 4.29Å; E6-E162 HydrophobicContact CB-CG 4.43Å; I138-E162 CarbonylContact C-O 3.54Å; I138-E162 VanDerWaalsContact CA-O 3.25Å; I138-E162 WeakPolarHBondContact CA-O 3.24Å; I138-E162 WeakPolarHBondContact CG2-O 3.4Å; E139-E162 HydrophobicContact CB-CB 4.43Å; E139-E162 PolarHBondContact N-O 3.33Å; E139-E162 PolarHBondContact O-N 2.9Å; E162-L164 HydrophobicContact CG-CD2 4.45Å; E162-L164 PolarHBondContact O-N 2.57Å
163L98.5Very high98.1Very high20 Ų2039 Ų3911%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-81.9101.4176.3-176.867.3000110.1I5 I138 S165 V171I5-L163 HydrophobicContact CB-CB 4.24Å; I5-L163 HydrophobicContact CD1-CD2 4.41Å; I5-L163 HydrophobicContact CG2-CB 4.4Å; I5-L163 HydrophobicContact CG2-CD2 4.47Å; I5-L163 PolarHBondContact O-N 3.39Å; I138-L163 HydrophobicContact CG1-CD1 4.26Å; L163-S165 WeakPolarHBondContact CD1-O 3.2Å; L163-V171 HydrophobicContact CB-CG2 3.8Å; L163-V171 HydrophobicContact CD1-CG2 4.04Å; L163-V171 HydrophobicContact CG-CG2 4.37Å
164L97.8Very high98.1Very high86 Ų8637.1 Ų37.145%0.4521%0.206SC..EExtended strand (participates in β ladder)trans-71.7-38.7176.1-56.6-176.9000111.7L130 Q137 E139 E162L130-L164 HydrophobicContact CD1-CD1 3.61Å; Q137-L164 HydrophobicContact CB-CB 4.18Å; Q137-L164 PolarHBondContact O-N 2.84Å; E139-L164 HydrophobicContact CB-CD1 4.19Å; E139-L164 HydrophobicContact CB-CD2 4.12Å; E139-L164 HydrophobicContact CB-CG 4.19Å; E162-L164 HydrophobicContact CG-CD2 4.45Å; E162-L164 PolarHBondContact O-N 2.57Å
165S97.7Very high98.1Very high63 Ų6336.4 Ų36.444%0.44120%0.202SC..EExtended strand (participates in β ladder)trans-162.8150.7173.759.10000111.1S136 Q137 L163S136-S165 CarbonylContact C-O 3.52Å; S136-S165 VanDerWaalsContact CA-O 3.27Å; S136-S165 WeakPolarHBondContact CA-O 3.34Å; S136-S165 WeakPolarHBondContact CB-O 3.35Å; Q137-S165 PolarHBondContact N-O 3.41Å; Q137-S165 PolarHBondContact O-N 3.32Å; L163-S165 WeakPolarHBondContact CD1-O 3.2Å
166G97.4Very high98.1Very high59 Ų5934.5 Ų34.561%0.60819%0.187SC*.SBendtrans115.2-139.4176.500000113.2S136S136-G166 WeakPolarHBondContact OG-CA 3.19Å
167D96.6Very high98Very high63 Ų6338.8 Ų38.834%0.33721%0.207SC..  trans-117.4134.6-170.1-168-57.2000111.6S136 R169 A170S136-D167 PolarHBondContact OG-N 3.38Å; D167-R169 PolarHBondContact O-N 3.33Å; D167-R169 VanDerWaalsContact OD1-CB 3.23Å; D167-R169 WeakPolarHBondContact OD1-CB 3.45Å; D167-R169 VanDerWaalsContact OD1-CG 3.26Å; D167-R169 WeakPolarHBondContact OD1-CG 3.26Å; D167-R169 IonicContact OD1-CZ 2.93Å; D167-R169 PolarHBondContact OD1-N 2.89Å; D167-R169 IonicContact OD1-NE 3.6Å; D167-R169 PolarHBondContact OD1-NE 2.78Å; D167-R169 IonicContact OD2-CZ 3.87Å; D167-R169 VanDerWaalsContact OD2-CZ 3.31Å; D167-R169 IonicContact OD2-NE 3.07Å; D167-R169 PolarHBondContact OD2-NE 3.49Å; D167-R169 VanDerWaalsContact OD2-NE 3.14Å; D167-R169 IonicContact OD2-NH2 3.05Å; D167-R169 PolarHBondContact OD2-NH2 2.85Å; D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.3Å; D167-A170 PolarHBondContact O-N 3.03Å
168T96.9Very high98Very high26 Ų2638.1 Ų38.116%0.1620%0.202CC..Hα-helixtrans-54.1-27.8177.4-52.40000113.1I5 L78 A170 V171 L172 V318I5-T168 HydrophobicContact CG2-CG2 4.32Å; L78-T168 HydrophobicContact CD1-CG2 4.17Å; L78-T168 HydrophobicContact CD2-CG2 3.85Å; T168-A170 PolarHBondContact O-N 3.36Å; T168-V171 WeakPolarHBondContact O-CB 3.49Å; T168-V171 PolarHBondContact O-N 3.47Å; T168-V171 VanDerWaalsContact O-N 3.12Å; T168-L172 PolarHBondContact O-N 2.97Å; T168-L172 VanDerWaalsContact O-N 3.16Å; T168-V318 HydrophobicContact CG2-CG1 4.06Å
169R97Very high98Very high163 Ų16338.2 Ų38.262%0.61520%0.202SC*.Hα-helixtrans-60.1-30.5174.1-68.2176.7-69.9-176.42.6112.8D167 L172 K173D167-R169 PolarHBondContact O-N 3.33Å; D167-R169 VanDerWaalsContact OD1-CB 3.23Å; D167-R169 WeakPolarHBondContact OD1-CB 3.45Å; D167-R169 VanDerWaalsContact OD1-CG 3.26Å; D167-R169 WeakPolarHBondContact OD1-CG 3.26Å; D167-R169 IonicContact OD1-CZ 2.93Å; D167-R169 PolarHBondContact OD1-N 2.89Å; D167-R169 IonicContact OD1-NE 3.6Å; D167-R169 PolarHBondContact OD1-NE 2.78Å; D167-R169 IonicContact OD2-CZ 3.87Å; D167-R169 VanDerWaalsContact OD2-CZ 3.31Å; D167-R169 IonicContact OD2-NE 3.07Å; D167-R169 PolarHBondContact OD2-NE 3.49Å; D167-R169 VanDerWaalsContact OD2-NE 3.14Å; D167-R169 IonicContact OD2-NH2 3.05Å; D167-R169 PolarHBondContact OD2-NH2 2.85Å; R169-L172 PolarHBondContact O-N 3.22Å; R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 PolarHBondContact O-N 2.99Å
170A98.1Very high97.8Very high4 Ų441.9 Ų41.93%0.03323%0.228CC..Hα-helixtrans-67-38.2175.800000111.7V133 S136 I138 D167 T168 K173 L174V133-A170 HydrophobicContact CB-CB 4.12Å; V133-A170 HydrophobicContact CG1-CB 4Å; S136-A170 WeakPolarHBondContact OG-CB 3.34Å; I138-A170 HydrophobicContact CD1-CB 4.14Å; D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.3Å; D167-A170 PolarHBondContact O-N 3.03Å; T168-A170 PolarHBondContact O-N 3.36Å; A170-K173 PolarHBondContact O-N 3.47Å; A170-L174 PolarHBondContact O-N 2.96Å
171V98.5Very high97.6Very high0 Ų043.9 Ų43.90%024%0.238CC..Hα-helixtrans-62.6-46.3173.6-178.60000110.8L7 I138 L161 L163 T168 K173 L174 A175L7-V171 HydrophobicContact CB-CG1 3.59Å; L7-V171 HydrophobicContact CD2-CG1 4.17Å; I138-V171 HydrophobicContact CD1-CG2 4.08Å; I138-V171 HydrophobicContact CG1-CG2 4.25Å; L161-V171 HydrophobicContact CB-CG1 3.87Å; L161-V171 HydrophobicContact CD1-CG1 4.37Å; L163-V171 HydrophobicContact CB-CG2 3.8Å; L163-V171 HydrophobicContact CD1-CG2 4.04Å; L163-V171 HydrophobicContact CG-CG2 4.37Å; T168-V171 WeakPolarHBondContact O-CB 3.49Å; T168-V171 PolarHBondContact O-N 3.47Å; T168-V171 VanDerWaalsContact O-N 3.12Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.3Å; V171-L174 PolarHBondContact O-N 2.68Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.08Å
172L98Very high97.6Very high1 Ų148.2 Ų48.21%0.00526%0.264CS..Hα-helixtrans-65.3-37178.1-64.7168.1000112L7 T168 R169 A175 N176 L311 T314 E315 V318L7-L172 HydrophobicContact CD2-CD2 4.35Å; T168-L172 PolarHBondContact O-N 2.97Å; T168-L172 VanDerWaalsContact O-N 3.16Å; R169-L172 PolarHBondContact O-N 3.22Å; L172-A175 PolarHBondContact O-N 2.89Å; L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 2.94Å; L172-L311 HydrophobicContact CD2-CD1 4.15Å; L172-T314 HydrophobicContact CD2-CG2 4.36Å; L172-E315 HydrophobicContact CD1-CB 4.23Å; L172-E315 HydrophobicContact CD1-CG 4.15Å; L172-E315 HydrophobicContact CD2-CB 4.41Å; L172-V318 HydrophobicContact CD1-CB 4.39Å; L172-V318 HydrophobicContact CD1-CG1 4.23Å
173K97.9Very high97.6Very high103 Ų10346.5 Ų46.545%0.44826%0.257SS..Hα-helixtrans-63.4-46174.3-179.7177.2174.6179.70111.8V133 D134 R169 A170 V171 A175 N176 Q177V133-K173 HydrophobicContact CG1-CD 4.01Å; V133-K173 HydrophobicContact CG1-CG 4.44Å; D134-K173 IonicContact OD1-NZ 2.68Å; D134-K173 PolarHBondContact OD1-NZ 2.58Å; D134-K173 WeakPolarHBondContact OD2-CD 3.34Å; D134-K173 IonicContact OD2-NZ 2.8Å; D134-K173 PolarHBondContact OD2-NZ 3.35Å; R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 PolarHBondContact O-N 2.99Å; A170-K173 PolarHBondContact O-N 3.47Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.3Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-N176 WeakPolarHBondContact O-CB 3.26Å; K173-N176 PolarHBondContact O-N 3.37Å; K173-Q177 PolarHBondContact O-N 3.21Å
174L98.2Very high97.6Very high7 Ų745.7 Ų45.74%0.03725%0.252CS..Hα-helixtrans-61.9-43.8175178.760.9000111.2L26 V131 I138 I140 L161 A170 V171 N176 Q177 L178L26-L174 HydrophobicContact CD1-CD1 4.29Å; V131-L174 HydrophobicContact CG2-CD2 3.89Å; I138-L174 HydrophobicContact CB-CD2 4.45Å; I138-L174 HydrophobicContact CD1-CB 4.41Å; I138-L174 HydrophobicContact CD1-CD2 4.11Å; I138-L174 HydrophobicContact CG2-CD2 3.93Å; I140-L174 HydrophobicContact CD1-CD2 3.91Å; I140-L174 HydrophobicContact CG1-CD2 4.07Å; L161-L174 HydrophobicContact CD1-CD2 4.32Å; L161-L174 HydrophobicContact CD1-CG 4.33Å; L161-L174 HydrophobicContact CD2-CD2 4.13Å; A170-L174 PolarHBondContact O-N 2.96Å; V171-L174 PolarHBondContact O-N 2.68Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.14Å; L174-Q177 WeakPolarHBondContact O-CB 3.22Å; L174-Q177 PolarHBondContact O-N 3.03Å; L174-Q177 VanDerWaalsContact O-N 3.09Å; L174-L178 HydrophobicContact CG-CD1 4.29Å; L174-L178 PolarHBondContact O-N 2.89Å
175A98.5Very high97.6Very high0 Ų042.1 Ų42.10%023%0.233CC..Hα-helixtrans-58.1-38.9176.200000113.1L7 F9 L161 V171 L172 K173 Q177 L178 V179 L311L7-A175 HydrophobicContact CD2-CB 3.51Å; F9-A175 HydrophobicContact CE2-CB 4.21Å; F9-A175 HydrophobicContact CZ-CB 3.88Å; L161-A175 HydrophobicContact CD1-CB 4.02Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.08Å; L172-A175 PolarHBondContact O-N 2.89Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-Q177 PolarHBondContact O-N 3.31Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-V179 WeakPolarHBondContact O-CG2 3.45Å; A175-V179 PolarHBondContact O-N 2.98Å; A175-L311 VanDerWaalsContact C-CD2 3.49Å; A175-L311 HydrophobicContact CB-CD1 3.86Å; A175-L311 HydrophobicContact CB-CD2 3.81Å
176N97.7Very high97.6Very high65 Ų6539.4 Ų39.435%0.34821%0.213SC..Hα-helixtrans-59.9-35.7176.8-88.1-73000112L172 K173 L174 L311 E315L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 2.94Å; K173-N176 WeakPolarHBondContact O-CB 3.26Å; K173-N176 PolarHBondContact O-N 3.37Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.14Å; N176-L311 HydrophobicContact CB-CD2 4.17Å; N176-E315 PolarHBondContact ND2-OE2 2.91Å
177Q97.3Very high97.7Very high94 Ų9436.6 Ų36.644%0.43918%0.184SC..Hα-helixtrans-68.8-38.3173.7-177.7179.4-15.200111.9K173 L174 A175 S180K173-Q177 PolarHBondContact O-N 3.21Å; L174-Q177 WeakPolarHBondContact O-CB 3.22Å; L174-Q177 PolarHBondContact O-N 3.03Å; L174-Q177 VanDerWaalsContact O-N 3.09Å; A175-Q177 PolarHBondContact O-N 3.31Å; Q177-S180 PolarHBondContact O-OG 3.4Å
178L98.2Very high97.7Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-76.5-33.3-174.9-62.9175.9000113.4L23 L159 L161 L174 A175 S180 Q181 L184L23-L178 HydrophobicContact CD2-CD2 3.79Å; L159-L178 HydrophobicContact CD2-CD1 3.92Å; L161-L178 HydrophobicContact CD1-CD1 4.05Å; L161-L178 HydrophobicContact CD2-CD1 3.83Å; L174-L178 HydrophobicContact CG-CD1 4.29Å; L174-L178 PolarHBondContact O-N 2.89Å; A175-L178 PolarHBondContact O-N 3.49Å; L178-S180 PolarHBondContact O-N 3.36Å; L178-Q181 WeakPolarHBondContact O-CG 3.23Å; L178-L184 HydrophobicContact CB-CD1 3.88Å
179V97.9Very high97.7Very high1 Ų135.9 Ų35.91%0.00618%0.182CC..THydrogen-bonded Turntrans-77.90.8-179.9-60.20000114F9 A175 Q181 A307 M308 L311F9-V179 HydrophobicContact CE1-CG1 3.81Å; F9-V179 HydrophobicContact CZ-CG1 4.2Å; A175-V179 WeakPolarHBondContact O-CG2 3.45Å; A175-V179 PolarHBondContact O-N 2.98Å; V179-Q181 PolarHBondContact O-N 3.18Å; V179-A307 HydrophobicContact CB-CB 3.94Å; V179-A307 HydrophobicContact CG1-CB 4.11Å; V179-M308 HydrophobicContact CG2-CG 4.09Å; V179-L311 HydrophobicContact CG1-CD2 4.21Å; V179-L311 HydrophobicContact CG2-CD2 3.63Å
180S95Very high97.7Very high78 Ų7828.6 Ų28.655%0.54516%0.156SC..THydrogen-bonded Turntrans-69.8-14.1173.672.40000113.1Q177 L178Q177-S180 PolarHBondContact O-OG 3.4Å; L178-S180 PolarHBondContact O-N 3.36Å
181Q95.3Very high97.7Very high51 Ų5129 Ų2924%0.23816%0.157CC..SBendtrans-111.1156.8170.463.8-175.41100110.6H22 L178 V179H22-Q181 VanDerWaalsContact ND1-CD 3.33Å; H22-Q181 PolarHBondContact ND1-NE2 2.61Å; H22-Q181 VanDerWaalsContact ND1-NE2 3.15Å; H22-Q181 PolarHBondContact ND1-OE1 2.92Å; L178-Q181 WeakPolarHBondContact O-CG 3.23Å; V179-Q181 PolarHBondContact O-N 3.18Å
182T97.9Very high97.7Very high92 Ų9229.7 Ų29.756%0.56416%0.162SC*.SBendtrans-73.9167.7178.761.70000111.6Y302T182-Y302 WeakPolarHBondContact CA-O 3.32Å; T182-Y302 WeakPolarHBondContact CB-O 3.34Å
183G98.3Very high97.6Very high1 Ų130.4 Ų30.41%0.0117%0.168CC..SBendtrans99-0.5172.300000115.2V11 N12 Y302V11-G183 CarbonylContact C-O 3.5Å; V11-G183 WeakPolarHBondContact CA-O 3.3Å; N12-G183 PolarHBondContact N-O 3.44Å; G183-Y302 PolarHBondContact N-O 3.23Å; G183-Y302 VanDerWaalsContact O-CD1 3.31Å; G183-Y302 WeakPolarHBondContact O-CD1 3.42Å; G183-Y302 WeakPolarHBondContact O-CE1 3.36Å
184L98.8Very high97.7Very high3 Ų325.8 Ų25.82%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-111.3136173-59.1-177.9000111F9 V11 L19 L159 L178F9-L184 HydrophobicContact CB-CB 4.36Å; F9-L184 HydrophobicContact CB-CD2 4.22Å; F9-L184 HydrophobicContact CD1-CB 3.98Å; F9-L184 HydrophobicContact CG-CB 4.37Å; V11-L184 HydrophobicContact CB-CD2 4.47Å; V11-L184 HydrophobicContact CG1-CD2 4.47Å; V11-L184 HydrophobicContact CG2-CD2 3.77Å; L19-L184 HydrophobicContact CD1-CD1 4.36Å; L19-L184 HydrophobicContact CD1-CD2 4.29Å; L19-L184 HydrophobicContact CD2-CD2 3.9Å; L159-L184 HydrophobicContact CD2-CD1 4.47Å; L159-L184 HydrophobicContact CD2-CD2 4.46Å; L178-L184 HydrophobicContact CB-CD1 3.88Å
185R98.6Very high97.7Very high11 Ų1125.5 Ų25.54%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-135.9143.9166.871.6-177.2-178.282.3-6.8109.5F9 I10 G187 E241 V301 Y302F9-R185 CarbonylContact C-O 3.54Å; F9-R185 WeakPolarHBondContact CA-O 3.35Å; I10-R185 HydrophobicContact CB-CG 3.96Å; I10-R185 PolarHBondContact N-O 3.35Å; I10-R185 PolarHBondContact O-N 3.02Å; I10-R185 VanDerWaalsContact O-N 3.1Å; R185-G187 PolarHBondContact O-N 3.43Å; R185-E241 IonicContact CZ-OE2 2.78Å; R185-E241 IonicContact NH1-OE2 2.74Å; R185-E241 PolarHBondContact NH1-OE2 3.49Å; R185-E241 VanDerWaalsContact NH2-CD 3.27Å; R185-E241 IonicContact NH2-OE1 2.67Å; R185-E241 PolarHBondContact NH2-OE1 3.4Å; R185-E241 VanDerWaalsContact NH2-OE1 3.11Å; R185-E241 IonicContact NH2-OE2 2.81Å; R185-E241 PolarHBondContact NH2-OE2 2.84Å; R185-V301 HydrophobicContact CB-CG1 4.07Å; R185-V301 VanDerWaalsContact CD-CG1 3.41Å; R185-V301 HydrophobicContact CG-CG1 4.36Å; R185-Y302 HydrophobicContact CB-CD1 4.08Å; R185-Y302 HydrophobicContact CB-CE1 3.98Å; R185-Y302 HydrophobicContact CG-CD1 4.16Å; R185-Y302 HydrophobicContact CG-CE1 3.56Å; R185-Y302 PolarHBondContact NE-OH 2.98Å; R185-Y302 VanDerWaalsContact NE-OH 3.15Å
186Q98.7Very high97.7Very high5 Ų526 Ų262%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-64.8131.2177.4-75.2178.35500111L7 K8 F9 Q237 K310 L311 T314L7-Q186 HydrophobicContact CD1-CG 4.41Å; K8-Q186 WeakPolarHBondContact O-CA 3.42Å; F9-Q186 HydrophobicContact CD1-CG 4.11Å; F9-Q186 HydrophobicContact CE1-CG 3.71Å; F9-Q186 HydrophobicContact CZ-CG 4.39Å; Q186-Q237 PolarHBondContact O-NE2 2.78Å; Q186-Q237 PolarHBondContact O-OE1 3.36Å; Q186-K310 HydrophobicContact CB-CG 4.33Å; Q186-K310 HydrophobicContact CG-CG 4.35Å; Q186-K310 VanDerWaalsContact NE2-C 3.29Å; Q186-K310 VanDerWaalsContact NE2-CG 3.31Å; Q186-K310 PolarHBondContact NE2-O 3.29Å; Q186-L311 VanDerWaalsContact NE2-N 3.18Å; Q186-T314 PolarHBondContact NE2-OG1 2.98Å; Q186-T314 PolarHBondContact OE1-OG1 3.37Å
187G98.1Very high97.7Very high0 Ų024.5 Ų24.50%014%0.139CC..  trans-107.7119.4-179.300000112.3K8 H79 R185K8-G187 PolarHBondContact O-N 3.4Å; H79-G187 PolarHBondContact NE2-O 2.99Å; R185-G187 PolarHBondContact O-N 3.43Å
188S97.1Very high97.8Very high33 Ų3320 Ų2023%0.23112%0.118CC..  trans-89.4-14.6177.4-50.80000113.6G76 H79 Q237G76-S188 PolarHBondContact O-OG 3.05Å; H79-S188 PolarHBondContact CE1-O 3.17Å; S188-Q237 VanDerWaalsContact OG-CB 3.25Å; S188-Q237 WeakPolarHBondContact OG-CB 3.31Å; S188-Q237 VanDerWaalsContact OG-CG 3.3Å; S188-Q237 WeakPolarHBondContact OG-CG 3.27Å; S188-Q237 PolarHBondContact OG-NE2 3.03Å
189L97Very high97.8Very high41 Ų4121.5 Ų21.522%0.21513%0.131CC..  trans-91.8105.9-177.8-60.7-175.6000110.3R194 E241L189-R194 HydrophobicContact CB-CG 4.18Å; L189-R194 HydrophobicContact CD1-CG 4.47Å; L189-R194 PolarHBondContact O-NE 3.31Å; L189-R194 PolarHBondContact O-NH2 3.17Å; L189-E241 HydrophobicContact CD1-CG 3.83Å
190S96.9Very high97.8Very high11 Ų1126.5 Ų26.58%0.07715%0.154CC..  trans-58.3155.2169.461.70000111.5R81 A192 A193 R194R81-S190 VanDerWaalsContact NH1-CB 3.26Å; R81-S190 PolarHBondContact NH1-OG 3.32Å; R81-S190 PolarHBondContact NH2-OG 3.37Å; S190-A192 PolarHBondContact O-N 3.14Å; S190-A193 WeakPolarHBondContact O-CB 3.32Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact OG-N 2.87Å; S190-R194 PolarHBondContact O-N 3.26Å; S190-R194 VanDerWaalsContact O-N 3.12Å
191K98Very high97.9Very high13 Ų1324.3 Ų24.36%0.05714%0.144CC..Hα-helixtrans-51.4-41.6175.6-61.9178.6175.170.80111.8T122 F124 D143 I156 E158 E160 R194 G195T122-K191 HydrophobicContact CG2-CB 4.13Å; F124-K191 HydrophobicContact CE1-CD 3.95Å; F124-K191 HydrophobicContact CZ-CD 4.25Å; D143-K191 VanDerWaalsContact OD2-CE 3.25Å; D143-K191 WeakPolarHBondContact OD2-CE 3.15Å; D143-K191 IonicContact OD2-NZ 3.61Å; D143-K191 PolarHBondContact OD2-NZ 3.38Å; I156-K191 HydrophobicContact CD1-CD 4.04Å; I156-K191 HydrophobicContact CD1-CG 4.36Å; E158-K191 VanDerWaalsContact OE1-CE 3.29Å; E158-K191 WeakPolarHBondContact OE1-CE 3.43Å; E158-K191 WeakPolarHBondContact OE1-CG 3.47Å; E158-K191 IonicContact OE1-NZ 3.25Å; E158-K191 PolarHBondContact OE1-NZ 2.99Å; E160-K191 IonicContact OE1-NZ 2.67Å; E160-K191 PolarHBondContact OE1-NZ 3.49Å; E160-K191 IonicContact OE2-NZ 3.82Å; K191-R194 PolarHBondContact O-N 3.24Å; K191-G195 PolarHBondContact O-N 3.38Å
192A97.6Very high98.1Very high13 Ų1324.9 Ų24.911%0.10715%0.149CC..Hα-helixtrans-59.7-46.4174.900000113Y40 F120 S190 R194 G195 Y196Y40-A192 HydrophobicContact CD1-CB 4.19Å; Y40-A192 HydrophobicContact CE1-CB 3.74Å; F120-A192 HydrophobicContact CZ-CB 4.14Å; F120-A192 WeakPolarHBondContact CZ-O 3.4Å; S190-A192 PolarHBondContact O-N 3.14Å; A192-R194 VanDerWaalsContact C-N 3.28Å; A192-R194 PolarHBondContact O-N 3.47Å; A192-G195 PolarHBondContact O-N 2.7Å; A192-G195 VanDerWaalsContact O-N 3.14Å; A192-Y196 HydrophobicContact CB-CD2 4.49Å; A192-Y196 HydrophobicContact CB-CE2 4.41Å; A192-Y196 WeakPolarHBondContact O-CD2 3.35Å; A192-Y196 PolarHBondContact O-N 3.17Å
193A97.5Very high98.1Very high16 Ų1623.5 Ų23.513%0.13214%0.142CC..Hα-helixtrans-61.5-35.1178.100000112.7S190 H197S190-A193 WeakPolarHBondContact O-CB 3.32Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact OG-N 2.87Å; A193-H197 PolarHBondContact O-N 3.2Å
194R98.5Very high98Very high7 Ų728.1 Ų28.13%0.02618%0.179CC..Hα-helixtrans-67.7-46.4171.7-76.2175.7-87.7162.2-2.1111.6V147 E154 E158 L189 S190 K191 A192 Y196 H197 L198V147-R194 HydrophobicContact CG1-CB 4.12Å; E154-R194 WeakPolarHBondContact OE1-CD 3.3Å; E154-R194 VanDerWaalsContact OE1-CG 3.25Å; E154-R194 WeakPolarHBondContact OE1-CG 3.4Å; E158-R194 VanDerWaalsContact CD-NH2 3.26Å; E158-R194 IonicContact OE1-NH2 2.71Å; E158-R194 PolarHBondContact OE1-NH2 3.25Å; E158-R194 VanDerWaalsContact OE1-NH2 3.09Å; E158-R194 IonicContact OE2-CZ 2.8Å; E158-R194 IonicContact OE2-NH1 3.84Å; E158-R194 PolarHBondContact OE2-NH1 3.43Å; E158-R194 IonicContact OE2-NH2 3.64Å; E158-R194 PolarHBondContact OE2-NH2 3.14Å; L189-R194 HydrophobicContact CB-CG 4.18Å; L189-R194 HydrophobicContact CD1-CG 4.47Å; L189-R194 PolarHBondContact O-NE 3.31Å; L189-R194 PolarHBondContact O-NH2 3.17Å; S190-R194 PolarHBondContact O-N 3.26Å; S190-R194 VanDerWaalsContact O-N 3.12Å; K191-R194 PolarHBondContact O-N 3.24Å; A192-R194 VanDerWaalsContact C-N 3.28Å; A192-R194 PolarHBondContact O-N 3.47Å; R194-Y196 PolarHBondContact O-N 3.03Å; R194-H197 WeakPolarHBondContact O-CB 3.25Å; R194-H197 PolarHBondContact O-N 3.34Å; R194-H197 VanDerWaalsContact O-N 3.1Å; R194-L198 WeakPolarHBondContact O-CG 3.36Å; R194-L198 PolarHBondContact O-N 3.29Å
195G98.6Very high98Very high0 Ų030.1 Ų30.10%019%0.187CC..Hα-helixtrans-58.6-45.1176.700000113.5K191 A192 H197 L198 A199K191-G195 PolarHBondContact O-N 3.38Å; A192-G195 PolarHBondContact O-N 2.7Å; A192-G195 VanDerWaalsContact O-N 3.14Å; G195-H197 VanDerWaalsContact C-N 3.29Å; G195-H197 PolarHBondContact O-N 2.59Å; G195-L198 PolarHBondContact O-N 3.38Å; G195-A199 WeakPolarHBondContact O-CB 3.34Å; G195-A199 PolarHBondContact O-N 3.4Å
196Y98.5Very high98Very high10 Ų1037 Ų374%0.03922%0.22CC..Hα-helixtrans-57.4-41.6172.5-79.5-60.8000112.6E42 R49 M53 L119 F120 A192 R194 A199 Q200E42-Y196 HydrophobicContact CB-CE1 4.07Å; E42-Y196 HydrophobicContact CG-CE1 3.77Å; E42-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E42-Y196 VanDerWaalsContact OE2-CZ 3.24Å; E42-Y196 PolarHBondContact OE2-OH 3.5Å; R49-Y196 HydrophobicContact CB-CD1 4Å; R49-Y196 HydrophobicContact CB-CD2 4.47Å; R49-Y196 HydrophobicContact CB-CE1 3.74Å; R49-Y196 HydrophobicContact CB-CE2 4.22Å; R49-Y196 HydrophobicContact CB-CG 4.36Å; R49-Y196 HydrophobicContact CG-CD1 4.18Å; R49-Y196 HydrophobicContact CG-CD2 4.36Å; R49-Y196 HydrophobicContact CG-CE1 4.41Å; R49-Y196 HydrophobicContact CG-CG 4.15Å; M53-Y196 PolarHBondContact O-OH 3.32Å; L119-Y196 HydrophobicContact CD2-CD1 3.66Å; L119-Y196 HydrophobicContact CD2-CE1 3.73Å; F120-Y196 AromaticContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD2 4.13Å; F120-Y196 HydrophobicContact CE1-CE1 4.07Å; F120-Y196 HydrophobicContact CE1-CE2 4.23Å; F120-Y196 HydrophobicContact CE1-CG 4.01Å; F120-Y196 HydrophobicContact CZ-CD2 4.34Å; F120-Y196 HydrophobicContact CZ-CE2 4.4Å; A192-Y196 HydrophobicContact CB-CD2 4.49Å; A192-Y196 HydrophobicContact CB-CE2 4.41Å; A192-Y196 WeakPolarHBondContact O-CD2 3.35Å; A192-Y196 PolarHBondContact O-N 3.17Å; R194-Y196 PolarHBondContact O-N 3.03Å; Y196-A199 PolarHBondContact O-N 3.22Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 3.2Å
197H98.3Very high98Very high34 Ų3439.3 Ų39.316%0.15723%0.231CC..Hα-helixtrans-67.7-42178.6-170.491.5000112.4A193 R194 G195 A199 Q200 N202 P203 R205A193-H197 PolarHBondContact O-N 3.2Å; R194-H197 WeakPolarHBondContact O-CB 3.25Å; R194-H197 PolarHBondContact O-N 3.34Å; R194-H197 VanDerWaalsContact O-N 3.1Å; G195-H197 VanDerWaalsContact C-N 3.29Å; G195-H197 PolarHBondContact O-N 2.59Å; H197-A199 VanDerWaalsContact C-N 3.3Å; H197-A199 PolarHBondContact O-N 3.02Å; H197-Q200 PolarHBondContact O-N 3.1Å; H197-N202 PolarHBondContact CD2-OD1 2.77Å; H197-N202 VanDerWaalsContact CD2-OD1 3.29Å; H197-N202 PolarHBondContact O-N 2.9Å; H197-P203 PolarHBondContact CE1-O 3.1Å; H197-P203 PolarHBondContact NE2-O 2.98Å; H197-R205 VanDerWaalsContact CB-NH2 3.31Å; H197-R205 PolarHBondContact CD2-NH2 3.49Å; H197-R205 VanDerWaalsContact CG-CZ 3.49Å; H197-R205 PolarHBondContact ND1-NH2 3.41Å
198L98.7Very high98Very high0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-61.1-40.6174.4-66.9178.5000111.5V147 A149 F152 E154 R194 G195 Q200 G201 N202V147-L198 HydrophobicContact CB-CD1 4.48Å; V147-L198 HydrophobicContact CG1-CD1 3.96Å; V147-L198 HydrophobicContact CG2-CD1 4.18Å; V147-L198 WeakPolarHBondContact O-CD1 3.41Å; A149-L198 HydrophobicContact CB-CB 3.74Å; F152-L198 HydrophobicContact CB-CB 4.12Å; F152-L198 HydrophobicContact CB-CD2 4.08Å; E154-L198 HydrophobicContact CG-CD1 4.21Å; E154-L198 HydrophobicContact CG-CD2 4.4Å; R194-L198 WeakPolarHBondContact O-CG 3.36Å; R194-L198 PolarHBondContact O-N 3.29Å; G195-L198 PolarHBondContact O-N 3.38Å; L198-Q200 PolarHBondContact O-N 2.86Å; L198-Q200 VanDerWaalsContact O-N 3.17Å; L198-G201 PolarHBondContact O-N 2.91Å; L198-N202 HydrophobicContact CD2-CB 3.89Å; L198-N202 PolarHBondContact O-N 2.84Å
199A98.3Very high98Very high32 Ų3247.6 Ų47.626%0.26427%0.273SS..Hα-helixtrans-63.3-20.2179.600000113.8L119 A149 G195 Y196 H197 G201L119-A199 HydrophobicContact CD1-CB 3.79Å; L119-A199 HydrophobicContact CD2-CB 3.91Å; L119-A199 HydrophobicContact CG-CB 3.7Å; A149-A199 HydrophobicContact CB-CB 3.83Å; G195-A199 WeakPolarHBondContact O-CB 3.34Å; G195-A199 PolarHBondContact O-N 3.4Å; Y196-A199 PolarHBondContact O-N 3.22Å; H197-A199 VanDerWaalsContact C-N 3.3Å; H197-A199 PolarHBondContact O-N 3.02Å; A199-G201 VanDerWaalsContact C-N 3.26Å; A199-G201 PolarHBondContact O-N 2.93Å
200Q97.7Very high98Very high105 Ų10546.9 Ų46.949%0.49127%0.27SS..THydrogen-bonded Turntrans-87.413.8172.3-54.5-51-46.600113.3N46 Y196 H197 L198N46-Q200 PolarHBondContact ND2-NE2 3.33Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 3.2Å; H197-Q200 PolarHBondContact O-N 3.1Å; L198-Q200 PolarHBondContact O-N 2.86Å; L198-Q200 VanDerWaalsContact O-N 3.17Å
201G98Very high98Very high33 Ų3350.5 Ų50.534%0.3429%0.292SS..THydrogen-bonded Turntrans87.418.8-17800000114.5F152 L198 A199F152-G201 WeakPolarHBondContact CE1-O 3.39Å; L198-G201 PolarHBondContact O-N 2.91Å; A199-G201 VanDerWaalsContact C-N 3.26Å; A199-G201 PolarHBondContact O-N 2.93Å
202N98Very high98.1Very high62 Ų6250.3 Ų50.333%0.33229%0.292SS..  trans47.852.1-177.9-166.723.9000114.3F152 H197 L198F152-N202 HydrophobicContact CB-CB 4.43Å; F152-N202 HydrophobicContact CD1-CB 3.79Å; F152-N202 HydrophobicContact CE1-CB 4.37Å; F152-N202 HydrophobicContact CG-CB 4.23Å; H197-N202 PolarHBondContact CD2-OD1 2.77Å; H197-N202 VanDerWaalsContact CD2-OD1 3.29Å; H197-N202 PolarHBondContact O-N 2.9Å; L198-N202 HydrophobicContact CD2-CB 3.89Å; L198-N202 PolarHBondContact O-N 2.84Å
203P98Very high98.1Very high64 Ų6450.7 Ų50.742%0.41629%0.292SS..PPolyproline II helixtrans-61.5146.9-179.127.2-34.5000110.9H197 R205H197-P203 PolarHBondContact CE1-O 3.1Å; H197-P203 PolarHBondContact NE2-O 2.98Å; P203-R205 PolarHBondContact O-N 3.48Å
204A97.8Very high98.1Very high97 Ų9754.9 Ų54.980%0.80231%0.308SS*.PPolyproline II helixtrans-58.7131.6172.900000109.6
205R98.2Very high98.1Very high46 Ų4655.6 Ų55.617%0.17431%0.314CS..PPolyproline II helixtrans-77.5133.5177.9-67.7178.8177.783-4109.8H197 P203 L242H197-R205 VanDerWaalsContact CB-NH2 3.31Å; H197-R205 PolarHBondContact CD2-NH2 3.49Å; H197-R205 VanDerWaalsContact CG-CZ 3.49Å; H197-R205 PolarHBondContact ND1-NH2 3.41Å; P203-R205 PolarHBondContact O-N 3.48Å; R205-L242 HydrophobicContact CB-CD1 3.65Å; R205-L242 HydrophobicContact CB-CD2 4.37Å; R205-L242 HydrophobicContact CB-CG 4.04Å; R205-L242 HydrophobicContact CG-CD1 4.47Å
206E98.3Very high98Very high156 Ų15658.9 Ų58.973%0.72934%0.341SS*.PPolyproline II helixtrans-85.5151.1179.5-62.1-178171.300111.8Y238 L242E206-Y238 VanDerWaalsContact O-CE1 3.26Å; E206-Y238 WeakPolarHBondContact O-CE1 3.35Å; E206-Y238 PolarHBondContact O-OH 2.9Å; E206-L242 WeakPolarHBondContact O-CD2 3.31Å
207I98.5Very high97.8Very high52 Ų5262.6 Ų62.627%0.26737%0.373SS..PPolyproline II helixtrans-61.3140.7169.8-75.2170.6000109.3P209 L242 A249 A250 Q253I207-P209 WeakPolarHBondContact O-CD 3.28Å; I207-L242 HydrophobicContact CG1-CD2 4.18Å; I207-A249 HydrophobicContact CD1-CB 3.72Å; I207-A250 HydrophobicContact CD1-CB 4.49Å; I207-A250 HydrophobicContact CG1-CB 4.41Å; I207-Q253 HydrophobicContact CD1-CG 4.25Å; I207-Q253 HydrophobicContact CG2-CG 3.73Å
208K98.1Very high97.7Very high113 Ų11370.6 Ų70.649%0.49141%0.408SS..  trans-114.198.9178.7-71.4-178.7178.6-177.70110.1T210 Q235 Y238 H239K208-T210 PolarHBondContact O-N 2.9Å; K208-Q235 PolarHBondContact O-NE2 3.48Å; K208-Y238 HydrophobicContact CB-CD1 4.22Å; K208-Y238 HydrophobicContact CB-CE1 3.93Å; K208-Y238 HydrophobicContact CD-CD1 4.16Å; K208-Y238 HydrophobicContact CD-CE1 3.65Å; K208-Y238 HydrophobicContact CD-CE2 4.1Å; K208-Y238 WeakPolarHBondContact CE-OH 3.48Å; K208-Y238 HydrophobicContact CG-CD1 4.26Å; K208-Y238 HydrophobicContact CG-CE1 3.57Å; K208-H239 PolarHBondContact N-NE2 3.32Å; K208-H239 VanDerWaalsContact N-NE2 3.19Å; K208-H239 PolarHBondContact O-CE1 3.08Å; K208-H239 PolarHBondContact O-NE2 3.48Å
209P97Very high97.7Very high95 Ų9570.8 Ų70.862%0.61741%0.409SS*.  trans-53.8140.6173.7-24.534.3000111.1I207 T211I207-P209 WeakPolarHBondContact O-CD 3.28Å; P209-T211 PolarHBondContact O-N 2.98Å
210T98Very high97.7Very high26 Ų2671.1 Ų71.116%0.1641%0.406CS..  trans-65.3125174.5-53.90000109.5K208 L231 Q235 L260 L380K208-T210 PolarHBondContact O-N 2.9Å; T210-L231 HydrophobicContact CG2-CD2 4.02Å; T210-L231 HydrophobicContact CG2-CG 4.44Å; T210-Q235 PolarHBondContact OG1-NE2 2.9Å; T210-L260 HydrophobicContact CG2-CD2 4.03Å; T210-L380 HydrophobicContact CG2-CD1 4.25Å
211T96.8Very high97.8Very high87 Ų8766.2 Ų66.253%0.53438%0.383SS..  trans-103.6175.5175.358.80000111.2P209 L213P209-T211 PolarHBondContact O-N 2.98Å; T211-L213 PolarHBondContact O-N 3.36Å
212I98.6Very high97.8Very high9 Ų966 Ų665%0.04637%0.374CS..PPolyproline II helixtrans-57.8130.2179.4-65.4170000110.6H214 L380 A383 A391 Q392 L395I212-H214 PolarHBondContact O-CD2 3.35Å; I212-H214 PolarHBondContact O-N 3.27Å; I212-L380 WeakPolarHBondContact CA-O 3.48Å; I212-L380 HydrophobicContact CG1-CD2 4.06Å; I212-A383 HydrophobicContact CD1-CB 4.03Å; I212-A383 HydrophobicContact CG1-CB 4.27Å; I212-A383 HydrophobicContact CG2-CB 3.9Å; I212-A391 HydrophobicContact CD1-CB 3.56Å; I212-Q392 HydrophobicContact CD1-CB 4.38Å; I212-L395 HydrophobicContact CD1-CD1 4.04Å; I212-L395 HydrophobicContact CG1-CD1 3.8Å
213L98.6Very high97.8Very high21 Ų2167.6 Ų67.611%0.1138%0.379CS..PPolyproline II helixtrans-73.5119.1173.6178.567.8000110T211 V215 A227 A228 L231 L380 L381 G384T211-L213 PolarHBondContact O-N 3.36Å; L213-V215 HydrophobicContact CD2-CG2 3.84Å; L213-V215 HydrophobicContact CG-CG2 3.8Å; L213-A227 HydrophobicContact CD1-CB 4.13Å; L213-A227 HydrophobicContact CD2-CB 4.05Å; L213-A228 HydrophobicContact CD2-CB 4.06Å; L213-L231 HydrophobicContact CB-CD2 4.09Å; L213-L231 HydrophobicContact CD1-CB 4.31Å; L213-L231 HydrophobicContact CD1-CD2 4.08Å; L213-L380 PolarHBondContact N-O 3.49Å; L213-L381 HydrophobicContact CB-CD2 4.38Å; L213-L381 HydrophobicContact CD2-CD2 4.09Å; L213-G384 VanDerWaalsContact O-CA 3.24Å; L213-G384 WeakPolarHBondContact O-CA 3.34Å
214H98.1Very high97.9Very high103 Ų10364.6 Ų64.648%0.47736%0.359SS..PPolyproline II helixtrans-99.5119172-66.4-77.8000110.5I212 G384I212-H214 PolarHBondContact O-CD2 3.35Å; I212-H214 PolarHBondContact O-N 3.27Å; H214-G384 WeakPolarHBondContact ND1-CA 3.31Å; H214-G384 PolarHBondContact ND1-O 3.28Å
215V97.3Very high97.9Very high23 Ų2360 Ų6014%0.13932%0.322CS..  trans-111.6152.8178.5-166.20000109L213 A219 A227 F338L213-V215 HydrophobicContact CD2-CG2 3.84Å; L213-V215 HydrophobicContact CG-CG2 3.8Å; V215-A219 HydrophobicContact CG1-CB 3.45Å; V215-A219 VanDerWaalsContact CG1-CB 3.45Å; V215-A227 HydrophobicContact CG2-CB 4.1Å; V215-F338 HydrophobicContact CB-CD1 4.07Å; V215-F338 HydrophobicContact CB-CE1 4.2Å; V215-F338 HydrophobicContact CG1-CD1 4.35Å; V215-F338 HydrophobicContact CG2-CD1 4.02Å; V215-F338 HydrophobicContact CG2-CE1 3.65Å
216A97.3Very high97.9Very high69 Ų6959 Ų5957%0.5732%0.319SS*.  trans-53.3146.7-179.400000113.1K218 A219 Y385A216-K218 PolarHBondContact O-N 2.96Å; A216-A219 HydrophobicContact CB-CB 4.42Å; A216-A219 VanDerWaalsContact O-CB 3.26Å; A216-A219 WeakPolarHBondContact O-CB 3.23Å; A216-A219 PolarHBondContact O-N 3.34Å; A216-Y385 PolarHBondContact O-OH 3.33Å
217A94.8Very high97.9Very high87 Ų8752.6 Ų52.672%0.71929%0.292SS*.THydrogen-bonded Turntrans-54.6-31.8-17200000115.1
218K96.4Very high97.9Very high203 Ų20350.1 Ų50.188%0.88328%0.28SS*.THydrogen-bonded Turntrans-112.320.2-178.3-60.7-173.5179.9178.30112.9A216A216-K218 PolarHBondContact O-N 2.96Å
219A98.2Very high98Very high3 Ų344.8 Ų44.83%0.02526%0.257CS..  trans-64.7141.6-178.500000111.8V215 A216 Q223 F338V215-A219 HydrophobicContact CG1-CB 3.45Å; V215-A219 VanDerWaalsContact CG1-CB 3.45Å; A216-A219 HydrophobicContact CB-CB 4.42Å; A216-A219 VanDerWaalsContact O-CB 3.26Å; A216-A219 WeakPolarHBondContact O-CB 3.23Å; A216-A219 PolarHBondContact O-N 3.34Å; A219-Q223 HydrophobicContact CB-CB 3.98Å; A219-F338 WeakPolarHBondContact O-CB 3.2Å; A219-F338 PolarHBondContact O-N 3.24Å
220D98.6Very high98Very high39 Ų3943.2 Ų43.221%0.20924%0.241CC..BIsolated β-bridgetrans-80.7169.9167.56623.1000111.4E222 Q223 G224 D336 F338D220-E222 PolarHBondContact O-N 2.92Å; D220-E222 WeakPolarHBondContact OD1-CB 3.46Å; D220-E222 PolarHBondContact OD1-N 3.48Å; D220-E222 VanDerWaalsContact OD1-N 3.17Å; D220-Q223 PolarHBondContact O-N 3.07Å; D220-Q223 WeakPolarHBondContact OD1-CB 3.22Å; D220-Q223 VanDerWaalsContact OD1-CG 3.27Å; D220-Q223 WeakPolarHBondContact OD1-CG 3.39Å; D220-Q223 PolarHBondContact OD1-N 3.15Å; D220-G224 PolarHBondContact O-N 2.88Å; D220-G224 VanDerWaalsContact O-N 3.08Å; D220-D336 CarbonylContact C-O 3.52Å; D220-D336 WeakPolarHBondContact CA-O 3.29Å; D220-D336 WeakPolarHBondContact CB-O 3.45Å; D220-F338 WeakPolarHBondContact O-CB 3.23Å
221V98.8Very high98Very high2 Ų243.7 Ų43.71%0.01224%0.243CC..Hα-helixtrans-63.2-28.7-179.2-176.90000111.7G224 L225 F268 I271 K333 I334 D336 F338 F341V221-G224 PolarHBondContact O-N 3.32Å; V221-L225 PolarHBondContact O-N 3.07Å; V221-F268 HydrophobicContact CG1-CD1 3.83Å; V221-F268 HydrophobicContact CG1-CE1 3.64Å; V221-I271 HydrophobicContact CG1-CD1 3.73Å; V221-K333 WeakPolarHBondContact CG2-O 3.44Å; V221-I334 CarbonylContact C-O 3.59Å; V221-I334 WeakPolarHBondContact CA-O 3.27Å; V221-I334 HydrophobicContact CB-CG1 4.46Å; V221-I334 WeakPolarHBondContact CB-O 3.31Å; V221-I334 PolarHBondContact N-O 3.37Å; V221-D336 WeakPolarHBondContact CG2-O 3.3Å; V221-D336 PolarHBondContact N-O 3.47Å; V221-F338 HydrophobicContact CG1-CD2 4.46Å; V221-F341 HydrophobicContact CG1-CD1 4.35Å; V221-F341 HydrophobicContact CG1-CD2 4.02Å; V221-F341 HydrophobicContact CG1-CE2 4.21Å; V221-F341 HydrophobicContact CG1-CG 4.1Å; V221-F341 HydrophobicContact CG1-CZ 4.47Å; V221-F341 HydrophobicContact CG2-CB 3.65Å; V221-F341 HydrophobicContact CG2-CD2 4.15Å; V221-F341 HydrophobicContact CG2-CG 3.94Å
222E98.7Very high98.1Very high30 Ų3039.5 Ų39.514%0.1422%0.217CC..Hα-helixtrans-65.8-46.7175.6-166.7168.6-141.800111.5D220 G224 L225 E226 W322 Q323 I334D220-E222 PolarHBondContact O-N 2.92Å; D220-E222 WeakPolarHBondContact OD1-CB 3.46Å; D220-E222 PolarHBondContact OD1-N 3.48Å; D220-E222 VanDerWaalsContact OD1-N 3.17Å; E222-G224 VanDerWaalsContact C-N 3.27Å; E222-G224 PolarHBondContact O-N 3.32Å; E222-L225 WeakPolarHBondContact O-CB 3.42Å; E222-L225 PolarHBondContact O-N 3.32Å; E222-L225 VanDerWaalsContact O-N 3.09Å; E222-E226 WeakPolarHBondContact O-CG 3.46Å; E222-E226 PolarHBondContact O-N 3.3Å; E222-W322 HydrophobicContact CG-CZ2 4.19Å; E222-W322 PolarHBondContact OE1-NE1 3.15Å; E222-Q323 WeakPolarHBondContact OE1-CG 3.35Å; E222-Q323 PolarHBondContact OE1-NE2 2.57Å; E222-I334 HydrophobicContact CB-CD1 4.07Å; E222-I334 HydrophobicContact CB-CG1 3.87Å; E222-I334 HydrophobicContact CB-CG2 4.48Å; E222-I334 HydrophobicContact CG-CD1 4.09Å; E222-I334 HydrophobicContact CG-CG1 4.45Å; E222-I334 PolarHBondContact N-O 3.15Å
223Q98.6Very high98.1Very high95 Ų9539.2 Ų39.244%0.44422%0.215SC..Hα-helixtrans-61.7-35.7173.9-71.5172.4-36.800111.9A219 D220 A227A219-Q223 HydrophobicContact CB-CB 3.98Å; D220-Q223 PolarHBondContact O-N 3.07Å; D220-Q223 WeakPolarHBondContact OD1-CB 3.22Å; D220-Q223 VanDerWaalsContact OD1-CG 3.27Å; D220-Q223 WeakPolarHBondContact OD1-CG 3.39Å; D220-Q223 PolarHBondContact OD1-N 3.15Å; Q223-A227 WeakPolarHBondContact O-CB 3.32Å; Q223-A227 PolarHBondContact O-N 2.94Å
224G98.6Very high98.1Very high0 Ų040.8 Ų40.80%023%0.231CC..Hα-helixtrans-64.8-40.6171.300000113.5D220 V221 E222 A228D220-G224 PolarHBondContact O-N 2.88Å; D220-G224 VanDerWaalsContact O-N 3.08Å; V221-G224 PolarHBondContact O-N 3.32Å; E222-G224 VanDerWaalsContact C-N 3.27Å; E222-G224 PolarHBondContact O-N 3.32Å; G224-A228 WeakPolarHBondContact O-CB 3.29Å; G224-A228 PolarHBondContact O-N 3.24Å
225L98.7Very high98.1Very high2 Ų236.9 Ų36.91%0.0121%0.213CC..Hα-helixtrans-63.4-46.1174.7169.264.3000111.6V221 E222 A228 L229 T264 F268 V272 W322 I334V221-L225 PolarHBondContact O-N 3.07Å; E222-L225 WeakPolarHBondContact O-CB 3.42Å; E222-L225 PolarHBondContact O-N 3.32Å; E222-L225 VanDerWaalsContact O-N 3.09Å; L225-A228 PolarHBondContact O-N 3.49Å; L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.21Å; L225-L229 PolarHBondContact O-N 2.88Å; L225-L229 VanDerWaalsContact O-N 3.07Å; L225-T264 HydrophobicContact CD1-CG2 4.09Å; L225-F268 HydrophobicContact CB-CD1 4.02Å; L225-F268 HydrophobicContact CB-CD2 4.35Å; L225-F268 HydrophobicContact CB-CE1 3.85Å; L225-F268 HydrophobicContact CB-CE2 4.24Å; L225-F268 HydrophobicContact CB-CG 4.27Å; L225-F268 HydrophobicContact CB-CZ 3.98Å; L225-F268 HydrophobicContact CD1-CB 4.12Å; L225-F268 HydrophobicContact CD1-CD1 4.36Å; L225-F268 HydrophobicContact CD1-CD2 3.51Å; L225-F268 HydrophobicContact CD1-CE2 3.98Å; L225-F268 HydrophobicContact CD1-CG 3.75Å; L225-F268 HydrophobicContact CG-CG 4.49Å; L225-V272 HydrophobicContact CD2-CG2 3.97Å; L225-W322 HydrophobicContact CD2-CD2 3.86Å; L225-W322 HydrophobicContact CD2-CE3 4.36Å; L225-W322 HydrophobicContact CD2-CG 4.12Å; L225-W322 HydrophobicContact CD2-CZ2 4.19Å; L225-I334 HydrophobicContact CD2-CD1 4.47Å
226E98.4Very high98.2Very high23 Ų2335.8 Ų35.811%0.10721%0.207CC..Hα-helixtrans-58.7-51.6177-73.4174.1-153.100111E222 A228 L229 E230 K320 W322E222-E226 WeakPolarHBondContact O-CG 3.46Å; E222-E226 PolarHBondContact O-N 3.3Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.26Å; E226-L229 PolarHBondContact O-N 3.37Å; E226-E230 WeakPolarHBondContact O-CB 3.34Å; E226-E230 VanDerWaalsContact O-CG 3.29Å; E226-E230 WeakPolarHBondContact O-CG 3.48Å; E226-E230 PolarHBondContact O-N 3.29Å; E226-K320 IonicContact OE1-NZ 3.97Å; E226-K320 PolarHBondContact OE1-NZ 2.88Å; E226-K320 IonicContact OE2-NZ 3.69Å; E226-K320 PolarHBondContact OE2-NZ 2.82Å; E226-W322 HydrophobicContact CG-CH2 3.77Å; E226-W322 HydrophobicContact CG-CZ2 3.76Å
227A98.4Very high98.3Very high22 Ų2232.9 Ų32.918%0.18218%0.182CC..Hα-helixtrans-60.4-37.6179.100000112.6L213 V215 Q223 L231L213-A227 HydrophobicContact CD1-CB 4.13Å; L213-A227 HydrophobicContact CD2-CB 4.05Å; V215-A227 HydrophobicContact CG2-CB 4.1Å; Q223-A227 WeakPolarHBondContact O-CB 3.32Å; Q223-A227 PolarHBondContact O-N 2.94Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 PolarHBondContact O-N 3.21Å
228A98.7Very high98.4Very high1 Ų131.1 Ų31.11%0.00816%0.157CC..Hα-helixtrans-65.7-43.5176.900000112.8L213 G224 L225 E226 A232 T264 F268 L381L213-A228 HydrophobicContact CD2-CB 4.06Å; G224-A228 WeakPolarHBondContact O-CB 3.29Å; G224-A228 PolarHBondContact O-N 3.24Å; L225-A228 PolarHBondContact O-N 3.49Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.46Å; A228-T264 HydrophobicContact CB-CG2 3.7Å; A228-F268 HydrophobicContact CB-CE2 4.16Å; A228-L381 HydrophobicContact CB-CD1 4.14Å; A228-L381 HydrophobicContact CB-CD2 3.76Å; A228-L381 HydrophobicContact CB-CG 4.42Å
229L98.5Very high98.5Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-74-34.6178.3-69.2171.4000112.5L225 E226 A232 L233 V261 T264 L313 W316 L317 W322L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.21Å; L225-L229 PolarHBondContact O-N 2.88Å; L225-L229 VanDerWaalsContact O-N 3.07Å; E226-L229 PolarHBondContact O-N 3.37Å; L229-A232 PolarHBondContact O-N 3.06Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.14Å; L229-V261 HydrophobicContact CD2-CG1 4.28Å; L229-T264 HydrophobicContact CD2-CG2 3.68Å; L229-T264 HydrophobicContact CG-CG2 3.85Å; L229-L313 HydrophobicContact CD2-CD1 4.39Å; L229-W316 HydrophobicContact CD1-CE3 3.8Å; L229-W316 HydrophobicContact CD1-CH2 4.36Å; L229-W316 HydrophobicContact CD1-CZ3 3.29Å; L229-L317 HydrophobicContact CB-CD1 3.97Å; L229-L317 HydrophobicContact CB-CD2 4.17Å; L229-L317 HydrophobicContact CD1-CD1 4.41Å; L229-W322 HydrophobicContact CD1-CZ3 4.5Å
230E98Very high98.6Very high62 Ų6221.4 Ų21.429%0.2911%0.114SC..Hα-helixtrans-59.5-47.4170.8-76.8174.3-146.300111.2R73 E226 L233 A234 L317R73-E230 IonicContact CZ-OE1 2.69Å; R73-E230 IonicContact NE-OE1 3.64Å; R73-E230 IonicContact NH1-OE1 3.09Å; R73-E230 PolarHBondContact NH1-OE1 3.03Å; R73-E230 VanDerWaalsContact NH1-OE1 3.1Å; R73-E230 VanDerWaalsContact NH2-CD 3.25Å; R73-E230 IonicContact NH2-OE1 2.66Å; R73-E230 PolarHBondContact NH2-OE1 3.41Å; E226-E230 WeakPolarHBondContact O-CB 3.34Å; E226-E230 VanDerWaalsContact O-CG 3.29Å; E226-E230 WeakPolarHBondContact O-CG 3.48Å; E226-E230 PolarHBondContact O-N 3.29Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 2.84Å; E230-L317 HydrophobicContact CG-CD2 3.83Å
231L98.5Very high98.6Very high36 Ų3620 Ų2019%0.18811%0.106CC..Hα-helixtrans-59.2-49.4175175.262.3000111.3T210 L213 A227 L233 A234 Q235 L381T210-L231 HydrophobicContact CG2-CD2 4.02Å; T210-L231 HydrophobicContact CG2-CG 4.44Å; L213-L231 HydrophobicContact CB-CD2 4.09Å; L213-L231 HydrophobicContact CD1-CB 4.31Å; L213-L231 HydrophobicContact CD1-CD2 4.08Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 PolarHBondContact O-N 3.21Å; L231-L233 PolarHBondContact O-N 2.95Å; L231-A234 PolarHBondContact O-N 3.05Å; L231-Q235 HydrophobicContact CD1-CG 4Å; L231-Q235 HydrophobicContact CG-CG 4.44Å; L231-Q235 WeakPolarHBondContact O-CB 3.25Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.21Å; L231-Q235 PolarHBondContact O-N 3.16Å; L231-L381 HydrophobicContact CD2-CD2 4.18Å
232A98.7Very high98.6Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-62-43.6-178.500000112.4A228 L229 Q235 W236 L260 V261A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.46Å; L229-A232 PolarHBondContact O-N 3.06Å; A232-Q235 PolarHBondContact O-N 3.12Å; A232-W236 PolarHBondContact O-N 2.93Å; A232-L260 HydrophobicContact CB-CB 4.25Å; A232-L260 HydrophobicContact CB-CD2 3.92Å; A232-L260 HydrophobicContact CB-CG 3.88Å; A232-V261 HydrophobicContact CB-CG2 3.68Å
233L98.6Very high98.6Very high2 Ų219.3 Ų19.31%0.0110%0.102CC..Hα-helixtrans-66.4-39.8176.3179.958.1000111.8T75 L229 E230 L231 W236 Q237 K310 L313 L317T75-L233 HydrophobicContact CG2-CD2 3.85Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.14Å; E230-L233 PolarHBondContact O-N 3.31Å; L231-L233 PolarHBondContact O-N 2.95Å; L233-W236 PolarHBondContact O-N 3.24Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.37Å; L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.37Å; L233-Q237 PolarHBondContact O-N 2.94Å; L233-K310 HydrophobicContact CD1-CD 3.42Å; L233-K310 VanDerWaalsContact CD1-CD 3.42Å; L233-K310 HydrophobicContact CD1-CG 4.44Å; L233-L313 HydrophobicContact CB-CD2 4.22Å; L233-L313 HydrophobicContact CD1-CD2 3.94Å; L233-L313 HydrophobicContact CD1-CG 4.33Å; L233-L317 HydrophobicContact CD2-CD2 4.28Å
234A98.4Very high98.6Very high54 Ų5416 Ų1645%0.4469%0.089SC..Hα-helixtrans-65.1-42.7176.200000112.1E230 L231 W236 Q237 Y238E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 2.84Å; L231-A234 PolarHBondContact O-N 3.05Å; A234-W236 VanDerWaalsContact C-N 3.34Å; A234-W236 PolarHBondContact O-N 2.99Å; A234-Q237 PolarHBondContact O-N 3.25Å; A234-Y238 WeakPolarHBondContact O-CB 3.5Å; A234-Y238 PolarHBondContact O-N 3.28Å
235Q98.7Very high98.5Very high21 Ų2121.1 Ų21.110%0.09811%0.108CC..Hα-helixtrans-62.1-41.6174.2-71.8-67.396.400111K208 T210 L231 A232 H239 A257K208-Q235 PolarHBondContact O-NE2 3.48Å; T210-Q235 PolarHBondContact OG1-NE2 2.9Å; L231-Q235 HydrophobicContact CD1-CG 4Å; L231-Q235 HydrophobicContact CG-CG 4.44Å; L231-Q235 WeakPolarHBondContact O-CB 3.25Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.21Å; L231-Q235 PolarHBondContact O-N 3.16Å; A232-Q235 PolarHBondContact O-N 3.12Å; Q235-H239 PolarHBondContact NE2-CE1 3.35Å; Q235-H239 PolarHBondContact O-N 3.46Å; Q235-H239 VanDerWaalsContact O-N 3.16Å; Q235-H239 PolarHBondContact O-ND1 2.82Å; Q235-A257 HydrophobicContact CB-CB 3.94Å
236W98.7Very high98.5Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-62-52.7175.2-174.3-6.8000110.5A232 L233 A234 Y238 H239 E240 A257 I258 L284 T306 A309 K310 L313A232-W236 PolarHBondContact O-N 2.93Å; L233-W236 PolarHBondContact O-N 3.24Å; A234-W236 VanDerWaalsContact C-N 3.34Å; A234-W236 PolarHBondContact O-N 2.99Å; W236-Y238 VanDerWaalsContact C-N 3.34Å; W236-Y238 PolarHBondContact O-N 3.36Å; W236-H239 PolarHBondContact O-N 3.29Å; W236-E240 PolarHBondContact NE1-OE2 2.67Å; W236-E240 VanDerWaalsContact O-CB 3.23Å; W236-E240 WeakPolarHBondContact O-CB 3.37Å; W236-E240 PolarHBondContact O-N 3.14Å; W236-A257 HydrophobicContact CB-CB 3.7Å; W236-A257 VanDerWaalsContact N-CB 3.33Å; W236-I258 HydrophobicContact CD2-CD1 4.38Å; W236-I258 HydrophobicContact CD2-CG1 3.74Å; W236-I258 HydrophobicContact CE3-CG1 3.87Å; W236-I258 HydrophobicContact CG-CG1 4.42Å; W236-I258 HydrophobicContact CH2-CD1 4.26Å; W236-I258 HydrophobicContact CH2-CG1 4.07Å; W236-I258 HydrophobicContact CZ2-CD1 3.82Å; W236-I258 HydrophobicContact CZ2-CG1 3.95Å; W236-I258 HydrophobicContact CZ3-CG1 4.03Å; W236-L284 HydrophobicContact CH2-CD2 4.01Å; W236-L284 HydrophobicContact CZ3-CD2 3.83Å; W236-T306 HydrophobicContact CZ2-CG2 4.34Å; W236-A309 HydrophobicContact CH2-CB 4.08Å; W236-K310 HydrophobicContact CD2-CD 3.98Å; W236-K310 HydrophobicContact CE3-CD 3.97Å; W236-K310 HydrophobicContact CG-CD 4.47Å; W236-K310 VanDerWaalsContact CG-CE 3.43Å; W236-K310 HydrophobicContact CH2-CB 4.2Å; W236-K310 HydrophobicContact CH2-CD 4.34Å; W236-K310 HydrophobicContact CZ2-CB 4.38Å; W236-K310 HydrophobicContact CZ2-CD 4.35Å; W236-K310 HydrophobicContact CZ3-CD 4.15Å; W236-L313 HydrophobicContact CE3-CD2 3.98Å; W236-L313 HydrophobicContact CZ3-CD2 3.96Å
237Q98.4Very high98.5Very high9 Ų925.1 Ų25.14%0.04214%0.144CC..Hα-helixtrans-57.8-43.6-179.3-75.1-71.288.300113G76 Q186 S188 L233 A234 E241G76-Q237 PolarHBondContact O-NE2 3.07Å; Q186-Q237 PolarHBondContact O-NE2 2.78Å; Q186-Q237 PolarHBondContact O-OE1 3.36Å; S188-Q237 VanDerWaalsContact OG-CB 3.25Å; S188-Q237 WeakPolarHBondContact OG-CB 3.31Å; S188-Q237 VanDerWaalsContact OG-CG 3.3Å; S188-Q237 WeakPolarHBondContact OG-CG 3.27Å; S188-Q237 PolarHBondContact OG-NE2 3.03Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.37Å; L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.37Å; L233-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 PolarHBondContact O-N 3.25Å; Q237-E241 PolarHBondContact O-N 2.88Å; Q237-E241 VanDerWaalsContact O-N 3.11Å
238Y98.6Very high98.4Very high49 Ų4930 Ų3019%0.19217%0.167CC..Hα-helixtrans-63.4-50.5-179.5-176.4-99.9000111.5E206 K208 A234 W236 E241 L242E206-Y238 VanDerWaalsContact O-CE1 3.26Å; E206-Y238 WeakPolarHBondContact O-CE1 3.35Å; E206-Y238 PolarHBondContact O-OH 2.9Å; K208-Y238 HydrophobicContact CB-CD1 4.22Å; K208-Y238 HydrophobicContact CB-CE1 3.93Å; K208-Y238 HydrophobicContact CD-CD1 4.16Å; K208-Y238 HydrophobicContact CD-CE1 3.65Å; K208-Y238 HydrophobicContact CD-CE2 4.1Å; K208-Y238 WeakPolarHBondContact CE-OH 3.48Å; K208-Y238 HydrophobicContact CG-CD1 4.26Å; K208-Y238 HydrophobicContact CG-CE1 3.57Å; A234-Y238 WeakPolarHBondContact O-CB 3.5Å; A234-Y238 PolarHBondContact O-N 3.28Å; W236-Y238 VanDerWaalsContact C-N 3.34Å; W236-Y238 PolarHBondContact O-N 3.36Å; Y238-E241 WeakPolarHBondContact O-CB 3.32Å; Y238-E241 PolarHBondContact O-N 3.27Å; Y238-L242 HydrophobicContact CD1-CD1 4.28Å; Y238-L242 HydrophobicContact CE1-CD1 3.87Å; Y238-L242 HydrophobicContact CE1-CD2 3.87Å; Y238-L242 HydrophobicContact CE2-CD1 4.13Å; Y238-L242 WeakPolarHBondContact O-CD1 3.27Å; Y238-L242 PolarHBondContact O-N 3.35Å; Y238-L242 VanDerWaalsContact O-N 3.15Å
239H98.8Very high98.4Very high1 Ų132.8 Ų32.81%0.00519%0.19CC..Hα-helixtrans-72.5-29.8-177.8-63.7106.6000112.9K208 Q235 W236 L242 W243 A250 Q253 V254K208-H239 PolarHBondContact N-NE2 3.32Å; K208-H239 VanDerWaalsContact N-NE2 3.19Å; K208-H239 PolarHBondContact O-CE1 3.08Å; K208-H239 PolarHBondContact O-NE2 3.48Å; Q235-H239 PolarHBondContact NE2-CE1 3.35Å; Q235-H239 PolarHBondContact O-N 3.46Å; Q235-H239 VanDerWaalsContact O-N 3.16Å; Q235-H239 PolarHBondContact O-ND1 2.82Å; W236-H239 PolarHBondContact O-N 3.29Å; H239-L242 PolarHBondContact O-N 2.98Å; H239-W243 VanDerWaalsContact O-CB 3.32Å; H239-W243 WeakPolarHBondContact O-CB 3.41Å; H239-W243 PolarHBondContact O-N 3.49Å; H239-A250 HydrophobicContact CB-CB 4.38Å; H239-A250 WeakPolarHBondContact O-CB 3.41Å; H239-Q253 HydrophobicContact CB-CB 3.85Å; H239-Q253 VanDerWaalsContact CD2-CB 3.44Å; H239-Q253 WeakPolarHBondContact CD2-CB 3.43Å; H239-V254 HydrophobicContact CB-CG2 3.85Å
240E98.8Very high98.4Very high2 Ų232.8 Ų32.81%0.00919%0.19CC..Hα-helixtrans-64.7-40.9172.5-174.5175.4101.800111.7W236 W243 V244 V254 V301 K310W236-E240 PolarHBondContact NE1-OE2 2.67Å; W236-E240 VanDerWaalsContact O-CB 3.23Å; W236-E240 WeakPolarHBondContact O-CB 3.37Å; W236-E240 PolarHBondContact O-N 3.14Å; E240-W243 PolarHBondContact O-N 2.86Å; E240-V244 WeakPolarHBondContact O-CG1 3.44Å; E240-V244 PolarHBondContact O-N 2.9Å; E240-V254 HydrophobicContact CB-CG2 4.17Å; E240-V301 HydrophobicContact CG-CB 4.29Å; E240-V301 HydrophobicContact CG-CG1 3.56Å; E240-V301 HydrophobicContact CG-CG2 3.73Å; E240-K310 IonicContact OE1-NZ 2.68Å; E240-K310 PolarHBondContact OE1-NZ 3.06Å; E240-K310 IonicContact OE2-NZ 3.96Å; E240-K310 PolarHBondContact OE2-NZ 3.33Å
241E98.7Very high98.4Very high10 Ų1032.5 Ų32.55%0.04719%0.187CC..Hα-helixtrans-62.4-41.7173.9-172.272-149.500111.8R185 L189 Q237 Y238 R245R185-E241 IonicContact CZ-OE2 2.78Å; R185-E241 IonicContact NH1-OE2 2.74Å; R185-E241 PolarHBondContact NH1-OE2 3.49Å; R185-E241 VanDerWaalsContact NH2-CD 3.27Å; R185-E241 IonicContact NH2-OE1 2.67Å; R185-E241 PolarHBondContact NH2-OE1 3.4Å; R185-E241 VanDerWaalsContact NH2-OE1 3.11Å; R185-E241 IonicContact NH2-OE2 2.81Å; R185-E241 PolarHBondContact NH2-OE2 2.84Å; L189-E241 HydrophobicContact CD1-CG 3.83Å; Q237-E241 PolarHBondContact O-N 2.88Å; Q237-E241 VanDerWaalsContact O-N 3.11Å; Y238-E241 WeakPolarHBondContact O-CB 3.32Å; Y238-E241 PolarHBondContact O-N 3.27Å; E241-R245 WeakPolarHBondContact O-CB 3.32Å; E241-R245 WeakPolarHBondContact O-CD 3.24Å; E241-R245 WeakPolarHBondContact O-CG 3.17Å; E241-R245 PolarHBondContact O-N 2.91Å; E241-R245 IonicContact OE1-CZ 2.9Å; E241-R245 IonicContact OE1-NE 3.63Å; E241-R245 PolarHBondContact OE1-NE 3.47Å; E241-R245 IonicContact OE1-NH2 2.68Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å; E241-R245 VanDerWaalsContact OE1-NH2 3.08Å
242L98.6Very high98.4Very high7 Ų736.6 Ų36.64%0.03721%0.206CC..Hα-helixtrans-64.8-44.6174.7-94.463.5000111.6R205 E206 I207 Y238 H239 R245 G246 N247 A250R205-L242 HydrophobicContact CB-CD1 3.65Å; R205-L242 HydrophobicContact CB-CD2 4.37Å; R205-L242 HydrophobicContact CB-CG 4.04Å; R205-L242 HydrophobicContact CG-CD1 4.47Å; E206-L242 WeakPolarHBondContact O-CD2 3.31Å; I207-L242 HydrophobicContact CG1-CD2 4.18Å; Y238-L242 HydrophobicContact CD1-CD1 4.28Å; Y238-L242 HydrophobicContact CE1-CD1 3.87Å; Y238-L242 HydrophobicContact CE1-CD2 3.87Å; Y238-L242 HydrophobicContact CE2-CD1 4.13Å; Y238-L242 WeakPolarHBondContact O-CD1 3.27Å; Y238-L242 PolarHBondContact O-N 3.35Å; Y238-L242 VanDerWaalsContact O-N 3.15Å; H239-L242 PolarHBondContact O-N 2.98Å; L242-R245 CarbonylContact O-C 3.55Å; L242-R245 PolarHBondContact O-N 3.45Å; L242-G246 PolarHBondContact O-N 3.43Å; L242-N247 HydrophobicContact CB-CB 4.22Å; L242-N247 WeakPolarHBondContact O-CB 3.44Å; L242-N247 PolarHBondContact O-N 3.3Å; L242-A250 HydrophobicContact CB-CB 3.78Å
243W98.7Very high98.3Very high9 Ų938.6 Ų38.63%0.03422%0.215CC..Hα-helixtrans-64.7-48.6-176.5-176.129.8000111.7H239 E240 R245 G246 A250 K251 V254 I291 A297 A300 V301H239-W243 VanDerWaalsContact O-CB 3.32Å; H239-W243 WeakPolarHBondContact O-CB 3.41Å; H239-W243 PolarHBondContact O-N 3.49Å; E240-W243 PolarHBondContact O-N 2.86Å; W243-R245 PolarHBondContact O-N 3.47Å; W243-G246 PolarHBondContact O-N 2.87Å; W243-A250 HydrophobicContact CB-CB 4Å; W243-K251 HydrophobicContact CD2-CB 4.09Å; W243-K251 HydrophobicContact CD2-CG 4.39Å; W243-K251 HydrophobicContact CG-CB 4.33Å; W243-K251 HydrophobicContact CH2-CD 4.33Å; W243-K251 HydrophobicContact CH2-CG 4.1Å; W243-K251 HydrophobicContact CZ2-CB 4.15Å; W243-K251 HydrophobicContact CZ2-CD 3.71Å; W243-K251 HydrophobicContact CZ2-CG 3.72Å; W243-V254 HydrophobicContact CE3-CG2 4.23Å; W243-I291 HydrophobicContact CH2-CB 4.42Å; W243-I291 HydrophobicContact CH2-CG1 4.33Å; W243-I291 HydrophobicContact CH2-CG2 3.8Å; W243-I291 HydrophobicContact CZ3-CG1 4.12Å; W243-I291 HydrophobicContact CZ3-CG2 4.01Å; W243-A297 HydrophobicContact CD2-CB 3.88Å; W243-A297 HydrophobicContact CG-CB 3.99Å; W243-A297 HydrophobicContact CZ2-CB 4.03Å; W243-A300 HydrophobicContact CH2-CB 3.49Å; W243-A300 VanDerWaalsContact CH2-CB 3.49Å; W243-A300 HydrophobicContact CZ2-CB 4.37Å; W243-A300 HydrophobicContact CZ3-CB 3.97Å; W243-V301 HydrophobicContact CD2-CG2 4.47Å; W243-V301 HydrophobicContact CE3-CG2 3.65Å; W243-V301 HydrophobicContact CZ3-CG2 3.81Å
244V98.3Very high98.3Very high27 Ų2738.5 Ų38.516%0.16422%0.215CC..Hα-helixtrans-66.4-21.3178.377.20000112.6E240 G246 V298 V301 Y302E240-V244 WeakPolarHBondContact O-CG1 3.44Å; E240-V244 PolarHBondContact O-N 2.9Å; V244-G246 VanDerWaalsContact C-N 3.32Å; V244-V298 HydrophobicContact CG2-CG2 4.19Å; V244-V301 HydrophobicContact CB-CG1 4.44Å; V244-V301 HydrophobicContact CB-CG2 4.43Å; V244-V301 HydrophobicContact CG2-CB 4.46Å; V244-V301 HydrophobicContact CG2-CG1 4.44Å; V244-Y302 HydrophobicContact CG2-CE2 4.03Å
245R98Very high98.3Very high107 Ų10738.6 Ų38.640%0.40421%0.207SC..THydrogen-bonded Turntrans-88.58.9173.1-70.5178.7178.5-102.76114.1E154 E241 L242 W243E154-R245 IonicContact OE1-CZ 3.91Å; E154-R245 IonicContact OE1-NH1 3.15Å; E154-R245 PolarHBondContact OE1-NH1 3.27Å; E154-R245 IonicContact OE1-NH2 3.56Å; E154-R245 PolarHBondContact OE1-NH2 2.87Å; E154-R245 IonicContact OE2-CZ 3.85Å; E154-R245 IonicContact OE2-NH1 3.88Å; E154-R245 PolarHBondContact OE2-NH1 2.91Å; E154-R245 IonicContact OE2-NH2 2.76Å; E241-R245 WeakPolarHBondContact O-CB 3.32Å; E241-R245 WeakPolarHBondContact O-CD 3.24Å; E241-R245 WeakPolarHBondContact O-CG 3.17Å; E241-R245 PolarHBondContact O-N 2.91Å; E241-R245 IonicContact OE1-CZ 2.9Å; E241-R245 IonicContact OE1-NE 3.63Å; E241-R245 PolarHBondContact OE1-NE 3.47Å; E241-R245 IonicContact OE1-NH2 2.68Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å; E241-R245 VanDerWaalsContact OE1-NH2 3.08Å; L242-R245 CarbonylContact O-C 3.55Å; L242-R245 PolarHBondContact O-N 3.45Å; W243-R245 PolarHBondContact O-N 3.47Å
246G97.9Very high98.3Very high57 Ų5739.3 Ų39.359%0.58822%0.217SC*.THydrogen-bonded Turntrans99.79.6169.700000115.8L242 W243 V244 D248L242-G246 PolarHBondContact O-N 3.43Å; W243-G246 PolarHBondContact O-N 2.87Å; V244-G246 VanDerWaalsContact C-N 3.32Å; G246-D248 PolarHBondContact O-N 3.36Å
247N98.1Very high98.3Very high51 Ų5139.4 Ų39.427%0.27322%0.217SC..  trans-87.591.4169.5-172.4-19.9000110.3L242 A249 A250L242-N247 HydrophobicContact CB-CB 4.22Å; L242-N247 WeakPolarHBondContact O-CB 3.44Å; L242-N247 PolarHBondContact O-N 3.3Å; N247-A249 PolarHBondContact O-N 3.01Å; N247-A249 WeakPolarHBondContact OD1-CB 3.3Å; N247-A249 PolarHBondContact OD1-N 3.49Å; N247-A250 HydrophobicContact CB-CB 4.38Å; N247-A250 VanDerWaalsContact O-CB 3.27Å; N247-A250 WeakPolarHBondContact O-CB 3.35Å; N247-A250 PolarHBondContact O-N 2.89Å
248D97.9Very high98.3Very high126 Ų12639 Ų3967%0.67422%0.215SC*.THydrogen-bonded Turntrans-61.1-29.3-177-71.6-28.8000113.8G246 A250 K251G246-D248 PolarHBondContact O-N 3.36Å; D248-A250 PolarHBondContact O-N 2.85Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.33Å
249A97.5Very high98.3Very high59 Ų5938 Ų3849%0.48822%0.216SC..THydrogen-bonded Turntrans-65.7-21.7176.700000112.4I207 N247 K251I207-A249 HydrophobicContact CD1-CB 3.72Å; N247-A249 PolarHBondContact O-N 3.01Å; N247-A249 WeakPolarHBondContact OD1-CB 3.3Å; N247-A249 PolarHBondContact OD1-N 3.49Å; A249-K251 PolarHBondContact O-N 2.96Å
250A98.4Very high98.3Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-70.5-17.8177.400000113I207 H239 L242 W243 N247 D248 E252 Q253 V254I207-A250 HydrophobicContact CD1-CB 4.49Å; I207-A250 HydrophobicContact CG1-CB 4.41Å; H239-A250 HydrophobicContact CB-CB 4.38Å; H239-A250 WeakPolarHBondContact O-CB 3.41Å; L242-A250 HydrophobicContact CB-CB 3.78Å; W243-A250 HydrophobicContact CB-CB 4Å; N247-A250 HydrophobicContact CB-CB 4.38Å; N247-A250 VanDerWaalsContact O-CB 3.27Å; N247-A250 WeakPolarHBondContact O-CB 3.35Å; N247-A250 PolarHBondContact O-N 2.89Å; D248-A250 PolarHBondContact O-N 2.85Å; A250-E252 VanDerWaalsContact C-N 3.3Å; A250-E252 PolarHBondContact O-N 3.47Å; A250-Q253 PolarHBondContact O-N 2.87Å; A250-V254 WeakPolarHBondContact O-CG2 3.45Å; A250-V254 PolarHBondContact O-N 2.98Å
251K98.4Very high98.3Very high55 Ų5537.9 Ų37.924%0.23922%0.215CC..Hα-helixtrans-55.3-43.7175-177.4179.8179.1173.80112.3W243 D248 A249 Q253 V254 L255 I291W243-K251 HydrophobicContact CD2-CB 4.09Å; W243-K251 HydrophobicContact CD2-CG 4.39Å; W243-K251 HydrophobicContact CG-CB 4.33Å; W243-K251 HydrophobicContact CH2-CD 4.33Å; W243-K251 HydrophobicContact CH2-CG 4.1Å; W243-K251 HydrophobicContact CZ2-CB 4.15Å; W243-K251 HydrophobicContact CZ2-CD 3.71Å; W243-K251 HydrophobicContact CZ2-CG 3.72Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.33Å; A249-K251 PolarHBondContact O-N 2.96Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.47Å; K251-V254 PolarHBondContact O-N 3.13Å; K251-L255 PolarHBondContact O-N 2.91Å; K251-I291 WeakPolarHBondContact CE-O 3.12Å; K251-I291 HydrophobicContact CG-CG2 4.13Å; K251-I291 PolarHBondContact NZ-O 2.97Å
252E97.4Very high98.3Very high122 Ų12239.4 Ų39.457%0.5722%0.221SC*.Hα-helixtrans-61.8-39.6177.7-174.7-178.4168.600111A250 L255 A256A250-E252 VanDerWaalsContact C-N 3.3Å; A250-E252 PolarHBondContact O-N 3.47Å; E252-L255 PolarHBondContact O-N 3.08Å; E252-A256 WeakPolarHBondContact O-CB 3.3Å; E252-A256 PolarHBondContact O-N 3Å
253Q98.4Very high98.3Very high43 Ų4339.8 Ų39.820%0.20122%0.222CC..Hα-helixtrans-73.4-29.9-178.9-54.1-56.2-47.800112.7I207 H239 A250 K251 A256 A257I207-Q253 HydrophobicContact CD1-CG 4.25Å; I207-Q253 HydrophobicContact CG2-CG 3.73Å; H239-Q253 HydrophobicContact CB-CB 3.85Å; H239-Q253 VanDerWaalsContact CD2-CB 3.44Å; H239-Q253 WeakPolarHBondContact CD2-CB 3.43Å; A250-Q253 PolarHBondContact O-N 2.87Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.47Å; Q253-A256 PolarHBondContact O-N 2.83Å; Q253-A257 WeakPolarHBondContact O-CB 3.25Å; Q253-A257 PolarHBondContact O-N 3.39Å
254V98.7Very high98.4Very high0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-61.2-49.1168.6171.60000110.4H239 E240 W243 A250 K251 A256 A257 I258 I291H239-V254 HydrophobicContact CB-CG2 3.85Å; E240-V254 HydrophobicContact CB-CG2 4.17Å; W243-V254 HydrophobicContact CE3-CG2 4.23Å; A250-V254 WeakPolarHBondContact O-CG2 3.45Å; A250-V254 PolarHBondContact O-N 2.98Å; K251-V254 PolarHBondContact O-N 3.13Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.18Å; V254-A257 PolarHBondContact O-N 3.37Å; V254-I258 HydrophobicContact CG1-CD1 4.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.27Å; V254-I258 PolarHBondContact O-N 3.46Å; V254-I258 VanDerWaalsContact O-N 3.08Å; V254-I291 HydrophobicContact CG1-CD1 3.79Å
255L98.4Very high98.4Very high55 Ų5539 Ų3929%0.28822%0.218SC..Hα-helixtrans-63.7-39.4176.7-69.4173.7000111.8K251 E252 A257 I258 S259 E288 I291K251-L255 PolarHBondContact O-N 2.91Å; E252-L255 PolarHBondContact O-N 3.08Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.86Å; L255-I258 PolarHBondContact O-N 3.06Å; L255-S259 WeakPolarHBondContact O-CB 3.49Å; L255-S259 PolarHBondContact O-N 3.02Å; L255-E288 HydrophobicContact CD2-CB 4.48Å; L255-E288 HydrophobicContact CD2-CG 4.32Å; L255-I291 HydrophobicContact CD1-CG2 4.21Å; L255-I291 HydrophobicContact CD2-CB 4.06Å; L255-I291 HydrophobicContact CD2-CD1 4.4Å; L255-I291 HydrophobicContact CD2-CG2 3.67Å; L255-I291 HydrophobicContact CG-CG2 3.87Å
256A98.4Very high98.4Very high37 Ų3739.3 Ų39.331%0.30623%0.225SC..Hα-helixtrans-61.8-40.5175.200000112E252 Q253 V254 S259 L260E252-A256 WeakPolarHBondContact O-CB 3.3Å; E252-A256 PolarHBondContact O-N 3Å; Q253-A256 PolarHBondContact O-N 2.83Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.18Å; A256-S259 VanDerWaalsContact O-CB 3.31Å; A256-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 PolarHBondContact O-N 3.37Å; A256-L260 PolarHBondContact O-N 3.2Å
257A98.8Very high98.4Very high1 Ų136.9 Ų36.91%0.00820%0.199CC..Hα-helixtrans-66.6-39.7176.200000112.5Q235 W236 Q253 V254 L255 S259 L260 V261Q235-A257 HydrophobicContact CB-CB 3.94Å; W236-A257 HydrophobicContact CB-CB 3.7Å; W236-A257 VanDerWaalsContact N-CB 3.33Å; Q253-A257 WeakPolarHBondContact O-CB 3.25Å; Q253-A257 PolarHBondContact O-N 3.39Å; V254-A257 PolarHBondContact O-N 3.37Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.86Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-V261 WeakPolarHBondContact O-CG2 3.23Å; A257-V261 PolarHBondContact O-N 3.22Å; A257-V261 VanDerWaalsContact O-N 3.14Å
258I98.7Very high98.5Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-63.4-41.1172.8-63.6167.1000110.6W236 V254 L255 L260 V261 R262 L284 E288 I291W236-I258 HydrophobicContact CD2-CD1 4.38Å; W236-I258 HydrophobicContact CD2-CG1 3.74Å; W236-I258 HydrophobicContact CE3-CG1 3.87Å; W236-I258 HydrophobicContact CG-CG1 4.42Å; W236-I258 HydrophobicContact CH2-CD1 4.26Å; W236-I258 HydrophobicContact CH2-CG1 4.07Å; W236-I258 HydrophobicContact CZ2-CD1 3.82Å; W236-I258 HydrophobicContact CZ2-CG1 3.95Å; W236-I258 HydrophobicContact CZ3-CG1 4.03Å; V254-I258 HydrophobicContact CG1-CD1 4.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.27Å; V254-I258 PolarHBondContact O-N 3.46Å; V254-I258 VanDerWaalsContact O-N 3.08Å; L255-I258 PolarHBondContact O-N 3.06Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.81Å; I258-V261 WeakPolarHBondContact O-CB 3.44Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.17Å; I258-R262 PolarHBondContact O-N 2.81Å; I258-L284 HydrophobicContact CG2-CB 4.25Å; I258-L284 HydrophobicContact CG2-CD1 4.45Å; I258-L284 HydrophobicContact CG2-CD2 4.03Å; I258-L284 HydrophobicContact CG2-CG 4.46Å; I258-E288 HydrophobicContact CD1-CG 4.41Å; I258-E288 HydrophobicContact CG2-CG 3.8Å; I258-E288 VanDerWaalsContact CG2-OE1 3.3Å; I258-E288 WeakPolarHBondContact CG2-OE1 3.44Å; I258-I291 HydrophobicContact CD1-CD1 3.78Å
259S98.4Very high98.5Very high28 Ų2830.5 Ų30.520%0.19617%0.173CC..Hα-helixtrans-59.2-43.4173.9-167.10000111.6L255 A256 A257 V261 R262 H263L255-S259 WeakPolarHBondContact O-CB 3.49Å; L255-S259 PolarHBondContact O-N 3.02Å; A256-S259 VanDerWaalsContact O-CB 3.31Å; A256-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 PolarHBondContact O-N 3.37Å; A257-S259 VanDerWaalsContact C-N 3.32Å; S259-V261 VanDerWaalsContact C-N 3.29Å; S259-V261 PolarHBondContact O-N 2.67Å; S259-R262 CarbonylContact O-C 3.5Å; S259-R262 WeakPolarHBondContact O-CA 3.37Å; S259-R262 WeakPolarHBondContact O-CB 3.26Å; S259-R262 PolarHBondContact O-N 3.09Å; S259-H263 PolarHBondContact O-N 2.94Å; S259-H263 PolarHBondContact O-ND1 3.17Å; S259-H263 PolarHBondContact OG-CE1 3.37Å
260L98.8Very high98.5Very high1 Ų130.6 Ų30.61%0.00518%0.18CC..Hα-helixtrans-59.6-36.6175.5-176.961.3000112.2T210 A232 A256 A257 I258 H263 T264 D377 L381T210-L260 HydrophobicContact CG2-CD2 4.03Å; A232-L260 HydrophobicContact CB-CB 4.25Å; A232-L260 HydrophobicContact CB-CD2 3.92Å; A232-L260 HydrophobicContact CB-CG 3.88Å; A256-L260 PolarHBondContact O-N 3.2Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.01Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.81Å; L260-H263 PolarHBondContact O-N 2.86Å; L260-T264 WeakPolarHBondContact O-CB 3.4Å; L260-T264 PolarHBondContact O-N 2.98Å; L260-T264 PolarHBondContact O-OG1 2.9Å; L260-D377 HydrophobicContact CD1-CB 3.69Å; L260-L381 HydrophobicContact CD1-CD1 3.94Å; L260-L381 HydrophobicContact CD1-CD2 4.19Å; L260-L381 HydrophobicContact CD1-CG 4.11Å
261V98.8Very high98.5Very high0 Ų031.2 Ų31.20%018%0.184CC..Hα-helixtrans-60.9-46.8171.9178.20000110.4L229 A232 A257 I258 S259 H263 T264 L265 L284 L313L229-V261 HydrophobicContact CD2-CG1 4.28Å; A232-V261 HydrophobicContact CB-CG2 3.68Å; A257-V261 WeakPolarHBondContact O-CG2 3.23Å; A257-V261 PolarHBondContact O-N 3.22Å; A257-V261 VanDerWaalsContact O-N 3.14Å; I258-V261 WeakPolarHBondContact O-CB 3.44Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.17Å; S259-V261 VanDerWaalsContact C-N 3.29Å; S259-V261 PolarHBondContact O-N 2.67Å; V261-H263 PolarHBondContact O-N 2.88Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.4Å; V261-L265 HydrophobicContact CG1-CD1 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.12Å; V261-L265 PolarHBondContact O-N 3.01Å; V261-L284 HydrophobicContact CB-CD1 4.36Å; V261-L284 HydrophobicContact CG1-CD1 3.87Å; V261-L313 HydrophobicContact CG1-CD1 3.88Å; V261-L313 HydrophobicContact CG1-CD2 4.2Å; V261-L313 HydrophobicContact CG2-CD2 3.57Å
262R98.8Very high98.5Very high42 Ų4229 Ų2916%0.15817%0.174CC..Hα-helixtrans-62.9-43.1178.2-63-175.8177.2-76.214.3111.7I258 S259 L265 M266 R281 L284 T285 E288I258-R262 PolarHBondContact O-N 2.81Å; S259-R262 CarbonylContact O-C 3.5Å; S259-R262 WeakPolarHBondContact O-CA 3.37Å; S259-R262 WeakPolarHBondContact O-CB 3.26Å; S259-R262 PolarHBondContact O-N 3.09Å; R262-L265 PolarHBondContact O-N 3.03Å; R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.39Å; R262-R281 PolarHBondContact NH1-O 3.21Å; R262-R281 PolarHBondContact NH2-O 3.38Å; R262-L284 HydrophobicContact CG-CD1 4.17Å; R262-L284 VanDerWaalsContact NH2-C 3.26Å; R262-T285 PolarHBondContact NH2-OG1 3.37Å; R262-E288 IonicContact CZ-OE1 3.31Å; R262-E288 IonicContact CZ-OE2 2.58Å; R262-E288 IonicContact NE-OE1 3.11Å; R262-E288 PolarHBondContact NE-OE1 3.47Å; R262-E288 IonicContact NE-OE2 2.79Å; R262-E288 PolarHBondContact NE-OE2 3.02Å; R262-E288 IonicContact NH2-OE1 3.17Å; R262-E288 IonicContact NH2-OE2 2.65Å; R262-E288 PolarHBondContact NH2-OE2 2.68Å
263H98.8Very high98.5Very high16 Ų1625.1 Ų25.17%0.07416%0.16CC..Hα-helixtrans-66.6-38178.8-61.7158.4000112S259 L260 V261 M266 L267 R374 D377S259-H263 PolarHBondContact O-N 2.94Å; S259-H263 PolarHBondContact O-ND1 3.17Å; S259-H263 PolarHBondContact OG-CE1 3.37Å; L260-H263 PolarHBondContact O-N 2.86Å; V261-H263 PolarHBondContact O-N 2.88Å; H263-M266 PolarHBondContact O-N 3.24Å; H263-L267 WeakPolarHBondContact O-CB 3.28Å; H263-L267 PolarHBondContact O-N 3.07Å; H263-R374 HydrophobicContact CB-CG 4.12Å; H263-R374 WeakPolarHBondContact CD2-CG 3.44Å; H263-R374 WeakPolarHBondContact CE1-CA 3.48Å; H263-R374 PolarHBondContact CE1-N 2.87Å; H263-R374 WeakPolarHBondContact NE2-CB 3.36Å; H263-D377 HydrophobicContact CB-CB 4.11Å; H263-D377 IonicContact CE1-OD2 3.26Å; H263-D377 PolarHBondContact CE1-OD2 3.48Å; H263-D377 IonicContact CG-OD2 2.84Å; H263-D377 IonicContact ND1-OD2 2.8Å; H263-D377 PolarHBondContact ND1-OD2 3.28Å
264T98.8Very high98.5Very high0 Ų032 Ų320%018%0.184CC..Hα-helixtrans-58-51.4170.1-570000110.6L225 A228 L229 L260 V261 M266 L267 F268 L381L225-T264 HydrophobicContact CD1-CG2 4.09Å; A228-T264 HydrophobicContact CB-CG2 3.7Å; L229-T264 HydrophobicContact CD2-CG2 3.68Å; L229-T264 HydrophobicContact CG-CG2 3.85Å; L260-T264 WeakPolarHBondContact O-CB 3.4Å; L260-T264 PolarHBondContact O-N 2.98Å; L260-T264 PolarHBondContact O-OG1 2.9Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.4Å; T264-M266 PolarHBondContact O-N 3.15Å; T264-L267 PolarHBondContact O-N 2.89Å; T264-L267 VanDerWaalsContact O-N 3.13Å; T264-F268 HydrophobicContact CG2-CD2 3.77Å; T264-F268 HydrophobicContact CG2-CE2 3.81Å; T264-F268 VanDerWaalsContact O-CD2 3.26Å; T264-F268 WeakPolarHBondContact O-CD2 3.13Å; T264-F268 PolarHBondContact O-N 3.44Å; T264-F268 VanDerWaalsContact O-N 3.09Å; T264-L381 HydrophobicContact CG2-CD1 4.5Å; T264-L381 VanDerWaalsContact OG1-CD1 3.3Å; T264-L381 WeakPolarHBondContact OG1-CD1 3.4Å
265L98.7Very high98.5Very high20 Ų2038.9 Ų38.911%0.10521%0.214CC..Hα-helixtrans-58.8-33.6177.3-67.8171.8000113V261 R262 G269 L280 R281 W316V261-L265 HydrophobicContact CG1-CD1 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.12Å; V261-L265 PolarHBondContact O-N 3.01Å; R262-L265 PolarHBondContact O-N 3.03Å; L265-G269 PolarHBondContact O-N 3.33Å; L265-L280 HydrophobicContact CD1-CD2 4.3Å; L265-R281 HydrophobicContact CD1-CG 3.86Å; L265-W316 HydrophobicContact CD2-CH2 4.02Å; L265-W316 HydrophobicContact CD2-CZ2 4.28Å; L265-W316 HydrophobicContact CD2-CZ3 4.46Å
266M98.5Very high98.5Very high113 Ų11336.8 Ų36.856%0.55720%0.204SC*.Hα-helixtrans-71.7-45174.7-69-177.1-168.800112.1R262 H263 T264 F268 G269 R374R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.39Å; H263-M266 PolarHBondContact O-N 3.24Å; T264-M266 PolarHBondContact O-N 3.15Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 2.92Å; M266-G269 PolarHBondContact O-N 2.93Å; M266-G269 VanDerWaalsContact O-N 3.07Å; M266-R374 VanDerWaalsContact SD-CD 3.5Å
267L98.7Very high98.5Very high6 Ų635.3 Ų35.33%0.03119%0.192CC..Hα-helixtrans-57.1-46.3-179.6173.658.7000111.3H263 T264 G269 F341 H345 L381 L382H263-L267 WeakPolarHBondContact O-CB 3.28Å; H263-L267 PolarHBondContact O-N 3.07Å; T264-L267 PolarHBondContact O-N 2.89Å; T264-L267 VanDerWaalsContact O-N 3.13Å; L267-G269 VanDerWaalsContact C-N 3.32Å; L267-F341 HydrophobicContact CD1-CE1 4.19Å; L267-F341 HydrophobicContact CD1-CZ 4.2Å; L267-F341 HydrophobicContact CG-CE1 4.26Å; L267-F341 HydrophobicContact CG-CZ 4.29Å; L267-H345 HydrophobicContact CD1-CB 3.97Å; L267-H345 WeakPolarHBondContact CD1-ND1 3.25Å; L267-L381 HydrophobicContact CD2-CB 4.12Å; L267-L381 HydrophobicContact CD2-CD1 4.14Å; L267-L382 HydrophobicContact CD1-CD1 3.97Å; L267-L382 HydrophobicContact CD1-CD2 4.34Å; L267-L382 HydrophobicContact CD1-CG 4.49Å; L267-L382 HydrophobicContact CD2-CD1 4.34Å; L267-L382 HydrophobicContact CD2-CD2 3.93Å; L267-L382 HydrophobicContact CD2-CG 4.05Å
268F98.7Very high98.5Very high4 Ų439 Ų392%0.01821%0.214CC..G310 helixtrans-86.81.5178.9-64.3-83.6000113.6V221 L225 A228 T264 M266 G270 I271 V272 F338 F341V221-F268 HydrophobicContact CG1-CD1 3.83Å; V221-F268 HydrophobicContact CG1-CE1 3.64Å; L225-F268 HydrophobicContact CB-CD1 4.02Å; L225-F268 HydrophobicContact CB-CD2 4.35Å; L225-F268 HydrophobicContact CB-CE1 3.85Å; L225-F268 HydrophobicContact CB-CE2 4.24Å; L225-F268 HydrophobicContact CB-CG 4.27Å; L225-F268 HydrophobicContact CB-CZ 3.98Å; L225-F268 HydrophobicContact CD1-CB 4.12Å; L225-F268 HydrophobicContact CD1-CD1 4.36Å; L225-F268 HydrophobicContact CD1-CD2 3.51Å; L225-F268 HydrophobicContact CD1-CE2 3.98Å; L225-F268 HydrophobicContact CD1-CG 3.75Å; L225-F268 HydrophobicContact CG-CG 4.49Å; A228-F268 HydrophobicContact CB-CE2 4.16Å; T264-F268 HydrophobicContact CG2-CD2 3.77Å; T264-F268 HydrophobicContact CG2-CE2 3.81Å; T264-F268 VanDerWaalsContact O-CD2 3.26Å; T264-F268 WeakPolarHBondContact O-CD2 3.13Å; T264-F268 PolarHBondContact O-N 3.44Å; T264-F268 VanDerWaalsContact O-N 3.09Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 2.92Å; F268-G270 PolarHBondContact O-N 2.85Å; F268-G270 VanDerWaalsContact O-N 3.08Å; F268-I271 PolarHBondContact O-N 3.37Å; F268-V272 PolarHBondContact O-N 3.47Å; F268-F338 HydrophobicContact CE1-CE2 4.03Å; F268-F338 AromaticContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CZ 4.48Å; F268-F341 HydrophobicContact CD1-CE1 4.25Å; F268-F341 AromaticContact CD1-CZ 3.95Å; F268-F341 HydrophobicContact CD1-CZ 3.95Å; F268-F341 AromaticContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CZ 4.06Å; F268-F341 HydrophobicContact CZ-CE1 4.38Å
269G98.1Very high98.5Very high38 Ų3844.7 Ų44.739%0.39224%0.241SC..G310 helixtrans-64.1-15.6-175.700000115.4L265 M266 L267 I271 V272L265-G269 PolarHBondContact O-N 3.33Å; M266-G269 PolarHBondContact O-N 2.93Å; M266-G269 VanDerWaalsContact O-N 3.07Å; L267-G269 VanDerWaalsContact C-N 3.32Å; G269-I271 PolarHBondContact O-N 3.13Å; G269-V272 WeakPolarHBondContact CA-O 3.45Å
270G97.2Very high98.5Very high62 Ų6243.7 Ų43.764%0.63923%0.233SC*.G310 helixtrans-77.2-5.4171.300000114.6F268F268-G270 PolarHBondContact O-N 2.85Å; F268-G270 VanDerWaalsContact O-N 3.08Å
271I98.5Very high98.5Very high13 Ų1345.5 Ų45.57%0.06724%0.24CC..THydrogen-bonded Turntrans-125.3-54.2179.2-59.3172.7000109.3V221 F268 G269 P273 L326 A330 K333 I334 F341V221-I271 HydrophobicContact CG1-CD1 3.73Å; F268-I271 PolarHBondContact O-N 3.37Å; G269-I271 PolarHBondContact O-N 3.13Å; I271-P273 WeakPolarHBondContact O-CD 3.4Å; I271-L326 HydrophobicContact CG2-CD2 4.4Å; I271-A330 HydrophobicContact CG2-CB 4.19Å; I271-K333 HydrophobicContact CD1-CB 3.99Å; I271-K333 HydrophobicContact CG1-CB 4.03Å; I271-K333 HydrophobicContact CG1-CD 4.19Å; I271-I334 HydrophobicContact CG2-CB 3.78Å; I271-I334 HydrophobicContact CG2-CD1 4.11Å; I271-I334 HydrophobicContact CG2-CG1 3.89Å; I271-F341 HydrophobicContact CD1-CD2 4.26Å; I271-F341 HydrophobicContact CD1-CE2 3.98Å
272V98.5Very high98.5Very high8 Ų849.5 Ų49.55%0.04826%0.261CS..SBendtrans-87.3113.4178.3-178.90000109.5L225 F268 G269 A276 W316 W322 L326L225-V272 HydrophobicContact CD2-CG2 3.97Å; F268-V272 PolarHBondContact O-N 3.47Å; G269-V272 WeakPolarHBondContact CA-O 3.45Å; V272-A276 HydrophobicContact CG1-CB 3.91Å; V272-W316 HydrophobicContact CG1-CH2 4.29Å; V272-W316 HydrophobicContact CG1-CZ2 4.17Å; V272-W322 HydrophobicContact CG1-CB 3.72Å; V272-W322 HydrophobicContact CG2-CB 3.98Å; V272-W322 HydrophobicContact CG2-CG 4.36Å; V272-L326 HydrophobicContact CG2-CD2 4.37Å
273P98.3Very high98.5Very high40 Ų4047.9 Ų47.926%0.2626%0.256SS..  trans-63.2143.3-175.9-23.234.6000112.3I271 K275 A276 F325I271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-K275 HydrophobicContact CB-CG 4Å; P273-K275 PolarHBondContact O-N 2.91Å; P273-A276 VanDerWaalsContact O-CB 3.25Å; P273-A276 WeakPolarHBondContact O-CB 3.23Å; P273-A276 PolarHBondContact O-N 2.89Å; P273-F325 HydrophobicContact CG-CB 4.31Å
274R98.4Very high98.5Very high187 Ų18747.1 Ų47.171%0.70625%0.252SS*.G310 helixtrans-52.6-28.6178.7-173.5173-176-88.42.7114.1A276 S277 R281R274-A276 VanDerWaalsContact C-N 3.28Å; R274-A276 PolarHBondContact O-N 3.43Å; R274-S277 PolarHBondContact O-N 2.97Å; R274-S277 PolarHBondContact O-OG 3.46Å; R274-R281 PolarHBondContact O-NH2 3.09Å
275K98.2Very high98.4Very high146 Ų14650.5 Ų50.564%0.63527%0.273SS*.G310 helixtrans-67.2-24.2177.463.5176178.4175.80113.8P273 S277 T278 F325P273-K275 HydrophobicContact CB-CG 4Å; P273-K275 PolarHBondContact O-N 2.91Å; K275-S277 PolarHBondContact O-N 3.44Å; K275-T278 WeakPolarHBondContact CA-OG1 3.45Å; K275-T278 PolarHBondContact O-OG1 3.39Å; K275-F325 HydrophobicContact CD-CD1 4.35Å; K275-F325 HydrophobicContact CG-CD1 4.05Å; K275-F325 HydrophobicContact CG-CE1 4.24Å
276A98.2Very high98.4Very high10 Ų1053.5 Ų53.58%0.08329%0.286CS..G310 helixtrans-67.9-18.6179.200000113.2V272 P273 R274 W316 F325V272-A276 HydrophobicContact CG1-CB 3.91Å; P273-A276 VanDerWaalsContact O-CB 3.25Å; P273-A276 WeakPolarHBondContact O-CB 3.23Å; P273-A276 PolarHBondContact O-N 2.89Å; R274-A276 VanDerWaalsContact C-N 3.28Å; R274-A276 PolarHBondContact O-N 3.43Å; A276-W316 PolarHBondContact O-NE1 3.28Å; A276-F325 HydrophobicContact CB-CB 4.02Å; A276-F325 HydrophobicContact CB-CD1 4.03Å; A276-F325 HydrophobicContact CB-CD2 3.64Å; A276-F325 HydrophobicContact CB-CE1 4.41Å; A276-F325 HydrophobicContact CB-CE2 4.05Å; A276-F325 HydrophobicContact CB-CG 3.63Å; A276-F325 HydrophobicContact CB-CZ 4.42Å
277S98.5Very high98.4Very high6 Ų648.1 Ų48.14%0.04226%0.26CS..G310 helixtrans-121.719.7-178.162.20000113.5R274 K275 R281R274-S277 PolarHBondContact O-N 2.97Å; R274-S277 PolarHBondContact O-OG 3.46Å; K275-S277 PolarHBondContact O-N 3.44Å; S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.25Å; S277-R281 PolarHBondContact O-N 3.3Å; S277-R281 PolarHBondContact O-NE 2.84Å; S277-R281 PolarHBondContact OG-NE 2.94Å; S277-R281 VanDerWaalsContact OG-NE 3.08Å
278T98.6Very high98.4Very high78 Ų7850.1 Ų50.148%0.47927%0.269SS..Hα-helixtrans-59.6-52.6-176.1-59.40000112.9K275 R281 D282K275-T278 WeakPolarHBondContact CA-OG1 3.45Å; K275-T278 PolarHBondContact O-OG1 3.39Å; T278-R281 VanDerWaalsContact CA-NH2 3.32Å; T278-R281 PolarHBondContact OG1-NH2 2.81Å; T278-D282 PolarHBondContact O-N 2.77Å
279H98.3Very high98.4Very high121 Ų12152.6 Ų52.656%0.5629%0.29SS*.Hα-helixtrans-66.1-46.2-179.6-176.651.6000111.8R281 D282 L283H279-R281 PolarHBondContact O-N 2.97Å; H279-D282 WeakPolarHBondContact O-CB 3.25Å; H279-D282 PolarHBondContact O-N 3.4Å; H279-D282 VanDerWaalsContact O-N 3.14Å; H279-L283 PolarHBondContact O-N 2.74Å
280L98.6Very high98.4Very high6 Ų652.3 Ų52.33%0.03128%0.281CS..Hα-helixtrans-52.9-52.4175.2172.959.3000111.7L265 D282 L283 L284 A312 L313 W316L265-L280 HydrophobicContact CD1-CD2 4.3Å; L280-D282 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 2.9Å; L280-L284 HydrophobicContact CD1-CD1 4.4Å; L280-L284 HydrophobicContact CD1-CD2 4.3Å; L280-L284 HydrophobicContact CD1-CG 4.13Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.91Å; L280-A312 HydrophobicContact CD1-CB 4.06Å; L280-L313 HydrophobicContact CD1-CB 3.96Å; L280-L313 HydrophobicContact CD2-CD1 4.19Å; L280-W316 HydrophobicContact CD2-CB 4.38Å; L280-W316 HydrophobicContact CD2-CD2 4.38Å; L280-W316 HydrophobicContact CD2-CG 4.17Å
281R98.7Very high98.5Very high40 Ų4049.4 Ų49.415%0.15125%0.251CS..Hα-helixtrans-63.4-29.2-178.2-75.4-176.8-6991.7-1.6113.5R262 L265 R274 S277 T278 H279 T285R262-R281 PolarHBondContact NH1-O 3.21Å; R262-R281 PolarHBondContact NH2-O 3.38Å; L265-R281 HydrophobicContact CD1-CG 3.86Å; R274-R281 PolarHBondContact O-NH2 3.09Å; S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.25Å; S277-R281 PolarHBondContact O-N 3.3Å; S277-R281 PolarHBondContact O-NE 2.84Å; S277-R281 PolarHBondContact OG-NE 2.94Å; S277-R281 VanDerWaalsContact OG-NE 3.08Å; T278-R281 VanDerWaalsContact CA-NH2 3.32Å; T278-R281 PolarHBondContact OG1-NH2 2.81Å; H279-R281 PolarHBondContact O-N 2.97Å; R281-T285 PolarHBondContact O-N 2.87Å; R281-T285 PolarHBondContact O-OG1 3.37Å
282D98.7Very high98.4Very high84 Ų8452 Ų5245%0.44927%0.274SS..Hα-helixtrans-70.4-47.3175.7-175.557.9000111T278 H279 L280 L284 T285 Q286T278-D282 PolarHBondContact O-N 2.77Å; H279-D282 WeakPolarHBondContact O-CB 3.25Å; H279-D282 PolarHBondContact O-N 3.4Å; H279-D282 VanDerWaalsContact O-N 3.14Å; L280-D282 PolarHBondContact O-N 2.9Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.5Å; D282-T285 VanDerWaalsContact O-CB 3.32Å; D282-T285 WeakPolarHBondContact O-CB 3.37Å; D282-T285 PolarHBondContact O-N 2.89Å; D282-Q286 PolarHBondContact O-N 3.34Å; D282-Q286 VanDerWaalsContact O-N 3.15Å; D282-Q286 PolarHBondContact OD2-NE2 3.34Å; D282-Q286 VanDerWaalsContact OD2-NE2 3.09Å
283L98.7Very high98.3Very high8 Ų856.2 Ų56.24%0.04230%0.304CS..Hα-helixtrans-61-40.4174.4-65.8176.5000112.3H279 L280 T285 Q286 C287 M308 A309 A312H279-L283 PolarHBondContact O-N 2.74Å; L280-L283 PolarHBondContact O-N 2.9Å; L283-T285 PolarHBondContact O-N 3.37Å; L283-Q286 PolarHBondContact O-N 3.16Å; L283-C287 WeakPolarHBondContact O-CB 3.39Å; L283-C287 PolarHBondContact O-N 2.94Å; L283-M308 HydrophobicContact CD1-CB 4.38Å; L283-M308 HydrophobicContact CD2-CB 4.27Å; L283-M308 HydrophobicContact CD2-CE 4.21Å; L283-A309 HydrophobicContact CB-CB 3.94Å; L283-A312 HydrophobicContact CD1-CB 3.55Å
284L98.7Very high98.2Very high0 Ų055.5 Ų55.50%030%0.302CS..Hα-helixtrans-58.4-36.8173.5-66.6-178.1000111.7W236 I258 V261 R262 L280 D282 C287 E288 A309W236-L284 HydrophobicContact CH2-CD2 4.01Å; W236-L284 HydrophobicContact CZ3-CD2 3.83Å; I258-L284 HydrophobicContact CG2-CB 4.25Å; I258-L284 HydrophobicContact CG2-CD1 4.45Å; I258-L284 HydrophobicContact CG2-CD2 4.03Å; I258-L284 HydrophobicContact CG2-CG 4.46Å; V261-L284 HydrophobicContact CB-CD1 4.36Å; V261-L284 HydrophobicContact CG1-CD1 3.87Å; R262-L284 HydrophobicContact CG-CD1 4.17Å; R262-L284 VanDerWaalsContact NH2-C 3.26Å; L280-L284 HydrophobicContact CD1-CD1 4.4Å; L280-L284 HydrophobicContact CD1-CD2 4.3Å; L280-L284 HydrophobicContact CD1-CG 4.13Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.91Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.5Å; L284-C287 PolarHBondContact O-N 3.29Å; L284-E288 WeakPolarHBondContact O-CB 3.3Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 3.05Å; L284-A309 HydrophobicContact CD2-CB 4.31Å
285T98.7Very high97.9Very high71 Ų7153.8 Ų53.844%0.43631%0.311SS..Hα-helixtrans-67.7-41.8179.3-57.40000111.2R262 R281 D282 L283 A289R262-T285 PolarHBondContact NH2-OG1 3.37Å; R281-T285 PolarHBondContact O-N 2.87Å; R281-T285 PolarHBondContact O-OG1 3.37Å; D282-T285 VanDerWaalsContact O-CB 3.32Å; D282-T285 WeakPolarHBondContact O-CB 3.37Å; D282-T285 PolarHBondContact O-N 2.89Å; L283-T285 PolarHBondContact O-N 3.37Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 2.89Å; T285-A289 VanDerWaalsContact O-N 3.07Å
286Q98.5Very high97.8Very high82 Ų8249 Ų4938%0.38330%0.296SS..Hα-helixtrans-64.8-44.4176.2-62.3177.346.500110.7D282 L283 A289 T290 E305D282-Q286 PolarHBondContact O-N 3.34Å; D282-Q286 VanDerWaalsContact O-N 3.15Å; D282-Q286 PolarHBondContact OD2-NE2 3.34Å; D282-Q286 VanDerWaalsContact OD2-NE2 3.09Å; L283-Q286 PolarHBondContact O-N 3.16Å; Q286-A289 PolarHBondContact O-N 2.74Å; Q286-T290 PolarHBondContact O-N 2.94Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; Q286-E305 HydrophobicContact CB-CB 4.44Å; Q286-E305 HydrophobicContact CB-CG 4.24Å
287C98.6Very high97.8Very high0 Ų049.3 Ų49.30%030%0.299CS..Hα-helixtrans-60.5-48176.2177.60000112.6L283 L284 A289 T290 I291 A309L283-C287 WeakPolarHBondContact O-CB 3.39Å; L283-C287 PolarHBondContact O-N 2.94Å; L284-C287 PolarHBondContact O-N 3.29Å; C287-A289 VanDerWaalsContact C-N 3.32Å; C287-A289 PolarHBondContact O-N 3.47Å; C287-T290 PolarHBondContact O-N 3.21Å; C287-I291 WeakPolarHBondContact O-CG1 3.3Å; C287-I291 PolarHBondContact O-N 3.42Å; C287-A309 HydrophobicContact CB-CB 3.66Å
288E98.6Very high97.8Very high48 Ų4851.6 Ų51.622%0.22431%0.313CS..Hα-helixtrans-58.3-43176.1-74.5165.5161.200111.9L255 I258 R262 L284 I291 A292L255-E288 HydrophobicContact CD2-CB 4.48Å; L255-E288 HydrophobicContact CD2-CG 4.32Å; I258-E288 HydrophobicContact CD1-CG 4.41Å; I258-E288 HydrophobicContact CG2-CG 3.8Å; I258-E288 VanDerWaalsContact CG2-OE1 3.3Å; I258-E288 WeakPolarHBondContact CG2-OE1 3.44Å; R262-E288 IonicContact CZ-OE1 3.31Å; R262-E288 IonicContact CZ-OE2 2.58Å; R262-E288 IonicContact NE-OE1 3.11Å; R262-E288 PolarHBondContact NE-OE1 3.47Å; R262-E288 IonicContact NE-OE2 2.79Å; R262-E288 PolarHBondContact NE-OE2 3.02Å; R262-E288 IonicContact NH2-OE1 3.17Å; R262-E288 IonicContact NH2-OE2 2.65Å; R262-E288 PolarHBondContact NH2-OE2 2.68Å; L284-E288 WeakPolarHBondContact O-CB 3.3Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 3.05Å; E288-I291 PolarHBondContact O-N 3.34Å; E288-A292 VanDerWaalsContact O-CB 3.3Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.95Å
289A98.4Very high97.7Very high56 Ų5652.6 Ų52.646%0.46332%0.318SS..Hα-helixtrans-62.5-47.2177.300000111.4T285 Q286 C287 I291 A292 S293T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 2.89Å; T285-A289 VanDerWaalsContact O-N 3.07Å; Q286-A289 PolarHBondContact O-N 2.74Å; C287-A289 VanDerWaalsContact C-N 3.32Å; C287-A289 PolarHBondContact O-N 3.47Å; A289-I291 PolarHBondContact O-N 2.84Å; A289-A292 PolarHBondContact O-N 2.76Å; A289-S293 PolarHBondContact O-N 3.28Å; A289-S293 PolarHBondContact O-OG 3.34Å; A289-S293 VanDerWaalsContact O-OG 3.05Å
290T98.4Very high97.7Very high33 Ų3346.9 Ų46.920%0.20229%0.292CS..Hα-helixtrans-57.8-47.9175.9-65.30000111.5Q286 C287 A292 S293 A294Q286-T290 PolarHBondContact O-N 2.94Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; C287-T290 PolarHBondContact O-N 3.21Å; T290-A292 PolarHBondContact O-N 2.84Å; T290-S293 PolarHBondContact O-N 2.9Å; T290-S293 PolarHBondContact O-OG 3.19Å; T290-A294 VanDerWaalsContact O-CB 3.3Å; T290-A294 WeakPolarHBondContact O-CB 3.47Å; T290-A294 PolarHBondContact O-N 3.34Å
291I98.3Very high97.7Very high1 Ų146.6 Ų46.61%0.00529%0.291CS..Hα-helixtrans-62.3-44.3178.3-68.7168.7000111W243 K251 V254 L255 I258 C287 E288 A289 S293 A294W243-I291 HydrophobicContact CH2-CB 4.42Å; W243-I291 HydrophobicContact CH2-CG1 4.33Å; W243-I291 HydrophobicContact CH2-CG2 3.8Å; W243-I291 HydrophobicContact CZ3-CG1 4.12Å; W243-I291 HydrophobicContact CZ3-CG2 4.01Å; K251-I291 WeakPolarHBondContact CE-O 3.12Å; K251-I291 HydrophobicContact CG-CG2 4.13Å; K251-I291 PolarHBondContact NZ-O 2.97Å; V254-I291 HydrophobicContact CG1-CD1 3.79Å; L255-I291 HydrophobicContact CD1-CG2 4.21Å; L255-I291 HydrophobicContact CD2-CB 4.06Å; L255-I291 HydrophobicContact CD2-CD1 4.4Å; L255-I291 HydrophobicContact CD2-CG2 3.67Å; L255-I291 HydrophobicContact CG-CG2 3.87Å; I258-I291 HydrophobicContact CD1-CD1 3.78Å; C287-I291 WeakPolarHBondContact O-CG1 3.3Å; C287-I291 PolarHBondContact O-N 3.42Å; E288-I291 PolarHBondContact O-N 3.34Å; A289-I291 PolarHBondContact O-N 2.84Å; I291-S293 PolarHBondContact O-N 3.11Å; I291-A294 PolarHBondContact O-N 3.28Å
292A96.6Very high97.7Very high68 Ų6845.7 Ų45.756%0.56229%0.288SS*.Hα-helixtrans-60.7-45.4-179.300000111.8E288 A289 T290E288-A292 VanDerWaalsContact O-CB 3.3Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.95Å; A289-A292 PolarHBondContact O-N 2.76Å; T290-A292 PolarHBondContact O-N 2.84Å
293S96.4Very high97.7Very high95 Ų9542.1 Ų42.166%0.66427%0.269SS*.Hα-helixtrans-84.7-5.5-179.160.20000115.2A289 T290 I291 V295A289-S293 PolarHBondContact O-N 3.28Å; A289-S293 PolarHBondContact O-OG 3.34Å; A289-S293 VanDerWaalsContact O-OG 3.05Å; T290-S293 PolarHBondContact O-N 2.9Å; T290-S293 PolarHBondContact O-OG 3.19Å; I291-S293 PolarHBondContact O-N 3.11Å; S293-V295 PolarHBondContact O-N 3.36Å
294A95.2Very high97.7Very high26 Ų2643.1 Ų43.122%0.21528%0.276CS..  trans-67.3132.1-174.100000113.4T290 I291 A300T290-A294 VanDerWaalsContact O-CB 3.3Å; T290-A294 WeakPolarHBondContact O-CB 3.47Å; T290-A294 PolarHBondContact O-N 3.34Å; I291-A294 PolarHBondContact O-N 3.28Å; A294-A300 HydrophobicContact CB-CB 3.53Å
295V93Very high97.7Very high151 Ų15146.6 Ų46.692%0.91529%0.292SS*.SBendtrans-86.7-14.2170.8-620000113.3S293S293-V295 PolarHBondContact O-N 3.36Å
296S96Very high97.7Very high45 Ų4543.4 Ų43.432%0.31527%0.272SS..  trans-143.8134.1-177.8169.40000110.4V298 T299 A300S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact O-N 3.46Å; S296-V298 PolarHBondContact OG-N 3.42Å; S296-T299 PolarHBondContact O-N 2.99Å; S296-A300 PolarHBondContact O-N 3.32Å; S296-A300 VanDerWaalsContact O-N 3.1Å
297A98Very high97.7Very high17 Ų1739.8 Ų39.814%0.1426%0.257CS..Hα-helixtrans-58.5-43.9173.700000111.3W243 T299 A300 V301W243-A297 HydrophobicContact CD2-CB 3.88Å; W243-A297 HydrophobicContact CG-CB 3.99Å; W243-A297 HydrophobicContact CZ2-CB 4.03Å; A297-T299 PolarHBondContact O-N 2.81Å; A297-A300 PolarHBondContact O-N 3.37Å; A297-V301 VanDerWaalsContact O-CB 3.31Å; A297-V301 WeakPolarHBondContact O-CB 3.44Å; A297-V301 VanDerWaalsContact O-CG2 3.26Å; A297-V301 WeakPolarHBondContact O-CG2 3.41Å; A297-V301 PolarHBondContact O-N 3.44Å
298V98.1Very high97.7Very high54 Ų5442.9 Ų42.933%0.32727%0.272SS..Hα-helixtrans-59.1-47.6179.9177.90000110.4V244 S296 A300 Y302V244-V298 HydrophobicContact CG2-CG2 4.19Å; S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact O-N 3.46Å; S296-V298 PolarHBondContact OG-N 3.42Å; V298-A300 PolarHBondContact O-N 2.95Å; V298-Y302 HydrophobicContact CG1-CD2 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 4.25Å; V298-Y302 WeakPolarHBondContact O-CB 3.49Å; V298-Y302 WeakPolarHBondContact O-CD2 2.98Å; V298-Y302 PolarHBondContact O-N 2.89Å; V298-Y302 VanDerWaalsContact O-N 3.09Å
299T97.8Very high97.7Very high98 Ų9840.6 Ų40.660%0.60126%0.261SS*.Hα-helixtrans-63.3-42.1178.8-53.80000111.9S296 A297 S303S296-T299 PolarHBondContact O-N 2.99Å; A297-T299 PolarHBondContact O-N 2.81Å; T299-S303 WeakPolarHBondContact O-CB 3.45Å; T299-S303 PolarHBondContact O-N 3.46Å
300A98.4Very high97.7Very high1 Ų138 Ų381%0.00824%0.239CC..Hα-helixtrans-68-46.4-179.200000112.8W243 A294 S296 A297 V298 S303 T306W243-A300 HydrophobicContact CH2-CB 3.49Å; W243-A300 VanDerWaalsContact CH2-CB 3.49Å; W243-A300 HydrophobicContact CZ2-CB 4.37Å; W243-A300 HydrophobicContact CZ3-CB 3.97Å; A294-A300 HydrophobicContact CB-CB 3.53Å; S296-A300 PolarHBondContact O-N 3.32Å; S296-A300 VanDerWaalsContact O-N 3.1Å; A297-A300 PolarHBondContact O-N 3.37Å; V298-A300 PolarHBondContact O-N 2.95Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 2.94Å; A300-S303 PolarHBondContact O-OG 3.06Å; A300-T306 WeakPolarHBondContact O-CB 3.43Å; A300-T306 PolarHBondContact O-OG1 2.96Å
301V98.6Very high97.7Very high1 Ų136.4 Ų36.41%0.00623%0.23CC..Hα-helixtrans-72.5-37.1-173.6170.50000111.7R185 E240 W243 V244 A297 S303R185-V301 HydrophobicContact CB-CG1 4.07Å; R185-V301 VanDerWaalsContact CD-CG1 3.41Å; R185-V301 HydrophobicContact CG-CG1 4.36Å; E240-V301 HydrophobicContact CG-CB 4.29Å; E240-V301 HydrophobicContact CG-CG1 3.56Å; E240-V301 HydrophobicContact CG-CG2 3.73Å; W243-V301 HydrophobicContact CD2-CG2 4.47Å; W243-V301 HydrophobicContact CE3-CG2 3.65Å; W243-V301 HydrophobicContact CZ3-CG2 3.81Å; V244-V301 HydrophobicContact CB-CG1 4.44Å; V244-V301 HydrophobicContact CB-CG2 4.43Å; V244-V301 HydrophobicContact CG2-CB 4.46Å; V244-V301 HydrophobicContact CG2-CG1 4.44Å; A297-V301 VanDerWaalsContact O-CB 3.31Å; A297-V301 WeakPolarHBondContact O-CB 3.44Å; A297-V301 VanDerWaalsContact O-CG2 3.26Å; A297-V301 WeakPolarHBondContact O-CG2 3.41Å; A297-V301 PolarHBondContact O-N 3.44Å; V301-S303 VanDerWaalsContact C-N 3.33Å
302Y98.7Very high97.7Very high21 Ų2137 Ų378%0.08224%0.235CC..THydrogen-bonded Turntrans-91.210177.5-70.9-71.7000114.1I10 N12 T182 G183 R185 V244 V298I10-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I10-Y302 WeakPolarHBondContact O-CE1 3.12Å; N12-Y302 HydrophobicContact CB-CD1 3.85Å; N12-Y302 HydrophobicContact CB-CD2 3.87Å; N12-Y302 HydrophobicContact CB-CE1 3.85Å; N12-Y302 HydrophobicContact CB-CE2 3.88Å; N12-Y302 HydrophobicContact CB-CG 3.84Å; T182-Y302 WeakPolarHBondContact CA-O 3.32Å; T182-Y302 WeakPolarHBondContact CB-O 3.34Å; G183-Y302 PolarHBondContact N-O 3.23Å; G183-Y302 VanDerWaalsContact O-CD1 3.31Å; G183-Y302 WeakPolarHBondContact O-CD1 3.42Å; G183-Y302 WeakPolarHBondContact O-CE1 3.36Å; R185-Y302 HydrophobicContact CB-CD1 4.08Å; R185-Y302 HydrophobicContact CB-CE1 3.98Å; R185-Y302 HydrophobicContact CG-CD1 4.16Å; R185-Y302 HydrophobicContact CG-CE1 3.56Å; R185-Y302 PolarHBondContact NE-OH 2.98Å; R185-Y302 VanDerWaalsContact NE-OH 3.15Å; V244-Y302 HydrophobicContact CG2-CE2 4.03Å; V298-Y302 HydrophobicContact CG1-CD2 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 4.25Å; V298-Y302 WeakPolarHBondContact O-CB 3.49Å; V298-Y302 WeakPolarHBondContact O-CD2 2.98Å; V298-Y302 PolarHBondContact O-N 2.89Å; V298-Y302 VanDerWaalsContact O-N 3.09Å
303S98.5Very high97.8Very high9 Ų933.8 Ų33.86%0.06321%0.208CC..SBendtrans-70.2152.3174.168.90000111.6T299 A300 V301 E305 T306 A307T299-S303 WeakPolarHBondContact O-CB 3.45Å; T299-S303 PolarHBondContact O-N 3.46Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 2.94Å; A300-S303 PolarHBondContact O-OG 3.06Å; V301-S303 VanDerWaalsContact C-N 3.33Å; S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 WeakPolarHBondContact CB-OE2 3.35Å; S303-E305 PolarHBondContact O-N 2.54Å; S303-T306 PolarHBondContact O-N 3.2Å; S303-T306 WeakPolarHBondContact OG-CB 3.27Å; S303-T306 PolarHBondContact OG-N 2.87Å; S303-T306 PolarHBondContact OG-OG1 2.92Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.21Å
304T98.3Very high97.9Very high29 Ų2929.3 Ų29.318%0.17818%0.177CC..Hα-helixtrans-62.5-36174.2-67.60000111T306 A307 M308T304-T306 PolarHBondContact O-N 3.15Å; T304-A307 PolarHBondContact O-N 2.71Å; T304-M308 HydrophobicContact CG2-CG 3.85Å; T304-M308 HydrophobicContact CG2-SD 3.43Å; T304-M308 WeakPolarHBondContact CG2-SD 3.37Å; T304-M308 VanDerWaalsContact O-CB 3.25Å; T304-M308 WeakPolarHBondContact O-CB 3.49Å; T304-M308 VanDerWaalsContact O-CG 3.23Å; T304-M308 WeakPolarHBondContact O-CG 3.09Å; T304-M308 PolarHBondContact O-N 2.97Å
305E98.5Very high98.1Very high73 Ų7331.3 Ų31.334%0.34118%0.181SC..Hα-helixtrans-60.2-46.5177.7-64.278.4-175.200111.6Q286 S303 A309Q286-E305 HydrophobicContact CB-CB 4.44Å; Q286-E305 HydrophobicContact CB-CG 4.24Å; S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 WeakPolarHBondContact CB-OE2 3.35Å; S303-E305 PolarHBondContact O-N 2.54Å; E305-A309 WeakPolarHBondContact O-CB 3.26Å; E305-A309 PolarHBondContact O-N 3.32Å; E305-A309 VanDerWaalsContact O-N 3.09Å
306T98.7Very high98.3Very high3 Ų324.9 Ų24.92%0.01814%0.141CC..Hα-helixtrans-69-44.2176.7-61.70000111.6W236 A300 S303 T304 A309 K310W236-T306 HydrophobicContact CZ2-CG2 4.34Å; A300-T306 WeakPolarHBondContact O-CB 3.43Å; A300-T306 PolarHBondContact O-OG1 2.96Å; S303-T306 PolarHBondContact O-N 3.2Å; S303-T306 WeakPolarHBondContact OG-CB 3.27Å; S303-T306 PolarHBondContact OG-N 2.87Å; S303-T306 PolarHBondContact OG-OG1 2.92Å; T304-T306 PolarHBondContact O-N 3.15Å; T306-A309 PolarHBondContact O-N 3.35Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.47Å
307A98.5Very high98.4Very high7 Ų722.9 Ų22.96%0.05813%0.127CC..Hα-helixtrans-62.9-46.5-17900000112.3V179 S303 T304 L311V179-A307 HydrophobicContact CB-CB 3.94Å; V179-A307 HydrophobicContact CG1-CB 4.11Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.21Å; T304-A307 PolarHBondContact O-N 2.71Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3.42Å
308M98.5Very high98.4Very high64 Ų6424 Ų2432%0.31513%0.131SC..Hα-helixtrans-65.2-44.9177-70.7-179.173.100111.8V179 L283 T304 K310 L311 A312V179-M308 HydrophobicContact CG2-CG 4.09Å; L283-M308 HydrophobicContact CD1-CB 4.38Å; L283-M308 HydrophobicContact CD2-CB 4.27Å; L283-M308 HydrophobicContact CD2-CE 4.21Å; T304-M308 HydrophobicContact CG2-CG 3.85Å; T304-M308 HydrophobicContact CG2-SD 3.43Å; T304-M308 WeakPolarHBondContact CG2-SD 3.37Å; T304-M308 VanDerWaalsContact O-CB 3.25Å; T304-M308 WeakPolarHBondContact O-CB 3.49Å; T304-M308 VanDerWaalsContact O-CG 3.23Å; T304-M308 WeakPolarHBondContact O-CG 3.09Å; T304-M308 PolarHBondContact O-N 2.97Å; M308-K310 PolarHBondContact O-N 3.09Å; M308-L311 PolarHBondContact O-N 2.83Å; M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.05Å; M308-A312 PolarHBondContact O-N 3.35Å
309A98.7Very high98.3Very high0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-62.2-43.3179.200000112.2W236 L283 L284 C287 E305 T306 L313W236-A309 HydrophobicContact CH2-CB 4.08Å; L283-A309 HydrophobicContact CB-CB 3.94Å; L284-A309 HydrophobicContact CD2-CB 4.31Å; C287-A309 HydrophobicContact CB-CB 3.66Å; E305-A309 WeakPolarHBondContact O-CB 3.26Å; E305-A309 PolarHBondContact O-N 3.32Å; E305-A309 VanDerWaalsContact O-N 3.09Å; T306-A309 PolarHBondContact O-N 3.35Å; A309-L313 PolarHBondContact O-N 3.46Å; A309-L313 VanDerWaalsContact O-N 3.14Å
310K98.7Very high98.3Very high2 Ų222.2 Ų22.21%0.00912%0.117CC..Hα-helixtrans-64.8-44.9175.7-172.175.660.960.20111.3Q186 L233 W236 E240 T306 M308 L313 T314Q186-K310 HydrophobicContact CB-CG 4.33Å; Q186-K310 HydrophobicContact CG-CG 4.35Å; Q186-K310 VanDerWaalsContact NE2-C 3.29Å; Q186-K310 VanDerWaalsContact NE2-CG 3.31Å; Q186-K310 PolarHBondContact NE2-O 3.29Å; L233-K310 HydrophobicContact CD1-CD 3.42Å; L233-K310 VanDerWaalsContact CD1-CD 3.42Å; L233-K310 HydrophobicContact CD1-CG 4.44Å; W236-K310 HydrophobicContact CD2-CD 3.98Å; W236-K310 HydrophobicContact CE3-CD 3.97Å; W236-K310 HydrophobicContact CG-CD 4.47Å; W236-K310 VanDerWaalsContact CG-CE 3.43Å; W236-K310 HydrophobicContact CH2-CB 4.2Å; W236-K310 HydrophobicContact CH2-CD 4.34Å; W236-K310 HydrophobicContact CZ2-CB 4.38Å; W236-K310 HydrophobicContact CZ2-CD 4.35Å; W236-K310 HydrophobicContact CZ3-CD 4.15Å; E240-K310 IonicContact OE1-NZ 2.68Å; E240-K310 PolarHBondContact OE1-NZ 3.06Å; E240-K310 IonicContact OE2-NZ 3.96Å; E240-K310 PolarHBondContact OE2-NZ 3.33Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.47Å; M308-K310 PolarHBondContact O-N 3.09Å; K310-L313 PolarHBondContact O-N 3.18Å; K310-T314 PolarHBondContact O-N 3.3Å; K310-T314 PolarHBondContact O-OG1 3.01Å; K310-T314 VanDerWaalsContact O-OG1 3.13Å
311L98.6Very high98.3Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-64.5-42.3179.2-175.463.3000111.7L7 L172 A175 N176 V179 Q186 A307 M308 L313 T314 E315L7-L311 HydrophobicContact CD2-CD1 4.28Å; L172-L311 HydrophobicContact CD2-CD1 4.15Å; A175-L311 VanDerWaalsContact C-CD2 3.49Å; A175-L311 HydrophobicContact CB-CD1 3.86Å; A175-L311 HydrophobicContact CB-CD2 3.81Å; N176-L311 HydrophobicContact CB-CD2 4.17Å; V179-L311 HydrophobicContact CG1-CD2 4.21Å; V179-L311 HydrophobicContact CG2-CD2 3.63Å; Q186-L311 VanDerWaalsContact NE2-N 3.18Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3.42Å; M308-L311 PolarHBondContact O-N 2.83Å; L311-L313 VanDerWaalsContact C-N 3.29Å; L311-L313 PolarHBondContact O-N 2.96Å; L311-T314 PolarHBondContact O-N 2.9Å; L311-E315 WeakPolarHBondContact O-CB 3.38Å; L311-E315 PolarHBondContact O-N 3.2Å
312A98.5Very high98.2Very high14 Ų1423.3 Ų23.312%0.11613%0.127CC..Hα-helixtrans-59.8-38.7175.300000112.2L280 L283 M308 W316L280-A312 HydrophobicContact CD1-CB 4.06Å; L283-A312 HydrophobicContact CD1-CB 3.55Å; M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.05Å; M308-A312 PolarHBondContact O-N 3.35Å; A312-W316 WeakPolarHBondContact O-CB 3.39Å; A312-W316 PolarHBondContact O-N 3.26Å
313L98.7Very high98.2Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-67.7-46.9175178.956.7000111.8L229 L233 W236 V261 L280 A309 K310 L311 E315 W316 L317L229-L313 HydrophobicContact CD2-CD1 4.39Å; L233-L313 HydrophobicContact CB-CD2 4.22Å; L233-L313 HydrophobicContact CD1-CD2 3.94Å; L233-L313 HydrophobicContact CD1-CG 4.33Å; W236-L313 HydrophobicContact CE3-CD2 3.98Å; W236-L313 HydrophobicContact CZ3-CD2 3.96Å; V261-L313 HydrophobicContact CG1-CD1 3.88Å; V261-L313 HydrophobicContact CG1-CD2 4.2Å; V261-L313 HydrophobicContact CG2-CD2 3.57Å; L280-L313 HydrophobicContact CD1-CB 3.96Å; L280-L313 HydrophobicContact CD2-CD1 4.19Å; A309-L313 PolarHBondContact O-N 3.46Å; A309-L313 VanDerWaalsContact O-N 3.14Å; K310-L313 PolarHBondContact O-N 3.18Å; L311-L313 VanDerWaalsContact C-N 3.29Å; L311-L313 PolarHBondContact O-N 2.96Å; L313-E315 PolarHBondContact O-N 3.15Å; L313-W316 PolarHBondContact O-N 3.49Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 PolarHBondContact O-N 3.47Å
314T98.5Very high98.2Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-57.8-48.3176.5-59.60000110.9L172 Q186 K310 L311 L317 V318L172-T314 HydrophobicContact CD2-CG2 4.36Å; Q186-T314 PolarHBondContact NE2-OG1 2.98Å; Q186-T314 PolarHBondContact OE1-OG1 3.37Å; K310-T314 PolarHBondContact O-N 3.3Å; K310-T314 PolarHBondContact O-OG1 3.01Å; K310-T314 VanDerWaalsContact O-OG1 3.13Å; L311-T314 PolarHBondContact O-N 2.9Å; T314-L317 PolarHBondContact O-N 3.01Å; T314-V318 HydrophobicContact CG2-CG2 4.23Å; T314-V318 WeakPolarHBondContact O-CB 3.41Å; T314-V318 VanDerWaalsContact O-CG2 3.25Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 2.96Å
315E98.2Very high98.2Very high68 Ų6834.1 Ų34.132%0.31818%0.184SC..Hα-helixtrans-63.2-45.4178.1177.6172-174.700111.9L172 N176 L311 L313 L317 V318 S319L172-E315 HydrophobicContact CD1-CB 4.23Å; L172-E315 HydrophobicContact CD1-CG 4.15Å; L172-E315 HydrophobicContact CD2-CB 4.41Å; N176-E315 PolarHBondContact ND2-OE2 2.91Å; L311-E315 WeakPolarHBondContact O-CB 3.38Å; L311-E315 PolarHBondContact O-N 3.2Å; L313-E315 PolarHBondContact O-N 3.15Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.43Å; E315-V318 PolarHBondContact O-N 2.78Å; E315-S319 VanDerWaalsContact O-CB 3.24Å; E315-S319 WeakPolarHBondContact O-CB 3.5Å; E315-S319 PolarHBondContact O-N 3.05Å; E315-S319 PolarHBondContact O-OG 3.46Å
316W98.3Very high98.2Very high17 Ų1731.4 Ų31.46%0.06417%0.171CC..Hα-helixtrans-60.4-39.7179.9-165.292.6000112.1L229 L265 V272 A276 L280 A312 L313 K320 A321 W322L229-W316 HydrophobicContact CD1-CE3 3.8Å; L229-W316 HydrophobicContact CD1-CH2 4.36Å; L229-W316 HydrophobicContact CD1-CZ3 3.29Å; L265-W316 HydrophobicContact CD2-CH2 4.02Å; L265-W316 HydrophobicContact CD2-CZ2 4.28Å; L265-W316 HydrophobicContact CD2-CZ3 4.46Å; V272-W316 HydrophobicContact CG1-CH2 4.29Å; V272-W316 HydrophobicContact CG1-CZ2 4.17Å; A276-W316 PolarHBondContact O-NE1 3.28Å; L280-W316 HydrophobicContact CD2-CB 4.38Å; L280-W316 HydrophobicContact CD2-CD2 4.38Å; L280-W316 HydrophobicContact CD2-CG 4.17Å; A312-W316 WeakPolarHBondContact O-CB 3.39Å; A312-W316 PolarHBondContact O-N 3.26Å; L313-W316 PolarHBondContact O-N 3.49Å; W316-K320 PolarHBondContact O-N 2.83Å; W316-A321 HydrophobicContact CB-CB 4.37Å; W316-A321 VanDerWaalsContact CD1-CB 3.49Å; W316-A321 HydrophobicContact CD2-CB 4.29Å; W316-A321 HydrophobicContact CG-CB 3.82Å; W316-A321 PolarHBondContact O-N 2.79Å; W316-W322 HydrophobicContact CD2-CE3 4.17Å; W316-W322 AromaticContact CE3-CE3 3.54Å; W316-W322 HydrophobicContact CE3-CE3 3.54Å; W316-W322 AromaticContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CH2-CB 3.87Å; W316-W322 HydrophobicContact CH2-CD2 4.02Å; W316-W322 AromaticContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CG 4.28Å; W316-W322 HydrophobicContact CH2-CZ3 4.13Å; W316-W322 HydrophobicContact CZ2-CB 3.86Å; W316-W322 HydrophobicContact CZ2-CE3 4.01Å; W316-W322 HydrophobicContact CZ3-CD2 4.09Å; W316-W322 AromaticContact CZ3-CE3 3.06Å; W316-W322 HydrophobicContact CZ3-CE3 3.06Å; W316-W322 AromaticContact CZ3-CZ3 3.36Å; W316-W322 HydrophobicContact CZ3-CZ3 3.36Å
317L98.1Very high98.2Very high3 Ų336 Ų362%0.01620%0.196CC..Hα-helixtrans-71.6-53.2176.9177.356000112.4T75 L229 E230 L233 L313 T314 E315 S319 K320 W322T75-L317 HydrophobicContact CG2-CD2 3.53Å; T75-L317 HydrophobicContact CG2-CG 4.13Å; L229-L317 HydrophobicContact CB-CD1 3.97Å; L229-L317 HydrophobicContact CB-CD2 4.17Å; L229-L317 HydrophobicContact CD1-CD1 4.41Å; E230-L317 HydrophobicContact CG-CD2 3.83Å; L233-L317 HydrophobicContact CD2-CD2 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 PolarHBondContact O-N 3.47Å; T314-L317 PolarHBondContact O-N 3.01Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.43Å; L317-S319 PolarHBondContact O-N 3.05Å; L317-K320 PolarHBondContact O-N 2.91Å; L317-W322 HydrophobicContact CD1-CH2 4.19Å; L317-W322 HydrophobicContact CD1-CZ3 4.43Å
318V96.6Very high98.1Very high39 Ų3939.7 Ų39.724%0.23623%0.226CC..Hα-helixtrans-65.8-37.7-175.5172.10000111.8T75 L78 T168 L172 T314 E315 K320T75-V318 HydrophobicContact CG2-CG2 3.95Å; L78-V318 HydrophobicContact CD2-CG1 3.94Å; L78-V318 HydrophobicContact CD2-CG2 3.82Å; T168-V318 HydrophobicContact CG2-CG1 4.06Å; L172-V318 HydrophobicContact CD1-CB 4.39Å; L172-V318 HydrophobicContact CD1-CG1 4.23Å; T314-V318 HydrophobicContact CG2-CG2 4.23Å; T314-V318 WeakPolarHBondContact O-CB 3.41Å; T314-V318 VanDerWaalsContact O-CG2 3.25Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 2.96Å; E315-V318 PolarHBondContact O-N 2.78Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 3.45Å
319S96.5Very high98.1Very high50 Ų5043.6 Ų43.635%0.3524%0.241SC..THydrogen-bonded Turntrans-82.8-2.817868.20000114.2E315 L317 A321E315-S319 VanDerWaalsContact O-CB 3.24Å; E315-S319 WeakPolarHBondContact O-CB 3.5Å; E315-S319 PolarHBondContact O-N 3.05Å; E315-S319 PolarHBondContact O-OG 3.46Å; L317-S319 PolarHBondContact O-N 3.05Å; S319-A321 VanDerWaalsContact C-N 3.28Å; S319-A321 PolarHBondContact O-N 2.91Å
320K97.8Very high98.1Very high66 Ų6644 Ų4429%0.28725%0.245SC..THydrogen-bonded Turntrans49.148.3-172.2-54.2-178.2-170.2-74.40112.1E226 W316 L317 V318 W322 Q323E226-K320 IonicContact OE1-NZ 3.97Å; E226-K320 PolarHBondContact OE1-NZ 2.88Å; E226-K320 IonicContact OE2-NZ 3.69Å; E226-K320 PolarHBondContact OE2-NZ 2.82Å; W316-K320 PolarHBondContact O-N 2.83Å; L317-K320 PolarHBondContact O-N 2.91Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 3.45Å; K320-W322 HydrophobicContact CB-CD2 4.46Å; K320-W322 HydrophobicContact CB-CH2 4.02Å; K320-W322 HydrophobicContact CB-CZ2 3.8Å; K320-W322 HydrophobicContact CB-CZ3 4.39Å; K320-W322 HydrophobicContact CG-CH2 4.03Å; K320-W322 HydrophobicContact CG-CZ2 3.92Å; K320-W322 PolarHBondContact O-N 3.41Å; K320-Q323 HydrophobicContact CB-CG 3.99Å; K320-Q323 WeakPolarHBondContact O-CB 3.32Å; K320-Q323 WeakPolarHBondContact O-CG 3.39Å; K320-Q323 PolarHBondContact O-N 2.79Å
321A98Very high98Very high25 Ų2548.8 Ų48.821%0.20727%0.267CS..THydrogen-bonded Turntrans-61.4-10.4-167.500000115.1W316 S319 F325W316-A321 HydrophobicContact CB-CB 4.37Å; W316-A321 VanDerWaalsContact CD1-CB 3.49Å; W316-A321 HydrophobicContact CD2-CB 4.29Å; W316-A321 HydrophobicContact CG-CB 3.82Å; W316-A321 PolarHBondContact O-N 2.79Å; S319-A321 VanDerWaalsContact C-N 3.28Å; S319-A321 PolarHBondContact O-N 2.91Å; A321-F325 VanDerWaalsContact O-CD2 3.29Å; A321-F325 WeakPolarHBondContact O-CD2 3.12Å; A321-F325 WeakPolarHBondContact O-CE2 3.34Å
322W98.4Very high98Very high0 Ų051.3 Ų51.30%029%0.293CS..THydrogen-bonded Turntrans-73.1-28.5171.657.289.4000113.6E222 L225 E226 L229 V272 W316 L317 K320 F325E222-W322 HydrophobicContact CG-CZ2 4.19Å; E222-W322 PolarHBondContact OE1-NE1 3.15Å; L225-W322 HydrophobicContact CD2-CD2 3.86Å; L225-W322 HydrophobicContact CD2-CE3 4.36Å; L225-W322 HydrophobicContact CD2-CG 4.12Å; L225-W322 HydrophobicContact CD2-CZ2 4.19Å; E226-W322 HydrophobicContact CG-CH2 3.77Å; E226-W322 HydrophobicContact CG-CZ2 3.76Å; L229-W322 HydrophobicContact CD1-CZ3 4.5Å; V272-W322 HydrophobicContact CG1-CB 3.72Å; V272-W322 HydrophobicContact CG2-CB 3.98Å; V272-W322 HydrophobicContact CG2-CG 4.36Å; W316-W322 HydrophobicContact CD2-CE3 4.17Å; W316-W322 AromaticContact CE3-CE3 3.54Å; W316-W322 HydrophobicContact CE3-CE3 3.54Å; W316-W322 AromaticContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CH2-CB 3.87Å; W316-W322 HydrophobicContact CH2-CD2 4.02Å; W316-W322 AromaticContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CG 4.28Å; W316-W322 HydrophobicContact CH2-CZ3 4.13Å; W316-W322 HydrophobicContact CZ2-CB 3.86Å; W316-W322 HydrophobicContact CZ2-CE3 4.01Å; W316-W322 HydrophobicContact CZ3-CD2 4.09Å; W316-W322 AromaticContact CZ3-CE3 3.06Å; W316-W322 HydrophobicContact CZ3-CE3 3.06Å; W316-W322 AromaticContact CZ3-CZ3 3.36Å; W316-W322 HydrophobicContact CZ3-CZ3 3.36Å; L317-W322 HydrophobicContact CD1-CH2 4.19Å; L317-W322 HydrophobicContact CD1-CZ3 4.43Å; K320-W322 HydrophobicContact CB-CD2 4.46Å; K320-W322 HydrophobicContact CB-CH2 4.02Å; K320-W322 HydrophobicContact CB-CZ2 3.8Å; K320-W322 HydrophobicContact CB-CZ3 4.39Å; K320-W322 HydrophobicContact CG-CH2 4.03Å; K320-W322 HydrophobicContact CG-CZ2 3.92Å; K320-W322 PolarHBondContact O-N 3.41Å; W322-F325 WeakPolarHBondContact O-CB 3.35Å; W322-F325 PolarHBondContact O-N 2.73Å
323Q98.4Very high98Very high86 Ų8655 Ų5540%0.40231%0.306SS..G310 helixtrans-56.2-44.9-169.9-70.9-174.2-19.800113.9E222 K320 F325 L326E222-Q323 WeakPolarHBondContact OE1-CG 3.35Å; E222-Q323 PolarHBondContact OE1-NE2 2.57Å; K320-Q323 HydrophobicContact CB-CG 3.99Å; K320-Q323 WeakPolarHBondContact O-CB 3.32Å; K320-Q323 WeakPolarHBondContact O-CG 3.39Å; K320-Q323 PolarHBondContact O-N 2.79Å; Q323-F325 PolarHBondContact O-N 2.64Å; Q323-F325 VanDerWaalsContact O-N 3.09Å; Q323-L326 PolarHBondContact O-N 2.86Å
324P98.2Very high98Very high114 Ų11455.2 Ų55.274%0.7431%0.307SS*.G310 helixtrans-65.3-14.7178.6-22.435.4000114.5
325F98.3Very high98Very high86 Ų8659 Ų5938%0.37733%0.333SS..G310 helixtrans-91.8-5.6-179.3-66-92.6000113.5P273 K275 A276 A321 W322 Q323P273-F325 HydrophobicContact CG-CB 4.31Å; K275-F325 HydrophobicContact CD-CD1 4.35Å; K275-F325 HydrophobicContact CG-CD1 4.05Å; K275-F325 HydrophobicContact CG-CE1 4.24Å; A276-F325 HydrophobicContact CB-CB 4.02Å; A276-F325 HydrophobicContact CB-CD1 4.03Å; A276-F325 HydrophobicContact CB-CD2 3.64Å; A276-F325 HydrophobicContact CB-CE1 4.41Å; A276-F325 HydrophobicContact CB-CE2 4.05Å; A276-F325 HydrophobicContact CB-CG 3.63Å; A276-F325 HydrophobicContact CB-CZ 4.42Å; A321-F325 VanDerWaalsContact O-CD2 3.29Å; A321-F325 WeakPolarHBondContact O-CD2 3.12Å; A321-F325 WeakPolarHBondContact O-CE2 3.34Å; W322-F325 WeakPolarHBondContact O-CB 3.35Å; W322-F325 PolarHBondContact O-N 2.73Å; Q323-F325 PolarHBondContact O-N 2.64Å; Q323-F325 VanDerWaalsContact O-N 3.09Å
326L98.3Very high98Very high15 Ų1559.5 Ų59.58%0.07934%0.338CS..  trans-85.5117.6-175.3-53.7-174.2000111.3I271 V272 Q323 A330 Q331 I334I271-L326 HydrophobicContact CG2-CD2 4.4Å; V272-L326 HydrophobicContact CG2-CD2 4.37Å; Q323-L326 PolarHBondContact O-N 2.86Å; L326-A330 HydrophobicContact CB-CB 4.07Å; L326-A330 HydrophobicContact CD2-CB 4.12Å; L326-Q331 HydrophobicContact CB-CG 3.72Å; L326-Q331 HydrophobicContact CD1-CG 4.43Å; L326-Q331 PolarHBondContact O-NE2 3.35Å; L326-I334 HydrophobicContact CD1-CB 4.38Å; L326-I334 HydrophobicContact CD1-CD1 3.75Å; L326-I334 HydrophobicContact CD1-CG2 3.85Å
327D97.8Very high98Very high100 Ų10060.5 Ų60.554%0.53535%0.348SS..  trans-71.9171.5165.470.929.6000111.4K329 A330 Q331D327-K329 PolarHBondContact O-N 3.34Å; D327-K329 VanDerWaalsContact O-N 3.16Å; D327-K329 WeakPolarHBondContact OD1-CA 3.39Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 2.97Å; D327-A330 PolarHBondContact O-N 3.33Å; D327-A330 PolarHBondContact OD1-N 3.33Å; D327-Q331 WeakPolarHBondContact O-CG 3.4Å; D327-Q331 PolarHBondContact O-N 3.2Å
328A97.6Very high98Very high84 Ų8460.5 Ų60.569%0.69435%0.348SS*.Hα-helixtrans-57.3-32.3-178.400000113.9G332A328-G332 PolarHBondContact O-N 3.11Å
329K97.9Very high98.1Very high147 Ų14761.4 Ų61.464%0.63935%0.349SS*.Hα-helixtrans-73.1-39.7177.2178.4-177.9180178.80110.9D327 K333D327-K329 PolarHBondContact O-N 3.34Å; D327-K329 VanDerWaalsContact O-N 3.16Å; D327-K329 WeakPolarHBondContact OD1-CA 3.39Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 2.97Å; K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 3.12Å
330A98.1Very high98.1Very high9 Ų966.5 Ų66.57%0.07436%0.36CS..Hα-helixtrans-67.4-42.2175.800000111.2I271 L326 D327 K333 I334I271-A330 HydrophobicContact CG2-CB 4.19Å; L326-A330 HydrophobicContact CB-CB 4.07Å; L326-A330 HydrophobicContact CD2-CB 4.12Å; D327-A330 PolarHBondContact O-N 3.33Å; D327-A330 PolarHBondContact OD1-N 3.33Å; A330-K333 PolarHBondContact O-N 2.99Å; A330-I334 WeakPolarHBondContact O-CB 3.4Å; A330-I334 PolarHBondContact O-N 3.36Å
331Q98.1Very high98.1Very high102 Ų10264.4 Ų64.448%0.47735%0.351SS..Hα-helixtrans-58.5-48.3173.2-69.3173.819.100111.3L326 D327 K333 I334 S335L326-Q331 HydrophobicContact CB-CG 3.72Å; L326-Q331 HydrophobicContact CD1-CG 4.43Å; L326-Q331 PolarHBondContact O-NE2 3.35Å; D327-Q331 WeakPolarHBondContact O-CG 3.4Å; D327-Q331 PolarHBondContact O-N 3.2Å; Q331-K333 VanDerWaalsContact C-N 3.25Å; Q331-K333 PolarHBondContact O-N 3.21Å; Q331-I334 PolarHBondContact O-N 3.18Å; Q331-S335 PolarHBondContact O-N 2.83Å; Q331-S335 VanDerWaalsContact O-N 3.1Å; Q331-S335 PolarHBondContact O-OG 2.82Å
332G98.1Very high98.2Very high52 Ų5263.2 Ų63.254%0.53634%0.341SS..Hα-helixtrans-60.3-33.3177.200000113.8A328A328-G332 PolarHBondContact O-N 3.11Å
333K98.3Very high98.1Very high92 Ų9263.9 Ų63.940%0.435%0.345SS..Hα-helixtrans-77.4-38.8175.5-73.7178.7174.6-171.80113.3V221 I271 K329 A330 Q331 S335 D336V221-K333 WeakPolarHBondContact CG2-O 3.44Å; I271-K333 HydrophobicContact CD1-CB 3.99Å; I271-K333 HydrophobicContact CG1-CB 4.03Å; I271-K333 HydrophobicContact CG1-CD 4.19Å; K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 3.12Å; A330-K333 PolarHBondContact O-N 2.99Å; Q331-K333 VanDerWaalsContact C-N 3.25Å; Q331-K333 PolarHBondContact O-N 3.21Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.35Å; K333-D336 PolarHBondContact O-N 2.86Å
334I98.4Very high98.1Very high5 Ų564.2 Ų64.23%0.02635%0.349CS..Hα-helixtrans-70.2-29.5-176.4-144.3177.2000111.2V221 E222 L225 I271 L326 A330 Q331V221-I334 CarbonylContact C-O 3.59Å; V221-I334 WeakPolarHBondContact CA-O 3.27Å; V221-I334 HydrophobicContact CB-CG1 4.46Å; V221-I334 WeakPolarHBondContact CB-O 3.31Å; V221-I334 PolarHBondContact N-O 3.37Å; E222-I334 HydrophobicContact CB-CD1 4.07Å; E222-I334 HydrophobicContact CB-CG1 3.87Å; E222-I334 HydrophobicContact CB-CG2 4.48Å; E222-I334 HydrophobicContact CG-CD1 4.09Å; E222-I334 HydrophobicContact CG-CG1 4.45Å; E222-I334 PolarHBondContact N-O 3.15Å; L225-I334 HydrophobicContact CD2-CD1 4.47Å; I271-I334 HydrophobicContact CG2-CB 3.78Å; I271-I334 HydrophobicContact CG2-CD1 4.11Å; I271-I334 HydrophobicContact CG2-CG1 3.89Å; L326-I334 HydrophobicContact CD1-CB 4.38Å; L326-I334 HydrophobicContact CD1-CD1 3.75Å; L326-I334 HydrophobicContact CD1-CG2 3.85Å; A330-I334 WeakPolarHBondContact O-CB 3.4Å; A330-I334 PolarHBondContact O-N 3.36Å; Q331-I334 PolarHBondContact O-N 3.18Å
335S98.3Very high98.1Very high78 Ų7859.9 Ų59.955%0.54532%0.319SS..THydrogen-bonded Turntrans-88.63.1175.7-52.70000114.3Q331 K333Q331-S335 PolarHBondContact O-N 2.83Å; Q331-S335 VanDerWaalsContact O-N 3.1Å; Q331-S335 PolarHBondContact O-OG 2.82Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.35Å
336D98Very high98.1Very high79 Ų7955.8 Ų55.842%0.42230%0.301SS..SBendtrans-85.3173.3174.5-156.9-13.9000110.5D220 V221 K333 F338D220-D336 CarbonylContact C-O 3.52Å; D220-D336 WeakPolarHBondContact CA-O 3.29Å; D220-D336 WeakPolarHBondContact CB-O 3.45Å; V221-D336 WeakPolarHBondContact CG2-O 3.3Å; V221-D336 PolarHBondContact N-O 3.47Å; K333-D336 PolarHBondContact O-N 2.86Å; D336-F338 PolarHBondContact O-N 3.27Å
337S98.4Very high98.1Very high39 Ų3957 Ų5727%0.27331%0.311SS..BIsolated β-bridgetrans-61.7124.4-176.3175.50000113.3K339 R340 F341S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 2.85Å; S337-K339 PolarHBondContact OG-N 3.24Å; S337-R340 PolarHBondContact O-N 2.97Å; S337-R340 PolarHBondContact OG-N 3.02Å; S337-F341 PolarHBondContact O-N 2.97Å; S337-F341 VanDerWaalsContact O-N 3.12Å
338F98.6Very high98.1Very high3 Ų359 Ų591%0.01331%0.311CS..Hα-helixtrans-62.4-36.1172.9-172.5-125.7000112.6V215 A219 D220 V221 F268 D336 R340 F341 A342 L381 L382 Y385V215-F338 HydrophobicContact CB-CD1 4.07Å; V215-F338 HydrophobicContact CB-CE1 4.2Å; V215-F338 HydrophobicContact CG1-CD1 4.35Å; V215-F338 HydrophobicContact CG2-CD1 4.02Å; V215-F338 HydrophobicContact CG2-CE1 3.65Å; A219-F338 WeakPolarHBondContact O-CB 3.2Å; A219-F338 PolarHBondContact O-N 3.24Å; D220-F338 WeakPolarHBondContact O-CB 3.23Å; V221-F338 HydrophobicContact CG1-CD2 4.46Å; F268-F338 HydrophobicContact CE1-CE2 4.03Å; F268-F338 AromaticContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CZ 4.48Å; D336-F338 PolarHBondContact O-N 3.27Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 3.34Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CG 4.48Å; F338-F341 AromaticContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CE1 4.05Å; F338-F341 WeakPolarHBondContact O-CB 3.48Å; F338-F341 PolarHBondContact O-N 3.23Å; F338-A342 WeakPolarHBondContact O-CB 3.38Å; F338-A342 PolarHBondContact O-N 3.14Å; F338-L381 WeakPolarHBondContact CZ-O 3.32Å; F338-L382 HydrophobicContact CE2-CD2 4.24Å; F338-L382 HydrophobicContact CZ-CD2 4.14Å; F338-Y385 HydrophobicContact CB-CE2 4.4Å; F338-Y385 AromaticContact CD1-CE2 3.57Å; F338-Y385 HydrophobicContact CD1-CE2 3.57Å; F338-Y385 AromaticContact CD1-CZ 3.99Å; F338-Y385 HydrophobicContact CE1-CE2 4.22Å; F338-Y385 HydrophobicContact CG-CE2 4.3Å
339K98.1Very high98.1Very high58 Ų5855.9 Ų55.925%0.25228%0.281SS..Hα-helixtrans-57.5-45.8175.6-167.6-85.9177.7-172.50112S337 A342 D343 Y385S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 2.85Å; S337-K339 PolarHBondContact OG-N 3.24Å; K339-A342 PolarHBondContact O-N 3.33Å; K339-D343 WeakPolarHBondContact CE-OD2 3.29Å; K339-D343 IonicContact NZ-OD1 2.68Å; K339-D343 IonicContact NZ-OD2 3.9Å; K339-D343 PolarHBondContact NZ-OD2 3.32Å; K339-D343 PolarHBondContact O-N 2.86Å; K339-D343 VanDerWaalsContact O-N 3.1Å; K339-Y385 VanDerWaalsContact CA-CE2 3.42Å; K339-Y385 HydrophobicContact CB-CD1 4.32Å; K339-Y385 HydrophobicContact CB-CD2 3.75Å; K339-Y385 HydrophobicContact CB-CE1 4.3Å; K339-Y385 HydrophobicContact CB-CE2 3.69Å; K339-Y385 HydrophobicContact CB-CG 4.05Å; K339-Y385 HydrophobicContact CG-CD1 4.12Å; K339-Y385 HydrophobicContact CG-CD2 3.71Å; K339-Y385 HydrophobicContact CG-CE2 4.19Å; K339-Y385 HydrophobicContact CG-CG 3.65Å
340R97.3Very high98.1Very high156 Ų15649.7 Ų49.759%0.58926%0.258SS*.Hα-helixtrans-68.3-39178.4-66.7178.468.4-177.51.9111.8S337 F338 A342 I344S337-R340 PolarHBondContact O-N 2.97Å; S337-R340 PolarHBondContact OG-N 3.02Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 3.34Å; R340-A342 VanDerWaalsContact C-N 3.31Å; R340-I344 WeakPolarHBondContact O-CD1 3.44Å; R340-I344 WeakPolarHBondContact O-CG1 3.42Å; R340-I344 PolarHBondContact O-N 3.01Å
341F98.3Very high98.1Very high22 Ų2252.2 Ų52.210%0.09628%0.278CS..Hα-helixtrans-58.5-45.4172.3172.9-89.1000111.1V221 L267 F268 I271 S337 F338 I344 H345 L382V221-F341 HydrophobicContact CG1-CD1 4.35Å; V221-F341 HydrophobicContact CG1-CD2 4.02Å; V221-F341 HydrophobicContact CG1-CE2 4.21Å; V221-F341 HydrophobicContact CG1-CG 4.1Å; V221-F341 HydrophobicContact CG1-CZ 4.47Å; V221-F341 HydrophobicContact CG2-CB 3.65Å; V221-F341 HydrophobicContact CG2-CD2 4.15Å; V221-F341 HydrophobicContact CG2-CG 3.94Å; L267-F341 HydrophobicContact CD1-CE1 4.19Å; L267-F341 HydrophobicContact CD1-CZ 4.2Å; L267-F341 HydrophobicContact CG-CE1 4.26Å; L267-F341 HydrophobicContact CG-CZ 4.29Å; F268-F341 HydrophobicContact CD1-CE1 4.25Å; F268-F341 AromaticContact CD1-CZ 3.95Å; F268-F341 HydrophobicContact CD1-CZ 3.95Å; F268-F341 AromaticContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CZ 4.06Å; F268-F341 HydrophobicContact CZ-CE1 4.38Å; I271-F341 HydrophobicContact CD1-CD2 4.26Å; I271-F341 HydrophobicContact CD1-CE2 3.98Å; S337-F341 PolarHBondContact O-N 2.97Å; S337-F341 VanDerWaalsContact O-N 3.12Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CG 4.48Å; F338-F341 AromaticContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CE1 4.05Å; F338-F341 WeakPolarHBondContact O-CB 3.48Å; F338-F341 PolarHBondContact O-N 3.23Å; F341-I344 PolarHBondContact O-N 2.79Å; F341-H345 AromaticContact CD2-CD2 3.9Å; F341-H345 AromaticContact CE2-CD2 3.61Å; F341-H345 AromaticContact CE2-NE2 3.39Å; F341-H345 WeakPolarHBondContact CE2-NE2 3.31Å; F341-H345 AromaticContact CZ-CD2 3.72Å; F341-H345 AromaticContact CZ-CE1 3.95Å; F341-H345 AromaticContact CZ-NE2 3.69Å; F341-H345 PolarHBondContact O-CD2 2.88Å; F341-H345 PolarHBondContact O-N 3.01Å; F341-H345 VanDerWaalsContact O-N 3.09Å; F341-L382 HydrophobicContact CD1-CD2 4.04Å; F341-L382 HydrophobicContact CE1-CD2 3.88Å
342A98.5Very high98Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-61.7-48.7-179.700000112.9F338 K339 R340 I344 H345 L346 L382F338-A342 WeakPolarHBondContact O-CB 3.38Å; F338-A342 PolarHBondContact O-N 3.14Å; K339-A342 PolarHBondContact O-N 3.33Å; R340-A342 VanDerWaalsContact C-N 3.31Å; A342-I344 VanDerWaalsContact C-N 3.26Å; A342-I344 PolarHBondContact O-N 3.08Å; A342-H345 PolarHBondContact O-N 2.75Å; A342-H345 VanDerWaalsContact O-N 3.1Å; A342-L346 WeakPolarHBondContact O-CB 3.26Å; A342-L346 VanDerWaalsContact O-CG 3.29Å; A342-L346 WeakPolarHBondContact O-CG 3.34Å; A342-L346 PolarHBondContact O-N 3.05Å; A342-L382 HydrophobicContact CB-CB 4.11Å; A342-L382 HydrophobicContact CB-CD2 3.9Å; A342-L382 WeakPolarHBondContact CB-O 3.31Å
343D98Very high98Very high15 Ų1548.3 Ų48.38%0.0825%0.246CC..Hα-helixtrans-55.4-41.4178.1-68.9-14.7000113K339 S347 Y386K339-D343 WeakPolarHBondContact CE-OD2 3.29Å; K339-D343 IonicContact NZ-OD1 2.68Å; K339-D343 IonicContact NZ-OD2 3.9Å; K339-D343 PolarHBondContact NZ-OD2 3.32Å; K339-D343 PolarHBondContact O-N 2.86Å; K339-D343 VanDerWaalsContact O-N 3.1Å; D343-S347 PolarHBondContact O-N 3.38Å; D343-S347 PolarHBondContact O-OG 3.38Å; D343-Y386 PolarHBondContact OD1-OH 2.92Å
344I97.7Very high97.9Very high92 Ų9249.7 Ų49.747%0.47225%0.252SS..Hα-helixtrans-65.8-46.6178.6-66.4167.4000110.1R340 F341 A342 S347 R348R340-I344 WeakPolarHBondContact O-CD1 3.44Å; R340-I344 WeakPolarHBondContact O-CG1 3.42Å; R340-I344 PolarHBondContact O-N 3.01Å; F341-I344 PolarHBondContact O-N 2.79Å; A342-I344 VanDerWaalsContact C-N 3.26Å; A342-I344 PolarHBondContact O-N 3.08Å; I344-S347 PolarHBondContact O-N 3.07Å; I344-R348 WeakPolarHBondContact O-CG 2.85Å; I344-R348 PolarHBondContact O-N 3.05Å
345H98.4Very high97.8Very high24 Ų2452.9 Ų52.911%0.11128%0.275CS..Hα-helixtrans-76.5-33.8-175.8-82.7-102.4000113.1L267 F341 A342 S347 R348 H349 L382L267-H345 HydrophobicContact CD1-CB 3.97Å; L267-H345 WeakPolarHBondContact CD1-ND1 3.25Å; F341-H345 AromaticContact CD2-CD2 3.9Å; F341-H345 AromaticContact CE2-CD2 3.61Å; F341-H345 AromaticContact CE2-NE2 3.39Å; F341-H345 WeakPolarHBondContact CE2-NE2 3.31Å; F341-H345 AromaticContact CZ-CD2 3.72Å; F341-H345 AromaticContact CZ-CE1 3.95Å; F341-H345 AromaticContact CZ-NE2 3.69Å; F341-H345 PolarHBondContact O-CD2 2.88Å; F341-H345 PolarHBondContact O-N 3.01Å; F341-H345 VanDerWaalsContact O-N 3.09Å; A342-H345 PolarHBondContact O-N 2.75Å; A342-H345 VanDerWaalsContact O-N 3.1Å; H345-S347 VanDerWaalsContact C-N 3.26Å; H345-S347 PolarHBondContact O-N 3.07Å; H345-R348 PolarHBondContact CE1-NH1 3.08Å; H345-R348 PolarHBondContact NE2-NH1 3.44Å; H345-R348 WeakPolarHBondContact O-CB 3.43Å; H345-R348 PolarHBondContact O-N 3.35Å; H345-H349 PolarHBondContact O-CD2 3.21Å; H345-H349 PolarHBondContact O-N 2.99Å; H345-L382 HydrophobicContact CB-CD1 3.5Å; H345-L382 HydrophobicContact CB-CD2 4.45Å
346L98.5Very high97.8Very high0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-53.5-46.8169.4-75.5170.4000110.5A342 R348 H349 A350 I379 L382 Y386 F426 W427A342-L346 WeakPolarHBondContact O-CB 3.26Å; A342-L346 VanDerWaalsContact O-CG 3.29Å; A342-L346 WeakPolarHBondContact O-CG 3.34Å; A342-L346 PolarHBondContact O-N 3.05Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.98Å; L346-H349 PolarHBondContact O-N 2.98Å; L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 3.31Å; L346-I379 HydrophobicContact CD2-CB 4.28Å; L346-I379 HydrophobicContact CD2-CG1 4.11Å; L346-I379 HydrophobicContact CD2-CG2 3.82Å; L346-L382 HydrophobicContact CD2-CB 3.78Å; L346-L382 HydrophobicContact CD2-CD1 4.49Å; L346-L382 HydrophobicContact CG-CB 3.89Å; L346-L382 HydrophobicContact CG-CD1 4.43Å; L346-Y386 HydrophobicContact CD1-CD2 4.42Å; L346-Y386 HydrophobicContact CD1-CE2 3.96Å; L346-F426 HydrophobicContact CD1-CE2 4.43Å; L346-F426 HydrophobicContact CD2-CZ 4.42Å; L346-W427 HydrophobicContact CB-CD2 3.78Å; L346-W427 HydrophobicContact CB-CE3 4.3Å; L346-W427 HydrophobicContact CB-CG 3.91Å; L346-W427 HydrophobicContact CB-CZ2 4.45Å; L346-W427 HydrophobicContact CD1-CB 3.7Å; L346-W427 HydrophobicContact CD1-CD2 4.23Å; L346-W427 HydrophobicContact CD1-CG 3.85Å
347S97.9Very high97.8Very high41 Ų4146.6 Ų46.629%0.28724%0.236SC..Hα-helixtrans-61.6-37.3176.4-56.20000113.1D343 I344 H345 A351 W427D343-S347 PolarHBondContact O-N 3.38Å; D343-S347 PolarHBondContact O-OG 3.38Å; I344-S347 PolarHBondContact O-N 3.07Å; H345-S347 VanDerWaalsContact C-N 3.26Å; H345-S347 PolarHBondContact O-N 3.07Å; S347-A351 WeakPolarHBondContact O-CB 3.43Å; S347-A351 PolarHBondContact O-N 2.84Å; S347-A351 VanDerWaalsContact O-N 3.09Å; S347-W427 PolarHBondContact OG-NE1 3.16Å
348R97.6Very high97.7Very high142 Ų14248.1 Ų48.154%0.53625%0.246SC..Hα-helixtrans-68.4-47.5177.9-69.9176.9-178.9165.83.6112I344 H345 L346 A351 E352I344-R348 WeakPolarHBondContact O-CG 2.85Å; I344-R348 PolarHBondContact O-N 3.05Å; H345-R348 PolarHBondContact CE1-NH1 3.08Å; H345-R348 PolarHBondContact NE2-NH1 3.44Å; H345-R348 WeakPolarHBondContact O-CB 3.43Å; H345-R348 PolarHBondContact O-N 3.35Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.98Å; R348-A351 PolarHBondContact O-N 2.74Å; R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.48Å
349H98.3Very high97.5Very high17 Ų1753.4 Ų53.48%0.07927%0.271CS..Hα-helixtrans-67.7-37.7179.1-70.7-72.2000111.7H345 L346 A351 E352 L353 D375 S378 I379H345-H349 PolarHBondContact O-CD2 3.21Å; H345-H349 PolarHBondContact O-N 2.99Å; L346-H349 PolarHBondContact O-N 2.98Å; H349-A351 PolarHBondContact O-N 2.79Å; H349-E352 PolarHBondContact O-N 3.43Å; H349-L353 WeakPolarHBondContact O-CG 3.35Å; H349-L353 PolarHBondContact O-N 3.36Å; H349-D375 HydrophobicContact CB-CB 4.33Å; H349-D375 IonicContact CE1-OD1 2.88Å; H349-D375 IonicContact CG-OD1 2.73Å; H349-D375 IonicContact ND1-OD1 3.35Å; H349-D375 PolarHBondContact ND1-OD1 2.95Å; H349-S378 WeakPolarHBondContact CE1-CB 3.45Å; H349-S378 PolarHBondContact CE1-OG 3.27Å; H349-S378 VanDerWaalsContact NE2-CB 3.3Å; H349-S378 WeakPolarHBondContact NE2-CB 3.2Å; H349-I379 HydrophobicContact CB-CD1 4.12Å; H349-I379 HydrophobicContact CB-CG1 3.99Å
350A97.3Very high97.5Very high18 Ų1854.3 Ų54.315%0.14928%0.283CS..Hα-helixtrans-64.4-38.1174.500000113.4L346 E352 K354 W427L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 3.31Å; A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.27Å; A350-K354 WeakPolarHBondContact O-CB 3.32Å; A350-K354 PolarHBondContact O-N 3.32Å; A350-W427 HydrophobicContact CB-CH2 3.37Å; A350-W427 HydrophobicContact CB-CZ2 3.55Å
351A97Very high97.5Very high61 Ų6147.7 Ų47.750%0.50426%0.259SS..Hα-helixtrans-62.9-38.3175.600000111.7S347 R348 H349 S355S347-A351 WeakPolarHBondContact O-CB 3.43Å; S347-A351 PolarHBondContact O-N 2.84Å; S347-A351 VanDerWaalsContact O-N 3.09Å; R348-A351 PolarHBondContact O-N 2.74Å; H349-A351 PolarHBondContact O-N 2.79Å; A351-S355 WeakPolarHBondContact O-CB 3.44Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 PolarHBondContact O-OG 3.24Å
352E97.4Very high97.4Very high72 Ų7248 Ų4834%0.33627%0.269SS..Hα-helixtrans-70.7-48.1179.7-70.6-90.4-146.900111.6R348 H349 A350 K354 S355 V356 R371R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.48Å; H349-E352 PolarHBondContact O-N 3.43Å; A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.27Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 2.87Å; E352-S355 PolarHBondContact O-N 2.87Å; E352-S355 VanDerWaalsContact O-N 3.15Å; E352-S355 PolarHBondContact O-OG 3.1Å; E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 3.42Å; E352-V356 VanDerWaalsContact O-N 3.09Å; E352-R371 IonicContact OE1-CZ 3.52Å; E352-R371 IonicContact OE1-NH1 3.73Å; E352-R371 PolarHBondContact OE1-NH1 2.99Å; E352-R371 IonicContact OE1-NH2 2.66Å; E352-R371 PolarHBondContact OE1-NH2 2.68Å; E352-R371 IonicContact OE2-CZ 2.85Å; E352-R371 IonicContact OE2-NE 2.8Å; E352-R371 IonicContact OE2-NH1 3.65Å; E352-R371 PolarHBondContact OE2-NH1 3.08Å; E352-R371 VanDerWaalsContact OE2-NH1 3.07Å; E352-R371 IonicContact OE2-NH2 3.25Å; E352-R371 PolarHBondContact OE2-NH2 2.8Å
353L97.9Very high97.2Very high1 Ų155 Ų551%0.00531%0.306CS..Hα-helixtrans-52.5-49.5171.2-73171.1000111.6H349 S355 V356 F357 L372 D375 I379 W394 W398H349-L353 WeakPolarHBondContact O-CG 3.35Å; H349-L353 PolarHBondContact O-N 3.36Å; L353-S355 PolarHBondContact O-N 3.47Å; L353-V356 PolarHBondContact O-N 3.38Å; L353-F357 HydrophobicContact CD2-CD2 4.27Å; L353-F357 HydrophobicContact CD2-CE2 4.21Å; L353-F357 WeakPolarHBondContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.47Å; L353-L372 HydrophobicContact CD2-CD1 3.55Å; L353-D375 HydrophobicContact CD1-CB 4.2Å; L353-D375 HydrophobicContact CD2-CB 3.77Å; L353-D375 HydrophobicContact CG-CB 3.78Å; L353-I379 HydrophobicContact CD1-CD1 3.71Å; L353-W394 HydrophobicContact CD1-CH2 4.07Å; L353-W398 HydrophobicContact CB-CE3 4.49Å; L353-W398 HydrophobicContact CB-CH2 3.75Å; L353-W398 HydrophobicContact CB-CZ2 3.92Å; L353-W398 HydrophobicContact CB-CZ3 4.04Å; L353-W398 HydrophobicContact CD1-CD2 4.02Å; L353-W398 HydrophobicContact CD1-CE3 4.43Å; L353-W398 HydrophobicContact CD1-CG 4.39Å; L353-W398 HydrophobicContact CD1-CZ2 4.27Å; L353-W398 HydrophobicContact CD2-CD2 4.3Å; L353-W398 HydrophobicContact CD2-CE3 3.92Å; L353-W398 HydrophobicContact CD2-CZ3 4.09Å
354K95.6Very high97.1Very high120 Ų12061.8 Ų61.852%0.52233%0.33SS..Hα-helixtrans-62.7-42.3178.9-175.2168.8-69.9-169.40111.8A350 E352 V356 C358A350-K354 WeakPolarHBondContact O-CB 3.32Å; A350-K354 PolarHBondContact O-N 3.32Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 2.87Å; K354-V356 VanDerWaalsContact C-N 3.29Å; K354-V356 PolarHBondContact O-N 2.84Å; K354-C358 WeakPolarHBondContact O-CB 3.35Å; K354-C358 PolarHBondContact O-N 2.79Å; K354-C358 VanDerWaalsContact O-N 3.1Å; K354-C358 PolarHBondContact O-SG 3.1Å
355S96.8Very high97.1Very high73 Ų7357.6 Ų57.651%0.5131%0.309SS..Hα-helixtrans-65.3-32.8-178.274.50000113.3A351 E352 L353A351-S355 WeakPolarHBondContact O-CB 3.44Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 PolarHBondContact O-OG 3.24Å; E352-S355 PolarHBondContact O-N 2.87Å; E352-S355 VanDerWaalsContact O-N 3.15Å; E352-S355 PolarHBondContact O-OG 3.1Å; L353-S355 PolarHBondContact O-N 3.47Å
356V97.4Very high97Very high24 Ų2465.2 Ų65.215%0.14534%0.336CS..Hα-helixtrans-85.2-43.4-178.7175.30000111.8E352 L353 K354 L361 Q368 R371E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 3.42Å; E352-V356 VanDerWaalsContact O-N 3.09Å; L353-V356 PolarHBondContact O-N 3.38Å; K354-V356 VanDerWaalsContact C-N 3.29Å; K354-V356 PolarHBondContact O-N 2.84Å; V356-L361 HydrophobicContact CG1-CD1 4.33Å; V356-Q368 HydrophobicContact CG1-CB 4.11Å; V356-Q368 HydrophobicContact CG1-CG 3.77Å; V356-R371 HydrophobicContact CG2-CG 4.41Å
357F98.1Very high97Very high0 Ų070.7 Ų70.70%037%0.366CS..Hα-helixtrans-104.57.2-168.5-62.6-73.6000114.5L353 Q359 L361 Y365 Q368 L372 W398 L401 I405 R417 N421L353-F357 HydrophobicContact CD2-CD2 4.27Å; L353-F357 HydrophobicContact CD2-CE2 4.21Å; L353-F357 WeakPolarHBondContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.47Å; F357-Q359 PolarHBondContact O-N 3.47Å; F357-L361 HydrophobicContact CD1-CD1 4.14Å; F357-L361 HydrophobicContact CE1-CD1 4.05Å; F357-Y365 HydrophobicContact CD1-CE1 4.4Å; F357-Y365 HydrophobicContact CE1-CD1 4.35Å; F357-Q368 HydrophobicContact CE1-CB 4.13Å; F357-Q368 HydrophobicContact CZ-CB 3.82Å; F357-L372 HydrophobicContact CE2-CB 3.99Å; F357-L372 HydrophobicContact CE2-CD1 3.87Å; F357-L372 HydrophobicContact CE2-CD2 4.48Å; F357-L372 HydrophobicContact CE2-CG 4.33Å; F357-L372 HydrophobicContact CZ-CB 3.81Å; F357-L372 HydrophobicContact CZ-CD1 4.24Å; F357-L372 HydrophobicContact CZ-CD2 4.02Å; F357-L372 HydrophobicContact CZ-CG 4.25Å; F357-W398 HydrophobicContact CB-CH2 4.36Å; F357-W398 HydrophobicContact CB-CZ3 3.93Å; F357-W398 AromaticContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CG-CZ3 4.1Å; F357-L401 HydrophobicContact CD1-CD2 3.83Å; F357-L401 HydrophobicContact CE1-CD2 4.18Å; F357-L401 HydrophobicContact CG-CD2 4.06Å; F357-I405 HydrophobicContact CE1-CD1 4.14Å; F357-R417 HydrophobicContact CB-CG 4.37Å; F357-R417 WeakPolarHBondContact O-CD 3.31Å; F357-R417 VanDerWaalsContact O-CG 3.25Å; F357-R417 WeakPolarHBondContact O-CG 3.42Å; F357-N421 PolarHBondContact O-ND2 3.45Å
358C96.3Very high97Very high72 Ų7271.7 Ų71.749%0.48637%0.366SS..SBendtrans-64.1-21.7175.559.50000113.8K354K354-C358 WeakPolarHBondContact O-CB 3.35Å; K354-C358 PolarHBondContact O-N 2.79Å; K354-C358 VanDerWaalsContact O-N 3.1Å; K354-C358 PolarHBondContact O-SG 3.1Å
359Q96Very high97Very high113 Ų11366.2 Ų66.253%0.52835%0.347SS..SBendtrans-124.6153.8179.764.8-178.4-17.300110.9F357 L361F357-Q359 PolarHBondContact O-N 3.47Å; Q359-L361 HydrophobicContact CG-CD2 4.25Å
360P97.4Very high97Very high78 Ų7869.8 Ų69.851%0.50637%0.372SS..  trans-64.9136.3173.427.2-34.7000111.3Y365P360-Y365 VanDerWaalsContact CA-OH 3.32Å; P360-Y365 WeakPolarHBondContact CA-OH 3.34Å
361L97.3Very high97Very high17 Ų1771.9 Ų71.99%0.08938%0.376CS..  trans-100.2-6-174.6-59.5-178.1000114.6V356 F357 Q359 D363 R364 Y365 Q368V356-L361 HydrophobicContact CG1-CD1 4.33Å; F357-L361 HydrophobicContact CD1-CD1 4.14Å; F357-L361 HydrophobicContact CE1-CD1 4.05Å; Q359-L361 HydrophobicContact CG-CD2 4.25Å; L361-D363 PolarHBondContact O-N 3.4Å; L361-R364 WeakPolarHBondContact O-CB 3.41Å; L361-R364 PolarHBondContact O-N 2.69Å; L361-Y365 HydrophobicContact CB-CD1 3.76Å; L361-Y365 HydrophobicContact CB-CD2 4.13Å; L361-Y365 HydrophobicContact CB-CE1 3.74Å; L361-Y365 HydrophobicContact CB-CE2 4.11Å; L361-Y365 HydrophobicContact CB-CG 3.94Å; L361-Y365 HydrophobicContact CD1-CD1 3.81Å; L361-Y365 HydrophobicContact CD1-CE1 3.99Å; L361-Y365 HydrophobicContact CG-CD1 4.05Å; L361-Y365 HydrophobicContact CG-CE1 3.83Å; L361-Y365 VanDerWaalsContact N-CZ 3.33Å; L361-Y365 PolarHBondContact N-OH 2.66Å; L361-Q368 HydrophobicContact CD1-CB 4.39Å; L361-Q368 HydrophobicContact CD1-CG 3.65Å
362G95.5Very high97.1Very high29 Ų2969 Ų6930%0.29935%0.352SS..G310 helixtrans62-126.5-179.400000111.1R364 Y365 R410G362-R364 PolarHBondContact O-N 2.66Å; G362-Y365 WeakPolarHBondContact O-CD2 3.38Å; G362-R410 PolarHBondContact O-NH1 2.79Å; G362-R410 PolarHBondContact O-NH2 2.73Å
363D94.6Very high97.1Very high146 Ų14666.9 Ų66.978%0.78134%0.344SS*.G310 helixtrans-80.6-5.6-178-58.5-22.9000113.2L361 Y365 R410L361-D363 PolarHBondContact O-N 3.4Å; D363-Y365 PolarHBondContact O-N 2.73Å; D363-R410 IonicContact OD1-NH1 2.84Å; D363-R410 IonicContact OD1-NH2 3.15Å
364R96.7Very high97.1Very high157 Ų15769.2 Ų69.259%0.59235%0.353SS*.G310 helixtrans-89.45.6-176.4-57.7178.8-65-150.21.9114.1L361 G362 R366 D367L361-R364 WeakPolarHBondContact O-CB 3.41Å; L361-R364 PolarHBondContact O-N 2.69Å; G362-R364 PolarHBondContact O-N 2.66Å; R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.09Å; R364-D367 PolarHBondContact O-N 2.79Å
365Y97.8Very high97.3Very high4 Ų463.5 Ų63.52%0.01633%0.328CS..G310 helixtrans-58.9-40.5177.5-82.9-66.9000112.2F357 P360 L361 G362 D363 D367 Q368 I405 I413 E414 R417F357-Y365 HydrophobicContact CD1-CE1 4.4Å; F357-Y365 HydrophobicContact CE1-CD1 4.35Å; P360-Y365 VanDerWaalsContact CA-OH 3.32Å; P360-Y365 WeakPolarHBondContact CA-OH 3.34Å; L361-Y365 HydrophobicContact CB-CD1 3.76Å; L361-Y365 HydrophobicContact CB-CD2 4.13Å; L361-Y365 HydrophobicContact CB-CE1 3.74Å; L361-Y365 HydrophobicContact CB-CE2 4.11Å; L361-Y365 HydrophobicContact CB-CG 3.94Å; L361-Y365 HydrophobicContact CD1-CD1 3.81Å; L361-Y365 HydrophobicContact CD1-CE1 3.99Å; L361-Y365 HydrophobicContact CG-CD1 4.05Å; L361-Y365 HydrophobicContact CG-CE1 3.83Å; L361-Y365 VanDerWaalsContact N-CZ 3.33Å; L361-Y365 PolarHBondContact N-OH 2.66Å; G362-Y365 WeakPolarHBondContact O-CD2 3.38Å; D363-Y365 PolarHBondContact O-N 2.73Å; Y365-D367 PolarHBondContact O-N 3.15Å; Y365-Q368 PolarHBondContact O-N 3.11Å; Y365-I405 HydrophobicContact CD1-CD1 3.77Å; Y365-I405 HydrophobicContact CD1-CG1 4.15Å; Y365-I405 HydrophobicContact CG-CD1 4.27Å; Y365-I405 HydrophobicContact CG-CG1 4.23Å; Y365-I413 HydrophobicContact CD1-CG2 4.02Å; Y365-I413 HydrophobicContact CD2-CD1 4.48Å; Y365-I413 HydrophobicContact CD2-CG2 3.72Å; Y365-I413 HydrophobicContact CE1-CG2 3.75Å; Y365-I413 HydrophobicContact CE2-CG2 3.43Å; Y365-I413 VanDerWaalsContact CE2-CG2 3.43Å; Y365-I413 HydrophobicContact CG-CG2 4.03Å; Y365-I413 VanDerWaalsContact CZ-CG2 3.43Å; Y365-E414 PolarHBondContact OH-OE1 2.91Å; Y365-R417 VanDerWaalsContact OH-CD 3.28Å; Y365-R417 WeakPolarHBondContact OH-CD 3.27Å; Y365-R417 PolarHBondContact OH-NE 3.18Å
366R96.7Very high97.4Very high184 Ų18460.5 Ų60.569%0.69431%0.306SS*.G310 helixtrans-62.7-32.7-177-163.6176-176.1167.62.2112.4R364 Q368 L369R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.09Å; R366-Q368 PolarHBondContact O-N 2.65Å; R366-L369 HydrophobicContact CG-CD1 3.93Å; R366-L369 WeakPolarHBondContact O-CB 3.19Å; R366-L369 PolarHBondContact O-N 2.68Å
367D97.5Very high97.4Very high116 Ų11660.2 Ų60.262%0.6230%0.304SS*.G310 helixtrans-65.4-22177.6-56.9-24.9000112.4R364 Y365R364-D367 PolarHBondContact O-N 2.79Å; Y365-D367 PolarHBondContact O-N 3.15Å
368Q98Very high97.5Very high61 Ų6160.3 Ų60.329%0.28530%0.304SS..G310 helixtrans-93.9-2.6179.9-57.6-53.8-45.700113.6V356 F357 L361 Y365 R366 R371 L372V356-Q368 HydrophobicContact CG1-CB 4.11Å; V356-Q368 HydrophobicContact CG1-CG 3.77Å; F357-Q368 HydrophobicContact CE1-CB 4.13Å; F357-Q368 HydrophobicContact CZ-CB 3.82Å; L361-Q368 HydrophobicContact CD1-CB 4.39Å; L361-Q368 HydrophobicContact CD1-CG 3.65Å; Y365-Q368 PolarHBondContact O-N 3.11Å; R366-Q368 PolarHBondContact O-N 2.65Å; Q368-R371 WeakPolarHBondContact O-CB 3.23Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-R371 VanDerWaalsContact O-N 3.12Å; Q368-L372 PolarHBondContact O-N 2.8Å
369L97.4Very high97.6Very high28 Ų2856.9 Ų56.915%0.14728%0.281CS..Hα-helixtrans-53-49.9177.7-82.2173000112.4R366 R371 L372 T373 I405R366-L369 HydrophobicContact CG-CD1 3.93Å; R366-L369 WeakPolarHBondContact O-CB 3.19Å; R366-L369 PolarHBondContact O-N 2.68Å; L369-R371 PolarHBondContact O-N 3.27Å; L369-R371 VanDerWaalsContact O-N 3.16Å; L369-L372 PolarHBondContact O-N 2.72Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 PolarHBondContact O-OG1 2.71Å; L369-I405 HydrophobicContact CD1-CG2 4.04Å; L369-I405 HydrophobicContact CD2-CB 3.95Å; L369-I405 HydrophobicContact CD2-CG2 3.64Å; L369-I405 HydrophobicContact CG-CB 4.48Å; L369-I405 HydrophobicContact CG-CG2 3.62Å
370P97.5Very high97.7Very high92 Ų9251.7 Ų51.760%0.59726%0.257SS*.Hα-helixtrans-58.4-35.1179.9-25.135.2000113.5R374P370-R374 WeakPolarHBondContact O-CB 3.43Å; P370-R374 PolarHBondContact O-N 3Å
371R97.8Very high97.8Very high62 Ų6248 Ų4823%0.23423%0.233CC..Hα-helixtrans-69.9-48.7177.4-176.176.3-158.2-162.919110.8E352 V356 Q368 L369 R374 D375E352-R371 IonicContact OE1-CZ 3.52Å; E352-R371 IonicContact OE1-NH1 3.73Å; E352-R371 PolarHBondContact OE1-NH1 2.99Å; E352-R371 IonicContact OE1-NH2 2.66Å; E352-R371 PolarHBondContact OE1-NH2 2.68Å; E352-R371 IonicContact OE2-CZ 2.85Å; E352-R371 IonicContact OE2-NE 2.8Å; E352-R371 IonicContact OE2-NH1 3.65Å; E352-R371 PolarHBondContact OE2-NH1 3.08Å; E352-R371 VanDerWaalsContact OE2-NH1 3.07Å; E352-R371 IonicContact OE2-NH2 3.25Å; E352-R371 PolarHBondContact OE2-NH2 2.8Å; V356-R371 HydrophobicContact CG2-CG 4.41Å; Q368-R371 WeakPolarHBondContact O-CB 3.23Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-R371 VanDerWaalsContact O-N 3.12Å; L369-R371 PolarHBondContact O-N 3.27Å; L369-R371 VanDerWaalsContact O-N 3.16Å; R371-R374 VanDerWaalsContact CD-NH2 3.29Å; R371-R374 PolarHBondContact O-N 3.4Å; R371-D375 IonicContact CZ-OD2 3.93Å; R371-D375 IonicContact NE-OD1 2.73Å; R371-D375 IonicContact NE-OD2 3.62Å; R371-D375 PolarHBondContact NE-OD2 3.31Å; R371-D375 IonicContact NH2-OD1 3.4Å; R371-D375 IonicContact NH2-OD2 3.52Å; R371-D375 PolarHBondContact O-N 3.39Å
372L98.5Very high97.8Very high0 Ų047.2 Ų47.20%023%0.229CC..Hα-helixtrans-61.1-47.6179.4-179.355.8000111.6L353 F357 Q368 L369 R374 D375 I376 W398 L401 H402 I405L353-L372 HydrophobicContact CD2-CD1 3.55Å; F357-L372 HydrophobicContact CE2-CB 3.99Å; F357-L372 HydrophobicContact CE2-CD1 3.87Å; F357-L372 HydrophobicContact CE2-CD2 4.48Å; F357-L372 HydrophobicContact CE2-CG 4.33Å; F357-L372 HydrophobicContact CZ-CB 3.81Å; F357-L372 HydrophobicContact CZ-CD1 4.24Å; F357-L372 HydrophobicContact CZ-CD2 4.02Å; F357-L372 HydrophobicContact CZ-CG 4.25Å; Q368-L372 PolarHBondContact O-N 2.8Å; L369-L372 PolarHBondContact O-N 2.72Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 3.29Å; L372-D375 PolarHBondContact O-N 3.25Å; L372-I376 HydrophobicContact CD1-CD1 3.78Å; L372-I376 HydrophobicContact CD1-CG1 4.08Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.35Å; L372-W398 HydrophobicContact CD1-CE3 4.02Å; L372-L401 HydrophobicContact CD2-CD2 4.26Å; L372-L401 HydrophobicContact CD2-CG 4.06Å; L372-H402 HydrophobicContact CD2-CB 3.79Å; L372-H402 HydrophobicContact CG-CB 4.2Å; L372-I405 HydrophobicContact CD2-CD1 3.97Å
373T98.4Very high98Very high28 Ų2845.8 Ų45.817%0.17222%0.215CC..Hα-helixtrans-57.9-46.7176.6-48.40000110.7L369 D375 I376 D377 H402L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 PolarHBondContact O-OG1 2.71Å; T373-D375 VanDerWaalsContact C-N 3.33Å; T373-D375 PolarHBondContact O-N 3.02Å; T373-I376 PolarHBondContact O-N 2.89Å; T373-D377 WeakPolarHBondContact O-CB 3.38Å; T373-D377 PolarHBondContact O-N 2.81Å; T373-H402 PolarHBondContact OG1-CD2 3Å; T373-H402 PolarHBondContact OG1-NE2 2.85Å
374R98.6Very high98.1Very high50 Ų5039.4 Ų39.419%0.18918%0.183CC..Hα-helixtrans-58.9-45.2178-170.6-178.484-121.5-49.3112.5H263 M266 P370 R371 L372 S378H263-R374 HydrophobicContact CB-CG 4.12Å; H263-R374 WeakPolarHBondContact CD2-CG 3.44Å; H263-R374 WeakPolarHBondContact CE1-CA 3.48Å; H263-R374 PolarHBondContact CE1-N 2.87Å; H263-R374 WeakPolarHBondContact NE2-CB 3.36Å; M266-R374 VanDerWaalsContact SD-CD 3.5Å; P370-R374 WeakPolarHBondContact O-CB 3.43Å; P370-R374 PolarHBondContact O-N 3Å; R371-R374 VanDerWaalsContact CD-NH2 3.29Å; R371-R374 PolarHBondContact O-N 3.4Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 3.29Å; R374-S378 VanDerWaalsContact O-CB 3.31Å; R374-S378 WeakPolarHBondContact O-CB 3.47Å; R374-S378 PolarHBondContact O-N 2.95Å; R374-S378 PolarHBondContact O-OG 3.26Å
375D98.7Very high98.2Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-74.6-33.3-174.7-64.5-27.6000111.1H349 L353 R371 L372 T373 I379H349-D375 HydrophobicContact CB-CB 4.33Å; H349-D375 IonicContact CE1-OD1 2.88Å; H349-D375 IonicContact CG-OD1 2.73Å; H349-D375 IonicContact ND1-OD1 3.35Å; H349-D375 PolarHBondContact ND1-OD1 2.95Å; L353-D375 HydrophobicContact CD1-CB 4.2Å; L353-D375 HydrophobicContact CD2-CB 3.77Å; L353-D375 HydrophobicContact CG-CB 3.78Å; R371-D375 IonicContact CZ-OD2 3.93Å; R371-D375 IonicContact NE-OD1 2.73Å; R371-D375 IonicContact NE-OD2 3.62Å; R371-D375 PolarHBondContact NE-OD2 3.31Å; R371-D375 IonicContact NH2-OD1 3.4Å; R371-D375 IonicContact NH2-OD2 3.52Å; R371-D375 PolarHBondContact O-N 3.39Å; L372-D375 PolarHBondContact O-N 3.25Å; T373-D375 VanDerWaalsContact C-N 3.33Å; T373-D375 PolarHBondContact O-N 3.02Å; D375-I379 WeakPolarHBondContact O-CD1 3.46Å; D375-I379 WeakPolarHBondContact O-CG1 3.31Å; D375-I379 PolarHBondContact O-N 3.45Å; D375-I379 VanDerWaalsContact O-N 3.11Å
376I98.7Very high98.2Very high10 Ų1036.1 Ų36.15%0.05117%0.171CC..Hα-helixtrans-62.4-52.8168.8-70.3169.1000110.9L372 T373 S378 I379 L380 L395 W398 Q399 H402L372-I376 HydrophobicContact CD1-CD1 3.78Å; L372-I376 HydrophobicContact CD1-CG1 4.08Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.35Å; T373-I376 PolarHBondContact O-N 2.89Å; I376-S378 VanDerWaalsContact C-N 3.29Å; I376-S378 PolarHBondContact O-N 3.1Å; I376-I379 PolarHBondContact O-N 2.96Å; I376-I379 VanDerWaalsContact O-N 3.09Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 PolarHBondContact O-N 3.42Å; I376-L395 HydrophobicContact CG2-CD2 4.39Å; I376-W398 HydrophobicContact CD1-CB 4.11Å; I376-W398 WeakPolarHBondContact CD1-O 3.32Å; I376-W398 HydrophobicContact CG1-CB 3.97Å; I376-Q399 HydrophobicContact CG2-CG 4.08Å; I376-H402 HydrophobicContact CD1-CB 3.77Å
377D98.8Very high98.2Very high18 Ų1831.8 Ų31.810%0.09616%0.162CC..Hα-helixtrans-57.7-44.1179.9-79.4-5.2000111.3L260 H263 T373 I379 L380 L381L260-D377 HydrophobicContact CD1-CB 3.69Å; H263-D377 HydrophobicContact CB-CB 4.11Å; H263-D377 IonicContact CE1-OD2 3.26Å; H263-D377 PolarHBondContact CE1-OD2 3.48Å; H263-D377 IonicContact CG-OD2 2.84Å; H263-D377 IonicContact ND1-OD2 2.8Å; H263-D377 PolarHBondContact ND1-OD2 3.28Å; T373-D377 WeakPolarHBondContact O-CB 3.38Å; T373-D377 PolarHBondContact O-N 2.81Å; D377-I379 VanDerWaalsContact C-N 3.31Å; D377-I379 PolarHBondContact O-N 2.89Å; D377-L380 WeakPolarHBondContact O-CB 3.28Å; D377-L380 PolarHBondContact O-N 2.91Å; D377-L381 WeakPolarHBondContact O-CG 3.39Å; D377-L381 PolarHBondContact O-N 2.79Å; D377-L381 VanDerWaalsContact O-N 3.17Å
378S98.8Very high98.2Very high1 Ų129.6 Ų29.61%0.00715%0.154CC..Hα-helixtrans-63.4-38.8178.5-560000111.6H349 R374 I376 L381 L382H349-S378 WeakPolarHBondContact CE1-CB 3.45Å; H349-S378 PolarHBondContact CE1-OG 3.27Å; H349-S378 VanDerWaalsContact NE2-CB 3.3Å; H349-S378 WeakPolarHBondContact NE2-CB 3.2Å; R374-S378 VanDerWaalsContact O-CB 3.31Å; R374-S378 WeakPolarHBondContact O-CB 3.47Å; R374-S378 PolarHBondContact O-N 2.95Å; R374-S378 PolarHBondContact O-OG 3.26Å; I376-S378 VanDerWaalsContact C-N 3.29Å; I376-S378 PolarHBondContact O-N 3.1Å; S378-L381 PolarHBondContact O-N 3.46Å; S378-L382 VanDerWaalsContact O-CD1 3.3Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.94Å
379I98.6Very high98.2Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-71-37.5178.5-67.1169.3000111.2L346 H349 L353 D375 I376 D377 L381 L382 A383 W394 L395L346-I379 HydrophobicContact CD2-CB 4.28Å; L346-I379 HydrophobicContact CD2-CG1 4.11Å; L346-I379 HydrophobicContact CD2-CG2 3.82Å; H349-I379 HydrophobicContact CB-CD1 4.12Å; H349-I379 HydrophobicContact CB-CG1 3.99Å; L353-I379 HydrophobicContact CD1-CD1 3.71Å; D375-I379 WeakPolarHBondContact O-CD1 3.46Å; D375-I379 WeakPolarHBondContact O-CG1 3.31Å; D375-I379 PolarHBondContact O-N 3.45Å; D375-I379 VanDerWaalsContact O-N 3.11Å; I376-I379 PolarHBondContact O-N 2.96Å; I376-I379 VanDerWaalsContact O-N 3.09Å; D377-I379 VanDerWaalsContact C-N 3.31Å; D377-I379 PolarHBondContact O-N 2.89Å; I379-L381 PolarHBondContact O-N 2.9Å; I379-L382 PolarHBondContact O-N 2.97Å; I379-A383 HydrophobicContact CG2-CB 4.4Å; I379-A383 WeakPolarHBondContact O-CB 3.33Å; I379-A383 PolarHBondContact O-N 3.37Å; I379-W394 HydrophobicContact CD1-CH2 3.66Å; I379-W394 HydrophobicContact CD1-CZ3 3.53Å; I379-W394 HydrophobicContact CG2-CE3 4.47Å; I379-W394 HydrophobicContact CG2-CZ3 4.06Å; I379-L395 HydrophobicContact CB-CD2 3.99Å; I379-L395 HydrophobicContact CG2-CD1 4.05Å; I379-L395 HydrophobicContact CG2-CD2 3.65Å; I379-L395 HydrophobicContact CG2-CG 3.89Å
380L98.7Very high98.2Very high4 Ų434.6 Ų34.62%0.02119%0.189CC..Hα-helixtrans-54.8-39.1171.6-75167.1000111.5T210 I212 L213 I376 D377 L382 L395T210-L380 HydrophobicContact CG2-CD1 4.25Å; I212-L380 WeakPolarHBondContact CA-O 3.48Å; I212-L380 HydrophobicContact CG1-CD2 4.06Å; L213-L380 PolarHBondContact N-O 3.49Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 PolarHBondContact O-N 3.42Å; D377-L380 WeakPolarHBondContact O-CB 3.28Å; D377-L380 PolarHBondContact O-N 2.91Å; L380-L382 VanDerWaalsContact C-N 3.32Å; L380-L382 PolarHBondContact O-N 3.46Å; L380-L395 HydrophobicContact CD2-CD1 3.63Å; L380-L395 HydrophobicContact CG-CD1 4.03Å
381L98.7Very high98.2Very high0 Ų030.2 Ų30.20%016%0.161CC..THydrogen-bonded Turntrans-75.8-13.8179-62176.6000114.7L213 A228 L231 L260 T264 L267 F338 D377 S378 I379L213-L381 HydrophobicContact CB-CD2 4.38Å; L213-L381 HydrophobicContact CD2-CD2 4.09Å; A228-L381 HydrophobicContact CB-CD1 4.14Å; A228-L381 HydrophobicContact CB-CD2 3.76Å; A228-L381 HydrophobicContact CB-CG 4.42Å; L231-L381 HydrophobicContact CD2-CD2 4.18Å; L260-L381 HydrophobicContact CD1-CD1 3.94Å; L260-L381 HydrophobicContact CD1-CD2 4.19Å; L260-L381 HydrophobicContact CD1-CG 4.11Å; T264-L381 HydrophobicContact CG2-CD1 4.5Å; T264-L381 VanDerWaalsContact OG1-CD1 3.3Å; T264-L381 WeakPolarHBondContact OG1-CD1 3.4Å; L267-L381 HydrophobicContact CD2-CB 4.12Å; L267-L381 HydrophobicContact CD2-CD1 4.14Å; F338-L381 WeakPolarHBondContact CZ-O 3.32Å; D377-L381 WeakPolarHBondContact O-CG 3.39Å; D377-L381 PolarHBondContact O-N 2.79Å; D377-L381 VanDerWaalsContact O-N 3.17Å; S378-L381 PolarHBondContact O-N 3.46Å; I379-L381 PolarHBondContact O-N 2.9Å
382L98.7Very high98.2Very high1 Ų129.4 Ų29.41%0.00516%0.16CC..THydrogen-bonded Turntrans-115.9-22.7-169.6-66.2172.6000114L267 F338 F341 A342 H345 L346 S378 I379 L380 G384L267-L382 HydrophobicContact CD1-CD1 3.97Å; L267-L382 HydrophobicContact CD1-CD2 4.34Å; L267-L382 HydrophobicContact CD1-CG 4.49Å; L267-L382 HydrophobicContact CD2-CD1 4.34Å; L267-L382 HydrophobicContact CD2-CD2 3.93Å; L267-L382 HydrophobicContact CD2-CG 4.05Å; F338-L382 HydrophobicContact CE2-CD2 4.24Å; F338-L382 HydrophobicContact CZ-CD2 4.14Å; F341-L382 HydrophobicContact CD1-CD2 4.04Å; F341-L382 HydrophobicContact CE1-CD2 3.88Å; A342-L382 HydrophobicContact CB-CB 4.11Å; A342-L382 HydrophobicContact CB-CD2 3.9Å; A342-L382 WeakPolarHBondContact CB-O 3.31Å; H345-L382 HydrophobicContact CB-CD1 3.5Å; H345-L382 HydrophobicContact CB-CD2 4.45Å; L346-L382 HydrophobicContact CD2-CB 3.78Å; L346-L382 HydrophobicContact CD2-CD1 4.49Å; L346-L382 HydrophobicContact CG-CB 3.89Å; L346-L382 HydrophobicContact CG-CD1 4.43Å; S378-L382 VanDerWaalsContact O-CD1 3.3Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.94Å; I379-L382 PolarHBondContact O-N 2.97Å; L380-L382 VanDerWaalsContact C-N 3.32Å; L380-L382 PolarHBondContact O-N 3.46Å; L382-G384 VanDerWaalsContact C-N 3.29Å; L382-G384 PolarHBondContact O-N 3.45Å
383A98.5Very high98.1Very high0 Ų031.5 Ų31.50%018%0.177CC..G310 helixtrans-79.4-2.9-168.600000115.1I212 I379 Y385 Y386 A391 F426I212-A383 HydrophobicContact CD1-CB 4.03Å; I212-A383 HydrophobicContact CG1-CB 4.27Å; I212-A383 HydrophobicContact CG2-CB 3.9Å; I379-A383 HydrophobicContact CG2-CB 4.4Å; I379-A383 WeakPolarHBondContact O-CB 3.33Å; I379-A383 PolarHBondContact O-N 3.37Å; A383-Y385 PolarHBondContact O-N 3.29Å; A383-Y386 PolarHBondContact O-N 3.3Å; A383-A391 HydrophobicContact CB-CB 4.2Å; A383-F426 HydrophobicContact CB-CE2 4.01Å; A383-F426 HydrophobicContact CB-CZ 3.77Å
384G98.2Very high98.1Very high11 Ų1131 Ų3111%0.11317%0.172CC..G310 helixtrans-67.7-4.9-168.200000118L213 H214 L382L213-G384 VanDerWaalsContact O-CA 3.24Å; L213-G384 WeakPolarHBondContact O-CA 3.34Å; H214-G384 WeakPolarHBondContact ND1-CA 3.31Å; H214-G384 PolarHBondContact ND1-O 3.28Å; L382-G384 VanDerWaalsContact C-N 3.29Å; L382-G384 PolarHBondContact O-N 3.45Å
385Y97.8Very high98.1Very high52 Ų5228.7 Ų28.720%0.20416%0.163CC..G310 helixtrans-94.1-1.8176-68.3-67.9000114.1A216 F338 K339 A383A216-Y385 PolarHBondContact O-OH 3.33Å; F338-Y385 HydrophobicContact CB-CE2 4.4Å; F338-Y385 AromaticContact CD1-CE2 3.57Å; F338-Y385 HydrophobicContact CD1-CE2 3.57Å; F338-Y385 AromaticContact CD1-CZ 3.99Å; F338-Y385 HydrophobicContact CE1-CE2 4.22Å; F338-Y385 HydrophobicContact CG-CE2 4.3Å; K339-Y385 VanDerWaalsContact CA-CE2 3.42Å; K339-Y385 HydrophobicContact CB-CD1 4.32Å; K339-Y385 HydrophobicContact CB-CD2 3.75Å; K339-Y385 HydrophobicContact CB-CE1 4.3Å; K339-Y385 HydrophobicContact CB-CE2 3.69Å; K339-Y385 HydrophobicContact CB-CG 4.05Å; K339-Y385 HydrophobicContact CG-CD1 4.12Å; K339-Y385 HydrophobicContact CG-CD2 3.71Å; K339-Y385 HydrophobicContact CG-CE2 4.19Å; K339-Y385 HydrophobicContact CG-CG 3.65Å; A383-Y385 PolarHBondContact O-N 3.29Å
386Y97.8Very high98.1Very high41 Ų4133.8 Ų33.816%0.16119%0.187CC..SBendtrans-106.3170.1179.9-66.3-78.6000111.1D343 L346 A383 P388 F426 W427 L428D343-Y386 PolarHBondContact OD1-OH 2.92Å; L346-Y386 HydrophobicContact CD1-CD2 4.42Å; L346-Y386 HydrophobicContact CD1-CE2 3.96Å; A383-Y386 PolarHBondContact O-N 3.3Å; Y386-P388 WeakPolarHBondContact O-CD 3.38Å; Y386-P388 VanDerWaalsContact O-N 3.17Å; Y386-F426 HydrophobicContact CD1-CD2 4.18Å; Y386-F426 WeakPolarHBondContact CD1-O 3.33Å; Y386-F426 AromaticContact CD2-CD2 3.85Å; Y386-F426 HydrophobicContact CD2-CD2 3.85Å; Y386-F426 AromaticContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CE2-CE2 4.44Å; Y386-F426 AromaticContact CG-CD2 3.62Å; Y386-F426 HydrophobicContact CG-CD2 3.62Å; Y386-F426 AromaticContact CG-CE2 3.88Å; Y386-F426 HydrophobicContact CG-CE2 3.88Å; Y386-W427 HydrophobicContact CD2-CB 4.2Å; Y386-W427 VanDerWaalsContact CE1-CA 3.48Å; Y386-W427 HydrophobicContact CE1-CB 4.01Å; Y386-W427 HydrophobicContact CE2-CB 3.46Å; Y386-W427 VanDerWaalsContact CE2-CB 3.46Å; Y386-W427 WeakPolarHBondContact OH-CB 3.36Å; Y386-L428 PolarHBondContact OH-N 3.17Å
387D97.4Very high98Very high92 Ų9234.9 Ų34.949%0.49219%0.193SC..  trans-55.3119.9175.2-173.5-53.2000109.7V389 V390 A391D387-V389 PolarHBondContact O-N 3.11Å; D387-V389 WeakPolarHBondContact OD1-CB 3.33Å; D387-V389 PolarHBondContact OD1-N 3.48Å; D387-V390 HydrophobicContact CB-CB 4.15Å; D387-V390 HydrophobicContact CB-CG2 3.95Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 2.65Å; D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 2.73Å
388P96.4Very high98Very high71 Ų7134.3 Ų34.346%0.46119%0.19SC..Hα-helixtrans-58.6-35.4-175.6-23.732.2000113.1Y386 Q392Y386-P388 WeakPolarHBondContact O-CD 3.38Å; Y386-P388 VanDerWaalsContact O-N 3.17Å; P388-Q392 WeakPolarHBondContact O-CB 3.32Å; P388-Q392 PolarHBondContact O-N 3.25Å
389V97.5Very high98Very high114 Ų11437 Ų3769%0.69120%0.202SC*.Hα-helixtrans-68.1-45.3-178.8-179.80000110D387 A393D387-V389 PolarHBondContact O-N 3.11Å; D387-V389 WeakPolarHBondContact OD1-CB 3.33Å; D387-V389 PolarHBondContact OD1-N 3.48Å; V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.48Å; V389-A393 PolarHBondContact O-N 3.28Å
390V98Very high98Very high79 Ų7937.6 Ų37.648%0.47921%0.208SC..Hα-helixtrans-68.2-45.6-179.4-179.90000111.1D387 W394 F426D387-V390 HydrophobicContact CB-CB 4.15Å; D387-V390 HydrophobicContact CB-CG2 3.95Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 2.65Å; V390-W394 PolarHBondContact O-N 2.97Å; V390-W394 VanDerWaalsContact O-N 3.08Å; V390-F426 HydrophobicContact CG1-CB 3.86Å
391A98Very high98Very high0 Ų037.4 Ų37.40%021%0.207CC..Hα-helixtrans-68.1-39.4-178.400000112I212 A383 D387 W394 L395 F426I212-A391 HydrophobicContact CD1-CB 3.56Å; A383-A391 HydrophobicContact CB-CB 4.2Å; D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 2.73Å; A391-W394 PolarHBondContact O-N 3.48Å; A391-L395 PolarHBondContact O-N 3.33Å; A391-L395 VanDerWaalsContact O-N 3.11Å; A391-F426 HydrophobicContact CB-CD2 4.18Å; A391-F426 HydrophobicContact CB-CE1 4.3Å; A391-F426 HydrophobicContact CB-CE2 3.86Å; A391-F426 HydrophobicContact CB-CZ 3.92Å
392Q96.4Very high98Very high45 Ų4539.6 Ų39.621%0.2122%0.217CC..Hα-helixtrans-67-45.2176.9-171.460.846.600111.1I212 P388 W394 L395 E396I212-Q392 HydrophobicContact CD1-CB 4.38Å; P388-Q392 WeakPolarHBondContact O-CB 3.32Å; P388-Q392 PolarHBondContact O-N 3.25Å; Q392-W394 VanDerWaalsContact C-N 3.26Å; Q392-W394 PolarHBondContact O-N 3.2Å; Q392-L395 CarbonylContact O-C 3.58Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.31Å; Q392-E396 WeakPolarHBondContact O-CG 3.27Å; Q392-E396 PolarHBondContact O-N 3.38Å
393A97.7Very high97.9Very high45 Ų4544.6 Ų44.637%0.37224%0.241SC..Hα-helixtrans-59.1-36.7175.400000112.5V389 E396V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.48Å; V389-A393 PolarHBondContact O-N 3.28Å; A393-E396 PolarHBondContact O-N 3.01Å
394W98.4Very high97.9Very high18 Ų1844.6 Ų44.67%0.06824%0.241CC..Hα-helixtrans-65-40.6174.7-173.396.7000112.3L353 I379 V390 A391 Q392 W398 Q423 E424 F426 W427L353-W394 HydrophobicContact CD1-CH2 4.07Å; I379-W394 HydrophobicContact CD1-CH2 3.66Å; I379-W394 HydrophobicContact CD1-CZ3 3.53Å; I379-W394 HydrophobicContact CG2-CE3 4.47Å; I379-W394 HydrophobicContact CG2-CZ3 4.06Å; V390-W394 PolarHBondContact O-N 2.97Å; V390-W394 VanDerWaalsContact O-N 3.08Å; A391-W394 PolarHBondContact O-N 3.48Å; Q392-W394 VanDerWaalsContact C-N 3.26Å; Q392-W394 PolarHBondContact O-N 3.2Å; W394-W398 AromaticContact CE2-NE1 3.81Å; W394-W398 AromaticContact CE3-CD1 3.73Å; W394-W398 AromaticContact CE3-NE1 3.91Å; W394-W398 AromaticContact CH2-CD1 3.58Å; W394-W398 AromaticContact CH2-NE1 3.08Å; W394-W398 AromaticContact CZ2-NE1 3.32Å; W394-W398 VanDerWaalsContact CZ2-NE1 3.32Å; W394-W398 AromaticContact CZ3-CD1 3.34Å; W394-W398 HydrophobicContact CZ3-CG 4.46Å; W394-W398 AromaticContact CZ3-NE1 3.39Å; W394-Q423 VanDerWaalsContact CD1-CD 3.44Å; W394-Q423 PolarHBondContact O-NE2 2.85Å; W394-Q423 PolarHBondContact O-OE1 2.84Å; W394-E424 PolarHBondContact NE1-O 3.48Å; W394-F426 HydrophobicContact CB-CD1 3.69Å; W394-F426 HydrophobicContact CB-CE1 3.89Å; W394-F426 AromaticContact CD1-CD1 3.95Å; W394-F426 HydrophobicContact CD2-CD1 4.03Å; W394-F426 AromaticContact CD2-CE1 3.75Å; W394-F426 HydrophobicContact CD2-CE1 3.75Å; W394-F426 AromaticContact CE3-CE1 3.88Å; W394-F426 HydrophobicContact CE3-CE1 3.88Å; W394-F426 AromaticContact CG-CD1 3.59Å; W394-F426 HydrophobicContact CG-CD1 3.59Å; W394-F426 AromaticContact CG-CE1 3.76Å; W394-F426 HydrophobicContact CG-CE1 3.76Å; W394-W427 HydrophobicContact CZ2-CH2 4.15Å; W394-W427 HydrophobicContact CZ2-CZ3 4.05Å
395L98Very high97.9Very high0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-71.3-34.8177.7-90.7172.6000112.9I212 I376 I379 L380 A391 Q392 N397 W398 Q399I212-L395 HydrophobicContact CD1-CD1 4.04Å; I212-L395 HydrophobicContact CG1-CD1 3.8Å; I376-L395 HydrophobicContact CG2-CD2 4.39Å; I379-L395 HydrophobicContact CB-CD2 3.99Å; I379-L395 HydrophobicContact CG2-CD1 4.05Å; I379-L395 HydrophobicContact CG2-CD2 3.65Å; I379-L395 HydrophobicContact CG2-CG 3.89Å; L380-L395 HydrophobicContact CD2-CD1 3.63Å; L380-L395 HydrophobicContact CG-CD1 4.03Å; A391-L395 PolarHBondContact O-N 3.33Å; A391-L395 VanDerWaalsContact O-N 3.11Å; Q392-L395 CarbonylContact O-C 3.58Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.31Å; L395-N397 PolarHBondContact O-N 3.25Å; L395-W398 PolarHBondContact O-N 3.43Å; L395-Q399 WeakPolarHBondContact O-CG 3.3Å; L395-Q399 PolarHBondContact O-N 3.15Å
396E98Very high97.9Very high108 Ų10844.4 Ų44.451%0.50525%0.247SC..Hα-helixtrans-54.6-38.6-178.2-82.9172.5-169.400112.4Q392 A393 W398 Q399 G400Q392-E396 WeakPolarHBondContact O-CG 3.27Å; Q392-E396 PolarHBondContact O-N 3.38Å; A393-E396 PolarHBondContact O-N 3.01Å; E396-W398 PolarHBondContact O-N 3.05Å; E396-Q399 PolarHBondContact O-N 2.8Å; E396-G400 PolarHBondContact O-N 2.89Å
397N98.5Very high97.8Very high32 Ų3246 Ų4617%0.17126%0.261CS..Hα-helixtrans-63-41.2175.9-74-45.4000112.6L395 L401 E419 A420 Q423L395-N397 PolarHBondContact O-N 3.25Å; N397-L401 PolarHBondContact O-N 3.19Å; N397-E419 HydrophobicContact CB-CB 4.42Å; N397-E419 WeakPolarHBondContact OD1-CB 3.32Å; N397-A420 HydrophobicContact CB-CB 4.01Å; N397-Q423 PolarHBondContact ND2-OE1 2.98Å
398W98.6Very high97.8Very high7 Ų744.1 Ų44.13%0.02726%0.263CS..Hα-helixtrans-72.5-35.9176.7-64107.5000112.1L353 F357 L372 I376 W394 L395 E396 L401 H402 A420 Q423L353-W398 HydrophobicContact CB-CE3 4.49Å; L353-W398 HydrophobicContact CB-CH2 3.75Å; L353-W398 HydrophobicContact CB-CZ2 3.92Å; L353-W398 HydrophobicContact CB-CZ3 4.04Å; L353-W398 HydrophobicContact CD1-CD2 4.02Å; L353-W398 HydrophobicContact CD1-CE3 4.43Å; L353-W398 HydrophobicContact CD1-CG 4.39Å; L353-W398 HydrophobicContact CD1-CZ2 4.27Å; L353-W398 HydrophobicContact CD2-CD2 4.3Å; L353-W398 HydrophobicContact CD2-CE3 3.92Å; L353-W398 HydrophobicContact CD2-CZ3 4.09Å; F357-W398 HydrophobicContact CB-CH2 4.36Å; F357-W398 HydrophobicContact CB-CZ3 3.93Å; F357-W398 AromaticContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CG-CZ3 4.1Å; L372-W398 HydrophobicContact CD1-CE3 4.02Å; I376-W398 HydrophobicContact CD1-CB 4.11Å; I376-W398 WeakPolarHBondContact CD1-O 3.32Å; I376-W398 HydrophobicContact CG1-CB 3.97Å; W394-W398 AromaticContact CE2-NE1 3.81Å; W394-W398 AromaticContact CE3-CD1 3.73Å; W394-W398 AromaticContact CE3-NE1 3.91Å; W394-W398 AromaticContact CH2-CD1 3.58Å; W394-W398 AromaticContact CH2-NE1 3.08Å; W394-W398 AromaticContact CZ2-NE1 3.32Å; W394-W398 VanDerWaalsContact CZ2-NE1 3.32Å; W394-W398 AromaticContact CZ3-CD1 3.34Å; W394-W398 HydrophobicContact CZ3-CG 4.46Å; W394-W398 AromaticContact CZ3-NE1 3.39Å; L395-W398 PolarHBondContact O-N 3.43Å; E396-W398 PolarHBondContact O-N 3.05Å; W398-L401 HydrophobicContact CE3-CD2 4.03Å; W398-L401 HydrophobicContact CZ3-CD2 4.1Å; W398-L401 PolarHBondContact O-N 3.45Å; W398-H402 WeakPolarHBondContact O-CB 3.45Å; W398-H402 PolarHBondContact O-N 3.34Å; W398-A420 HydrophobicContact CD2-CB 3.76Å; W398-A420 HydrophobicContact CE3-CB 3.85Å; W398-A420 HydrophobicContact CG-CB 4.42Å; W398-A420 HydrophobicContact CH2-CB 3.81Å; W398-A420 HydrophobicContact CZ2-CB 3.73Å; W398-A420 WeakPolarHBondContact CZ2-O 3.29Å; W398-A420 HydrophobicContact CZ3-CB 3.88Å; W398-Q423 VanDerWaalsContact NE1-NE2 3.13Å
399Q98.3Very high97.9Very high57 Ų5744.1 Ų44.127%0.26626%0.257SS..Hα-helixtrans-67.2-40.3174.9-70.1174.8-36.800111.6I376 L395 E396 H402 H403I376-Q399 HydrophobicContact CG2-CG 4.08Å; L395-Q399 WeakPolarHBondContact O-CG 3.3Å; L395-Q399 PolarHBondContact O-N 3.15Å; E396-Q399 PolarHBondContact O-N 2.8Å; Q399-H402 WeakPolarHBondContact O-CB 3.44Å; Q399-H402 PolarHBondContact O-N 3.21Å; Q399-H403 WeakPolarHBondContact O-CB 3.29Å; Q399-H403 PolarHBondContact O-N 2.82Å
400G98.2Very high97.8Very high12 Ų1244.3 Ų44.312%0.12425%0.245CC..Hα-helixtrans-60.8-44.7171.900000111.8E396 H402 H403 A404 F416E396-G400 PolarHBondContact O-N 2.89Å; G400-H402 PolarHBondContact O-N 2.88Å; G400-H403 PolarHBondContact O-N 3.06Å; G400-A404 VanDerWaalsContact O-CB 3.3Å; G400-A404 WeakPolarHBondContact O-CB 3.28Å; G400-A404 PolarHBondContact O-N 3.31Å; G400-F416 WeakPolarHBondContact O-CD2 3.49Å
401L98.6Very high97.8Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-59.3-47.2173178.960.6000111.4F357 L372 N397 W398 H403 A404 I405 I413 F416 R417F357-L401 HydrophobicContact CD1-CD2 3.83Å; F357-L401 HydrophobicContact CE1-CD2 4.18Å; F357-L401 HydrophobicContact CG-CD2 4.06Å; L372-L401 HydrophobicContact CD2-CD2 4.26Å; L372-L401 HydrophobicContact CD2-CG 4.06Å; N397-L401 PolarHBondContact O-N 3.19Å; W398-L401 HydrophobicContact CE3-CD2 4.03Å; W398-L401 HydrophobicContact CZ3-CD2 4.1Å; W398-L401 PolarHBondContact O-N 3.45Å; L401-H403 PolarHBondContact O-N 3.29Å; L401-A404 PolarHBondContact O-N 2.87Å; L401-I405 HydrophobicContact CD1-CD1 3.81Å; L401-I405 HydrophobicContact CD1-CG1 4.06Å; L401-I405 HydrophobicContact CG-CD1 3.85Å; L401-I405 HydrophobicContact CG-CG1 4.45Å; L401-I405 VanDerWaalsContact O-CG1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.14Å; L401-I405 PolarHBondContact O-N 3.43Å; L401-I413 HydrophobicContact CD1-CB 4.49Å; L401-I413 HydrophobicContact CD1-CG2 3.99Å; L401-I413 WeakPolarHBondContact CD1-O 3.35Å; L401-F416 HydrophobicContact CB-CB 3.85Å; L401-R417 HydrophobicContact CD1-CB 4.13Å; L401-R417 HydrophobicContact CD2-CB 4.49Å
402H98.3Very high97.8Very high47 Ų4750.2 Ų50.222%0.21827%0.271CS..Hα-helixtrans-57.7-50.5178.4176.5-83000111.7L372 T373 I376 W398 Q399 G400 I405 A406L372-H402 HydrophobicContact CD2-CB 3.79Å; L372-H402 HydrophobicContact CG-CB 4.2Å; T373-H402 PolarHBondContact OG1-CD2 3Å; T373-H402 PolarHBondContact OG1-NE2 2.85Å; I376-H402 HydrophobicContact CD1-CB 3.77Å; W398-H402 WeakPolarHBondContact O-CB 3.45Å; W398-H402 PolarHBondContact O-N 3.34Å; Q399-H402 WeakPolarHBondContact O-CB 3.44Å; Q399-H402 PolarHBondContact O-N 3.21Å; G400-H402 PolarHBondContact O-N 2.88Å; H402-I405 PolarHBondContact O-N 3.13Å; H402-A406 WeakPolarHBondContact O-CB 3.21Å; H402-A406 PolarHBondContact O-N 2.88Å
403H97.8Very high97.9Very high106 Ų10648.3 Ų48.349%0.49126%0.262SS..Hα-helixtrans-58.8-49.3177.617875.6000111.5Q399 G400 L401 I405 A406 T407 Q409Q399-H403 WeakPolarHBondContact O-CB 3.29Å; Q399-H403 PolarHBondContact O-N 2.82Å; G400-H403 PolarHBondContact O-N 3.06Å; L401-H403 PolarHBondContact O-N 3.29Å; H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 2.71Å; H403-A406 PolarHBondContact O-N 2.95Å; H403-A406 VanDerWaalsContact O-N 3.13Å; H403-T407 PolarHBondContact O-N 2.89Å; H403-T407 PolarHBondContact O-OG1 3.28Å; H403-T407 VanDerWaalsContact O-OG1 3.08Å; H403-Q409 PolarHBondContact CD2-NE2 2.87Å; H403-Q409 PolarHBondContact NE2-NE2 3.22Å
404A98.4Very high97.9Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-61.6-37.8-178.800000112.6G400 L401 G408 Q409 E412 I413G400-A404 VanDerWaalsContact O-CB 3.3Å; G400-A404 WeakPolarHBondContact O-CB 3.28Å; G400-A404 PolarHBondContact O-N 3.31Å; L401-A404 PolarHBondContact O-N 2.87Å; A404-G408 PolarHBondContact O-N 3.27Å; A404-Q409 HydrophobicContact CB-CB 4.13Å; A404-Q409 PolarHBondContact O-N 3.06Å; A404-E412 HydrophobicContact CB-CB 3.71Å; A404-I413 HydrophobicContact CB-CB 4.45Å; A404-I413 HydrophobicContact CB-CG1 3.66Å
405I98.3Very high97.9Very high10 Ų1052.3 Ų52.35%0.05127%0.273CS..Hα-helixtrans-66-46.6173.6-65.3171000110.8F357 Y365 L369 L372 L401 H402 H403 T407 G408 I413F357-I405 HydrophobicContact CE1-CD1 4.14Å; Y365-I405 HydrophobicContact CD1-CD1 3.77Å; Y365-I405 HydrophobicContact CD1-CG1 4.15Å; Y365-I405 HydrophobicContact CG-CD1 4.27Å; Y365-I405 HydrophobicContact CG-CG1 4.23Å; L369-I405 HydrophobicContact CD1-CG2 4.04Å; L369-I405 HydrophobicContact CD2-CB 3.95Å; L369-I405 HydrophobicContact CD2-CG2 3.64Å; L369-I405 HydrophobicContact CG-CB 4.48Å; L369-I405 HydrophobicContact CG-CG2 3.62Å; L372-I405 HydrophobicContact CD2-CD1 3.97Å; L401-I405 HydrophobicContact CD1-CD1 3.81Å; L401-I405 HydrophobicContact CD1-CG1 4.06Å; L401-I405 HydrophobicContact CG-CD1 3.85Å; L401-I405 HydrophobicContact CG-CG1 4.45Å; L401-I405 VanDerWaalsContact O-CG1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.14Å; L401-I405 PolarHBondContact O-N 3.43Å; H402-I405 PolarHBondContact O-N 3.13Å; H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 2.71Å; I405-T407 VanDerWaalsContact C-N 3.28Å; I405-T407 PolarHBondContact O-N 2.78Å; I405-G408 PolarHBondContact O-N 3.05Å; I405-I413 HydrophobicContact CG1-CD1 4.1Å; I405-I413 HydrophobicContact CG1-CG1 3.88Å; I405-I413 HydrophobicContact CG1-CG2 4.36Å
406A96.6Very high97.9Very high49 Ų4954.9 Ų54.941%0.40528%0.284SS..Hα-helixtrans-61.4-36.1-178.300000112.4H402 H403H402-A406 WeakPolarHBondContact O-CB 3.21Å; H402-A406 PolarHBondContact O-N 2.88Å; H403-A406 PolarHBondContact O-N 2.95Å; H403-A406 VanDerWaalsContact O-N 3.13Å
407T96.7Very high98Very high75 Ų7550.7 Ų50.746%0.4626%0.264SS..Hα-helixtrans-96.2-1.9-179.664.40000114.2H403 I405 Q409H403-T407 PolarHBondContact O-N 2.89Å; H403-T407 PolarHBondContact O-OG1 3.28Å; H403-T407 VanDerWaalsContact O-OG1 3.08Å; I405-T407 VanDerWaalsContact C-N 3.28Å; I405-T407 PolarHBondContact O-N 2.78Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.24Å; T407-Q409 PolarHBondContact OG1-NE2 3Å
408G97Very high97.9Very high51 Ų5152.4 Ų52.453%0.52627%0.273SS..THydrogen-bonded Turntrans73.125.217900000115.8A404 I405 R410A404-G408 PolarHBondContact O-N 3.27Å; I405-G408 PolarHBondContact O-N 3.05Å; G408-R410 PolarHBondContact O-N 3.14Å
409Q97.7Very high97.9Very high71 Ų7156 Ų5633%0.33229%0.29SS..  trans-81.488.4-177.2-76.3-178100.600111.7H403 A404 T407 I411 E412 I413H403-Q409 PolarHBondContact CD2-NE2 2.87Å; H403-Q409 PolarHBondContact NE2-NE2 3.22Å; A404-Q409 HydrophobicContact CB-CB 4.13Å; A404-Q409 PolarHBondContact O-N 3.06Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.24Å; T407-Q409 PolarHBondContact OG1-NE2 3Å; Q409-I411 PolarHBondContact O-N 3.33Å; Q409-E412 HydrophobicContact CB-CB 3.96Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.25Å; Q409-E412 PolarHBondContact O-N 2.72Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q409-I413 PolarHBondContact O-N 2.97Å
410R96.7Very high97.9Very high119 Ų11953.5 Ų53.545%0.44928%0.279SS..Hα-helixtrans-59.9-36.7-169-63.7-61.9-66-164.2-9.5115.2G362 D363 G408G362-R410 PolarHBondContact O-NH1 2.79Å; G362-R410 PolarHBondContact O-NH2 2.73Å; D363-R410 IonicContact OD1-NH1 2.84Å; D363-R410 IonicContact OD1-NH2 3.15Å; G408-R410 PolarHBondContact O-N 3.14Å
411I97.5Very high97.8Very high134 Ų13454.8 Ų54.869%0.68728%0.283SS*.Hα-helixtrans-71.7-46.6-178.4-65.8171.9000109.1Q409 I413 E414 H415Q409-I411 PolarHBondContact O-N 3.33Å; I411-I413 PolarHBondContact O-N 2.89Å; I411-E414 PolarHBondContact O-N 2.96Å; I411-H415 PolarHBondContact O-N 3Å
412E98.2Very high97.8Very high69 Ų6960.6 Ų60.632%0.32231%0.314SS..Hα-helixtrans-66.4-37-178.4-66.565.6-150.700111.2A404 Q409 E414 H415 F416A404-E412 HydrophobicContact CB-CB 3.71Å; Q409-E412 HydrophobicContact CB-CB 3.96Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.25Å; Q409-E412 PolarHBondContact O-N 2.72Å; E412-E414 PolarHBondContact O-N 2.99Å; E412-H415 PolarHBondContact O-N 2.98Å; E412-F416 HydrophobicContact CB-CD2 4.35Å; E412-F416 HydrophobicContact CB-CE2 4.42Å; E412-F416 VanDerWaalsContact O-CD2 3.26Å; E412-F416 WeakPolarHBondContact O-CD2 3.44Å; E412-F416 PolarHBondContact O-N 2.81Å
413I98.5Very high97.7Very high4 Ų460.2 Ų60.22%0.02131%0.313CS..Hα-helixtrans-55.3-52.5173.5-73167.2000110.6Y365 L401 A404 I405 Q409 I411 R417Y365-I413 HydrophobicContact CD1-CG2 4.02Å; Y365-I413 HydrophobicContact CD2-CD1 4.48Å; Y365-I413 HydrophobicContact CD2-CG2 3.72Å; Y365-I413 HydrophobicContact CE1-CG2 3.75Å; Y365-I413 HydrophobicContact CE2-CG2 3.43Å; Y365-I413 VanDerWaalsContact CE2-CG2 3.43Å; Y365-I413 HydrophobicContact CG-CG2 4.03Å; Y365-I413 VanDerWaalsContact CZ-CG2 3.43Å; L401-I413 HydrophobicContact CD1-CB 4.49Å; L401-I413 HydrophobicContact CD1-CG2 3.99Å; L401-I413 WeakPolarHBondContact CD1-O 3.35Å; A404-I413 HydrophobicContact CB-CB 4.45Å; A404-I413 HydrophobicContact CB-CG1 3.66Å; I405-I413 HydrophobicContact CG1-CD1 4.1Å; I405-I413 HydrophobicContact CG1-CG1 3.88Å; I405-I413 HydrophobicContact CG1-CG2 4.36Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q409-I413 PolarHBondContact O-N 2.97Å; I411-I413 PolarHBondContact O-N 2.89Å; I413-R417 WeakPolarHBondContact O-CB 3.38Å; I413-R417 PolarHBondContact O-N 2.83Å
414E98Very high97.6Very high51 Ų5161.7 Ų61.724%0.23832%0.32CS..Hα-helixtrans-70.6-35.1-178.2-68.8-58.6150.700112.1Y365 I411 E412 R417 N418Y365-E414 PolarHBondContact OH-OE1 2.91Å; I411-E414 PolarHBondContact O-N 2.96Å; E412-E414 PolarHBondContact O-N 2.99Å; E414-R417 IonicContact OE2-CZ 3.7Å; E414-R417 VanDerWaalsContact OE2-CZ 3.26Å; E414-R417 IonicContact OE2-NE 2.93Å; E414-R417 PolarHBondContact OE2-NE 2.83Å; E414-R417 IonicContact OE2-NH2 3.59Å; E414-R417 PolarHBondContact OE2-NH2 3.28Å; E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 VanDerWaalsContact O-CG 3.25Å; E414-N418 PolarHBondContact O-N 2.91Å; E414-N418 VanDerWaalsContact O-N 3.07Å; E414-N418 PolarHBondContact O-ND2 2.75Å
415H98.3Very high97.5Very high96 Ų9663.4 Ų63.444%0.44433%0.331SS..Hα-helixtrans-58.1-60.1173.6173.759.1000111.2I411 E412 R417 N418 E419I411-H415 PolarHBondContact O-N 3Å; E412-H415 PolarHBondContact O-N 2.98Å; H415-R417 VanDerWaalsContact C-N 3.32Å; H415-R417 PolarHBondContact O-N 2.81Å; H415-N418 PolarHBondContact O-N 2.8Å; H415-N418 VanDerWaalsContact O-N 3.1Å; H415-E419 PolarHBondContact O-N 3.2Å
416F98.5Very high97.4Very high54 Ų5464.5 Ų64.524%0.23734%0.336CS..Hα-helixtrans-65.5-33.7-178-75.8-61.3000112.9G400 L401 E412 N418 E419 A420G400-F416 WeakPolarHBondContact O-CD2 3.49Å; L401-F416 HydrophobicContact CB-CB 3.85Å; E412-F416 HydrophobicContact CB-CD2 4.35Å; E412-F416 HydrophobicContact CB-CE2 4.42Å; E412-F416 VanDerWaalsContact O-CD2 3.26Å; E412-F416 WeakPolarHBondContact O-CD2 3.44Å; E412-F416 PolarHBondContact O-N 2.81Å; F416-N418 VanDerWaalsContact C-N 3.32Å; F416-N418 PolarHBondContact O-N 2.92Å; F416-E419 PolarHBondContact O-N 2.88Å; F416-A420 WeakPolarHBondContact O-CB 3.34Å; F416-A420 PolarHBondContact O-N 3.35Å
417R98.5Very high97.4Very high21 Ų2162.6 Ų62.68%0.07932%0.318CS..Hα-helixtrans-60-42.7172.6-172.6-170.164.163.410.8111.4F357 Y365 L401 I413 E414 H415 N421F357-R417 HydrophobicContact CB-CG 4.37Å; F357-R417 WeakPolarHBondContact O-CD 3.31Å; F357-R417 VanDerWaalsContact O-CG 3.25Å; F357-R417 WeakPolarHBondContact O-CG 3.42Å; Y365-R417 VanDerWaalsContact OH-CD 3.28Å; Y365-R417 WeakPolarHBondContact OH-CD 3.27Å; Y365-R417 PolarHBondContact OH-NE 3.18Å; L401-R417 HydrophobicContact CD1-CB 4.13Å; L401-R417 HydrophobicContact CD2-CB 4.49Å; I413-R417 WeakPolarHBondContact O-CB 3.38Å; I413-R417 PolarHBondContact O-N 2.83Å; E414-R417 IonicContact OE2-CZ 3.7Å; E414-R417 VanDerWaalsContact OE2-CZ 3.26Å; E414-R417 IonicContact OE2-NE 2.93Å; E414-R417 PolarHBondContact OE2-NE 2.83Å; E414-R417 IonicContact OE2-NH2 3.59Å; E414-R417 PolarHBondContact OE2-NH2 3.28Å; H415-R417 VanDerWaalsContact C-N 3.32Å; H415-R417 PolarHBondContact O-N 2.81Å; R417-N421 PolarHBondContact O-N 2.9Å; R417-N421 PolarHBondContact O-ND2 3.23Å
418N98.1Very high97.3Very high68 Ų6863.2 Ų63.236%0.36432%0.318SS..Hα-helixtrans-68.3-48.2178.5-71.7-34.7000111.3E414 H415 F416 A420 N421 N422E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 VanDerWaalsContact O-CG 3.25Å; E414-N418 PolarHBondContact O-N 2.91Å; E414-N418 VanDerWaalsContact O-N 3.07Å; E414-N418 PolarHBondContact O-ND2 2.75Å; H415-N418 PolarHBondContact O-N 2.8Å; H415-N418 VanDerWaalsContact O-N 3.1Å; F416-N418 VanDerWaalsContact C-N 3.32Å; F416-N418 PolarHBondContact O-N 2.92Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 3.26Å; N418-N421 PolarHBondContact O-N 3.44Å; N418-N422 WeakPolarHBondContact O-CB 3.36Å; N418-N422 PolarHBondContact O-N 2.83Å; N418-N422 PolarHBondContact O-ND2 2.71Å
419E98.3Very high96.8Very high82 Ų8263.1 Ų63.138%0.38330%0.303SS..Hα-helixtrans-56.7-46.6176.6-65.1-54.9125.900111.6N397 H415 F416 N421 N422 Q423N397-E419 HydrophobicContact CB-CB 4.42Å; N397-E419 WeakPolarHBondContact OD1-CB 3.32Å; H415-E419 PolarHBondContact O-N 3.2Å; F416-E419 PolarHBondContact O-N 2.88Å; E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.45Å; E419-N422 PolarHBondContact O-N 3.35Å; E419-N422 VanDerWaalsContact O-N 3.15Å; E419-Q423 PolarHBondContact O-N 2.97Å; E419-Q423 VanDerWaalsContact O-N 3.13Å
420A98Very high95.6Very high4 Ų465.3 Ų65.33%0.03333%0.327CS..Hα-helixtrans-63.2-29.8179.600000114.2N397 W398 F416 N418 Q423N397-A420 HydrophobicContact CB-CB 4.01Å; W398-A420 HydrophobicContact CD2-CB 3.76Å; W398-A420 HydrophobicContact CE3-CB 3.85Å; W398-A420 HydrophobicContact CG-CB 4.42Å; W398-A420 HydrophobicContact CH2-CB 3.81Å; W398-A420 HydrophobicContact CZ2-CB 3.73Å; W398-A420 WeakPolarHBondContact CZ2-O 3.29Å; W398-A420 HydrophobicContact CZ3-CB 3.88Å; F416-A420 WeakPolarHBondContact O-CB 3.34Å; F416-A420 PolarHBondContact O-N 3.35Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 3.26Å; A420-Q423 VanDerWaalsContact O-CG 3.25Å; A420-Q423 WeakPolarHBondContact O-CG 3.36Å
421N97Very high94.1Very high39 Ų3962.6 Ų62.621%0.20934%0.336CS..Hα-helixtrans-83.8-26.2175.8-78.7-58.4000113.2F357 R417 N418 E419F357-N421 PolarHBondContact O-ND2 3.45Å; R417-N421 PolarHBondContact O-N 2.9Å; R417-N421 PolarHBondContact O-ND2 3.23Å; N418-N421 PolarHBondContact O-N 3.44Å; E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.45Å
422N97.2Very high92.4Very high122 Ų12260.3 Ų60.365%0.65232%0.321SS*.Hα-helixtrans-81.8-27.2-178.5-70.5-19.3000112.8N418 E419N418-N422 WeakPolarHBondContact O-CB 3.36Å; N418-N422 PolarHBondContact O-N 2.83Å; N418-N422 PolarHBondContact O-ND2 2.71Å; E419-N422 PolarHBondContact O-N 3.35Å; E419-N422 VanDerWaalsContact O-N 3.15Å
423Q96.4Very high89.9Confident40 Ų4071 Ų7119%0.18736%0.358CS..SBendtrans-70.5143.7178.960.6-179.27.100113.6W394 N397 W398 E419 A420W394-Q423 VanDerWaalsContact CD1-CD 3.44Å; W394-Q423 PolarHBondContact O-NE2 2.85Å; W394-Q423 PolarHBondContact O-OE1 2.84Å; N397-Q423 PolarHBondContact ND2-OE1 2.98Å; W398-Q423 VanDerWaalsContact NE1-NE2 3.13Å; E419-Q423 PolarHBondContact O-N 2.97Å; E419-Q423 VanDerWaalsContact O-N 3.13Å; A420-Q423 VanDerWaalsContact O-CG 3.25Å; A420-Q423 WeakPolarHBondContact O-CG 3.36Å
424E95.2Very high89.4Confident136 Ų13674.4 Ų74.464%0.63638%0.375SS*.PPolyproline II helixtrans-86.3154.8176.8-70.9-167.1-171.600113.1W394 K432W394-E424 PolarHBondContact NE1-O 3.48Å; E424-K432 IonicContact OE2-NZ 3.65Å; E424-K432 PolarHBondContact OE2-NZ 3.07Å
425P96.4Very high89Confident36 Ų3675.6 Ų75.623%0.23438%0.383CS..PPolyproline II helixtrans-57.9136.4167-25.436.2000113.1W427 K432P425-W427 HydrophobicContact CB-CD2 4.05Å; P425-W427 HydrophobicContact CB-CE3 3.95Å; P425-W427 HydrophobicContact CB-CH2 3.61Å; P425-W427 HydrophobicContact CB-CZ2 3.75Å; P425-W427 HydrophobicContact CB-CZ3 3.74Å; P425-W427 HydrophobicContact CG-CH2 4.01Å; P425-W427 HydrophobicContact CG-CZ2 4.14Å; P425-K432 PolarHBondContact O-NZ 3.38Å; P425-K432 VanDerWaalsContact O-NZ 3.1Å
426F97.1Very high88.5Confident34 Ų3474.4 Ų74.415%0.14938%0.379CS..  trans-92.5-12.117561.6-97.4000113.9L346 A383 Y386 V390 A391 W394L346-F426 HydrophobicContact CD1-CE2 4.43Å; L346-F426 HydrophobicContact CD2-CZ 4.42Å; A383-F426 HydrophobicContact CB-CE2 4.01Å; A383-F426 HydrophobicContact CB-CZ 3.77Å; Y386-F426 HydrophobicContact CD1-CD2 4.18Å; Y386-F426 WeakPolarHBondContact CD1-O 3.33Å; Y386-F426 AromaticContact CD2-CD2 3.85Å; Y386-F426 HydrophobicContact CD2-CD2 3.85Å; Y386-F426 AromaticContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CE2-CE2 4.44Å; Y386-F426 AromaticContact CG-CD2 3.62Å; Y386-F426 HydrophobicContact CG-CD2 3.62Å; Y386-F426 AromaticContact CG-CE2 3.88Å; Y386-F426 HydrophobicContact CG-CE2 3.88Å; V390-F426 HydrophobicContact CG1-CB 3.86Å; A391-F426 HydrophobicContact CB-CD2 4.18Å; A391-F426 HydrophobicContact CB-CE1 4.3Å; A391-F426 HydrophobicContact CB-CE2 3.86Å; A391-F426 HydrophobicContact CB-CZ 3.92Å; W394-F426 HydrophobicContact CB-CD1 3.69Å; W394-F426 HydrophobicContact CB-CE1 3.89Å; W394-F426 AromaticContact CD1-CD1 3.95Å; W394-F426 HydrophobicContact CD2-CD1 4.03Å; W394-F426 AromaticContact CD2-CE1 3.75Å; W394-F426 HydrophobicContact CD2-CE1 3.75Å; W394-F426 AromaticContact CE3-CE1 3.88Å; W394-F426 HydrophobicContact CE3-CE1 3.88Å; W394-F426 AromaticContact CG-CD1 3.59Å; W394-F426 HydrophobicContact CG-CD1 3.59Å; W394-F426 AromaticContact CG-CE1 3.76Å; W394-F426 HydrophobicContact CG-CE1 3.76Å
427W97.2Very high87.9Confident9 Ų975.6 Ų75.63%0.03439%0.387CS..SBendtrans-96.9164.1-175.366.393.9000113.6L346 S347 A350 Y386 W394 P425 H429L346-W427 HydrophobicContact CB-CD2 3.78Å; L346-W427 HydrophobicContact CB-CE3 4.3Å; L346-W427 HydrophobicContact CB-CG 3.91Å; L346-W427 HydrophobicContact CB-CZ2 4.45Å; L346-W427 HydrophobicContact CD1-CB 3.7Å; L346-W427 HydrophobicContact CD1-CD2 4.23Å; L346-W427 HydrophobicContact CD1-CG 3.85Å; S347-W427 PolarHBondContact OG-NE1 3.16Å; A350-W427 HydrophobicContact CB-CH2 3.37Å; A350-W427 HydrophobicContact CB-CZ2 3.55Å; Y386-W427 HydrophobicContact CD2-CB 4.2Å; Y386-W427 VanDerWaalsContact CE1-CA 3.48Å; Y386-W427 HydrophobicContact CE1-CB 4.01Å; Y386-W427 HydrophobicContact CE2-CB 3.46Å; Y386-W427 VanDerWaalsContact CE2-CB 3.46Å; Y386-W427 WeakPolarHBondContact OH-CB 3.36Å; W394-W427 HydrophobicContact CZ2-CH2 4.15Å; W394-W427 HydrophobicContact CZ2-CZ3 4.05Å; P425-W427 HydrophobicContact CB-CD2 4.05Å; P425-W427 HydrophobicContact CB-CE3 3.95Å; P425-W427 HydrophobicContact CB-CH2 3.61Å; P425-W427 HydrophobicContact CB-CZ2 3.75Å; P425-W427 HydrophobicContact CB-CZ3 3.74Å; P425-W427 HydrophobicContact CG-CH2 4.01Å; P425-W427 HydrophobicContact CG-CZ2 4.14Å; W427-H429 PolarHBondContact O-CD2 3.15Å; W427-H429 PolarHBondContact O-N 2.94Å
428L94.3Very high87.2Confident88 Ų8879.1 Ų79.146%0.46141%0.407SS..  trans-71.5117.5172.9-171.673.4000109.8Y386 K432Y386-L428 PolarHBondContact OH-N 3.17Å; L428-K432 WeakPolarHBondContact CD1-O 3.29Å
429H86.5Confident86.5Confident48 Ų4879.8 Ų79.822%0.22241%0.41CS..  trans-133.9166.6176.964.689.4000110.5W427 G431 K432W427-H429 PolarHBondContact O-CD2 3.15Å; W427-H429 PolarHBondContact O-N 2.94Å; H429-G431 PolarHBondContact ND1-N 2.84Å; H429-G431 VanDerWaalsContact ND1-N 3.2Å; H429-G431 PolarHBondContact O-N 2.84Å; H429-K432 CarbonylContact O-C 3.37Å; H429-K432 PolarHBondContact O-N 2.83Å
430S71.7Confident85.7Confident118 Ų11879.6 Ų79.683%0.82541%0.411SS*.THydrogen-bonded Turntrans-56.7-16.8-174.8540000115.6
431G65.8Low84.7Confident62 Ų6285.5 Ų85.564%0.63944%0.441SS*.THydrogen-bonded Turntrans-92.4-12.2175.700000115.3H429H429-G431 PolarHBondContact ND1-N 2.84Å; H429-G431 VanDerWaalsContact ND1-N 3.2Å; H429-G431 PolarHBondContact O-N 2.84Å
432K61.4Low83.7Confident86 Ų8689.3 Ų89.337%0.37446%0.46SS..  trans-121.189.8172.7-75.2-176.8-179.4-177.80106.4E424 P425 L428 H429E424-K432 IonicContact OE2-NZ 3.65Å; E424-K432 PolarHBondContact OE2-NZ 3.07Å; P425-K432 PolarHBondContact O-NZ 3.38Å; P425-K432 VanDerWaalsContact O-NZ 3.1Å; L428-K432 WeakPolarHBondContact CD1-O 3.29Å; H429-K432 CarbonylContact O-C 3.37Å; H429-K432 PolarHBondContact O-N 2.83Å
433R45.1Very low82.5Confident293 Ų29386.4 Ų86.4100%1.10644%0.442SS*.  trans-97.80168.2-80.4-167.8-173.8-173.12.7110

Retrieved 433 of 433 residues in 349.6 ms (Link to these results)

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