Z4YJY0_MOUSE Loading...

BRISC complex subunit

AlphaFold DB , UniProt , Accession Z4YJY0, Species MOUSE (Mus musculus, Mouse), Gene Abraxas2, Length 424 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
1M32.3Very low49.9Very low243 Ų243117.1 Ų117.1100%1.19764%0.635SS**  0110.40-65.9161.4179.200107.7
2M29.2Very low53.6Low191 Ų191107.5 Ų107.594%0.94158%0.583SS**PPolyproline II helixtrans-77.3127.7153-69.6179.8178.300105.2E4M2-E4 PolarHBondContact O-N 3.18Å
3G31.8Very low56.9Low66 Ų66100.6 Ų100.668%0.6855%0.548SS*.PPolyproline II helixtrans-70.1128.2168.600000107.8V5G3-V5 PolarHBondContact O-N 3.44Å
4E33.4Very low59.8Low194 Ų19493.5 Ų93.591%0.90751%0.509SS*.PPolyproline II helixtrans-57124.8175.1-70.9167.2136.200108.6M2 E6M2-E4 PolarHBondContact O-N 3.18Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.49Å; E4-E6 VanDerWaalsContact O-N 3.12Å
5V40.3Very low62.3Low126 Ų12690.1 Ų90.176%0.76450%0.495SS*.  trans-81.490.6169.7179.10000105.2G3 I7G3-V5 PolarHBondContact O-N 3.44Å; V5-I7 HydrophobicContact CG1-CG1 4.4Å; V5-I7 WeakPolarHBondContact O-CG1 3.14Å; V5-I7 PolarHBondContact O-N 3.31Å
6E44.4Very low64.4Low144 Ų14486.5 Ų86.567%0.67349%0.485SS*.  trans-52.9105.3163.8-93.1-172.6129.800107.9E4 S8E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.49Å; E4-E6 VanDerWaalsContact O-N 3.12Å; E6-S8 PolarHBondContact O-N 3.25Å
7I47Very low66.4Low149 Ų14993.4 Ų93.476%0.76450%0.504SS*.  trans-79.962.7168.4-49.1-178000106.5V5 I9V5-I7 HydrophobicContact CG1-CG1 4.4Å; V5-I7 WeakPolarHBondContact O-CG1 3.14Å; V5-I7 PolarHBondContact O-N 3.31Å; I7-I9 PolarHBondContact O-N 3.44Å
8S57.5Low68.1Low28 Ų2888.8 Ų88.820%0.19648%0.479CS..  trans-63.5107.5170.6-178.80000107.3E6 F59 Q61E6-S8 PolarHBondContact O-N 3.25Å; S8-F59 PolarHBondContact OG-O 3.11Å; S8-Q61 WeakPolarHBondContact OG-CB 3.33Å
9I63Low69.7Low83 Ų8385.8 Ų85.843%0.42646%0.461SS..  trans-59.8142173.3-56.6179.5000106.7I7 E58 L60 Q61I7-I9 PolarHBondContact O-N 3.44Å; I9-E58 WeakPolarHBondContact CD1-OE2 3.47Å; I9-L60 HydrophobicContact CB-CD1 3.86Å; I9-L60 HydrophobicContact CG2-CD1 3.61Å; I9-L60 CarbonylContact O-C 3.57Å; I9-L60 WeakPolarHBondContact O-CA 3.42Å; I9-Q61 PolarHBondContact O-N 3.23Å
10M80Confident71.1Confident28 Ų2885.2 Ų85.214%0.13846%0.464CS..EExtended strand (participates in β ladder)trans-119.4133.1177.6-74.6175.8-74.400111.4Q61 R158 Q165 I167M10-Q61 WeakPolarHBondContact CA-O 3.35Å; M10-Q61 HydrophobicContact CG-CB 4.06Å; M10-R158 WeakPolarHBondContact SD-CD 3.49Å; M10-R158 PolarHBondContact SD-NH1 3.33Å; M10-Q165 VanDerWaalsContact CE-CD 3.47Å; M10-Q165 VanDerWaalsContact CE-NE2 3.28Å; M10-I167 HydrophobicContact CB-CD1 4.36Å; M10-I167 HydrophobicContact CB-CG2 4.31Å; M10-I167 HydrophobicContact CE-CD1 3.92Å; M10-I167 HydrophobicContact CE-CG1 4.02Å; M10-I167 HydrophobicContact SD-CD1 3.44Å; M10-I167 WeakPolarHBondContact SD-CD1 2.79Å; M10-I167 HydrophobicContact SD-CG1 4.16Å
11A89.6Confident72.4Confident36 Ų3682.6 Ų82.630%0.29845%0.454SS..EExtended strand (participates in β ladder)trans-10814915900000108.9L60 Q61 V62 I63A11-L60 HydrophobicContact CB-CD1 4.37Å; A11-Q61 PolarHBondContact N-O 3.34Å; A11-V62 HydrophobicContact CB-CG1 4.45Å; A11-V62 HydrophobicContact CB-CG2 4.43Å; A11-V62 WeakPolarHBondContact O-CA 3.33Å; A11-I63 PolarHBondContact O-N 2.75Å
12A95.1Very high75.4Confident2 Ų271 Ų712%0.01740%0.397CS..EExtended strand (participates in β ladder)trans-128.6143.6165.400000109.8I63 L156 I167 L169 A170A12-I63 CarbonylContact C-O 3.6Å; A12-I63 VanDerWaalsContact CA-O 3.26Å; A12-I63 WeakPolarHBondContact CA-O 3.25Å; A12-I63 HydrophobicContact CB-CB 4.18Å; A12-L156 HydrophobicContact CB-CD2 3.31Å; A12-I167 HydrophobicContact CB-CG2 3.76Å; A12-L169 HydrophobicContact CB-CD1 3.92Å; A12-A170 PolarHBondContact O-N 3.32Å
13S96.1Very high78.6Confident18 Ų1863.1 Ų63.113%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-131.8149.6177.558.30000111.5I63 E64 I65 A170S13-I63 PolarHBondContact N-O 2.85Å; S13-E64 WeakPolarHBondContact OG-CG 3.49Å; S13-I65 WeakPolarHBondContact O-CB 3.4Å; S13-I65 PolarHBondContact O-N 3.48Å; S13-A170 WeakPolarHBondContact CA-O 3.42Å
14I97.8Very high81.7Confident1 Ų166.1 Ų66.11%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-140.3134.1170.6-172.6168.9000109T18 F19 I65 L169 A170 I171 P172I14-T18 HydrophobicContact CD1-CG2 4.12Å; I14-T18 HydrophobicContact CG1-CG2 4.1Å; I14-F19 HydrophobicContact CD1-CB 4.13Å; I14-F19 HydrophobicContact CD1-CD2 4.48Å; I14-F19 HydrophobicContact CG1-CB 4.28Å; I14-F19 HydrophobicContact CG2-CB 4.14Å; I14-F19 HydrophobicContact CG2-CD2 4.07Å; I14-I65 HydrophobicContact CB-CB 4.06Å; I14-I65 HydrophobicContact CB-CD1 4.33Å; I14-I65 HydrophobicContact CD1-CB 4.33Å; I14-I65 HydrophobicContact CD1-CD1 4.47Å; I14-I65 HydrophobicContact CD1-CG2 3.88Å; I14-I65 HydrophobicContact CG1-CB 3.98Å; I14-I65 HydrophobicContact CG1-CG2 3.93Å; I14-L169 HydrophobicContact CB-CD1 4.04Å; I14-L169 HydrophobicContact CG2-CD1 3.79Å; I14-L169 HydrophobicContact CG2-CD2 3.89Å; I14-L169 HydrophobicContact CG2-CG 3.81Å; I14-A170 PolarHBondContact N-O 3.31Å; I14-I171 HydrophobicContact CG2-CG1 3.99Å; I14-P172 WeakPolarHBondContact O-CD 3.48Å
15S96.8Very high84.6Confident43 Ų4360.7 Ų60.730%0.30133%0.329SS..  trans-62.3143.3177.194.10000110.5Y17 T18 F19S15-Y17 PolarHBondContact O-N 2.95Å; S15-Y17 VanDerWaalsContact O-N 3.17Å; S15-T18 PolarHBondContact O-N 3.24Å; S15-T18 WeakPolarHBondContact OG-CB 3.38Å; S15-T18 PolarHBondContact OG-N 3Å; S15-T18 PolarHBondContact OG-OG1 3.33Å; S15-F19 PolarHBondContact O-N 3.47Å
16G96.8Very high87.1Confident32 Ų3254.7 Ų54.733%0.3329%0.293SS..Hα-helixtrans-57-31.9177.900000113S20G16-S20 WeakPolarHBondContact O-CB 3.18Å; G16-S20 PolarHBondContact O-N 3.27Å
17Y97.3Very high89.3Confident204 Ų20450.6 Ų50.680%0.828%0.283SS*.Hα-helixtrans-67.7-45.4174-57.7-71.3000112.2S15 S20 A21S15-Y17 PolarHBondContact O-N 2.95Å; S15-Y17 VanDerWaalsContact O-N 3.17Å; Y17-S20 PolarHBondContact O-N 3.33Å; Y17-A21 VanDerWaalsContact O-CB 3.31Å; Y17-A21 WeakPolarHBondContact O-CB 3.48Å; Y17-A21 PolarHBondContact O-N 3.11Å
18T98.1Very high91.5Very high11 Ų1148.5 Ų48.57%0.06727%0.274CS..Hα-helixtrans-66.8-42.6178.9-50.40000111.2I14 S15 A21 V22 I65 H66I14-T18 HydrophobicContact CD1-CG2 4.12Å; I14-T18 HydrophobicContact CG1-CG2 4.1Å; S15-T18 PolarHBondContact O-N 3.24Å; S15-T18 WeakPolarHBondContact OG-CB 3.38Å; S15-T18 PolarHBondContact OG-N 3Å; S15-T18 PolarHBondContact OG-OG1 3.33Å; T18-A21 PolarHBondContact O-N 3.21Å; T18-V22 WeakPolarHBondContact O-CG2 3.43Å; T18-V22 PolarHBondContact O-N 2.87Å; T18-I65 HydrophobicContact CG2-CG2 4.43Å; T18-H66 PolarHBondContact OG1-O 3Å
19F97.9Very high93Very high32 Ų3248.3 Ų48.314%0.1427%0.272CS..Hα-helixtrans-59.1-51.7173.3-175.4-90.1000110.9I14 S15 A21 V22 C23 F139 Y154 I171I14-F19 HydrophobicContact CD1-CB 4.13Å; I14-F19 HydrophobicContact CD1-CD2 4.48Å; I14-F19 HydrophobicContact CG1-CB 4.28Å; I14-F19 HydrophobicContact CG2-CB 4.14Å; I14-F19 HydrophobicContact CG2-CD2 4.07Å; S15-F19 PolarHBondContact O-N 3.47Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.03Å; F19-V22 PolarHBondContact O-N 3.47Å; F19-C23 PolarHBondContact O-N 3.02Å; F19-C23 PolarHBondContact O-SG 3.18Å; F19-F139 HydrophobicContact CD2-CE1 4.28Å; F19-F139 AromaticContact CE2-CE1 3.7Å; F19-F139 HydrophobicContact CE2-CE1 3.7Å; F19-F139 HydrophobicContact CE2-CZ 4.31Å; F19-F139 HydrophobicContact CZ-CE1 4.08Å; F19-Y154 AromaticContact CE2-CD1 3.77Å; F19-Y154 HydrophobicContact CE2-CD1 3.77Å; F19-Y154 HydrophobicContact CE2-CD2 4.06Å; F19-Y154 AromaticContact CE2-CE1 3.88Å; F19-Y154 HydrophobicContact CE2-CE1 3.88Å; F19-Y154 HydrophobicContact CE2-CE2 4.15Å; F19-Y154 AromaticContact CE2-CG 3.86Å; F19-Y154 HydrophobicContact CE2-CG 3.86Å; F19-Y154 AromaticContact CZ-CD1 3.57Å; F19-Y154 HydrophobicContact CZ-CD1 3.57Å; F19-Y154 AromaticContact CZ-CE1 3.6Å; F19-Y154 HydrophobicContact CZ-CE1 3.6Å; F19-Y154 HydrophobicContact CZ-CG 4.14Å; F19-I171 HydrophobicContact CB-CD1 4.44Å; F19-I171 HydrophobicContact CD1-CD1 4.07Å; F19-I171 HydrophobicContact CD2-CD1 3.88Å; F19-I171 HydrophobicContact CE1-CD1 4.28Å; F19-I171 HydrophobicContact CE2-CD1 4.09Å; F19-I171 HydrophobicContact CG-CD1 3.87Å; F19-I171 HydrophobicContact CZ-CD1 4.3Å
20S97.9Very high94Very high73 Ų7352.5 Ų52.551%0.5130%0.296SS..Hα-helixtrans-58.9-38.7176.8-172.50000112.7G16 Y17 C23 F24G16-S20 WeakPolarHBondContact O-CB 3.18Å; G16-S20 PolarHBondContact O-N 3.27Å; Y17-S20 PolarHBondContact O-N 3.33Å; S20-C23 WeakPolarHBondContact O-CB 3.26Å; S20-C23 PolarHBondContact O-N 2.93Å; S20-F24 WeakPolarHBondContact O-CB 3.18Å; S20-F24 PolarHBondContact O-N 2.75Å
21A97.6Very high94.5Very high30 Ų3053.6 Ų53.625%0.24831%0.309CS..Hα-helixtrans-64.1-42.1176.200000112.2Y17 T18 F19 C23 F24 H25Y17-A21 VanDerWaalsContact O-CB 3.31Å; Y17-A21 WeakPolarHBondContact O-CB 3.48Å; Y17-A21 PolarHBondContact O-N 3.11Å; T18-A21 PolarHBondContact O-N 3.21Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.03Å; A21-C23 VanDerWaalsContact C-N 3.33Å; A21-F24 PolarHBondContact O-N 2.8Å; A21-H25 PolarHBondContact O-N 3.41Å; A21-H25 VanDerWaalsContact O-N 3.08Å; A21-H25 PolarHBondContact O-ND1 3.14Å
22V96.8Very high94.6Very high0 Ų054 Ų540%031%0.306CS..Hα-helixtrans-62.2-42.5173.2175.80000110.6T18 F19 S26 H68 Y104 F139T18-V22 WeakPolarHBondContact O-CG2 3.43Å; T18-V22 PolarHBondContact O-N 2.87Å; F19-V22 PolarHBondContact O-N 3.47Å; V22-S26 VanDerWaalsContact O-CB 3.27Å; V22-S26 WeakPolarHBondContact O-CB 3.32Å; V22-S26 PolarHBondContact O-N 3.37Å; V22-S26 PolarHBondContact O-OG 2.94Å; V22-H68 HydrophobicContact CG2-CB 3.87Å; V22-Y104 HydrophobicContact CG1-CD2 3.97Å; V22-Y104 HydrophobicContact CG1-CE2 3.87Å; V22-F139 HydrophobicContact CB-CZ 4.29Å; V22-F139 HydrophobicContact CG1-CD2 4.36Å; V22-F139 HydrophobicContact CG1-CE1 4.47Å; V22-F139 HydrophobicContact CG1-CE2 3.56Å; V22-F139 HydrophobicContact CG1-CZ 3.63Å
23C95.9Very high94.6Very high25 Ų2554.9 Ų54.917%0.16931%0.31CS..Hα-helixtrans-60.5-45.2175.9-61.20000112.3F19 S20 A21 S26 A27 L152F19-C23 PolarHBondContact O-N 3.02Å; F19-C23 PolarHBondContact O-SG 3.18Å; S20-C23 WeakPolarHBondContact O-CB 3.26Å; S20-C23 PolarHBondContact O-N 2.93Å; A21-C23 VanDerWaalsContact C-N 3.33Å; C23-S26 PolarHBondContact O-N 3.22Å; C23-A27 VanDerWaalsContact O-CB 3.3Å; C23-A27 WeakPolarHBondContact O-CB 3.2Å; C23-A27 PolarHBondContact O-N 2.94Å; C23-L152 HydrophobicContact CB-CD2 4.12Å; C23-L152 WeakPolarHBondContact SG-CD2 3.33Å
24F96Very high94.6Very high129 Ų12954.1 Ų54.157%0.56630%0.304SS*.Hα-helixtrans-62.8-50.3179.2176.8-104.8000112.4S20 A21 S26 A27 N28S20-F24 WeakPolarHBondContact O-CB 3.18Å; S20-F24 PolarHBondContact O-N 2.75Å; A21-F24 PolarHBondContact O-N 2.8Å; F24-S26 VanDerWaalsContact C-N 3.25Å; F24-S26 PolarHBondContact O-N 3.27Å; F24-A27 PolarHBondContact O-N 2.73Å; F24-N28 WeakPolarHBondContact CE1-ND2 3.26Å; F24-N28 WeakPolarHBondContact CE2-ND2 3.41Å; F24-N28 VanDerWaalsContact CZ-ND2 3.26Å; F24-N28 WeakPolarHBondContact CZ-ND2 3.06Å; F24-N28 PolarHBondContact O-N 3.34Å; F24-N28 VanDerWaalsContact O-N 3.13Å; F24-N28 PolarHBondContact O-ND2 3.48Å
25H93.8Very high94.5Very high80 Ų8054 Ų5437%0.3730%0.304SS..Hα-helixtrans-59.6-38.1176.2-71.593.7000111.9A21 S29 H68A21-H25 PolarHBondContact O-N 3.41Å; A21-H25 VanDerWaalsContact O-N 3.08Å; A21-H25 PolarHBondContact O-ND1 3.14Å; H25-S29 PolarHBondContact O-N 3.06Å; H25-H68 AromaticContact CE1-CE1 3.9Å; H25-H68 AromaticContact CE1-NE2 3.79Å; H25-H68 AromaticContact CG-NE2 3.97Å; H25-H68 AromaticContact ND1-CE1 3.75Å; H25-H68 AromaticContact ND1-NE2 3.37Å; H25-H68 PolarHBondContact ND1-NE2 3.5Å
26S92.9Very high94.6Very high0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-74.3-35.3179.3-55.60000113.2V22 C23 F24 N28 S29 F106V22-S26 VanDerWaalsContact O-CB 3.27Å; V22-S26 WeakPolarHBondContact O-CB 3.32Å; V22-S26 PolarHBondContact O-N 3.37Å; V22-S26 PolarHBondContact O-OG 2.94Å; C23-S26 PolarHBondContact O-N 3.22Å; F24-S26 VanDerWaalsContact C-N 3.25Å; F24-S26 PolarHBondContact O-N 3.27Å; S26-N28 VanDerWaalsContact C-N 3.34Å; S26-S29 WeakPolarHBondContact O-CB 3.33Å; S26-S29 PolarHBondContact O-N 3.05Å; S26-S29 VanDerWaalsContact O-N 3.13Å; S26-F106 VanDerWaalsContact CB-CG 3.43Å
27A92.1Very high94.7Very high58 Ų5850.5 Ų50.548%0.47927%0.274SS..Hα-helixtrans-64.2-40.8175.600000111.4C23 F24 S29C23-A27 VanDerWaalsContact O-CB 3.3Å; C23-A27 WeakPolarHBondContact O-CB 3.2Å; C23-A27 PolarHBondContact O-N 2.94Å; F24-A27 PolarHBondContact O-N 2.73Å; A27-S29 PolarHBondContact O-N 3.4Å
28N92.1Very high94.7Very high106 Ų10641.3 Ų41.357%0.56724%0.239SC*.THydrogen-bonded Turntrans-71.9-3.3174.3-65-31.2000113.8F24 S26F24-N28 WeakPolarHBondContact CE1-ND2 3.26Å; F24-N28 WeakPolarHBondContact CE2-ND2 3.41Å; F24-N28 VanDerWaalsContact CZ-ND2 3.26Å; F24-N28 WeakPolarHBondContact CZ-ND2 3.06Å; F24-N28 PolarHBondContact O-N 3.34Å; F24-N28 VanDerWaalsContact O-N 3.13Å; F24-N28 PolarHBondContact O-ND2 3.48Å; S26-N28 VanDerWaalsContact C-N 3.34Å
29S88.9Confident94.6Very high23 Ų2341.3 Ų41.316%0.16124%0.241CC..  trans-91.5121.9173.7-176.10000111.7H25 S26 A27 A31 R108H25-S29 PolarHBondContact O-N 3.06Å; S26-S29 WeakPolarHBondContact O-CB 3.33Å; S26-S29 PolarHBondContact O-N 3.05Å; S26-S29 VanDerWaalsContact O-N 3.13Å; A27-S29 PolarHBondContact O-N 3.4Å; S29-A31 WeakPolarHBondContact CB-O 3.45Å; S29-A31 PolarHBondContact O-N 2.87Å; S29-A31 PolarHBondContact OG-N 3.31Å; S29-A31 PolarHBondContact OG-O 3.38Å; S29-R108 PolarHBondContact O-NH1 3.1Å
30N85.1Confident94.4Very high171 Ų17144.2 Ų44.291%0.91426%0.255SS*.SBendtrans-73.40.9172.8-65.3-15.1000113.5
31A89.3Confident94.2Very high51 Ų5143.9 Ų43.942%0.42125%0.25SC..SBendtrans-144.2179.8-178.500000111.3S29 H33S29-A31 WeakPolarHBondContact CB-O 3.45Å; S29-A31 PolarHBondContact O-N 2.87Å; S29-A31 PolarHBondContact OG-N 3.31Å; S29-A31 PolarHBondContact OG-O 3.38Å; A31-H33 PolarHBondContact O-N 3.4Å
32D92.3Very high93.9Very high44 Ų4446.5 Ų46.524%0.23525%0.253CS..  trans-45.5139.1162.8-97.432.5000110.6L74 R105 F106 R107D32-L74 HydrophobicContact CB-CD1 3.81Å; D32-L74 HydrophobicContact CB-CD2 3.99Å; D32-L74 HydrophobicContact CB-CG 4.47Å; D32-L74 WeakPolarHBondContact O-CD2 3.2Å; D32-R105 IonicContact OD2-CZ 2.79Å; D32-R105 VanDerWaalsContact OD2-CZ 3.27Å; D32-R105 IonicContact OD2-NE 2.81Å; D32-R105 PolarHBondContact OD2-NE 2.91Å; D32-R105 IonicContact OD2-NH2 2.76Å; D32-R105 PolarHBondContact OD2-NH2 3.11Å; D32-F106 WeakPolarHBondContact CA-O 3.48Å; D32-R107 WeakPolarHBondContact OD1-CA 3.44Å
33H94.4Very high93.5Very high21 Ų2152.8 Ų52.810%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-129147.4179.5179.358.1000110.3A31 Y104 R105 F106A31-H33 PolarHBondContact O-N 3.4Å; H33-Y104 AromaticContact CD2-CE2 3.76Å; H33-Y104 AromaticContact NE2-CE2 3.96Å; H33-Y104 AromaticContact NE2-CZ 3.82Å; H33-Y104 PolarHBondContact NE2-OH 3.12Å; H33-R105 CarbonylContact O-C 3.58Å; H33-R105 WeakPolarHBondContact O-CA 3.38Å; H33-F106 HydrophobicContact CB-CB 4.38Å; H33-F106 PolarHBondContact N-O 3.36Å; H33-F106 VanDerWaalsContact N-O 3.08Å; H33-F106 PolarHBondContact O-N 3.03Å
34E96.4Very high93Very high2 Ų255.8 Ų55.81%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-147.6160.2-175.467.1-169.2172.600112.3C71 L74 F75 F77 Y78 Y104 R105E34-C71 HydrophobicContact CG-CB 4.22Å; E34-C71 VanDerWaalsContact O-CB 3.31Å; E34-C71 WeakPolarHBondContact O-CB 3.33Å; E34-C71 PolarHBondContact O-N 2.94Å; E34-L74 HydrophobicContact CG-CD2 4.04Å; E34-L74 VanDerWaalsContact OE1-CA 3.31Å; E34-L74 WeakPolarHBondContact OE1-CA 3.39Å; E34-F75 PolarHBondContact OE1-N 3.2Å; E34-F77 HydrophobicContact CG-CE1 4.39Å; E34-Y78 VanDerWaalsContact OE1-CE1 3.26Å; E34-Y78 WeakPolarHBondContact OE1-CE1 3.42Å; E34-Y78 PolarHBondContact OE1-OH 2.93Å; E34-Y104 WeakPolarHBondContact CA-O 3.02Å; E34-R105 HydrophobicContact CB-CB 4.4Å; E34-R105 HydrophobicContact CB-CG 4.25Å; E34-R105 IonicContact OE2-CZ 2.73Å; E34-R105 IonicContact OE2-NH1 2.71Å; E34-R105 PolarHBondContact OE2-NH1 3.04Å
35G97.2Very high92.4Very high0 Ų054.4 Ų54.40%029%0.29CS..EExtended strand (participates in β ladder)trans-179.3-173.517900000113.4Q69 W103 Y104G35-Q69 CarbonylContact C-O 3.56Å; G35-Q69 WeakPolarHBondContact CA-O 3.44Å; G35-W103 CarbonylContact O-C 3.59Å; G35-W103 WeakPolarHBondContact O-CA 3.4Å; G35-W103 WeakPolarHBondContact O-CB 3.35Å; G35-Y104 VanDerWaalsContact C-CD1 3.48Å; G35-Y104 VanDerWaalsContact C-CE1 3.43Å; G35-Y104 PolarHBondContact N-O 3.34Å; G35-Y104 VanDerWaalsContact N-O 3.08Å; G35-Y104 WeakPolarHBondContact O-CD1 3.06Å; G35-Y104 PolarHBondContact O-N 3.16Å
36F98.1Very high91.7Very high0 Ų052.9 Ų52.90%029%0.286CS..EExtended strand (participates in β ladder)trans-105.9150.3-177.6-63.8-83.9000111.6H68 Q69 F77 L89 I92 L93 V100 W103 L125F36-H68 CarbonylContact O-C 3.48Å; F36-H68 VanDerWaalsContact O-CA 3.28Å; F36-H68 WeakPolarHBondContact O-CA 3.32Å; F36-Q69 HydrophobicContact CB-CB 4.47Å; F36-Q69 PolarHBondContact N-O 3.42Å; F36-Q69 PolarHBondContact O-N 3.08Å; F36-F77 HydrophobicContact CE2-CD1 4.16Å; F36-F77 HydrophobicContact CE2-CE1 4.19Å; F36-F77 HydrophobicContact CE2-CG 4.48Å; F36-F77 HydrophobicContact CZ-CD1 4.11Å; F36-F77 HydrophobicContact CZ-CD2 4.04Å; F36-F77 AromaticContact CZ-CE1 4Å; F36-F77 HydrophobicContact CZ-CE1 4Å; F36-F77 AromaticContact CZ-CE2 3.93Å; F36-F77 HydrophobicContact CZ-CE2 3.93Å; F36-F77 HydrophobicContact CZ-CG 4.14Å; F36-F77 AromaticContact CZ-CZ 3.91Å; F36-F77 HydrophobicContact CZ-CZ 3.91Å; F36-L89 HydrophobicContact CE1-CD1 3.82Å; F36-L89 HydrophobicContact CE2-CD1 3.92Å; F36-L89 HydrophobicContact CZ-CD1 3.31Å; F36-I92 HydrophobicContact CD2-CG2 4.38Å; F36-I92 HydrophobicContact CE2-CG2 4.35Å; F36-L93 HydrophobicContact CB-CD2 3.92Å; F36-L93 HydrophobicContact CD1-CD2 4.36Å; F36-L93 HydrophobicContact CD2-CD2 3.75Å; F36-L93 HydrophobicContact CE2-CD2 4.42Å; F36-L93 HydrophobicContact CG-CD2 3.72Å; F36-V100 HydrophobicContact CB-CG1 4.4Å; F36-V100 HydrophobicContact CD1-CG1 4.04Å; F36-W103 HydrophobicContact CD1-CB 4Å; F36-W103 HydrophobicContact CE1-CB 4.29Å; F36-L125 HydrophobicContact CE1-CD1 4.01Å; F36-L125 HydrophobicContact CE1-CD2 4.01Å; F36-L125 HydrophobicContact CZ-CD2 4.36Å
37L98.2Very high90.8Very high0 Ų059 Ų590%031%0.313CS..EExtended strand (participates in β ladder)trans-103.1125.9176-60.1172.8000108.8I65 V100 I101 G102 Y104 L137L37-I65 HydrophobicContact CB-CG2 4.37Å; L37-I65 HydrophobicContact CD1-CD1 4.13Å; L37-I65 HydrophobicContact CD2-CG2 4.13Å; L37-V100 WeakPolarHBondContact O-CA 3.41Å; L37-I101 HydrophobicContact CB-CG1 4.46Å; L37-I101 PolarHBondContact O-N 3.09Å; L37-G102 PolarHBondContact N-O 3.01Å; L37-G102 PolarHBondContact O-N 3.41Å; L37-Y104 HydrophobicContact CD2-CD1 3.78Å; L37-Y104 HydrophobicContact CD2-CG 4.34Å; L37-Y104 HydrophobicContact CG-CD1 4.28Å; L37-L137 HydrophobicContact CD1-CB 3.85Å; L37-L137 HydrophobicContact CD1-CD2 4.43Å
38L97.8Very high89.6Confident12 Ų1258.8 Ų58.86%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-112.2132.5-176.2-57.8-179.9000110H66 N67 Q69 R96 K99 V100L38-H66 PolarHBondContact O-N 3.37Å; L38-N67 WeakPolarHBondContact CA-O 3.3Å; L38-N67 HydrophobicContact CB-CB 4.49Å; L38-N67 PolarHBondContact N-O 2.83Å; L38-N67 PolarHBondContact O-N 3.4Å; L38-N67 VanDerWaalsContact O-O 3.07Å; L38-Q69 HydrophobicContact CD1-CB 4.3Å; L38-R96 HydrophobicContact CD1-CB 4.25Å; L38-R96 HydrophobicContact CD2-CB 4.41Å; L38-K99 VanDerWaalsContact CA-O 3.27Å; L38-K99 WeakPolarHBondContact CA-O 3.38Å; L38-K99 HydrophobicContact CD2-CB 4.39Å; L38-V100 HydrophobicContact CD2-CB 4.45Å; L38-V100 HydrophobicContact CD2-CG2 3.68Å
39G96.5Very high88.2Confident11 Ų1161.3 Ų61.311%0.11332%0.319CS..EExtended strand (participates in β ladder)trans173.6-148.4-174.600000111.9E64 K99G39-E64 VanDerWaalsContact CA-O 3.27Å; G39-E64 WeakPolarHBondContact CA-O 3.43Å; G39-K99 PolarHBondContact N-O 3.42Å
40E94.1Very high87.3Confident92 Ų9263 Ų6343%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-140.9166.6176.265-173.3-137.800111.9R42 E64 H66E40-R42 IonicContact OE1-NH1 2.66Å; E40-E64 PolarHBondContact N-O 2.96Å; E40-E64 VanDerWaalsContact N-O 3.12Å; E40-E64 PolarHBondContact O-N 3.12Å; E40-H66 IonicContact OE2-CE1 3.66Å; E40-H66 PolarHBondContact OE2-CE1 3.23Å
41V92.9Very high86.9Confident66 Ų6663.3 Ų63.340%0.433%0.333SS..EExtended strand (participates in β ladder)trans-127.5119.2170.4-176.50000106.9Q61 V62 I63 I101V41-Q61 HydrophobicContact CG1-CG 3.62Å; V41-V62 WeakPolarHBondContact CA-O 3.48Å; V41-I63 HydrophobicContact CG1-CG1 4.12Å; V41-I63 HydrophobicContact CG2-CG1 4.12Å; V41-I63 HydrophobicContact CG2-CG2 4.3Å; V41-I101 HydrophobicContact CG2-CB 4.31Å; V41-I101 HydrophobicContact CG2-CG2 3.91Å
42R90.8Very high86Confident86 Ų8664.1 Ų64.133%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-108.6154.2174.662.5177169.7-90.3-1.6110.5E40 E44 V62 E64E40-R42 IonicContact OE1-NH1 2.66Å; R42-E44 IonicContact NE-OE2 2.63Å; R42-E44 PolarHBondContact NE-OE2 2.9Å; R42-V62 HydrophobicContact CG-CB 3.86Å; R42-V62 PolarHBondContact N-O 3.41Å; R42-V62 PolarHBondContact O-N 2.71Å; R42-E64 IonicContact CZ-OE2 3.55Å; R42-E64 VanDerWaalsContact CZ-OE2 3.25Å; R42-E64 IonicContact NH1-OE2 3.22Å; R42-E64 PolarHBondContact NH1-OE2 2.99Å; R42-E64 IonicContact NH2-OE2 3.38Å; R42-E64 PolarHBondContact NH2-OE2 3.32Å
43Q87.8Confident84.4Confident132 Ų13271.3 Ų71.362%0.61737%0.368SS*.EExtended strand (participates in β ladder)trans-99.4129.4161.4-73.1175.8-55.300107.4L60Q43-L60 WeakPolarHBondContact CA-O 3.3Å
44E86.1Confident83Confident88 Ų8876 Ų7641%0.41139%0.393SS..EExtended strand (participates in β ladder)trans-114.3119.2179.5-165.4166.9144.300107.2R42 T46 L60 V62R42-E44 IonicContact NE-OE2 2.63Å; R42-E44 PolarHBondContact NE-OE2 2.9Å; E44-T46 PolarHBondContact O-N 2.9Å; E44-L60 HydrophobicContact CB-CB 4.34Å; E44-L60 PolarHBondContact N-O 2.89Å; E44-L60 PolarHBondContact O-N 3.37Å; E44-V62 HydrophobicContact CB-CG2 4.16Å
45E83.8Confident81.6Confident100 Ų10080.4 Ų80.447%0.46742%0.423SS..EExtended strand (participates in β ladder)trans-77.3114.9179.5-169.2177.7175.800108.7F47 T57 F59E45-F47 VanDerWaalsContact CD-CZ 3.43Å; E45-F47 HydrophobicContact CG-CE1 4.26Å; E45-F47 HydrophobicContact CG-CE2 4.15Å; E45-F47 HydrophobicContact CG-CZ 3.79Å; E45-F47 WeakPolarHBondContact OE1-CE1 3.5Å; E45-F47 WeakPolarHBondContact OE1-CZ 3.44Å; E45-T57 HydrophobicContact CG-CG2 3.53Å; E45-T57 VanDerWaalsContact OE1-CG2 3.26Å; E45-T57 WeakPolarHBondContact OE1-CG2 3.35Å; E45-F59 HydrophobicContact CB-CD1 4.18Å; E45-F59 HydrophobicContact CB-CE1 3.88Å; E45-F59 HydrophobicContact CG-CD1 4.27Å; E45-F59 HydrophobicContact CG-CE1 3.7Å; E45-F59 HydrophobicContact CG-CZ 4.26Å
46T78.6Confident80.3Confident48 Ų4884.4 Ų84.429%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-111.7129.2-178.2630000110.3E44 E58 L60E44-T46 PolarHBondContact O-N 2.9Å; T46-E58 PolarHBondContact N-O 3.47Å; T46-E58 PolarHBondContact O-N 2.84Å; T46-E58 PolarHBondContact OG1-O 2.86Å; T46-L60 HydrophobicContact CG2-CB 3.97Å; T46-L60 HydrophobicContact CG2-CD2 4.32Å
47F75.3Confident79.1Confident128 Ų12887 Ų8756%0.56146%0.461SS*.EExtended strand (participates in β ladder)trans-103107.9-179.8-59-81000109.2E45 I49 T57E45-F47 VanDerWaalsContact CD-CZ 3.43Å; E45-F47 HydrophobicContact CG-CE1 4.26Å; E45-F47 HydrophobicContact CG-CE2 4.15Å; E45-F47 HydrophobicContact CG-CZ 3.79Å; E45-F47 WeakPolarHBondContact OE1-CE1 3.5Å; E45-F47 WeakPolarHBondContact OE1-CZ 3.44Å; F47-I49 PolarHBondContact O-N 2.87Å; F47-T57 WeakPolarHBondContact CE1-OG1 3.34Å
48S66.3Low78.2Confident54 Ų5490.3 Ų90.338%0.37848%0.476SS..EExtended strand (participates in β ladder)trans-84.1104.9172.455.10000109.3S50 N56S48-S50 PolarHBondContact O-N 3.36Å; S48-N56 PolarHBondContact N-O 2.69Å; S48-N56 VanDerWaalsContact N-O 3.1Å; S48-N56 PolarHBondContact OG-O 3.03Å
49I62Low77.4Confident158 Ų15893.9 Ų93.981%0.8149%0.491SS*.EExtended strand (participates in β ladder)trans-80.6105.4173.5-57.4179.1000107.9F47F47-I49 PolarHBondContact O-N 2.87Å
50S70.6Confident76.9Confident59 Ų5995 Ų9541%0.41349%0.494SS..  trans-85146168.8-178.70000110.7S48 S52 Q53S48-S50 PolarHBondContact O-N 3.36Å; S50-S52 WeakPolarHBondContact CB-OG 3.47Å; S50-S52 PolarHBondContact O-N 2.99Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 PolarHBondContact OG-OG 3.07Å; S50-Q53 PolarHBondContact O-N 3.42Å
51D75.5Confident76.5Confident178 Ų17891.8 Ų91.895%0.95248%0.48SS*.THydrogen-bonded Turntrans-58-10.5170.8-57.9-55.5000113.7Q53D51-Q53 PolarHBondContact O-N 3.39Å
52S70.7Confident76.4Confident67 Ų6789.1 Ų89.147%0.46946%0.463SS..THydrogen-bonded Turntrans-86.410.5-177.463.60000115.5S50 I54S50-S52 WeakPolarHBondContact CB-OG 3.47Å; S50-S52 PolarHBondContact O-N 2.99Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 PolarHBondContact OG-OG 3.07Å; S52-I54 PolarHBondContact O-N 3.44Å
53Q60Low76.6Confident195 Ų19585.1 Ų85.191%0.91145%0.448SS*.SBendtrans60.63.1-173.9-62.8179.9-69.200115.7S50 D51S50-Q53 PolarHBondContact O-N 3.42Å; D51-Q53 PolarHBondContact O-N 3.39Å
54I63.7Low77Confident121 Ų12181.6 Ų81.662%0.62143%0.432SS*.  trans-89.3112.9170.6-59.5171.1000108.2S52S52-I54 PolarHBondContact O-N 3.44Å
55S67.2Low77.6Confident94 Ų9477.5 Ų77.566%0.65741%0.413SS*.EExtended strand (participates in β ladder)trans-85.2122.316754.90000109.8
56N69.9Low78.2Confident83 Ų8376.9 Ų76.944%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-104.1137167.9-164.742.5000110.1S48 E58S48-N56 PolarHBondContact N-O 2.69Å; S48-N56 VanDerWaalsContact N-O 3.1Å; S48-N56 PolarHBondContact OG-O 3.03Å; N56-E58 WeakPolarHBondContact ND2-CG 3.41Å; N56-E58 PolarHBondContact ND2-OE1 3.43Å
57T74.1Confident79Confident55 Ų5578.6 Ų78.634%0.33742%0.417SS..EExtended strand (participates in β ladder)trans-98126172.2-70.30000108.8E45 F47 F59E45-T57 HydrophobicContact CG-CG2 3.53Å; E45-T57 VanDerWaalsContact OE1-CG2 3.26Å; E45-T57 WeakPolarHBondContact OE1-CG2 3.35Å; F47-T57 WeakPolarHBondContact CE1-OG1 3.34Å; T57-F59 HydrophobicContact CG2-CE1 4.49Å; T57-F59 HydrophobicContact CG2-CE2 4.09Å; T57-F59 HydrophobicContact CG2-CZ 3.99Å
58E79.3Confident80.1Confident69 Ų6973 Ų7332%0.32239%0.393SS..EExtended strand (participates in β ladder)trans-126125.8178.9-69.5174.2-151.200110.5I9 T46 N56 L60I9-E58 WeakPolarHBondContact CD1-OE2 3.47Å; T46-E58 PolarHBondContact N-O 3.47Å; T46-E58 PolarHBondContact O-N 2.84Å; T46-E58 PolarHBondContact OG1-O 2.86Å; N56-E58 WeakPolarHBondContact ND2-CG 3.41Å; N56-E58 PolarHBondContact ND2-OE1 3.43Å; E58-L60 PolarHBondContact O-N 3.25Å
59F81.3Confident81.5Confident88 Ų8872.4 Ų72.439%0.38638%0.384SS..EExtended strand (participates in β ladder)trans-87.9104.5179.1-67.4-73000111.1S8 E45 T57S8-F59 PolarHBondContact OG-O 3.11Å; E45-F59 HydrophobicContact CB-CD1 4.18Å; E45-F59 HydrophobicContact CB-CE1 3.88Å; E45-F59 HydrophobicContact CG-CD1 4.27Å; E45-F59 HydrophobicContact CG-CE1 3.7Å; E45-F59 HydrophobicContact CG-CZ 4.26Å; T57-F59 HydrophobicContact CG2-CE1 4.49Å; T57-F59 HydrophobicContact CG2-CE2 4.09Å; T57-F59 HydrophobicContact CG2-CZ 3.99Å
60L84.3Confident83.1Confident34 Ų3466.4 Ų66.418%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-79.5114.1175.6-178.774.4000109.5I9 A11 Q43 E44 T46 E58 V62I9-L60 HydrophobicContact CB-CD1 3.86Å; I9-L60 HydrophobicContact CG2-CD1 3.61Å; I9-L60 CarbonylContact O-C 3.57Å; I9-L60 WeakPolarHBondContact O-CA 3.42Å; A11-L60 HydrophobicContact CB-CD1 4.37Å; Q43-L60 WeakPolarHBondContact CA-O 3.3Å; E44-L60 HydrophobicContact CB-CB 4.34Å; E44-L60 PolarHBondContact N-O 2.89Å; E44-L60 PolarHBondContact O-N 3.37Å; T46-L60 HydrophobicContact CG2-CB 3.97Å; T46-L60 HydrophobicContact CG2-CD2 4.32Å; E58-L60 PolarHBondContact O-N 3.25Å; L60-V62 HydrophobicContact CD2-CG2 3.6Å; L60-V62 HydrophobicContact CG-CG2 3.72Å; L60-V62 PolarHBondContact O-N 2.93Å
61Q87.1Confident84.1Confident25 Ų2563.9 Ų63.912%0.11734%0.337CS..EExtended strand (participates in β ladder)trans-82.6101.5173.9-176.31793500109.1S8 I9 M10 A11 V41 R158S8-Q61 WeakPolarHBondContact OG-CB 3.33Å; I9-Q61 PolarHBondContact O-N 3.23Å; M10-Q61 WeakPolarHBondContact CA-O 3.35Å; M10-Q61 HydrophobicContact CG-CB 4.06Å; A11-Q61 PolarHBondContact N-O 3.34Å; V41-Q61 HydrophobicContact CG1-CG 3.62Å; Q61-R158 VanDerWaalsContact OE1-NH1 3.07Å
62V90.9Very high84.5Confident10 Ų1061.8 Ų61.86%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-96.2121.3-177.7-173.10000110.4A11 V41 R42 E44 L60A11-V62 HydrophobicContact CB-CG1 4.45Å; A11-V62 HydrophobicContact CB-CG2 4.43Å; A11-V62 WeakPolarHBondContact O-CA 3.33Å; V41-V62 WeakPolarHBondContact CA-O 3.48Å; R42-V62 HydrophobicContact CG-CB 3.86Å; R42-V62 PolarHBondContact N-O 3.41Å; R42-V62 PolarHBondContact O-N 2.71Å; E44-V62 HydrophobicContact CB-CG2 4.16Å; L60-V62 HydrophobicContact CD2-CG2 3.6Å; L60-V62 HydrophobicContact CG-CG2 3.72Å; L60-V62 PolarHBondContact O-N 2.93Å
63I94.5Very high85.2Confident2 Ų265.7 Ų65.71%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-103.1106.1-179.9-56.4178.7000108.9A11 A12 S13 V41 I101 V135 I167A11-I63 PolarHBondContact O-N 2.75Å; A12-I63 CarbonylContact C-O 3.6Å; A12-I63 VanDerWaalsContact CA-O 3.26Å; A12-I63 WeakPolarHBondContact CA-O 3.25Å; A12-I63 HydrophobicContact CB-CB 4.18Å; S13-I63 PolarHBondContact N-O 2.85Å; V41-I63 HydrophobicContact CG1-CG1 4.12Å; V41-I63 HydrophobicContact CG2-CG1 4.12Å; V41-I63 HydrophobicContact CG2-CG2 4.3Å; I63-I101 HydrophobicContact CG2-CD1 3.9Å; I63-V135 HydrophobicContact CD1-CG1 3.62Å; I63-V135 HydrophobicContact CG2-CG2 4.31Å; I63-I167 HydrophobicContact CD1-CD1 4.19Å
64E96.2Very high86.6Confident58 Ų5858.2 Ų58.227%0.27131%0.313SS..EExtended strand (participates in β ladder)trans-106.9115-176.1-172157.3174.400112S13 G39 E40 R42 H66 I101S13-E64 WeakPolarHBondContact OG-CG 3.49Å; G39-E64 VanDerWaalsContact CA-O 3.27Å; G39-E64 WeakPolarHBondContact CA-O 3.43Å; E40-E64 PolarHBondContact N-O 2.96Å; E40-E64 VanDerWaalsContact N-O 3.12Å; E40-E64 PolarHBondContact O-N 3.12Å; R42-E64 IonicContact CZ-OE2 3.55Å; R42-E64 VanDerWaalsContact CZ-OE2 3.25Å; R42-E64 IonicContact NH1-OE2 3.22Å; R42-E64 PolarHBondContact NH1-OE2 2.99Å; R42-E64 IonicContact NH2-OE2 3.38Å; R42-E64 PolarHBondContact NH2-OE2 3.32Å; E64-H66 PolarHBondContact O-N 3.14Å; E64-I101 WeakPolarHBondContact O-CD1 3.41Å
65I97.9Very high87.9Confident1 Ų155.6 Ų55.61%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-91.398.2-177-57.4166000109.6S13 I14 T18 L37 I101 L169S13-I65 WeakPolarHBondContact O-CB 3.4Å; S13-I65 PolarHBondContact O-N 3.48Å; I14-I65 HydrophobicContact CB-CB 4.06Å; I14-I65 HydrophobicContact CB-CD1 4.33Å; I14-I65 HydrophobicContact CD1-CB 4.33Å; I14-I65 HydrophobicContact CD1-CD1 4.47Å; I14-I65 HydrophobicContact CD1-CG2 3.88Å; I14-I65 HydrophobicContact CG1-CB 3.98Å; I14-I65 HydrophobicContact CG1-CG2 3.93Å; T18-I65 HydrophobicContact CG2-CG2 4.43Å; L37-I65 HydrophobicContact CB-CG2 4.37Å; L37-I65 HydrophobicContact CD1-CD1 4.13Å; L37-I65 HydrophobicContact CD2-CG2 4.13Å; I65-I101 HydrophobicContact CB-CD1 4.48Å; I65-I101 HydrophobicContact CG1-CD1 3.84Å; I65-L169 HydrophobicContact CD1-CD1 4.2Å
66H96.4Very high89.1Confident88 Ų8852.5 Ų52.541%0.40728%0.276SS..EExtended strand (participates in β ladder)trans-73.5-46178.5-61.1154.5000112.7T18 L38 E40 E64T18-H66 PolarHBondContact OG1-O 3Å; L38-H66 PolarHBondContact O-N 3.37Å; E40-H66 IonicContact OE2-CE1 3.66Å; E40-H66 PolarHBondContact OE2-CE1 3.23Å; E64-H66 PolarHBondContact O-N 3.14Å
67N96.4Very high90.4Very high83 Ų8348.6 Ų48.644%0.44426%0.255SS..EExtended strand (participates in β ladder)trans-152.7174.2-173.7-157.1-2.6000112L38L38-N67 WeakPolarHBondContact CA-O 3.3Å; L38-N67 HydrophobicContact CB-CB 4.49Å; L38-N67 PolarHBondContact N-O 2.83Å; L38-N67 PolarHBondContact O-N 3.4Å; L38-N67 VanDerWaalsContact O-O 3.07Å
68H97.1Very high91.4Very high12 Ų1246.3 Ų46.36%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-121.7163.317173.1-56.3000112.1V22 H25 F36 Y104V22-H68 HydrophobicContact CG2-CB 3.87Å; H25-H68 AromaticContact CE1-CE1 3.9Å; H25-H68 AromaticContact CE1-NE2 3.79Å; H25-H68 AromaticContact CG-NE2 3.97Å; H25-H68 AromaticContact ND1-CE1 3.75Å; H25-H68 AromaticContact ND1-NE2 3.37Å; H25-H68 PolarHBondContact ND1-NE2 3.5Å; F36-H68 CarbonylContact O-C 3.48Å; F36-H68 VanDerWaalsContact O-CA 3.28Å; F36-H68 WeakPolarHBondContact O-CA 3.32Å; H68-Y104 HydrophobicContact CB-CE1 3.99Å; H68-Y104 AromaticContact CD2-CE1 3.99Å
69Q96.3Very high92.2Very high40 Ų4046.4 Ų46.419%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-124.6102.1165.8174.555.771.500108.5G35 F36 L38 I92G35-Q69 CarbonylContact C-O 3.56Å; G35-Q69 WeakPolarHBondContact CA-O 3.44Å; F36-Q69 HydrophobicContact CB-CB 4.47Å; F36-Q69 PolarHBondContact N-O 3.42Å; F36-Q69 PolarHBondContact O-N 3.08Å; L38-Q69 HydrophobicContact CD1-CB 4.3Å; Q69-I92 HydrophobicContact CG-CG2 4.16Å
70P94.8Very high92.8Very high33 Ų3351.3 Ų51.321%0.21426%0.261CS..EExtended strand (participates in β ladder)trans-67.1144.6176.927.1-32.9000111.2Y104P70-Y104 WeakPolarHBondContact CA-OH 3.41Å
71C92.8Very high93.3Very high5 Ų553.6 Ų53.63%0.03429%0.285CS..  trans-88.8138.1168.4-690000110.2E34 Q73 S76E34-C71 HydrophobicContact CG-CB 4.22Å; E34-C71 VanDerWaalsContact O-CB 3.31Å; E34-C71 WeakPolarHBondContact O-CB 3.33Å; E34-C71 PolarHBondContact O-N 2.94Å; C71-Q73 PolarHBondContact O-N 2.98Å; C71-S76 WeakPolarHBondContact CB-OG 3.26Å
72S82.6Confident93.7Very high134 Ų13452.8 Ų52.894%0.93728%0.281SS*.SBendtrans-69.7-18-176.5-46.90000114.2
73Q86.7Confident94Very high149 Ų14956.9 Ų56.970%0.69630%0.298SS*.SBendtrans-158.2153.2179.2-164.3179.4-33.300109.7C71 S76C71-Q73 PolarHBondContact O-N 2.98Å; Q73-S76 WeakPolarHBondContact O-CB 3.31Å; Q73-S76 PolarHBondContact O-N 2.88Å; Q73-S76 PolarHBondContact O-OG 3.19Å
74L88.4Confident94.1Very high38 Ų3856.9 Ų56.920%0.19930%0.298CS..THydrogen-bonded Turntrans-58.6150.5164-62.5175.2000111.3D32 E34 S76D32-L74 HydrophobicContact CB-CD1 3.81Å; D32-L74 HydrophobicContact CB-CD2 3.99Å; D32-L74 HydrophobicContact CB-CG 4.47Å; D32-L74 WeakPolarHBondContact O-CD2 3.2Å; E34-L74 HydrophobicContact CG-CD2 4.04Å; E34-L74 VanDerWaalsContact OE1-CA 3.31Å; E34-L74 WeakPolarHBondContact OE1-CA 3.39Å; L74-S76 PolarHBondContact O-N 2.86Å
75F91.6Very high94.1Very high66 Ų6657.3 Ų57.329%0.28930%0.303SS..THydrogen-bonded Turntrans61.919.5-178.5-54.8-95.3000113.7E34 F77 Y78 Y80E34-F75 PolarHBondContact OE1-N 3.2Å; F75-F77 VanDerWaalsContact C-N 3.31Å; F75-F77 PolarHBondContact O-N 3.37Å; F75-Y78 CarbonylContact C-O 3.51Å; F75-Y78 VanDerWaalsContact CA-O 3.31Å; F75-Y78 WeakPolarHBondContact CA-O 3.47Å; F75-Y78 HydrophobicContact CB-CE2 4.33Å; F75-Y78 WeakPolarHBondContact CB-O 3.27Å; F75-Y78 AromaticContact CD1-CD2 3.81Å; F75-Y78 HydrophobicContact CD1-CD2 3.81Å; F75-Y78 AromaticContact CD1-CE2 3.2Å; F75-Y78 HydrophobicContact CD1-CE2 3.2Å; F75-Y78 AromaticContact CD1-CZ 3.91Å; F75-Y78 HydrophobicContact CE1-CD2 4.37Å; F75-Y78 AromaticContact CE1-CE2 3.55Å; F75-Y78 HydrophobicContact CE1-CE2 3.55Å; F75-Y78 AromaticContact CG-CE2 3.82Å; F75-Y78 HydrophobicContact CG-CE2 3.82Å; F75-Y78 HydrophobicContact CZ-CE2 4.4Å; F75-Y78 VanDerWaalsContact O-O 3.04Å; F75-Y80 HydrophobicContact CE1-CD1 4.12Å; F75-Y80 HydrophobicContact CE1-CE1 4.48Å; F75-Y80 HydrophobicContact CZ-CD1 4.42Å; F75-Y80 HydrophobicContact CZ-CE1 4.49Å
76S93.3Very high94Very high30 Ų3061.5 Ų61.521%0.2132%0.322CS..SBendtrans-73.2-19.8-178.549.50000114.2C71 Q73 L74 S88C71-S76 WeakPolarHBondContact CB-OG 3.26Å; Q73-S76 WeakPolarHBondContact O-CB 3.31Å; Q73-S76 PolarHBondContact O-N 2.88Å; Q73-S76 PolarHBondContact O-OG 3.19Å; L74-S76 PolarHBondContact O-N 2.86Å; S76-S88 WeakPolarHBondContact O-CB 3.39Å
77F95.6Very high94Very high1 Ų164.6 Ų64.60%0.00434%0.337CS..SBendtrans-128.65.8177.467.3-85.8000113.9E34 F36 F75 V84 N85 L89 I92 W103 I121 L125E34-F77 HydrophobicContact CG-CE1 4.39Å; F36-F77 HydrophobicContact CE2-CD1 4.16Å; F36-F77 HydrophobicContact CE2-CE1 4.19Å; F36-F77 HydrophobicContact CE2-CG 4.48Å; F36-F77 HydrophobicContact CZ-CD1 4.11Å; F36-F77 HydrophobicContact CZ-CD2 4.04Å; F36-F77 AromaticContact CZ-CE1 4Å; F36-F77 HydrophobicContact CZ-CE1 4Å; F36-F77 AromaticContact CZ-CE2 3.93Å; F36-F77 HydrophobicContact CZ-CE2 3.93Å; F36-F77 HydrophobicContact CZ-CG 4.14Å; F36-F77 AromaticContact CZ-CZ 3.91Å; F36-F77 HydrophobicContact CZ-CZ 3.91Å; F75-F77 VanDerWaalsContact C-N 3.31Å; F75-F77 PolarHBondContact O-N 3.37Å; F77-V84 HydrophobicContact CD2-CG1 4.41Å; F77-N85 PolarHBondContact O-N 3.3Å; F77-L89 HydrophobicContact CD2-CD1 4.45Å; F77-I92 HydrophobicContact CB-CD1 4.08Å; F77-W103 HydrophobicContact CZ-CE3 4.21Å; F77-W103 HydrophobicContact CZ-CZ3 4.22Å; F77-I121 HydrophobicContact CE2-CG2 3.83Å; F77-I121 HydrophobicContact CZ-CG2 4.27Å; F77-L125 HydrophobicContact CD2-CD2 4.3Å; F77-L125 HydrophobicContact CE2-CD1 4.1Å; F77-L125 HydrophobicContact CE2-CD2 4.03Å; F77-L125 HydrophobicContact CE2-CG 4.41Å
78Y96.1Very high93.8Very high6 Ų661.4 Ų61.42%0.02432%0.321CS..BIsolated β-bridgetrans-153.1152.6-179.969.3-93.5000111.3E34 F75 K83 R105 I121E34-Y78 VanDerWaalsContact OE1-CE1 3.26Å; E34-Y78 WeakPolarHBondContact OE1-CE1 3.42Å; E34-Y78 PolarHBondContact OE1-OH 2.93Å; F75-Y78 CarbonylContact C-O 3.51Å; F75-Y78 VanDerWaalsContact CA-O 3.31Å; F75-Y78 WeakPolarHBondContact CA-O 3.47Å; F75-Y78 HydrophobicContact CB-CE2 4.33Å; F75-Y78 WeakPolarHBondContact CB-O 3.27Å; F75-Y78 AromaticContact CD1-CD2 3.81Å; F75-Y78 HydrophobicContact CD1-CD2 3.81Å; F75-Y78 AromaticContact CD1-CE2 3.2Å; F75-Y78 HydrophobicContact CD1-CE2 3.2Å; F75-Y78 AromaticContact CD1-CZ 3.91Å; F75-Y78 HydrophobicContact CE1-CD2 4.37Å; F75-Y78 AromaticContact CE1-CE2 3.55Å; F75-Y78 HydrophobicContact CE1-CE2 3.55Å; F75-Y78 AromaticContact CG-CE2 3.82Å; F75-Y78 HydrophobicContact CG-CE2 3.82Å; F75-Y78 HydrophobicContact CZ-CE2 4.4Å; F75-Y78 VanDerWaalsContact O-O 3.04Å; Y78-K83 CarbonylContact C-O 3.53Å; Y78-K83 WeakPolarHBondContact CA-O 3.44Å; Y78-K83 WeakPolarHBondContact CB-O 3.31Å; Y78-R105 PolarHBondContact OH-NH1 2.74Å; Y78-I121 HydrophobicContact CD1-CD1 3.64Å; Y78-I121 HydrophobicContact CD1-CG1 4.46Å; Y78-I121 HydrophobicContact CD2-CD1 3.61Å; Y78-I121 HydrophobicContact CD2-CG1 4.35Å; Y78-I121 HydrophobicContact CE1-CD1 3.68Å; Y78-I121 HydrophobicContact CE2-CD1 3.69Å; Y78-I121 HydrophobicContact CG-CD1 3.62Å; Y78-I121 HydrophobicContact CG-CG1 4.19Å
79D94.8Very high93.7Very high72 Ų7260.8 Ų60.839%0.38532%0.318SS..  trans-92.1-176.7-174.873.28.3000114.7A81 S82 K83D79-A81 VanDerWaalsContact C-N 3.3Å; D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact OD1-C 3.25Å; D79-A81 VanDerWaalsContact OD1-CA 3.3Å; D79-A81 WeakPolarHBondContact OD1-CA 3.12Å; D79-A81 WeakPolarHBondContact OD1-CB 3.3Å; D79-A81 PolarHBondContact OD1-N 3.2Å; D79-S82 WeakPolarHBondContact O-CA 3.44Å; D79-S82 PolarHBondContact O-N 3.31Å; D79-S82 PolarHBondContact OD1-N 3.17Å; D79-K83 PolarHBondContact N-O 3.05Å; D79-K83 PolarHBondContact OD1-N 2.91Å
80Y94.8Very high93.6Very high191 Ų19162 Ų6275%0.74933%0.326SS*.THydrogen-bonded Turntrans-62.6-34.3176.9-69.5-81.7000113.4F75 S82 R117F75-Y80 HydrophobicContact CE1-CD1 4.12Å; F75-Y80 HydrophobicContact CE1-CE1 4.48Å; F75-Y80 HydrophobicContact CZ-CD1 4.42Å; F75-Y80 HydrophobicContact CZ-CE1 4.49Å; Y80-S82 PolarHBondContact O-N 2.79Å; Y80-R117 PolarHBondContact O-NH2 2.71Å; Y80-R117 VanDerWaalsContact O-NH2 3.09Å
81A95.3Very high93.6Very high82 Ų8267.7 Ų67.768%0.67834%0.343SS*.THydrogen-bonded Turntrans-71.2-2.2171.900000112.9D79 K83D79-A81 VanDerWaalsContact C-N 3.3Å; D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact OD1-C 3.25Å; D79-A81 VanDerWaalsContact OD1-CA 3.3Å; D79-A81 WeakPolarHBondContact OD1-CA 3.12Å; D79-A81 WeakPolarHBondContact OD1-CB 3.3Å; D79-A81 PolarHBondContact OD1-N 3.2Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 2.91Å
82S95.2Very high93.7Very high7 Ų768.9 Ų68.95%0.04935%0.349CS..  trans66.425.2-177.8-41.30000113.5D79 Y80 R117 Q124D79-S82 WeakPolarHBondContact O-CA 3.44Å; D79-S82 PolarHBondContact O-N 3.31Å; D79-S82 PolarHBondContact OD1-N 3.17Å; Y80-S82 PolarHBondContact O-N 2.79Å; S82-R117 PolarHBondContact OG-NE 2.76Å; S82-Q124 PolarHBondContact O-NE2 2.88Å
83K97.3Very high94.2Very high96 Ų9662.6 Ų62.642%0.41731%0.305SS..PPolyproline II helixtrans-81.7126.4170.5167.858.1-179.4133.30109.3Y78 D79 A81Y78-K83 CarbonylContact C-O 3.53Å; Y78-K83 WeakPolarHBondContact CA-O 3.44Å; Y78-K83 WeakPolarHBondContact CB-O 3.31Å; D79-K83 PolarHBondContact N-O 3.05Å; D79-K83 PolarHBondContact OD1-N 2.91Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 2.91Å
84V97.3Very high94.5Very high2 Ų262.2 Ų62.21%0.01230%0.301CS..BIsolated β-bridgetrans-73.2134.9176.3175.70000110.6F77 L89 I121 Q124 L125 I128F77-V84 HydrophobicContact CD2-CG1 4.41Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; V84-I121 HydrophobicContact CG2-CG2 4.27Å; V84-Q124 HydrophobicContact CB-CB 4.24Å; V84-Q124 HydrophobicContact CG2-CB 3.72Å; V84-L125 HydrophobicContact CG1-CD2 4.31Å; V84-L125 HydrophobicContact CG2-CD2 4.48Å; V84-I128 HydrophobicContact CB-CD1 3.77Å; V84-I128 HydrophobicContact CG1-CD1 3.67Å
85N96.2Very high94.7Very high68 Ų6866.7 Ų66.736%0.36433%0.325SS..PPolyproline II helixtrans-102.6119.8174.6175.7-63.4000109.7F77 E87 S88 L89F77-N85 PolarHBondContact O-N 3.3Å; N85-E87 PolarHBondContact OD1-N 3.38Å; N85-S88 VanDerWaalsContact OD1-CB 3.27Å; N85-S88 WeakPolarHBondContact OD1-CB 3.36Å; N85-S88 PolarHBondContact OD1-N 3.41Å; N85-S88 PolarHBondContact OD1-OG 2.88Å; N85-L89 WeakPolarHBondContact O-CB 3.47Å; N85-L89 PolarHBondContact O-N 3.13Å; N85-L89 VanDerWaalsContact O-N 3.17Å
86E95.3Very high94.7Very high88 Ų8866.9 Ų66.941%0.41132%0.324SS..Hα-helixtrans-79.6-35.6-167.7-56.6-176.7-151.800112.1S88 L89 D90 I128E86-S88 VanDerWaalsContact C-N 3.32Å; E86-S88 PolarHBondContact O-N 3.3Å; E86-L89 WeakPolarHBondContact O-CB 3.27Å; E86-L89 PolarHBondContact O-N 2.85Å; E86-D90 PolarHBondContact O-N 2.95Å; E86-I128 HydrophobicContact CG-CD1 4.06Å; E86-I128 HydrophobicContact CG-CG1 4.39Å; E86-I128 HydrophobicContact CG-CG2 3.84Å
87E95.3Very high94.6Very high153 Ų15368.8 Ų68.872%0.71533%0.327SS*.Hα-helixtrans-60.9-40.6173.5-56.4175.616800112.2N85 R91N85-E87 PolarHBondContact OD1-N 3.38Å; E87-R91 WeakPolarHBondContact O-CB 3.26Å; E87-R91 PolarHBondContact O-N 2.77Å
88S94Very high94.4Very high16 Ų1678.7 Ų78.711%0.11237%0.369CS..Hα-helixtrans-71.2-36.6177.8-63.50000111.7S76 N85 E86 R91 I92S76-S88 WeakPolarHBondContact O-CB 3.39Å; N85-S88 VanDerWaalsContact OD1-CB 3.27Å; N85-S88 WeakPolarHBondContact OD1-CB 3.36Å; N85-S88 PolarHBondContact OD1-N 3.41Å; N85-S88 PolarHBondContact OD1-OG 2.88Å; E86-S88 VanDerWaalsContact C-N 3.32Å; E86-S88 PolarHBondContact O-N 3.3Å; S88-R91 VanDerWaalsContact CB-NH2 3.3Å; S88-R91 PolarHBondContact O-N 3.23Å; S88-R91 PolarHBondContact OG-NH2 2.89Å; S88-I92 WeakPolarHBondContact O-CD1 3.32Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.2Å; S88-I92 VanDerWaalsContact O-N 3.14Å
89L94.4Very high94.4Very high0 Ų084.9 Ų84.90%040%0.396CS..Hα-helixtrans-63-46.7173.8-17562.5000111.2F36 F77 V84 N85 E86 I92 L93 L125 I128 L129F36-L89 HydrophobicContact CE1-CD1 3.82Å; F36-L89 HydrophobicContact CE2-CD1 3.92Å; F36-L89 HydrophobicContact CZ-CD1 3.31Å; F77-L89 HydrophobicContact CD2-CD1 4.45Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; N85-L89 WeakPolarHBondContact O-CB 3.47Å; N85-L89 PolarHBondContact O-N 3.13Å; N85-L89 VanDerWaalsContact O-N 3.17Å; E86-L89 WeakPolarHBondContact O-CB 3.27Å; E86-L89 PolarHBondContact O-N 2.85Å; L89-I92 PolarHBondContact O-N 3.23Å; L89-L93 HydrophobicContact CD1-CD1 3.68Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 3.88Å; L89-L93 WeakPolarHBondContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.86Å; L89-L125 HydrophobicContact CD1-CD2 4.17Å; L89-L125 HydrophobicContact CD2-CD2 4.08Å; L89-I128 HydrophobicContact CD2-CG2 3.68Å; L89-L129 HydrophobicContact CD2-CD2 3.93Å; L89-L129 HydrophobicContact CD2-CG 4.45Å; L89-L129 HydrophobicContact CG-CD2 4.44Å
90D93.9Very high94.5Very high66 Ų6681.7 Ų81.735%0.35338%0.38SS..Hα-helixtrans-66.6-36.6176-79.7-36.9000112.8E86 I92 K94 R97E86-D90 PolarHBondContact O-N 2.95Å; D90-I92 VanDerWaalsContact C-N 3.27Å; D90-I92 PolarHBondContact O-N 3.1Å; D90-K94 VanDerWaalsContact O-CA 3.3Å; D90-K94 WeakPolarHBondContact O-CA 3.38Å; D90-K94 PolarHBondContact O-N 3.27Å; D90-R97 WeakPolarHBondContact OD1-CD 3.13Å; D90-R97 IonicContact OD1-CZ 3.32Å; D90-R97 IonicContact OD1-NE 2.64Å; D90-R97 IonicContact OD1-NH1 2.91Å; D90-R97 PolarHBondContact OD1-NH1 2.85Å; D90-R97 IonicContact OD2-NH1 3.12Å; D90-R97 PolarHBondContact OD2-NH1 3.09Å
91R94.5Very high94.6Very high152 Ų15273.2 Ų73.257%0.57435%0.347SS*.Hα-helixtrans-62-32.6173.5-176.8176.663.3-123.3-8.5113E87 S88 K94E87-R91 WeakPolarHBondContact O-CB 3.26Å; E87-R91 PolarHBondContact O-N 2.77Å; S88-R91 VanDerWaalsContact CB-NH2 3.3Å; S88-R91 PolarHBondContact O-N 3.23Å; S88-R91 PolarHBondContact OG-NH2 2.89Å; R91-K94 WeakPolarHBondContact O-CE 3.44Å; R91-K94 WeakPolarHBondContact O-CG 3.43Å
92I94.5Very high94.6Very high30 Ų3069.3 Ų69.315%0.15432%0.315CS..Hα-helixtrans-82.4-50.2179.3-69.6163.5000111.1F36 Q69 F77 S88 L89 D90F36-I92 HydrophobicContact CD2-CG2 4.38Å; F36-I92 HydrophobicContact CE2-CG2 4.35Å; Q69-I92 HydrophobicContact CG-CG2 4.16Å; F77-I92 HydrophobicContact CB-CD1 4.08Å; S88-I92 WeakPolarHBondContact O-CD1 3.32Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.2Å; S88-I92 VanDerWaalsContact O-N 3.14Å; L89-I92 PolarHBondContact O-N 3.23Å; D90-I92 VanDerWaalsContact C-N 3.27Å; D90-I92 PolarHBondContact O-N 3.1Å
93L93.9Very high94.8Very high1 Ų169 Ų691%0.00531%0.313CS..Hα-helixtrans-76.4-39.4-175.1-66.6176.7000112.8F36 L89 R96 R97 V100 L129F36-L93 HydrophobicContact CB-CD2 3.92Å; F36-L93 HydrophobicContact CD1-CD2 4.36Å; F36-L93 HydrophobicContact CD2-CD2 3.75Å; F36-L93 HydrophobicContact CE2-CD2 4.42Å; F36-L93 HydrophobicContact CG-CD2 3.72Å; L89-L93 HydrophobicContact CD1-CD1 3.68Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 3.88Å; L89-L93 WeakPolarHBondContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.86Å; L93-R96 WeakPolarHBondContact O-CB 3.46Å; L93-R96 PolarHBondContact O-N 2.98Å; L93-R96 VanDerWaalsContact O-N 3.13Å; L93-R97 HydrophobicContact CB-CB 4.12Å; L93-R97 HydrophobicContact CD1-CB 4.19Å; L93-R97 HydrophobicContact CD1-CG 4.16Å; L93-V100 HydrophobicContact CD1-CG2 3.88Å; L93-V100 HydrophobicContact CD2-CG2 3.61Å; L93-V100 HydrophobicContact CG-CG2 4.35Å; L93-L129 HydrophobicContact CD1-CD2 3.75Å
94K92.7Very high94.8Very high141 Ų14164.4 Ų64.461%0.61329%0.293SS*.G310 helixtrans53.9-134.9-174.9-52.6178.8-176.8177.60110.9D90 R91 R96 R97D90-K94 VanDerWaalsContact O-CA 3.3Å; D90-K94 WeakPolarHBondContact O-CA 3.38Å; D90-K94 PolarHBondContact O-N 3.27Å; R91-K94 WeakPolarHBondContact O-CE 3.44Å; R91-K94 WeakPolarHBondContact O-CG 3.43Å; K94-R96 PolarHBondContact O-N 3.34Å; K94-R96 VanDerWaalsContact O-N 3.11Å; K94-R97 PolarHBondContact O-N 2.84Å
95D92.1Very high94.8Very high133 Ų13365.4 Ų65.471%0.71130%0.296SS*.G310 helixtrans-52.7-26.7174.663.7-56000114.2R97D95-R97 VanDerWaalsContact C-N 3.33Å; D95-R97 PolarHBondContact O-N 3.28Å
96R92.1Very high94.9Very high69 Ų6962.3 Ų62.326%0.2628%0.28SS..G310 helixtrans-83.3-0-173.2-64.3163.1-64.515414.3114.3L38 L93 K94 K98 K99L38-R96 HydrophobicContact CD1-CB 4.25Å; L38-R96 HydrophobicContact CD2-CB 4.41Å; L93-R96 WeakPolarHBondContact O-CB 3.46Å; L93-R96 PolarHBondContact O-N 2.98Å; L93-R96 VanDerWaalsContact O-N 3.13Å; K94-R96 PolarHBondContact O-N 3.34Å; K94-R96 VanDerWaalsContact O-N 3.11Å; R96-K98 PolarHBondContact O-N 2.93Å; R96-K98 VanDerWaalsContact O-N 3.13Å; R96-K99 PolarHBondContact O-N 3.11Å
97R91.9Very high94.9Very high71 Ų7159.5 Ų59.527%0.26827%0.265SS..G310 helixtrans-51.3-37.2177.8-180168.6172.7-179.80.8113.2D90 L93 K94 D95 K99 V100 I128 L129D90-R97 WeakPolarHBondContact OD1-CD 3.13Å; D90-R97 IonicContact OD1-CZ 3.32Å; D90-R97 IonicContact OD1-NE 2.64Å; D90-R97 IonicContact OD1-NH1 2.91Å; D90-R97 PolarHBondContact OD1-NH1 2.85Å; D90-R97 IonicContact OD2-NH1 3.12Å; D90-R97 PolarHBondContact OD2-NH1 3.09Å; L93-R97 HydrophobicContact CB-CB 4.12Å; L93-R97 HydrophobicContact CD1-CB 4.19Å; L93-R97 HydrophobicContact CD1-CG 4.16Å; K94-R97 PolarHBondContact O-N 2.84Å; D95-R97 VanDerWaalsContact C-N 3.33Å; D95-R97 PolarHBondContact O-N 3.28Å; R97-K99 VanDerWaalsContact C-N 3.25Å; R97-K99 PolarHBondContact O-N 3.05Å; R97-V100 PolarHBondContact O-N 3.31Å; R97-I128 PolarHBondContact NH2-O 3.4Å; R97-L129 HydrophobicContact CG-CD2 3.98Å
98K91.4Very high94.8Very high208 Ų20856.3 Ų56.390%0.90425%0.247SC*.G310 helixtrans-69.5-13.3177.4-67.3-171.7177.6-175.10115.2R96R96-K98 PolarHBondContact O-N 2.93Å; R96-K98 VanDerWaalsContact O-N 3.13Å
99K94.9Very high94.6Very high136 Ų13660.8 Ų60.859%0.59127%0.269SS*.G310 helixtrans-102.54180-62.3-172.5175.6-173.20113L38 G39 R96 R97 I101L38-K99 VanDerWaalsContact CA-O 3.27Å; L38-K99 WeakPolarHBondContact CA-O 3.38Å; L38-K99 HydrophobicContact CD2-CB 4.39Å; G39-K99 PolarHBondContact N-O 3.42Å; R96-K99 PolarHBondContact O-N 3.11Å; R97-K99 VanDerWaalsContact C-N 3.25Å; R97-K99 PolarHBondContact O-N 3.05Å; K99-I101 PolarHBondContact O-N 2.97Å
100V97.1Very high94.6Very high5 Ų563.1 Ų63.13%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-77.2110.4-179.6-177.80000109.8F36 L37 L38 L93 R97 G102 L129 L134F36-V100 HydrophobicContact CB-CG1 4.4Å; F36-V100 HydrophobicContact CD1-CG1 4.04Å; L37-V100 WeakPolarHBondContact O-CA 3.41Å; L38-V100 HydrophobicContact CD2-CB 4.45Å; L38-V100 HydrophobicContact CD2-CG2 3.68Å; L93-V100 HydrophobicContact CD1-CG2 3.88Å; L93-V100 HydrophobicContact CD2-CG2 3.61Å; L93-V100 HydrophobicContact CG-CG2 4.35Å; R97-V100 PolarHBondContact O-N 3.31Å; V100-G102 WeakPolarHBondContact CG1-O 3.45Å; V100-L129 HydrophobicContact CB-CD1 4.36Å; V100-L129 HydrophobicContact CG1-CD1 3.75Å; V100-L134 HydrophobicContact CG1-CD1 4.18Å
101I96.6Very high94.6Very high13 Ų1366.9 Ų66.97%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-101.1-15.2175.256.3168.5000112.3L37 V41 I63 E64 I65 K99 V135L37-I101 HydrophobicContact CB-CG1 4.46Å; L37-I101 PolarHBondContact O-N 3.09Å; V41-I101 HydrophobicContact CG2-CB 4.31Å; V41-I101 HydrophobicContact CG2-CG2 3.91Å; I63-I101 HydrophobicContact CG2-CD1 3.9Å; E64-I101 WeakPolarHBondContact O-CD1 3.41Å; I65-I101 HydrophobicContact CB-CD1 4.48Å; I65-I101 HydrophobicContact CG1-CD1 3.84Å; K99-I101 PolarHBondContact O-N 2.97Å; I101-V135 PolarHBondContact O-N 3.05Å; I101-V135 VanDerWaalsContact O-N 3.09Å
102G97.1Very high94.6Very high0 Ų060.8 Ų60.80%028%0.277CS..EExtended strand (participates in β ladder)trans-167.8-172.7179.900000113.9L37 V100 V135L37-G102 PolarHBondContact N-O 3.01Å; L37-G102 PolarHBondContact O-N 3.41Å; V100-G102 WeakPolarHBondContact CG1-O 3.45Å; G102-V135 CarbonylContact C-O 3.42Å; G102-V135 WeakPolarHBondContact CA-O 3.47Å
103W98.1Very high94.5Very high1 Ų164.9 Ų64.90%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-139.8161.6169.975-56.3000110.2G35 F36 F77 E118 I121 H122 L125 V135 F136 L137G35-W103 CarbonylContact O-C 3.59Å; G35-W103 WeakPolarHBondContact O-CA 3.4Å; G35-W103 WeakPolarHBondContact O-CB 3.35Å; F36-W103 HydrophobicContact CD1-CB 4Å; F36-W103 HydrophobicContact CE1-CB 4.29Å; F77-W103 HydrophobicContact CZ-CE3 4.21Å; F77-W103 HydrophobicContact CZ-CZ3 4.22Å; W103-E118 HydrophobicContact CH2-CB 4.15Å; W103-E118 HydrophobicContact CH2-CG 3.77Å; W103-E118 HydrophobicContact CZ2-CB 4.04Å; W103-E118 HydrophobicContact CZ2-CG 4.08Å; W103-I121 HydrophobicContact CH2-CB 4.03Å; W103-I121 HydrophobicContact CH2-CD1 4.46Å; W103-I121 HydrophobicContact CH2-CG2 3.7Å; W103-I121 HydrophobicContact CZ2-CB 4.31Å; W103-I121 HydrophobicContact CZ2-CG2 4.02Å; W103-I121 HydrophobicContact CZ3-CG2 4.02Å; W103-H122 AromaticContact CD1-ND1 3.72Å; W103-H122 HydrophobicContact CZ2-CB 4.15Å; W103-H122 AromaticContact NE1-CG 3.87Å; W103-H122 AromaticContact NE1-ND1 3.2Å; W103-H122 PolarHBondContact NE1-ND1 3.03Å; W103-L125 HydrophobicContact CB-CD1 4.36Å; W103-L125 HydrophobicContact CD2-CD1 3.82Å; W103-L125 HydrophobicContact CE3-CD1 4.25Å; W103-L125 HydrophobicContact CG-CD1 3.88Å; W103-V135 PolarHBondContact N-O 3.12Å; W103-F136 AromaticContact CD1-CD2 3.69Å; W103-F136 AromaticContact CD2-CD2 3.75Å; W103-F136 HydrophobicContact CD2-CD2 3.75Å; W103-F136 HydrophobicContact CD2-CE2 4.07Å; W103-F136 AromaticContact CE2-CD2 3.33Å; W103-F136 AromaticContact CE2-CE2 3.76Å; W103-F136 HydrophobicContact CE3-CD2 4.47Å; W103-F136 HydrophobicContact CE3-CE2 4.34Å; W103-F136 AromaticContact CG-CD2 3.98Å; W103-F136 HydrophobicContact CG-CD2 3.98Å; W103-F136 HydrophobicContact CH2-CD2 4.5Å; W103-F136 HydrophobicContact CH2-CE2 4.12Å; W103-F136 AromaticContact CZ2-CD2 3.76Å; W103-F136 HydrophobicContact CZ2-CD2 3.76Å; W103-F136 AromaticContact CZ2-CE2 3.8Å; W103-F136 HydrophobicContact CZ2-CE2 3.8Å; W103-F136 HydrophobicContact CZ2-CG 4.47Å; W103-F136 HydrophobicContact CZ3-CE2 4.37Å; W103-F136 AromaticContact NE1-CD2 3.26Å; W103-F136 VanDerWaalsContact NE1-CD2 3.26Å; W103-F136 AromaticContact NE1-CG 3.72Å; W103-F136 CarbonylContact O-C 3.54Å; W103-F136 VanDerWaalsContact O-CA 3.31Å; W103-F136 WeakPolarHBondContact O-CA 3.49Å; W103-L137 PolarHBondContact O-N 3.47Å
104Y98Very high94.6Very high0 Ų065 Ų650%030%0.296CS..EExtended strand (participates in β ladder)trans-132.8153.618076.1-90.5000111.6V22 H33 E34 G35 L37 H68 P70 L137 F139V22-Y104 HydrophobicContact CG1-CD2 3.97Å; V22-Y104 HydrophobicContact CG1-CE2 3.87Å; H33-Y104 AromaticContact CD2-CE2 3.76Å; H33-Y104 AromaticContact NE2-CE2 3.96Å; H33-Y104 AromaticContact NE2-CZ 3.82Å; H33-Y104 PolarHBondContact NE2-OH 3.12Å; E34-Y104 WeakPolarHBondContact CA-O 3.02Å; G35-Y104 VanDerWaalsContact C-CD1 3.48Å; G35-Y104 VanDerWaalsContact C-CE1 3.43Å; G35-Y104 PolarHBondContact N-O 3.34Å; G35-Y104 VanDerWaalsContact N-O 3.08Å; G35-Y104 WeakPolarHBondContact O-CD1 3.06Å; G35-Y104 PolarHBondContact O-N 3.16Å; L37-Y104 HydrophobicContact CD2-CD1 3.78Å; L37-Y104 HydrophobicContact CD2-CG 4.34Å; L37-Y104 HydrophobicContact CG-CD1 4.28Å; H68-Y104 HydrophobicContact CB-CE1 3.99Å; H68-Y104 AromaticContact CD2-CE1 3.99Å; P70-Y104 WeakPolarHBondContact CA-OH 3.41Å; Y104-L137 CarbonylContact C-O 3.57Å; Y104-L137 WeakPolarHBondContact CA-O 3.38Å; Y104-L137 WeakPolarHBondContact CB-O 3.48Å; Y104-F139 HydrophobicContact CD2-CE2 4.35Å
105R97.6Very high94.7Very high22 Ų2260.3 Ų60.38%0.08328%0.281CS..EExtended strand (participates in β ladder)trans-140.8137.2168.2-172.1160.1177.9136-4.2110.8D32 H33 E34 Y78 E118 F136 L137 L138 F139D32-R105 IonicContact OD2-CZ 2.79Å; D32-R105 VanDerWaalsContact OD2-CZ 3.27Å; D32-R105 IonicContact OD2-NE 2.81Å; D32-R105 PolarHBondContact OD2-NE 2.91Å; D32-R105 IonicContact OD2-NH2 2.76Å; D32-R105 PolarHBondContact OD2-NH2 3.11Å; H33-R105 CarbonylContact O-C 3.58Å; H33-R105 WeakPolarHBondContact O-CA 3.38Å; E34-R105 HydrophobicContact CB-CB 4.4Å; E34-R105 HydrophobicContact CB-CG 4.25Å; E34-R105 IonicContact OE2-CZ 2.73Å; E34-R105 IonicContact OE2-NH1 2.71Å; E34-R105 PolarHBondContact OE2-NH1 3.04Å; Y78-R105 PolarHBondContact OH-NH1 2.74Å; R105-E118 WeakPolarHBondContact CD-OE1 3.47Å; R105-F136 HydrophobicContact CB-CE2 3.79Å; R105-F136 HydrophobicContact CB-CZ 3.9Å; R105-L137 PolarHBondContact N-O 3.17Å; R105-L138 WeakPolarHBondContact O-CA 3.47Å; R105-F139 PolarHBondContact O-N 2.87Å
106F96.8Very high94.8Very high4 Ų462.7 Ų62.72%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-110.3133.8177175.5-83.9000109.9S26 D32 H33 R108 F139 F141 L152S26-F106 VanDerWaalsContact CB-CG 3.43Å; D32-F106 WeakPolarHBondContact CA-O 3.48Å; H33-F106 HydrophobicContact CB-CB 4.38Å; H33-F106 PolarHBondContact N-O 3.36Å; H33-F106 VanDerWaalsContact N-O 3.08Å; H33-F106 PolarHBondContact O-N 3.03Å; F106-R108 HydrophobicContact CD1-CG 4.44Å; F106-R108 HydrophobicContact CE1-CG 3.73Å; F106-R108 HydrophobicContact CZ-CG 4.46Å; F106-F139 HydrophobicContact CB-CB 4.16Å; F106-F139 HydrophobicContact CD2-CB 3.61Å; F106-F139 HydrophobicContact CD2-CG 4.28Å; F106-F139 HydrophobicContact CG-CB 4.25Å; F106-F141 HydrophobicContact CE1-CB 4.41Å; F106-F141 HydrophobicContact CE2-CB 3.97Å; F106-F141 HydrophobicContact CZ-CB 3.57Å; F106-F141 HydrophobicContact CZ-CG 4.27Å; F106-L152 HydrophobicContact CD2-CD1 4.23Å; F106-L152 HydrophobicContact CE2-CD1 3.71Å
107R95.7Very high95Very high29 Ų2963.3 Ų63.311%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-128.3168.4177.8-62.7-178.6179.5155.11.3111.1D32 T110 Q113 S115 E118 L138 F139 S140 F141D32-R107 WeakPolarHBondContact OD1-CA 3.44Å; R107-T110 HydrophobicContact CB-CG2 4.01Å; R107-T110 VanDerWaalsContact CB-OG1 3.27Å; R107-T110 WeakPolarHBondContact CB-OG1 3.38Å; R107-T110 WeakPolarHBondContact CD-OG1 3.48Å; R107-Q113 PolarHBondContact NH1-O 3.22Å; R107-S115 VanDerWaalsContact NH2-CB 3.31Å; R107-S115 PolarHBondContact NH2-OG 3.3Å; R107-E118 IonicContact CZ-OE1 3.11Å; R107-E118 IonicContact CZ-OE2 3.77Å; R107-E118 IonicContact NE-OE1 3.93Å; R107-E118 IonicContact NH2-OE1 2.75Å; R107-E118 PolarHBondContact NH2-OE1 2.71Å; R107-E118 IonicContact NH2-OE2 3.36Å; R107-E118 PolarHBondContact NH2-OE2 3.11Å; R107-L138 HydrophobicContact CG-CD1 4.42Å; R107-F139 PolarHBondContact N-O 3.03Å; R107-S140 WeakPolarHBondContact O-CA 3.31Å; R107-F141 PolarHBondContact O-N 3.4Å
108R92.7Very high95.2Very high86 Ų8660 Ų6033%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-125.8127.4177.7-45.9-170.884.61263.9109.7S29 F106 T110 F141S29-R108 PolarHBondContact O-NH1 3.1Å; F106-R108 HydrophobicContact CD1-CG 4.44Å; F106-R108 HydrophobicContact CE1-CG 3.73Å; F106-R108 HydrophobicContact CZ-CG 4.46Å; R108-T110 WeakPolarHBondContact O-CG2 3.27Å; R108-F141 CarbonylContact C-O 3.57Å; R108-F141 WeakPolarHBondContact CA-O 3.41Å
109N90.8Very high95.3Very high109 Ų10953.1 Ų53.158%0.58324%0.242SC*.SBendtrans55.847.1-179.7-53.6-52.9000114.4F141 S143N109-F141 PolarHBondContact N-O 3.38Å; N109-S143 PolarHBondContact OD1-N 3.17Å
110T93.6Very high95.3Very high49 Ų4948.5 Ų48.530%0.30123%0.226SC..  trans-127.1164.4179.271.30000113.4R107 R108 S140R107-T110 HydrophobicContact CB-CG2 4.01Å; R107-T110 VanDerWaalsContact CB-OG1 3.27Å; R107-T110 WeakPolarHBondContact CB-OG1 3.38Å; R107-T110 WeakPolarHBondContact CD-OG1 3.48Å; R108-T110 WeakPolarHBondContact O-CG2 3.27Å; T110-S140 PolarHBondContact N-OG 3.35Å; T110-S140 VanDerWaalsContact N-OG 3.14Å; T110-S140 WeakPolarHBondContact O-CB 3.44Å; T110-S140 PolarHBondContact O-OG 3.13Å; T110-S140 PolarHBondContact OG1-OG 3.06Å
111Q93.6Very high95.3Very high146 Ų14648.3 Ų48.368%0.68222%0.224SC*.  trans-73150.1177.5-60.8177.73.700112.7Q113Q111-Q113 PolarHBondContact O-N 2.81Å
112Q94.6Very high95.3Very high24 Ų2448 Ų4811%0.11222%0.223CC..SBendtrans-75.360174.7-68.6-64.3-12.300113.3S140 E153 V155 R166Q112-S140 VanDerWaalsContact NE2-CB 3.25Å; Q112-E153 HydrophobicContact CG-CB 4.34Å; Q112-E153 WeakPolarHBondContact CG-OE2 3.42Å; Q112-E153 VanDerWaalsContact NE2-C 3.34Å; Q112-E153 PolarHBondContact NE2-O 2.9Å; Q112-E153 VanDerWaalsContact NE2-O 3.09Å; Q112-E153 PolarHBondContact NE2-OE2 3.4Å; Q112-V155 HydrophobicContact CB-CG2 4.05Å; Q112-V155 HydrophobicContact CG-CG2 4.14Å; Q112-R166 PolarHBondContact O-NH2 2.9Å
113Q94.2Very high95.2Very high116 Ų11654.6 Ų54.654%0.54225%0.251SS..SBendtrans-139.2137.9179.9-170.1177.89.800111.5R107 Q111 S115R107-Q113 PolarHBondContact NH1-O 3.22Å; Q111-Q113 PolarHBondContact O-N 2.81Å; Q113-S115 PolarHBondContact O-N 2.81Å
114M94.4Very high95.1Very high4 Ų455.8 Ų55.82%0.0226%0.257CS..  trans-63.7121.8171.5-64.7-172.970.700111E118 Q119 H122 F136 F157 P159M114-E118 VanDerWaalsContact CA-OE2 3.32Å; M114-E118 WeakPolarHBondContact CA-OE2 3.29Å; M114-E118 HydrophobicContact CE-CB 4.13Å; M114-Q119 HydrophobicContact CB-CG 3.94Å; M114-Q119 HydrophobicContact CE-CG 4.26Å; M114-Q119 PolarHBondContact O-NE2 3.24Å; M114-H122 HydrophobicContact CE-CB 4.3Å; M114-F136 HydrophobicContact CE-CB 4.32Å; M114-F136 HydrophobicContact CE-CD1 3.63Å; M114-F136 HydrophobicContact CE-CE1 4.23Å; M114-F136 HydrophobicContact CE-CG 4.12Å; M114-F136 HydrophobicContact CG-CD1 3.7Å; M114-F136 HydrophobicContact CG-CE1 3.84Å; M114-F136 HydrophobicContact SD-CD1 3.89Å; M114-F157 HydrophobicContact CG-CD2 4.01Å; M114-F157 HydrophobicContact CG-CE2 4.16Å; M114-F157 HydrophobicContact CG-CG 4.18Å; M114-F157 HydrophobicContact CG-CZ 4.47Å; M114-F157 HydrophobicContact SD-CB 4.07Å; M114-F157 HydrophobicContact SD-CD2 4.45Å; M114-F157 HydrophobicContact SD-CG 4.14Å; M114-P159 HydrophobicContact CE-CG 3.89Å; M114-P159 HydrophobicContact SD-CB 4.5Å; M114-P159 HydrophobicContact SD-CG 3.61Å
115S94.9Very high95Very high42 Ų4255.8 Ų55.829%0.29426%0.257SS..  trans-70.3163.6173.965.70000111.7R107 Q113 R117 E118 Q119R107-S115 VanDerWaalsContact NH2-CB 3.31Å; R107-S115 PolarHBondContact NH2-OG 3.3Å; Q113-S115 PolarHBondContact O-N 2.81Å; S115-R117 VanDerWaalsContact C-N 3.27Å; S115-R117 PolarHBondContact O-N 3.09Å; S115-E118 PolarHBondContact N-OE2 3.13Å; S115-E118 PolarHBondContact O-N 3.43Å; S115-E118 PolarHBondContact OG-N 3.32Å; S115-E118 PolarHBondContact OG-OE2 3.36Å; S115-E118 VanDerWaalsContact OG-OE2 3.09Å; S115-Q119 WeakPolarHBondContact O-CG 3.36Å; S115-Q119 PolarHBondContact O-N 2.83Å
116Y94.4Very high94.9Very high183 Ų18356.3 Ų56.372%0.71826%0.263SS*.Hα-helixtrans-50.2-46.4172.3174.5-104.4000112.6E118 Q119 V120Y116-E118 PolarHBondContact O-N 2.84Å; Y116-Q119 PolarHBondContact O-N 3.1Å; Y116-V120 HydrophobicContact CD2-CG2 4.29Å; Y116-V120 HydrophobicContact CE1-CG2 4.09Å; Y116-V120 HydrophobicContact CE2-CG2 3.84Å; Y116-V120 WeakPolarHBondContact O-CG2 3.32Å; Y116-V120 PolarHBondContact O-N 3.49Å
117R95.6Very high94.8Very high82 Ų8264.8 Ų64.831%0.30929%0.294SS..Hα-helixtrans-62.4-43179.7174.4169.6-74137.1-3.7112.2Y80 S82 S115 V120 I121Y80-R117 PolarHBondContact O-NH2 2.71Å; Y80-R117 VanDerWaalsContact O-NH2 3.09Å; S82-R117 PolarHBondContact OG-NE 2.76Å; S115-R117 VanDerWaalsContact C-N 3.27Å; S115-R117 PolarHBondContact O-N 3.09Å; R117-V120 PolarHBondContact O-N 2.95Å; R117-I121 HydrophobicContact CG-CD1 3.5Å; R117-I121 VanDerWaalsContact CG-CD1 3.5Å; R117-I121 HydrophobicContact CG-CG1 4.21Å; R117-I121 WeakPolarHBondContact O-CB 3.42Å; R117-I121 VanDerWaalsContact O-CG1 3.3Å; R117-I121 WeakPolarHBondContact O-CG1 3.27Å; R117-I121 PolarHBondContact O-N 2.97Å
118E96.1Very high94.8Very high2 Ų264.1 Ų64.11%0.00929%0.293CS..Hα-helixtrans-65.1-41.1176.6-75.1152.8178.100112.1W103 R105 R107 M114 S115 Y116 V120 I121 H122 F136W103-E118 HydrophobicContact CH2-CB 4.15Å; W103-E118 HydrophobicContact CH2-CG 3.77Å; W103-E118 HydrophobicContact CZ2-CB 4.04Å; W103-E118 HydrophobicContact CZ2-CG 4.08Å; R105-E118 WeakPolarHBondContact CD-OE1 3.47Å; R107-E118 IonicContact CZ-OE1 3.11Å; R107-E118 IonicContact CZ-OE2 3.77Å; R107-E118 IonicContact NE-OE1 3.93Å; R107-E118 IonicContact NH2-OE1 2.75Å; R107-E118 PolarHBondContact NH2-OE1 2.71Å; R107-E118 IonicContact NH2-OE2 3.36Å; R107-E118 PolarHBondContact NH2-OE2 3.11Å; M114-E118 VanDerWaalsContact CA-OE2 3.32Å; M114-E118 WeakPolarHBondContact CA-OE2 3.29Å; M114-E118 HydrophobicContact CE-CB 4.13Å; S115-E118 PolarHBondContact N-OE2 3.13Å; S115-E118 PolarHBondContact O-N 3.43Å; S115-E118 PolarHBondContact OG-N 3.32Å; S115-E118 PolarHBondContact OG-OE2 3.36Å; S115-E118 VanDerWaalsContact OG-OE2 3.09Å; Y116-E118 PolarHBondContact O-N 2.84Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.1Å; E118-I121 PolarHBondContact O-N 3.31Å; E118-H122 WeakPolarHBondContact O-CB 3.38Å; E118-H122 PolarHBondContact O-N 3.49Å; E118-F136 HydrophobicContact CB-CE1 4.41Å; E118-F136 HydrophobicContact CB-CZ 4.35Å; E118-F136 VanDerWaalsContact CD-CZ 3.42Å; E118-F136 HydrophobicContact CG-CE1 4.25Å; E118-F136 HydrophobicContact CG-CE2 4.33Å; E118-F136 HydrophobicContact CG-CZ 3.76Å
119Q94.6Very high94.9Very high62 Ų6261 Ų6129%0.2928%0.283SS..Hα-helixtrans-63.2-36176.8-64.7175.140.400111.8M114 S115 Y116 K123M114-Q119 HydrophobicContact CB-CG 3.94Å; M114-Q119 HydrophobicContact CE-CG 4.26Å; M114-Q119 PolarHBondContact O-NE2 3.24Å; S115-Q119 WeakPolarHBondContact O-CG 3.36Å; S115-Q119 PolarHBondContact O-N 2.83Å; Y116-Q119 PolarHBondContact O-N 3.1Å; Q119-K123 WeakPolarHBondContact O-CD 3.34Å; Q119-K123 VanDerWaalsContact O-CG 3.27Å; Q119-K123 WeakPolarHBondContact O-CG 3.27Å; Q119-K123 PolarHBondContact O-N 2.87Å
120V95.7Very high95Very high40 Ų4058.7 Ų58.724%0.24229%0.285CS..Hα-helixtrans-74.2-42.8176.9168.70000112.5Y116 R117 E118 Q124Y116-V120 HydrophobicContact CD2-CG2 4.29Å; Y116-V120 HydrophobicContact CE1-CG2 4.09Å; Y116-V120 HydrophobicContact CE2-CG2 3.84Å; Y116-V120 WeakPolarHBondContact O-CG2 3.32Å; Y116-V120 PolarHBondContact O-N 3.49Å; R117-V120 PolarHBondContact O-N 2.95Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.1Å; V120-Q124 PolarHBondContact O-N 2.89Å; V120-Q124 PolarHBondContact O-NE2 3.02Å
121I96.6Very high95Very high0 Ų058.1 Ų58.10%028%0.281CS..Hα-helixtrans-67-47.4176.5-71.2169.4000110.2F77 Y78 V84 W103 R117 E118 K123 Q124 L125F77-I121 HydrophobicContact CE2-CG2 3.83Å; F77-I121 HydrophobicContact CZ-CG2 4.27Å; Y78-I121 HydrophobicContact CD1-CD1 3.64Å; Y78-I121 HydrophobicContact CD1-CG1 4.46Å; Y78-I121 HydrophobicContact CD2-CD1 3.61Å; Y78-I121 HydrophobicContact CD2-CG1 4.35Å; Y78-I121 HydrophobicContact CE1-CD1 3.68Å; Y78-I121 HydrophobicContact CE2-CD1 3.69Å; Y78-I121 HydrophobicContact CG-CD1 3.62Å; Y78-I121 HydrophobicContact CG-CG1 4.19Å; V84-I121 HydrophobicContact CG2-CG2 4.27Å; W103-I121 HydrophobicContact CH2-CB 4.03Å; W103-I121 HydrophobicContact CH2-CD1 4.46Å; W103-I121 HydrophobicContact CH2-CG2 3.7Å; W103-I121 HydrophobicContact CZ2-CB 4.31Å; W103-I121 HydrophobicContact CZ2-CG2 4.02Å; W103-I121 HydrophobicContact CZ3-CG2 4.02Å; R117-I121 HydrophobicContact CG-CD1 3.5Å; R117-I121 VanDerWaalsContact CG-CD1 3.5Å; R117-I121 HydrophobicContact CG-CG1 4.21Å; R117-I121 WeakPolarHBondContact O-CB 3.42Å; R117-I121 VanDerWaalsContact O-CG1 3.3Å; R117-I121 WeakPolarHBondContact O-CG1 3.27Å; R117-I121 PolarHBondContact O-N 2.97Å; E118-I121 PolarHBondContact O-N 3.31Å; I121-K123 PolarHBondContact O-N 2.81Å; I121-Q124 WeakPolarHBondContact O-CA 3.49Å; I121-Q124 WeakPolarHBondContact O-CB 3.49Å; I121-Q124 PolarHBondContact O-N 3.3Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.03Å; I121-L125 PolarHBondContact O-N 3.46Å
122H96.1Very high94.7Very high7 Ų756.3 Ų56.33%0.03228%0.281CS..Hα-helixtrans-56.9-50.8-177.9-179.571.6000111.8W103 M114 E118 Q124 L125 T126 L134 P159W103-H122 AromaticContact CD1-ND1 3.72Å; W103-H122 HydrophobicContact CZ2-CB 4.15Å; W103-H122 AromaticContact NE1-CG 3.87Å; W103-H122 AromaticContact NE1-ND1 3.2Å; W103-H122 PolarHBondContact NE1-ND1 3.03Å; M114-H122 HydrophobicContact CE-CB 4.3Å; E118-H122 WeakPolarHBondContact O-CB 3.38Å; E118-H122 PolarHBondContact O-N 3.49Å; H122-Q124 PolarHBondContact O-N 2.92Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; H122-L125 PolarHBondContact O-N 3.15Å; H122-T126 PolarHBondContact O-N 3.42Å; H122-T126 PolarHBondContact O-OG1 3.35Å; H122-L134 PolarHBondContact CE1-O 2.8Å; H122-P159 WeakPolarHBondContact NE2-CD 3.42Å; H122-P159 WeakPolarHBondContact NE2-CG 3.36Å
123K94.5Very high94.3Very high139 Ų13957.7 Ų57.760%0.60429%0.29SS*.Hα-helixtrans-57.5-29.4176.1-73.4172.9-178.6176.70113.5Q119 I121Q119-K123 WeakPolarHBondContact O-CD 3.34Å; Q119-K123 VanDerWaalsContact O-CG 3.27Å; Q119-K123 WeakPolarHBondContact O-CG 3.27Å; Q119-K123 PolarHBondContact O-N 2.87Å; I121-K123 PolarHBondContact O-N 2.81Å
124Q96.7Very high94.4Very high25 Ų2552.2 Ų52.212%0.11726%0.264CS..Hα-helixtrans-77.6-44.4173.1-72.6171.285.800111.8S82 V84 V120 I121 H122 R127 I128S82-Q124 PolarHBondContact O-NE2 2.88Å; V84-Q124 HydrophobicContact CB-CB 4.24Å; V84-Q124 HydrophobicContact CG2-CB 3.72Å; V120-Q124 PolarHBondContact O-N 2.89Å; V120-Q124 PolarHBondContact O-NE2 3.02Å; I121-Q124 WeakPolarHBondContact O-CA 3.49Å; I121-Q124 WeakPolarHBondContact O-CB 3.49Å; I121-Q124 PolarHBondContact O-N 3.3Å; H122-Q124 PolarHBondContact O-N 2.92Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-R127 PolarHBondContact O-N 2.9Å; Q124-I128 HydrophobicContact CB-CD1 4.15Å; Q124-I128 WeakPolarHBondContact O-CB 3.38Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.21Å; Q124-I128 PolarHBondContact O-N 2.93Å
125L96.7Very high94.4Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-59.2-46.3177-70.8176.6000111.8F36 F77 V84 L89 W103 I121 H122 R127 I128 L129 L134F36-L125 HydrophobicContact CE1-CD1 4.01Å; F36-L125 HydrophobicContact CE1-CD2 4.01Å; F36-L125 HydrophobicContact CZ-CD2 4.36Å; F77-L125 HydrophobicContact CD2-CD2 4.3Å; F77-L125 HydrophobicContact CE2-CD1 4.1Å; F77-L125 HydrophobicContact CE2-CD2 4.03Å; F77-L125 HydrophobicContact CE2-CG 4.41Å; V84-L125 HydrophobicContact CG1-CD2 4.31Å; V84-L125 HydrophobicContact CG2-CD2 4.48Å; L89-L125 HydrophobicContact CD1-CD2 4.17Å; L89-L125 HydrophobicContact CD2-CD2 4.08Å; W103-L125 HydrophobicContact CB-CD1 4.36Å; W103-L125 HydrophobicContact CD2-CD1 3.82Å; W103-L125 HydrophobicContact CE3-CD1 4.25Å; W103-L125 HydrophobicContact CG-CD1 3.88Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.03Å; I121-L125 PolarHBondContact O-N 3.46Å; H122-L125 PolarHBondContact O-N 3.15Å; L125-R127 PolarHBondContact O-N 3.2Å; L125-I128 PolarHBondContact O-N 2.85Å; L125-L129 HydrophobicContact CB-CD1 4.23Å; L125-L129 HydrophobicContact CD2-CD1 4.38Å; L125-L129 VanDerWaalsContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.91Å; L125-L134 HydrophobicContact CB-CD2 3.56Å; L125-L134 HydrophobicContact CD1-CD2 4.5Å
126T94.3Very high94.6Very high34 Ų3450 Ų5021%0.20925%0.249CC..Hα-helixtrans-47.5-47.7173.4-55.90000111.5H122 G130 V131 P132H122-T126 PolarHBondContact O-N 3.42Å; H122-T126 PolarHBondContact O-OG1 3.35Å; T126-G130 PolarHBondContact O-N 2.81Å; T126-V131 VanDerWaalsContact CG2-O 3.31Å; T126-V131 WeakPolarHBondContact CG2-O 3.3Å; T126-V131 PolarHBondContact O-N 2.81Å; T126-V131 VanDerWaalsContact O-N 3.1Å; T126-P132 WeakPolarHBondContact CG2-O 3.42Å
127R94.6Very high94.7Very high181 Ų18141.3 Ų41.368%0.68322%0.215SC*.Hα-helixtrans-75.7-41.8-179-175-178.864.7177.7-1.6113.5Q124 L125Q124-R127 PolarHBondContact O-N 2.9Å; L125-R127 PolarHBondContact O-N 3.2Å
128I95.7Very high94.8Very high15 Ų1537.4 Ų37.48%0.07720%0.2CC..Hα-helixtrans-76.2-36.7-174.5-69165.7000111.4V84 E86 L89 R97 Q124 L125V84-I128 HydrophobicContact CB-CD1 3.77Å; V84-I128 HydrophobicContact CG1-CD1 3.67Å; E86-I128 HydrophobicContact CG-CD1 4.06Å; E86-I128 HydrophobicContact CG-CG1 4.39Å; E86-I128 HydrophobicContact CG-CG2 3.84Å; L89-I128 HydrophobicContact CD2-CG2 3.68Å; R97-I128 PolarHBondContact NH2-O 3.4Å; Q124-I128 HydrophobicContact CB-CD1 4.15Å; Q124-I128 WeakPolarHBondContact O-CB 3.38Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.21Å; Q124-I128 PolarHBondContact O-N 2.93Å; L125-I128 PolarHBondContact O-N 2.85Å
129L94.6Very high94.9Very high22 Ų2237.3 Ų37.312%0.11520%0.2CC..Hα-helixtrans-80.2-19.4176-63.2172.6000112.4L89 L93 R97 V100 L125 V131 L134L89-L129 HydrophobicContact CD2-CD2 3.93Å; L89-L129 HydrophobicContact CD2-CG 4.45Å; L89-L129 HydrophobicContact CG-CD2 4.44Å; L93-L129 HydrophobicContact CD1-CD2 3.75Å; R97-L129 HydrophobicContact CG-CD2 3.98Å; V100-L129 HydrophobicContact CB-CD1 4.36Å; V100-L129 HydrophobicContact CG1-CD1 3.75Å; L125-L129 HydrophobicContact CB-CD1 4.23Å; L125-L129 HydrophobicContact CD2-CD1 4.38Å; L125-L129 VanDerWaalsContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.91Å; L129-V131 HydrophobicContact CB-CB 4.46Å; L129-V131 HydrophobicContact CB-CG2 3.96Å; L129-L134 HydrophobicContact CD1-CD1 4.1Å; L129-L134 HydrophobicContact CD1-CD2 4.48Å
130G93.3Very high95Very high60 Ų6034.4 Ų34.462%0.61919%0.186SC*.THydrogen-bonded Turntrans73.229.6-175.100000113.1T126T126-G130 PolarHBondContact O-N 2.81Å
131V92.8Very high95Very high37 Ų3734.5 Ų34.522%0.22418%0.183CC..  trans-116.995.6-175-177.20000108.1T126 L129 D133 L134T126-V131 VanDerWaalsContact CG2-O 3.31Å; T126-V131 WeakPolarHBondContact CG2-O 3.3Å; T126-V131 PolarHBondContact O-N 2.81Å; T126-V131 VanDerWaalsContact O-N 3.1Å; L129-V131 HydrophobicContact CB-CB 4.46Å; L129-V131 HydrophobicContact CB-CG2 3.96Å; V131-D133 VanDerWaalsContact C-N 3.35Å; V131-D133 PolarHBondContact O-N 2.86Å; V131-L134 HydrophobicContact CB-CB 4.42Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CB 4.13Å; V131-L134 HydrophobicContact CG1-CD1 4.13Å; V131-L134 PolarHBondContact O-N 3.02Å
132P87.3Confident94.9Very high107 Ų10737 Ų3770%0.69520%0.197SC*.THydrogen-bonded Turntrans-61.9-40.4-173.6-24.835.3000113.4T126T126-P132 WeakPolarHBondContact CG2-O 3.42Å
133D88.1Confident94.8Very high54 Ų5438.2 Ų38.229%0.28921%0.205SC..THydrogen-bonded Turntrans-101.337.3-177.9-69.8-42.5000113V131 V135 R158V131-D133 VanDerWaalsContact C-N 3.35Å; V131-D133 PolarHBondContact O-N 2.86Å; D133-V135 PolarHBondContact O-N 3.03Å; D133-R158 VanDerWaalsContact CG-CZ 3.47Å; D133-R158 IonicContact OD1-CZ 3.47Å; D133-R158 IonicContact OD1-NE 3.67Å; D133-R158 PolarHBondContact OD1-NE 3.21Å; D133-R158 IonicContact OD1-NH2 3.71Å; D133-R158 PolarHBondContact OD1-NH2 3.11Å; D133-R158 IonicContact OD2-CZ 2.69Å; D133-R158 IonicContact OD2-NH2 3.48Å; D133-R158 PolarHBondContact OD2-NH2 2.81Å
134L94.6Very high94.8Very high1 Ų134.2 Ų34.21%0.00519%0.193CC..  trans-52.6131.9170.8-17075.9000109.2V100 H122 L125 L129 V131V100-L134 HydrophobicContact CG1-CD1 4.18Å; H122-L134 PolarHBondContact CE1-O 2.8Å; L125-L134 HydrophobicContact CB-CD2 3.56Å; L125-L134 HydrophobicContact CD1-CD2 4.5Å; L129-L134 HydrophobicContact CD1-CD1 4.1Å; L129-L134 HydrophobicContact CD1-CD2 4.48Å; V131-L134 HydrophobicContact CB-CB 4.42Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CB 4.13Å; V131-L134 HydrophobicContact CG1-CD1 4.13Å; V131-L134 PolarHBondContact O-N 3.02Å
135V96Very high94.7Very high0 Ų038.4 Ų38.40%023%0.232CC..EExtended strand (participates in β ladder)trans-98156.9174.1-67.80000112.5I63 I101 G102 W103 D133 L156 F157 R158 I167I63-V135 HydrophobicContact CD1-CG1 3.62Å; I63-V135 HydrophobicContact CG2-CG2 4.31Å; I101-V135 PolarHBondContact O-N 3.05Å; I101-V135 VanDerWaalsContact O-N 3.09Å; G102-V135 CarbonylContact C-O 3.42Å; G102-V135 WeakPolarHBondContact CA-O 3.47Å; W103-V135 PolarHBondContact N-O 3.12Å; D133-V135 PolarHBondContact O-N 3.03Å; V135-L156 HydrophobicContact CB-CD1 3.84Å; V135-L156 HydrophobicContact CB-CG 4.21Å; V135-L156 HydrophobicContact CG2-CD1 3.85Å; V135-F157 WeakPolarHBondContact CA-O 3.26Å; V135-R158 HydrophobicContact CG1-CB 4.47Å; V135-I167 HydrophobicContact CG1-CD1 4.24Å
136F97.6Very high94.6Very high0 Ų043.7 Ų43.70%026%0.26CS..EExtended strand (participates in β ladder)trans-124.7116.1174.8174.7-118000111.2W103 R105 M114 E118 L138 F157W103-F136 AromaticContact CD1-CD2 3.69Å; W103-F136 AromaticContact CD2-CD2 3.75Å; W103-F136 HydrophobicContact CD2-CD2 3.75Å; W103-F136 HydrophobicContact CD2-CE2 4.07Å; W103-F136 AromaticContact CE2-CD2 3.33Å; W103-F136 AromaticContact CE2-CE2 3.76Å; W103-F136 HydrophobicContact CE3-CD2 4.47Å; W103-F136 HydrophobicContact CE3-CE2 4.34Å; W103-F136 AromaticContact CG-CD2 3.98Å; W103-F136 HydrophobicContact CG-CD2 3.98Å; W103-F136 HydrophobicContact CH2-CD2 4.5Å; W103-F136 HydrophobicContact CH2-CE2 4.12Å; W103-F136 AromaticContact CZ2-CD2 3.76Å; W103-F136 HydrophobicContact CZ2-CD2 3.76Å; W103-F136 AromaticContact CZ2-CE2 3.8Å; W103-F136 HydrophobicContact CZ2-CE2 3.8Å; W103-F136 HydrophobicContact CZ2-CG 4.47Å; W103-F136 HydrophobicContact CZ3-CE2 4.37Å; W103-F136 AromaticContact NE1-CD2 3.26Å; W103-F136 VanDerWaalsContact NE1-CD2 3.26Å; W103-F136 AromaticContact NE1-CG 3.72Å; W103-F136 CarbonylContact O-C 3.54Å; W103-F136 VanDerWaalsContact O-CA 3.31Å; W103-F136 WeakPolarHBondContact O-CA 3.49Å; R105-F136 HydrophobicContact CB-CE2 3.79Å; R105-F136 HydrophobicContact CB-CZ 3.9Å; M114-F136 HydrophobicContact CE-CB 4.32Å; M114-F136 HydrophobicContact CE-CD1 3.63Å; M114-F136 HydrophobicContact CE-CE1 4.23Å; M114-F136 HydrophobicContact CE-CG 4.12Å; M114-F136 HydrophobicContact CG-CD1 3.7Å; M114-F136 HydrophobicContact CG-CE1 3.84Å; M114-F136 HydrophobicContact SD-CD1 3.89Å; E118-F136 HydrophobicContact CB-CE1 4.41Å; E118-F136 HydrophobicContact CB-CZ 4.35Å; E118-F136 VanDerWaalsContact CD-CZ 3.42Å; E118-F136 HydrophobicContact CG-CE1 4.25Å; E118-F136 HydrophobicContact CG-CE2 4.33Å; E118-F136 HydrophobicContact CG-CZ 3.76Å; F136-L138 HydrophobicContact CE1-CB 3.82Å; F136-L138 HydrophobicContact CE1-CD1 4.25Å; F136-L138 HydrophobicContact CE1-CG 4.48Å; F136-L138 HydrophobicContact CZ-CB 4.2Å; F136-L138 HydrophobicContact CZ-CD1 4.08Å; F136-F157 HydrophobicContact CB-CB 4.47Å; F136-F157 AromaticContact CD1-CD2 4Å; F136-F157 HydrophobicContact CD1-CD2 4Å; F136-F157 PolarHBondContact N-O 3.11Å; F136-F157 PolarHBondContact O-N 2.91Å
137L98Very high94.7Very high0 Ų046.7 Ų46.70%028%0.275CS..EExtended strand (participates in β ladder)trans-96.8107.6176.8-176.155.2000110.3L37 W103 Y104 R105 F139 L156 L169L37-L137 HydrophobicContact CD1-CB 3.85Å; L37-L137 HydrophobicContact CD1-CD2 4.43Å; W103-L137 PolarHBondContact O-N 3.47Å; Y104-L137 CarbonylContact C-O 3.57Å; Y104-L137 WeakPolarHBondContact CA-O 3.38Å; Y104-L137 WeakPolarHBondContact CB-O 3.48Å; R105-L137 PolarHBondContact N-O 3.17Å; L137-F139 HydrophobicContact CD2-CE2 3.55Å; L137-F139 HydrophobicContact CD2-CZ 3.58Å; L137-F139 HydrophobicContact CG-CD2 4.14Å; L137-F139 HydrophobicContact CG-CE2 3.54Å; L137-F139 HydrophobicContact CG-CZ 3.94Å; L137-L156 HydrophobicContact CB-CD1 3.78Å; L137-L156 HydrophobicContact CD1-CB 4.2Å; L137-L156 HydrophobicContact CD1-CD1 4.15Å; L137-L156 HydrophobicContact CG-CD1 4.45Å; L137-L169 HydrophobicContact CD1-CD2 3.82Å; L137-L169 HydrophobicContact CD2-CD2 4.06Å
138L97.9Very high94.8Very high0 Ų042 Ų420%027%0.27CS..EExtended strand (participates in β ladder)trans-89.3134.2172.9-176.561.3000109.5R105 R107 F136 Y154 V155 F157R105-L138 WeakPolarHBondContact O-CA 3.47Å; R107-L138 HydrophobicContact CG-CD1 4.42Å; F136-L138 HydrophobicContact CE1-CB 3.82Å; F136-L138 HydrophobicContact CE1-CD1 4.25Å; F136-L138 HydrophobicContact CE1-CG 4.48Å; F136-L138 HydrophobicContact CZ-CB 4.2Å; F136-L138 HydrophobicContact CZ-CD1 4.08Å; L138-Y154 CarbonylContact O-C 3.55Å; L138-Y154 VanDerWaalsContact O-CA 3.23Å; L138-Y154 WeakPolarHBondContact O-CA 3.23Å; L138-V155 PolarHBondContact N-O 2.86Å; L138-V155 PolarHBondContact O-N 3.4Å; L138-F157 HydrophobicContact CB-CD2 4.35Å; L138-F157 HydrophobicContact CB-CE2 3.93Å; L138-F157 HydrophobicContact CD2-CE2 4.12Å
139F97.7Very high94.8Very high0 Ų045.3 Ų45.30%029%0.291CS..EExtended strand (participates in β ladder)trans-116.4142.3166-62.8-100.1000110F19 V22 Y104 R105 F106 R107 L137 L152 E153F19-F139 HydrophobicContact CD2-CE1 4.28Å; F19-F139 AromaticContact CE2-CE1 3.7Å; F19-F139 HydrophobicContact CE2-CE1 3.7Å; F19-F139 HydrophobicContact CE2-CZ 4.31Å; F19-F139 HydrophobicContact CZ-CE1 4.08Å; V22-F139 HydrophobicContact CB-CZ 4.29Å; V22-F139 HydrophobicContact CG1-CD2 4.36Å; V22-F139 HydrophobicContact CG1-CE1 4.47Å; V22-F139 HydrophobicContact CG1-CE2 3.56Å; V22-F139 HydrophobicContact CG1-CZ 3.63Å; Y104-F139 HydrophobicContact CD2-CE2 4.35Å; R105-F139 PolarHBondContact O-N 2.87Å; F106-F139 HydrophobicContact CB-CB 4.16Å; F106-F139 HydrophobicContact CD2-CB 3.61Å; F106-F139 HydrophobicContact CD2-CG 4.28Å; F106-F139 HydrophobicContact CG-CB 4.25Å; R107-F139 PolarHBondContact N-O 3.03Å; L137-F139 HydrophobicContact CD2-CE2 3.55Å; L137-F139 HydrophobicContact CD2-CZ 3.58Å; L137-F139 HydrophobicContact CG-CD2 4.14Å; L137-F139 HydrophobicContact CG-CE2 3.54Å; L137-F139 HydrophobicContact CG-CZ 3.94Å; F139-L152 HydrophobicContact CB-CD1 4.16Å; F139-L152 HydrophobicContact CD1-CD1 4.14Å; F139-L152 HydrophobicContact CD1-CD2 4.4Å; F139-L152 HydrophobicContact CD1-CG 4.33Å; F139-E153 CarbonylContact C-O 3.57Å; F139-E153 WeakPolarHBondContact CA-O 3.4Å
140S96.4Very high94.9Very high0 Ų049.1 Ų49.10%031%0.308CS..EExtended strand (participates in β ladder)trans-133.2119.1168.8-159.60000109.7R107 T110 Q112 E153R107-S140 WeakPolarHBondContact O-CA 3.31Å; T110-S140 PolarHBondContact N-OG 3.35Å; T110-S140 VanDerWaalsContact N-OG 3.14Å; T110-S140 WeakPolarHBondContact O-CB 3.44Å; T110-S140 PolarHBondContact O-OG 3.13Å; T110-S140 PolarHBondContact OG1-OG 3.06Å; Q112-S140 VanDerWaalsContact NE2-CB 3.25Å; S140-E153 PolarHBondContact N-O 3.15Å; S140-E153 PolarHBondContact O-N 2.9Å
141F95.3Very high95Very high42 Ų4248.4 Ų48.418%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-90.7122.5174.1179.2-87000110F106 R107 R108 N109 H150 A151 L152F106-F141 HydrophobicContact CE1-CB 4.41Å; F106-F141 HydrophobicContact CE2-CB 3.97Å; F106-F141 HydrophobicContact CZ-CB 3.57Å; F106-F141 HydrophobicContact CZ-CG 4.27Å; R107-F141 PolarHBondContact O-N 3.4Å; R108-F141 CarbonylContact C-O 3.57Å; R108-F141 WeakPolarHBondContact CA-O 3.41Å; N109-F141 PolarHBondContact N-O 3.38Å; F141-H150 AromaticContact CE1-ND1 3.8Å; F141-H150 HydrophobicContact CE2-CB 3.85Å; F141-H150 HydrophobicContact CZ-CB 3.69Å; F141-H150 AromaticContact CZ-CG 3.53Å; F141-H150 AromaticContact CZ-ND1 3.46Å; F141-H150 WeakPolarHBondContact CZ-ND1 3.36Å; F141-A151 WeakPolarHBondContact CA-O 3.38Å; F141-L152 HydrophobicContact CB-CD1 4.21Å
142I94.5Very high95.2Very high54 Ų5449.3 Ų49.328%0.27730%0.3SS..EExtended strand (participates in β ladder)trans-121.5134.7-175.5-56.3173.7000109.3H150 A151 E153I142-H150 CarbonylContact O-C 3.58Å; I142-H150 WeakPolarHBondContact O-CA 3.17Å; I142-A151 PolarHBondContact N-O 3.04Å; I142-A151 PolarHBondContact O-N 2.92Å; I142-E153 HydrophobicContact CD1-CG 4.48Å
143S94Very high95.7Very high31 Ų3148.4 Ų48.422%0.21729%0.286CS..EExtended strand (participates in β ladder)trans-107.8150.8172.4-66.50000112.1N109 N147 H150N109-S143 PolarHBondContact OD1-N 3.17Å; S143-N147 WeakPolarHBondContact CB-OD1 3.17Å; S143-N147 PolarHBondContact OG-OD1 3.4Å; S143-H150 PolarHBondContact OG-CE1 3.17Å; S143-H150 VanDerWaalsContact OG-CE1 3.29Å; S143-H150 PolarHBondContact OG-ND1 2.87Å
144T94Very high96.1Very high55 Ų5549.9 Ų49.934%0.33729%0.288SS..  trans-66.6157.8157.453.20000111.2N146 N147 S148 T149T144-N146 VanDerWaalsContact CB-OD1 3.31Å; T144-N146 WeakPolarHBondContact CB-OD1 3.46Å; T144-N146 PolarHBondContact O-N 2.83Å; T144-N146 VanDerWaalsContact O-N 3.11Å; T144-N146 PolarHBondContact OG1-OD1 2.95Å; T144-N147 WeakPolarHBondContact O-CA 3.31Å; T144-N147 PolarHBondContact O-N 2.95Å; T144-S148 PolarHBondContact OG1-N 3.35Å; T144-T149 PolarHBondContact N-O 3.45Å; T144-T149 PolarHBondContact OG1-N 3.34Å; T144-T149 PolarHBondContact OG1-O 2.65Å
145A94.9Very high96.2Very high114 Ų11451 Ų5194%0.94230%0.295SS*.THydrogen-bonded Turntrans-59.3-26.1-176.800000114.5
146N95.9Very high96.3Very high110 Ų11051 Ų5159%0.58830%0.295SS*.THydrogen-bonded Turntrans-93.80.1174.868.1-19.1000113.8T144 S148T144-N146 VanDerWaalsContact CB-OD1 3.31Å; T144-N146 WeakPolarHBondContact CB-OD1 3.46Å; T144-N146 PolarHBondContact O-N 2.83Å; T144-N146 VanDerWaalsContact O-N 3.11Å; T144-N146 PolarHBondContact OG1-OD1 2.95Å; N146-S148 WeakPolarHBondContact ND2-CB 3.38Å; N146-S148 PolarHBondContact ND2-OG 3.26Å; N146-S148 PolarHBondContact O-N 3.23Å; N146-S148 VanDerWaalsContact O-N 3.15Å; N146-S148 PolarHBondContact OD1-N 3.14Å; N146-S148 PolarHBondContact OD1-OG 2.91Å; N146-S148 VanDerWaalsContact OD1-OG 3.07Å
147N95.1Very high96.2Very high97 Ų9751.3 Ų51.352%0.51930%0.296SS..SBendtrans53.722.2-173.1-62.1-81.4000115.6S143 T144 T149S143-N147 WeakPolarHBondContact CB-OD1 3.17Å; S143-N147 PolarHBondContact OG-OD1 3.4Å; T144-N147 WeakPolarHBondContact O-CA 3.31Å; T144-N147 PolarHBondContact O-N 2.95Å; N147-T149 VanDerWaalsContact C-N 3.29Å
148S96.8Very high95.9Very high84 Ų8452.8 Ų52.859%0.58730%0.302SS*.SBendtrans-75.8-18.5173.9670000113.5T144 N146T144-S148 PolarHBondContact OG1-N 3.35Å; N146-S148 WeakPolarHBondContact ND2-CB 3.38Å; N146-S148 PolarHBondContact ND2-OG 3.26Å; N146-S148 PolarHBondContact O-N 3.23Å; N146-S148 VanDerWaalsContact O-N 3.15Å; N146-S148 PolarHBondContact OD1-N 3.14Å; N146-S148 PolarHBondContact OD1-OG 2.91Å; N146-S148 VanDerWaalsContact OD1-OG 3.07Å
149T96.3Very high95.2Very high83 Ų8354.3 Ų54.351%0.50931%0.312SS..  trans-140.9133.6-174.6-49.70000109.3T144 N147T144-T149 PolarHBondContact N-O 3.45Å; T144-T149 PolarHBondContact OG1-N 3.34Å; T144-T149 PolarHBondContact OG1-O 2.65Å; N147-T149 VanDerWaalsContact C-N 3.29Å
150H95.5Very high94.2Very high102 Ų10257.4 Ų57.447%0.47233%0.328SS..EExtended strand (participates in β ladder)trans-124139.1178.7-56.4-64.9000109.8F141 I142 S143F141-H150 AromaticContact CE1-ND1 3.8Å; F141-H150 HydrophobicContact CE2-CB 3.85Å; F141-H150 HydrophobicContact CZ-CB 3.69Å; F141-H150 AromaticContact CZ-CG 3.53Å; F141-H150 AromaticContact CZ-ND1 3.46Å; F141-H150 WeakPolarHBondContact CZ-ND1 3.36Å; I142-H150 CarbonylContact O-C 3.58Å; I142-H150 WeakPolarHBondContact O-CA 3.17Å; S143-H150 PolarHBondContact OG-CE1 3.17Å; S143-H150 VanDerWaalsContact OG-CE1 3.29Å; S143-H150 PolarHBondContact OG-ND1 2.87Å
151A96.3Very high92.9Very high46 Ų4668.5 Ų68.538%0.3837%0.37SS..EExtended strand (participates in β ladder)trans-116132.3170.900000109.1F141 I142F141-A151 WeakPolarHBondContact CA-O 3.38Å; I142-A151 PolarHBondContact N-O 3.04Å; I142-A151 PolarHBondContact O-N 2.92Å
152L96.8Very high91.6Very high56 Ų5676.6 Ų76.629%0.29340%0.399SS..EExtended strand (participates in β ladder)trans-109.196.3167.7-18057000108.7C23 F106 F139 F141C23-L152 HydrophobicContact CB-CD2 4.12Å; C23-L152 WeakPolarHBondContact SG-CD2 3.33Å; F106-L152 HydrophobicContact CD2-CD1 4.23Å; F106-L152 HydrophobicContact CE2-CD1 3.71Å; F139-L152 HydrophobicContact CB-CD1 4.16Å; F139-L152 HydrophobicContact CD1-CD1 4.14Å; F139-L152 HydrophobicContact CD1-CD2 4.4Å; F139-L152 HydrophobicContact CD1-CG 4.33Å; F141-L152 HydrophobicContact CB-CD1 4.21Å
153E97Very high90.8Very high87 Ų8782 Ų8241%0.40742%0.418SS..EExtended strand (participates in β ladder)trans-85.5143.2175.6-67.4179.9173.800110.4Q112 F139 S140 I142Q112-E153 HydrophobicContact CG-CB 4.34Å; Q112-E153 WeakPolarHBondContact CG-OE2 3.42Å; Q112-E153 VanDerWaalsContact NE2-C 3.34Å; Q112-E153 PolarHBondContact NE2-O 2.9Å; Q112-E153 VanDerWaalsContact NE2-O 3.09Å; Q112-E153 PolarHBondContact NE2-OE2 3.4Å; F139-E153 CarbonylContact C-O 3.57Å; F139-E153 WeakPolarHBondContact CA-O 3.4Å; S140-E153 PolarHBondContact N-O 3.15Å; S140-E153 PolarHBondContact O-N 2.9Å; I142-E153 HydrophobicContact CD1-CG 4.48Å
154Y97.3Very high90.2Very high86 Ų8683.6 Ų83.634%0.33742%0.424SS..EExtended strand (participates in β ladder)trans-140146.9177.459.9-84.4000111.8F19 L138 L169F19-Y154 AromaticContact CE2-CD1 3.77Å; F19-Y154 HydrophobicContact CE2-CD1 3.77Å; F19-Y154 HydrophobicContact CE2-CD2 4.06Å; F19-Y154 AromaticContact CE2-CE1 3.88Å; F19-Y154 HydrophobicContact CE2-CE1 3.88Å; F19-Y154 HydrophobicContact CE2-CE2 4.15Å; F19-Y154 AromaticContact CE2-CG 3.86Å; F19-Y154 HydrophobicContact CE2-CG 3.86Å; F19-Y154 AromaticContact CZ-CD1 3.57Å; F19-Y154 HydrophobicContact CZ-CD1 3.57Å; F19-Y154 AromaticContact CZ-CE1 3.6Å; F19-Y154 HydrophobicContact CZ-CE1 3.6Å; F19-Y154 HydrophobicContact CZ-CG 4.14Å; L138-Y154 CarbonylContact O-C 3.55Å; L138-Y154 VanDerWaalsContact O-CA 3.23Å; L138-Y154 WeakPolarHBondContact O-CA 3.23Å; Y154-L169 HydrophobicContact CD2-CD2 4.13Å; Y154-L169 HydrophobicContact CE2-CB 4.26Å; Y154-L169 HydrophobicContact CE2-CD2 4.23Å; Y154-L169 HydrophobicContact CE2-CG 4.48Å
155V97.2Very high90Very high23 Ų2385 Ų8514%0.13943%0.427CS..EExtended strand (participates in β ladder)trans-141.7124.5177.2179.90000110Q112 L138 F157 R166Q112-V155 HydrophobicContact CB-CG2 4.05Å; Q112-V155 HydrophobicContact CG-CG2 4.14Å; L138-V155 PolarHBondContact N-O 2.86Å; L138-V155 PolarHBondContact O-N 3.4Å; V155-F157 HydrophobicContact CB-CD2 4.36Å; V155-F157 HydrophobicContact CB-CE2 3.78Å; V155-F157 HydrophobicContact CB-CZ 4.09Å; V155-F157 HydrophobicContact CG1-CD1 4.23Å; V155-F157 HydrophobicContact CG1-CD2 3.93Å; V155-F157 HydrophobicContact CG1-CE1 3.89Å; V155-F157 HydrophobicContact CG1-CE2 3.54Å; V155-F157 HydrophobicContact CG1-CG 4.27Å; V155-F157 HydrophobicContact CG1-CZ 3.54Å; V155-R166 HydrophobicContact CG1-CB 4.25Å; V155-R166 HydrophobicContact CG1-CG 3.62Å
156L97.3Very high89.9Confident1 Ų187 Ų871%0.00541%0.409CS..EExtended strand (participates in β ladder)trans-88.6122.6170-168.369.3000110A12 V135 L137 R166 I167 L169A12-L156 HydrophobicContact CB-CD2 3.31Å; V135-L156 HydrophobicContact CB-CD1 3.84Å; V135-L156 HydrophobicContact CB-CG 4.21Å; V135-L156 HydrophobicContact CG2-CD1 3.85Å; L137-L156 HydrophobicContact CB-CD1 3.78Å; L137-L156 HydrophobicContact CD1-CB 4.2Å; L137-L156 HydrophobicContact CD1-CD1 4.15Å; L137-L156 HydrophobicContact CG-CD1 4.45Å; L156-R166 WeakPolarHBondContact O-CA 3.35Å; L156-I167 HydrophobicContact CD2-CB 4.2Å; L156-I167 HydrophobicContact CD2-CG2 4.38Å; L156-I167 PolarHBondContact O-N 2.86Å; L156-L169 HydrophobicContact CB-CB 4.43Å; L156-L169 HydrophobicContact CD2-CD1 4.42Å
157F95.6Very high89.7Confident6 Ų682.3 Ų82.33%0.02638%0.384CS..EExtended strand (participates in β ladder)trans-108.1138.1177.5-64.9-85.3000111.5M114 V135 F136 L138 V155 P159 N164 Q165 R166M114-F157 HydrophobicContact CG-CD2 4.01Å; M114-F157 HydrophobicContact CG-CE2 4.16Å; M114-F157 HydrophobicContact CG-CG 4.18Å; M114-F157 HydrophobicContact CG-CZ 4.47Å; M114-F157 HydrophobicContact SD-CB 4.07Å; M114-F157 HydrophobicContact SD-CD2 4.45Å; M114-F157 HydrophobicContact SD-CG 4.14Å; V135-F157 WeakPolarHBondContact CA-O 3.26Å; F136-F157 HydrophobicContact CB-CB 4.47Å; F136-F157 AromaticContact CD1-CD2 4Å; F136-F157 HydrophobicContact CD1-CD2 4Å; F136-F157 PolarHBondContact N-O 3.11Å; F136-F157 PolarHBondContact O-N 2.91Å; L138-F157 HydrophobicContact CB-CD2 4.35Å; L138-F157 HydrophobicContact CB-CE2 3.93Å; L138-F157 HydrophobicContact CD2-CE2 4.12Å; V155-F157 HydrophobicContact CB-CD2 4.36Å; V155-F157 HydrophobicContact CB-CE2 3.78Å; V155-F157 HydrophobicContact CB-CZ 4.09Å; V155-F157 HydrophobicContact CG1-CD1 4.23Å; V155-F157 HydrophobicContact CG1-CD2 3.93Å; V155-F157 HydrophobicContact CG1-CE1 3.89Å; V155-F157 HydrophobicContact CG1-CE2 3.54Å; V155-F157 HydrophobicContact CG1-CG 4.27Å; V155-F157 HydrophobicContact CG1-CZ 3.54Å; F157-P159 HydrophobicContact CB-CG 4.45Å; F157-N164 HydrophobicContact CD1-CB 3.95Å; F157-N164 HydrophobicContact CE1-CB 4.31Å; F157-Q165 CarbonylContact C-O 3.56Å; F157-Q165 VanDerWaalsContact CA-O 3.29Å; F157-Q165 WeakPolarHBondContact CA-O 3.14Å; F157-R166 HydrophobicContact CD1-CG 3.98Å; F157-R166 HydrophobicContact CE1-CG 3.82Å
158R91.7Very high89.6Confident31 Ų3182.9 Ų82.912%0.11740%0.396CS..EExtended strand (participates in β ladder)trans-110.7100.3157-179.9-179.3175.2-168.72.2107.9M10 Q61 D133 V135 N160 Q165 I167M10-R158 WeakPolarHBondContact SD-CD 3.49Å; M10-R158 PolarHBondContact SD-NH1 3.33Å; Q61-R158 VanDerWaalsContact OE1-NH1 3.07Å; D133-R158 VanDerWaalsContact CG-CZ 3.47Å; D133-R158 IonicContact OD1-CZ 3.47Å; D133-R158 IonicContact OD1-NE 3.67Å; D133-R158 PolarHBondContact OD1-NE 3.21Å; D133-R158 IonicContact OD1-NH2 3.71Å; D133-R158 PolarHBondContact OD1-NH2 3.11Å; D133-R158 IonicContact OD2-CZ 2.69Å; D133-R158 IonicContact OD2-NH2 3.48Å; D133-R158 PolarHBondContact OD2-NH2 2.81Å; V135-R158 HydrophobicContact CG1-CB 4.47Å; R158-N160 PolarHBondContact O-N 2.89Å; R158-Q165 PolarHBondContact N-O 2.84Å; R158-Q165 WeakPolarHBondContact O-CB 3.12Å; R158-Q165 PolarHBondContact O-N 3.28Å; R158-I167 HydrophobicContact CB-CD1 3.81Å; R158-I167 HydrophobicContact CB-CG1 4.49Å
159P84.1Confident89.6Confident32 Ų3279.8 Ų79.821%0.20837%0.373CS..EExtended strand (participates in β ladder)trans-70.365.1-179.4-24.538.7000114.4M114 H122 F157 R161M114-P159 HydrophobicContact CE-CG 3.89Å; M114-P159 HydrophobicContact SD-CB 4.5Å; M114-P159 HydrophobicContact SD-CG 3.61Å; H122-P159 WeakPolarHBondContact NE2-CD 3.42Å; H122-P159 WeakPolarHBondContact NE2-CG 3.36Å; F157-P159 HydrophobicContact CB-CG 4.45Å; P159-R161 PolarHBondContact O-N 2.92Å; P159-R161 VanDerWaalsContact O-N 3.16Å
160N76.1Confident89.5Confident65 Ų6578.5 Ų78.535%0.34837%0.371SS..EExtended strand (participates in β ladder)trans-74.3105.5-176.4-168.9-14.2000112R158 R162 Y163R158-N160 PolarHBondContact O-N 2.89Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.83Å; N160-Y163 PolarHBondContact N-O 2.85Å; N160-Y163 VanDerWaalsContact N-O 3.11Å; N160-Y163 PolarHBondContact O-N 3.32Å
161R68.8Low89.6Confident234 Ų23476.1 Ų76.188%0.88336%0.361SS*.THydrogen-bonded Turntrans56.3-74.6175.4-65172.6-179.2-171.52.1115.4P159P159-R161 PolarHBondContact O-N 2.92Å; P159-R161 VanDerWaalsContact O-N 3.16Å
162R69.4Low89.4Confident211 Ų21177.8 Ų77.880%0.79637%0.368SS*.THydrogen-bonded Turntrans-125.2-9.3-174.9-63.5-165.9-64.3-163.50.1113.8N160N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.83Å
163Y76Confident89.1Confident168 Ų16880 Ų8066%0.65938%0.38SS*.EExtended strand (participates in β ladder)trans-123.2130.4-176.4-59-76.9000110.4N160 Q165N160-Y163 PolarHBondContact N-O 2.85Å; N160-Y163 VanDerWaalsContact N-O 3.11Å; N160-Y163 PolarHBondContact O-N 3.32Å; Y163-Q165 PolarHBondContact O-N 3.44Å
164N82.5Confident88.7Confident65 Ų6583.2 Ų83.235%0.34840%0.399SS..EExtended strand (participates in β ladder)trans-82.475.4172-65.1-25.4000108.3F157 R166F157-N164 HydrophobicContact CD1-CB 3.95Å; F157-N164 HydrophobicContact CE1-CB 4.31Å; N164-R166 PolarHBondContact O-N 2.81Å
165Q89.7Confident88.1Confident84 Ų8481.9 Ų81.939%0.39341%0.411SS..EExtended strand (participates in β ladder)trans-58.9130.8179.1-175.1176.36.900109.3M10 F157 R158 Y163M10-Q165 VanDerWaalsContact CE-CD 3.47Å; M10-Q165 VanDerWaalsContact CE-NE2 3.28Å; F157-Q165 CarbonylContact C-O 3.56Å; F157-Q165 VanDerWaalsContact CA-O 3.29Å; F157-Q165 WeakPolarHBondContact CA-O 3.14Å; R158-Q165 PolarHBondContact N-O 2.84Å; R158-Q165 WeakPolarHBondContact O-CB 3.12Å; R158-Q165 PolarHBondContact O-N 3.28Å; Y163-Q165 PolarHBondContact O-N 3.44Å
166R92.7Very high86.6Confident155 Ų15586.8 Ų86.859%0.58544%0.437SS*.EExtended strand (participates in β ladder)trans-92.5135.6172.5-65.9-178.9170.1169.7-6.1108.7Q112 V155 L156 F157 N164Q112-R166 PolarHBondContact O-NH2 2.9Å; V155-R166 HydrophobicContact CG1-CB 4.25Å; V155-R166 HydrophobicContact CG1-CG 3.62Å; L156-R166 WeakPolarHBondContact O-CA 3.35Å; F157-R166 HydrophobicContact CD1-CG 3.98Å; F157-R166 HydrophobicContact CE1-CG 3.82Å; N164-R166 PolarHBondContact O-N 2.81Å
167I92.7Very high85.3Confident12 Ų1291.3 Ų91.36%0.06247%0.465CS..EExtended strand (participates in β ladder)trans-111.2134.6175.6-58.3169.9000107.7M10 A12 I63 V135 L156 R158 L169M10-I167 HydrophobicContact CB-CD1 4.36Å; M10-I167 HydrophobicContact CB-CG2 4.31Å; M10-I167 HydrophobicContact CE-CD1 3.92Å; M10-I167 HydrophobicContact CE-CG1 4.02Å; M10-I167 HydrophobicContact SD-CD1 3.44Å; M10-I167 WeakPolarHBondContact SD-CD1 2.79Å; M10-I167 HydrophobicContact SD-CG1 4.16Å; A12-I167 HydrophobicContact CB-CG2 3.76Å; I63-I167 HydrophobicContact CD1-CD1 4.19Å; V135-I167 HydrophobicContact CG1-CD1 4.24Å; L156-I167 HydrophobicContact CD2-CB 4.2Å; L156-I167 HydrophobicContact CD2-CG2 4.38Å; L156-I167 PolarHBondContact O-N 2.86Å; R158-I167 HydrophobicContact CB-CD1 3.81Å; R158-I167 HydrophobicContact CB-CG1 4.49Å; I167-L169 PolarHBondContact O-N 3.04Å
168S92.8Very high83.5Confident110 Ų11094.8 Ų94.877%0.76949%0.49SS*.  trans-67.9120.8172.7-62.30000109.8
169L95.8Very high82.7Confident18 Ų18101.7 Ų101.79%0.09452%0.524CS..EExtended strand (participates in β ladder)trans-98.4106.8-179.5179.557.9000109.9A12 I14 I65 L137 Y154 L156 I167A12-L169 HydrophobicContact CB-CD1 3.92Å; I14-L169 HydrophobicContact CB-CD1 4.04Å; I14-L169 HydrophobicContact CG2-CD1 3.79Å; I14-L169 HydrophobicContact CG2-CD2 3.89Å; I14-L169 HydrophobicContact CG2-CG 3.81Å; I65-L169 HydrophobicContact CD1-CD1 4.2Å; L137-L169 HydrophobicContact CD1-CD2 3.82Å; L137-L169 HydrophobicContact CD2-CD2 4.06Å; Y154-L169 HydrophobicContact CD2-CD2 4.13Å; Y154-L169 HydrophobicContact CE2-CB 4.26Å; Y154-L169 HydrophobicContact CE2-CD2 4.23Å; Y154-L169 HydrophobicContact CE2-CG 4.48Å; L156-L169 HydrophobicContact CB-CB 4.43Å; L156-L169 HydrophobicContact CD2-CD1 4.42Å; I167-L169 PolarHBondContact O-N 3.04Å
170A95.3Very high82.2Confident57 Ų57107 Ų10747%0.47155%0.545SS..EExtended strand (participates in β ladder)trans-79.7142.2178.700000111.8A12 S13 I14A12-A170 PolarHBondContact O-N 3.32Å; S13-A170 WeakPolarHBondContact CA-O 3.42Å; I14-A170 PolarHBondContact N-O 3.31Å
171I95.8Very high82.7Confident52 Ų52111.3 Ų111.327%0.26756%0.564SS.*  trans-116.493.4172.4-54.3-178000107.9I14 F19 N173I14-I171 HydrophobicContact CG2-CG1 3.99Å; F19-I171 HydrophobicContact CB-CD1 4.44Å; F19-I171 HydrophobicContact CD1-CD1 4.07Å; F19-I171 HydrophobicContact CD2-CD1 3.88Å; F19-I171 HydrophobicContact CE1-CD1 4.28Å; F19-I171 HydrophobicContact CE2-CD1 4.09Å; F19-I171 HydrophobicContact CG-CD1 3.87Å; F19-I171 HydrophobicContact CZ-CD1 4.3Å; I171-N173 PolarHBondContact O-ND2 3.04Å; I171-N173 VanDerWaalsContact O-ND2 3.13Å
172P92.6Very high83.5Confident80 Ų80110.2 Ų110.252%0.51956%0.561SS.*  trans-62.8139.8179.826-33.8000110.9I14I14-P172 WeakPolarHBondContact O-CD 3.48Å
173N91.5Very high84.4Confident102 Ų102108.1 Ų108.155%0.54556%0.558SS.*  trans-155.4158.5-17467.587.7000109.7I171 G175 N176I171-N173 PolarHBondContact O-ND2 3.04Å; I171-N173 VanDerWaalsContact O-ND2 3.13Å; N173-G175 PolarHBondContact O-N 2.83Å; N173-G175 VanDerWaalsContact O-N 3.09Å; N173-G175 PolarHBondContact OD1-N 3.21Å; N173-N176 PolarHBondContact O-OD1 3.41Å
174L89Confident84.8Confident156 Ų156107.1 Ų107.182%0.81757%0.568SS**G310 helixtrans-67.3-9.4-174.1-58.5175.1000114.8N176 T177L174-N176 VanDerWaalsContact C-N 3.25Å; L174-N176 PolarHBondContact O-N 3Å; L174-T177 PolarHBondContact O-N 3.4Å; L174-T177 PolarHBondContact O-OG1 3.29Å
175G82.8Confident84.4Confident57 Ų57108.5 Ų108.559%0.58858%0.583SS**G310 helixtrans-68.9-20.2-176.800000114.2N173N173-G175 PolarHBondContact O-N 2.83Å; N173-G175 VanDerWaalsContact O-N 3.09Å; N173-G175 PolarHBondContact OD1-N 3.21Å
176N66.1Low84Confident127 Ų127108.1 Ų108.168%0.67959%0.59SS**G310 helixtrans-87.2-0.6-179.671.9-14.2000114.5N173 L174N173-N176 PolarHBondContact O-OD1 3.41Å; L174-N176 VanDerWaalsContact C-N 3.25Å; L174-N176 PolarHBondContact O-N 3Å
177T69.8Low83.7Confident96 Ų96107.2 Ų107.259%0.58960%0.601SS**G310 helixtrans-112.823.8-178.171.40000113.7L174 Q179L174-T177 PolarHBondContact O-N 3.4Å; L174-T177 PolarHBondContact O-OG1 3.29Å; T177-Q179 PolarHBondContact O-N 3.03Å
178S58.6Low82.9Confident79 Ų79112 Ų11255%0.55263%0.633SS**  trans-79.558.9-170.7-172.50000114.5
179Q74.1Confident82.6Confident176 Ų176110.9 Ų110.982%0.82262%0.619SS**  trans-94.584.8164.7-69.4175.5-16.100108.4T177 E181T177-Q179 PolarHBondContact O-N 3.03Å; Q179-E181 WeakPolarHBondContact CA-OE2 3.39Å
180Q74.4Confident82.3Confident143 Ų143116.8 Ų116.867%0.66866%0.656SS**  trans-108.819.8-173.5-61.6-169.20.300113.1Y182Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 VanDerWaalsContact O-CD2 3.31Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.46Å; Q180-Y182 PolarHBondContact O-N 2.94Å
181E85.9Confident82.3Confident156 Ų156116.5 Ų116.573%0.72965%0.65SS**  trans-71.577.1-176.5-63.989.6158.500113.2Q179 K183Q179-E181 WeakPolarHBondContact CA-OE2 3.39Å; E181-K183 PolarHBondContact O-N 2.95Å
182Y86.3Confident82.1Confident211 Ų211122.2 Ų122.283%0.82768%0.675SS**  trans-64.6102.1166.5-70-80.7000110.4Q180 V184Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 VanDerWaalsContact O-CD2 3.31Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.46Å; Q180-Y182 PolarHBondContact O-N 2.94Å; Y182-V184 PolarHBondContact O-N 3Å
183K87.9Confident82.2Confident167 Ų167122.6 Ų122.673%0.72668%0.68SS**  trans-65.597.9178.8-174.7179.3-178.4-177.50111.1E181 S185E181-K183 PolarHBondContact O-N 2.95Å; K183-S185 VanDerWaalsContact C-N 3.31Å; K183-S185 WeakPolarHBondContact CE-O 3.3Å; K183-S185 WeakPolarHBondContact CG-O 3.38Å; K183-S185 PolarHBondContact O-N 3.14Å
184V84.6Confident82.2Confident146 Ų146123.6 Ų123.689%0.88568%0.677SS**  trans-57.7-39.8-175.9-178.60000112.7Y182Y182-V184 PolarHBondContact O-N 3Å
185S74.6Confident82.3Confident94 Ų94117.8 Ų117.866%0.65765%0.652SS**  trans-158.8172.5175.967.70000112.9K183K183-S185 VanDerWaalsContact C-N 3.31Å; K183-S185 WeakPolarHBondContact CE-O 3.3Å; K183-S185 WeakPolarHBondContact CG-O 3.38Å; K183-S185 PolarHBondContact O-N 3.14Å
186S80.9Confident82.8Confident76 Ų76120.9 Ų120.953%0.53165%0.649SS.*  trans-140156.6159.744.60000108.7P188S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.47Å; S186-P188 VanDerWaalsContact O-N 3.14Å
187V85.4Confident84.2Confident137 Ų137118.8 Ų118.883%0.8364%0.64SS**PPolyproline II helixtrans-50.5120.1169.1-178.20000108.9N189V187-N189 PolarHBondContact O-N 3.02Å
188P76.9Confident85.1Confident112 Ų112118.2 Ų118.273%0.72763%0.633SS**PPolyproline II helixtrans-64.4127.7179.1-23.334.9000110.7S186 T190S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.47Å; S186-P188 VanDerWaalsContact O-N 3.14Å; P188-T190 PolarHBondContact O-N 2.92Å
189N85.1Confident86.6Confident87 Ų87121.8 Ų121.847%0.46564%0.639SS.*PPolyproline II helixtrans-73.4122.5176.1-172.7-19.5000109.6V187 S191 Y194V187-N189 PolarHBondContact O-N 3.02Å; N189-S191 PolarHBondContact O-N 3.14Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 2.9Å; N189-Y194 HydrophobicContact CB-CD1 3.68Å; N189-Y194 HydrophobicContact CB-CE1 3.98Å; N189-Y194 HydrophobicContact CB-CG 4.24Å
190T90.6Very high87.5Confident142 Ų142118.5 Ų118.587%0.87162%0.623SS**  trans-74.4-11.1-179.452.40000113.6P188 Q192P188-T190 PolarHBondContact O-N 2.92Å; T190-Q192 PolarHBondContact O-N 2.93Å
191S94.3Very high88.3Confident50 Ų50117.3 Ų117.335%0.3562%0.617SS.*  trans-67.5116.7-179.6-178.70000112.5N189 S193 Y194 A195N189-S191 PolarHBondContact O-N 3.14Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 2.9Å; S191-S193 PolarHBondContact O-N 3.3Å; S191-S193 PolarHBondContact OG-N 2.9Å; S191-Y194 WeakPolarHBondContact O-CB 3.38Å; S191-Y194 PolarHBondContact O-N 3.28Å; S191-A195 PolarHBondContact O-N 3.45Å
192Q93.2Very high88.5Confident172 Ų172110.4 Ų110.480%0.80459%0.588SS**Hα-helixtrans-60.6-33174-62.4-174.37.800112.3T190 A195 K196T190-Q192 PolarHBondContact O-N 2.93Å; Q192-A195 PolarHBondContact O-N 3.42Å; Q192-K196 WeakPolarHBondContact O-CB 3.36Å; Q192-K196 PolarHBondContact O-N 2.73Å
193S94.8Very high88.5Confident88 Ų88104.8 Ų104.862%0.61558%0.576SS**Hα-helixtrans-63.2-42.8176-54.20000111.8S191 K196 V197S191-S193 PolarHBondContact O-N 3.3Å; S191-S193 PolarHBondContact OG-N 2.9Å; S193-K196 PolarHBondContact O-N 3.05Å; S193-V197 WeakPolarHBondContact O-CG2 3.31Å; S193-V197 PolarHBondContact O-N 3.12Å
194Y91.8Very high88.6Confident124 Ų124101.8 Ų101.849%0.48657%0.568SS.*Hα-helixtrans-63.6-48.9173.2177.2-96.9000110.9N189 S191 K196 V197 I198N189-Y194 HydrophobicContact CB-CD1 3.68Å; N189-Y194 HydrophobicContact CB-CE1 3.98Å; N189-Y194 HydrophobicContact CB-CG 4.24Å; S191-Y194 WeakPolarHBondContact O-CB 3.38Å; S191-Y194 PolarHBondContact O-N 3.28Å; Y194-K196 PolarHBondContact O-N 2.87Å; Y194-V197 PolarHBondContact O-N 3.46Å; Y194-I198 HydrophobicContact CD1-CD1 4.17Å; Y194-I198 HydrophobicContact CD1-CG2 4.45Å; Y194-I198 HydrophobicContact CD2-CG2 4.38Å; Y194-I198 HydrophobicContact CE1-CD1 3.78Å; Y194-I198 HydrophobicContact CE1-CG2 4.07Å; Y194-I198 HydrophobicContact CE2-CG2 3.98Å; Y194-I198 WeakPolarHBondContact O-CG1 3.26Å; Y194-I198 PolarHBondContact O-N 3.4Å; Y194-I198 VanDerWaalsContact O-N 3.11Å
195A90.9Very high88.8Confident34 Ų34100.2 Ų100.228%0.28155%0.549SS..Hα-helixtrans-60.7-27.5179.200000113.7S191 Q192 K199S191-A195 PolarHBondContact O-N 3.45Å; Q192-A195 PolarHBondContact O-N 3.42Å; A195-K199 WeakPolarHBondContact O-CD 3.31Å; A195-K199 VanDerWaalsContact O-CG 3.26Å; A195-K199 WeakPolarHBondContact O-CG 3.31Å
196K93.4Very high89.6Confident122 Ų122100.5 Ų100.553%0.5354%0.539SS..Hα-helixtrans-72.5-55.1173.1-178.5177.3174.3-178.70111.4Q192 S193 Y194 I198 K199 E200Q192-K196 WeakPolarHBondContact O-CB 3.36Å; Q192-K196 PolarHBondContact O-N 2.73Å; S193-K196 PolarHBondContact O-N 3.05Å; Y194-K196 PolarHBondContact O-N 2.87Å; K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 3.34Å; K196-K199 PolarHBondContact O-N 3.43Å; K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 WeakPolarHBondContact CE-OE2 3.4Å; K196-E200 HydrophobicContact CG-CG 4.3Å; K196-E200 WeakPolarHBondContact CG-OE2 3.36Å; K196-E200 IonicContact NZ-OE1 3.69Å; K196-E200 PolarHBondContact O-N 2.96Å
197V94Very high89.9Confident82 Ų8298.5 Ų98.550%0.49752%0.522SS..Hα-helixtrans-57.7-43.9-177172.50000111.9S193 Y194 K199 E200 H201S193-V197 WeakPolarHBondContact O-CG2 3.31Å; S193-V197 PolarHBondContact O-N 3.12Å; Y194-V197 PolarHBondContact O-N 3.46Å; V197-K199 PolarHBondContact O-N 2.95Å; V197-E200 PolarHBondContact O-N 2.92Å; V197-H201 PolarHBondContact O-N 2.88Å; V197-H201 VanDerWaalsContact O-N 3.11Å
198I90.3Very high89.9Confident84 Ų84102.1 Ų102.143%0.43153%0.527SS..Hα-helixtrans-69.3-20.1178.769.6177.5000113.6Y194 K196 G202Y194-I198 HydrophobicContact CD1-CD1 4.17Å; Y194-I198 HydrophobicContact CD1-CG2 4.45Å; Y194-I198 HydrophobicContact CD2-CG2 4.38Å; Y194-I198 HydrophobicContact CE1-CD1 3.78Å; Y194-I198 HydrophobicContact CE1-CG2 4.07Å; Y194-I198 HydrophobicContact CE2-CG2 3.98Å; Y194-I198 WeakPolarHBondContact O-CG1 3.26Å; Y194-I198 PolarHBondContact O-N 3.4Å; Y194-I198 VanDerWaalsContact O-N 3.11Å; K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 3.34Å; I198-G202 WeakPolarHBondContact O-CA 3.27Å; I198-G202 PolarHBondContact O-N 2.99Å
199K89.3Confident90.2Very high155 Ų155102.9 Ų102.967%0.67452%0.524SS*.Hα-helixtrans-86-41.6175.2-76.4178.7-179.4-177.30111.6A195 K196 V197 G202A195-K199 WeakPolarHBondContact O-CD 3.31Å; A195-K199 VanDerWaalsContact O-CG 3.26Å; A195-K199 WeakPolarHBondContact O-CG 3.31Å; K196-K199 PolarHBondContact O-N 3.43Å; V197-K199 PolarHBondContact O-N 2.95Å; K199-G202 PolarHBondContact O-N 3.5Å
200E92.3Very high90Very high107 Ų107101.1 Ų101.150%0.553%0.527SS..Hα-helixtrans-66.1-39.7179.5-71.1179.1148.200112.1K196 V197 T203K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 WeakPolarHBondContact CE-OE2 3.4Å; K196-E200 HydrophobicContact CG-CG 4.3Å; K196-E200 WeakPolarHBondContact CG-OE2 3.36Å; K196-E200 IonicContact NZ-OE1 3.69Å; K196-E200 PolarHBondContact O-N 2.96Å; V197-E200 PolarHBondContact O-N 2.92Å; E200-T203 PolarHBondContact O-OG1 2.84Å
201H92.6Very high89.9Confident117 Ų11797.3 Ų97.354%0.54250%0.503SS..THydrogen-bonded Turntrans-93-16.7174-65.6-69.4000113.8V197 T203 D204V197-H201 PolarHBondContact O-N 2.88Å; V197-H201 VanDerWaalsContact O-N 3.11Å; H201-T203 PolarHBondContact O-N 3.22Å; H201-D204 WeakPolarHBondContact O-CB 3.43Å; H201-D204 PolarHBondContact O-N 3.26Å
202G88.6Confident89.8Confident11 Ų1198.6 Ų98.611%0.11351%0.505CS..G310 helixtrans-63.1-28.1178.800000113.4I198 K199 D204 F205 F206I198-G202 WeakPolarHBondContact O-CA 3.27Å; I198-G202 PolarHBondContact O-N 2.99Å; K199-G202 PolarHBondContact O-N 3.5Å; G202-D204 PolarHBondContact O-N 3.48Å; G202-D204 VanDerWaalsContact O-N 3.14Å; G202-F205 PolarHBondContact O-N 2.87Å; G202-F206 VanDerWaalsContact O-CD2 3.32Å; G202-F206 WeakPolarHBondContact O-CD2 3.32Å; G202-F206 PolarHBondContact O-N 2.94Å
203T86.9Confident89.7Confident93 Ų9394.2 Ų94.257%0.57148%0.483SS*.G310 helixtrans-62.9-17177.649.80000114E200 H201 K213E200-T203 PolarHBondContact O-OG1 2.84Å; H201-T203 PolarHBondContact O-N 3.22Å; T203-K213 PolarHBondContact O-NZ 2.85Å
204D89.7Confident89.6Confident104 Ų10494.2 Ų94.256%0.55648%0.476SS*.G310 helixtrans-71.8-33.5174.5-63.8-30.1000111.4H201 G202 K213H201-D204 WeakPolarHBondContact O-CB 3.43Å; H201-D204 PolarHBondContact O-N 3.26Å; G202-D204 PolarHBondContact O-N 3.48Å; G202-D204 VanDerWaalsContact O-N 3.14Å; D204-K213 VanDerWaalsContact C-NZ 3.26Å; D204-K213 PolarHBondContact O-NZ 2.77Å
205F89.7Confident89.6Confident113 Ų11393.3 Ų93.350%0.49648%0.479SS..THydrogen-bonded Turntrans-101.9-38.8-176-58.8-84.9000113.7G202 K213G202-F205 PolarHBondContact O-N 2.87Å; F205-K213 WeakPolarHBondContact O-CG 3.4Å; F205-K213 PolarHBondContact O-N 2.87Å
206F90.7Very high89.5Confident101 Ų10197.4 Ų97.444%0.44349%0.487SS..BIsolated β-bridgetrans-87.7137.6179.4-63-72.1000111.5G202 G210 V211 K213G202-F206 VanDerWaalsContact O-CD2 3.32Å; G202-F206 WeakPolarHBondContact O-CD2 3.32Å; G202-F206 PolarHBondContact O-N 2.94Å; F206-G210 WeakPolarHBondContact CD1-O 3.4Å; F206-V211 CarbonylContact C-O 3.54Å; F206-V211 WeakPolarHBondContact CA-O 3.5Å; F206-K213 VanDerWaalsContact C-CE 3.45Å; F206-K213 WeakPolarHBondContact O-CE 3.42Å; F206-K213 PolarHBondContact O-NZ 3.37Å
207D87.4Confident89.5Confident34 Ų3494.1 Ų94.118%0.18248%0.482CS..  trans-81.6-177.4169.266.630.1000111.9D209 G210 V211 K213 R216D207-D209 PolarHBondContact O-N 2.95Å; D207-D209 WeakPolarHBondContact OD1-CB 3.35Å; D207-D209 PolarHBondContact OD1-N 3.06Å; D207-G210 PolarHBondContact O-N 2.68Å; D207-G210 VanDerWaalsContact O-N 3.08Å; D207-G210 PolarHBondContact OD1-N 3.36Å; D207-V211 PolarHBondContact N-O 3.17Å; D207-V211 PolarHBondContact OD1-N 3.32Å; D207-K213 HydrophobicContact CB-CG 4.08Å; D207-R216 IonicContact OD2-CZ 3.44Å; D207-R216 IonicContact OD2-NE 3.55Å; D207-R216 PolarHBondContact OD2-NE 3.08Å; D207-R216 IonicContact OD2-NH2 3.62Å; D207-R216 PolarHBondContact OD2-NH2 3.38Å
208K84.8Confident89.6Confident213 Ų21395.7 Ų95.793%0.92649%0.487SS*.THydrogen-bonded Turntrans-66.1-18-175.4-63.6-174.5-179.7-1780113.6G210K208-G210 VanDerWaalsContact C-N 3.34Å
209D83.4Confident89.8Confident127 Ų12797 Ų9768%0.67949%0.487SS*.THydrogen-bonded Turntrans-940.8179.6-48-37.8000111.2D207 V211 R216D207-D209 PolarHBondContact O-N 2.95Å; D207-D209 WeakPolarHBondContact OD1-CB 3.35Å; D207-D209 PolarHBondContact OD1-N 3.06Å; D209-V211 VanDerWaalsContact C-N 3.33Å; D209-V211 HydrophobicContact CB-CG2 4.32Å; D209-R216 IonicContact OD2-NH2 3.47Å
210G82.4Confident90.1Very high50 Ų5095.5 Ų95.552%0.51548%0.482SS..SBendtrans79.711.2-174.800000114.1F206 D207 K208F206-G210 WeakPolarHBondContact CD1-O 3.4Å; D207-G210 PolarHBondContact O-N 2.68Å; D207-G210 VanDerWaalsContact O-N 3.08Å; D207-G210 PolarHBondContact OD1-N 3.36Å; K208-G210 VanDerWaalsContact C-N 3.34Å
211V87.8Confident90.4Very high63 Ų6395 Ų9538%0.38249%0.486SS..  trans-92.7140.9-179.1-177.70000110F206 D207 D209 K213F206-V211 CarbonylContact C-O 3.54Å; F206-V211 WeakPolarHBondContact CA-O 3.5Å; D207-V211 PolarHBondContact N-O 3.17Å; D207-V211 PolarHBondContact OD1-N 3.32Å; D209-V211 VanDerWaalsContact C-N 3.33Å; D209-V211 HydrophobicContact CB-CG2 4.32Å; V211-K213 PolarHBondContact O-N 2.94Å
212M91.1Very high90.6Very high76 Ų7694.7 Ų94.737%0.37448%0.481SS..BIsolated β-bridgetrans-68.9122.1176.2-179.4178.9-75.900110.6D214 I215M212-D214 HydrophobicContact CG-CB 4.36Å; M212-D214 PolarHBondContact O-N 3.03Å; M212-I215 HydrophobicContact CB-CD1 3.91Å; M212-I215 HydrophobicContact CB-CG1 4.06Å; M212-I215 HydrophobicContact CG-CG1 4.3Å; M212-I215 PolarHBondContact O-N 2.7Å; M212-I215 HydrophobicContact SD-CD1 4.47Å; M212-I215 HydrophobicContact SD-CG1 4.28Å
213K92.2Very high91Very high80 Ų8095.6 Ų95.635%0.34848%0.483SS..Hα-helixtrans-56.5-38.5-175.3-66.9163-164.7165.70112.3T203 D204 F205 F206 D207 V211 I215 R216 A217T203-K213 PolarHBondContact O-NZ 2.85Å; D204-K213 VanDerWaalsContact C-NZ 3.26Å; D204-K213 PolarHBondContact O-NZ 2.77Å; F205-K213 WeakPolarHBondContact O-CG 3.4Å; F205-K213 PolarHBondContact O-N 2.87Å; F206-K213 VanDerWaalsContact C-CE 3.45Å; F206-K213 WeakPolarHBondContact O-CE 3.42Å; F206-K213 PolarHBondContact O-NZ 3.37Å; D207-K213 HydrophobicContact CB-CG 4.08Å; V211-K213 PolarHBondContact O-N 2.94Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 3.08Å; K213-R216 WeakPolarHBondContact O-CA 3.39Å; K213-R216 VanDerWaalsContact O-CB 3.3Å; K213-R216 WeakPolarHBondContact O-CB 3.17Å; K213-R216 PolarHBondContact O-N 2.74Å; K213-A217 PolarHBondContact O-N 3.34Å
214D92.4Very high91.6Very high89 Ų8993.9 Ų93.948%0.47648%0.479SS..Hα-helixtrans-66.9-32.3-174.8-54.5-54.1000112.9M212 R216 A217 I218M212-D214 HydrophobicContact CG-CB 4.36Å; M212-D214 PolarHBondContact O-N 3.03Å; D214-R216 VanDerWaalsContact C-N 3.27Å; D214-R216 PolarHBondContact O-N 3.18Å; D214-A217 PolarHBondContact O-N 3.47Å; D214-I218 WeakPolarHBondContact O-CG2 3.45Å; D214-I218 PolarHBondContact O-N 3.29Å
215I92.2Very high92Very high104 Ų10494.2 Ų94.253%0.53348%0.48SS..Hα-helixtrans-60.2-42.6172.7-59.1177.5000109.7M212 K213 Y219M212-I215 HydrophobicContact CB-CD1 3.91Å; M212-I215 HydrophobicContact CB-CG1 4.06Å; M212-I215 HydrophobicContact CG-CG1 4.3Å; M212-I215 PolarHBondContact O-N 2.7Å; M212-I215 HydrophobicContact SD-CD1 4.47Å; M212-I215 HydrophobicContact SD-CG1 4.28Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 3.08Å; I215-Y219 VanDerWaalsContact O-CB 3.25Å; I215-Y219 WeakPolarHBondContact O-CB 3.42Å; I215-Y219 PolarHBondContact O-N 2.63Å; I215-Y219 VanDerWaalsContact O-N 3.17Å
216R88.8Confident92.4Very high121 Ų12191.9 Ų91.946%0.45747%0.471SS..Hα-helixtrans-67.5-41177.4-155-175.2-64.2-106.512.4110.7D207 D209 K213 D214 Q220D207-R216 IonicContact OD2-CZ 3.44Å; D207-R216 IonicContact OD2-NE 3.55Å; D207-R216 PolarHBondContact OD2-NE 3.08Å; D207-R216 IonicContact OD2-NH2 3.62Å; D207-R216 PolarHBondContact OD2-NH2 3.38Å; D209-R216 IonicContact OD2-NH2 3.47Å; K213-R216 WeakPolarHBondContact O-CA 3.39Å; K213-R216 VanDerWaalsContact O-CB 3.3Å; K213-R216 WeakPolarHBondContact O-CB 3.17Å; K213-R216 PolarHBondContact O-N 2.74Å; D214-R216 VanDerWaalsContact C-N 3.27Å; D214-R216 PolarHBondContact O-N 3.18Å; R216-Q220 WeakPolarHBondContact O-CG 3.47Å; R216-Q220 PolarHBondContact O-N 2.76Å
217A93.3Very high92.7Very high52 Ų5293.8 Ų93.843%0.4348%0.481SS..Hα-helixtrans-66.1-51.3179.300000112.8K213 D214 Y219 Q220 V221K213-A217 PolarHBondContact O-N 3.34Å; D214-A217 PolarHBondContact O-N 3.47Å; A217-Y219 VanDerWaalsContact C-N 3.29Å; A217-Y219 PolarHBondContact O-N 3.18Å; A217-Q220 PolarHBondContact O-N 3.32Å; A217-V221 PolarHBondContact O-N 3.24Å; A217-V221 VanDerWaalsContact O-N 3.14Å
218I95.1Very high93.2Very high116 Ų11698.6 Ų98.660%0.59550%0.5SS*.Hα-helixtrans-64.9-34.3-179.9-165.660.4000111.7D214 V221 Y222D214-I218 WeakPolarHBondContact O-CG2 3.45Å; D214-I218 PolarHBondContact O-N 3.29Å; I218-V221 PolarHBondContact O-N 2.84Å; I218-Y222 WeakPolarHBondContact O-CB 3.31Å; I218-Y222 PolarHBondContact O-N 3.09Å
219Y94.9Very high93.9Very high112 Ų11292.1 Ų92.144%0.43948%0.478SS..Hα-helixtrans-65.7-37.3175.5-168.8-116.3000112.5I215 A217 Y222 N223I215-Y219 VanDerWaalsContact O-CB 3.25Å; I215-Y219 WeakPolarHBondContact O-CB 3.42Å; I215-Y219 PolarHBondContact O-N 2.63Å; I215-Y219 VanDerWaalsContact O-N 3.17Å; A217-Y219 VanDerWaalsContact C-N 3.29Å; A217-Y219 PolarHBondContact O-N 3.18Å; Y219-Y222 PolarHBondContact O-N 3.33Å; Y219-N223 VanDerWaalsContact CD1-ND2 3.3Å; Y219-N223 WeakPolarHBondContact CD1-ND2 3.41Å; Y219-N223 WeakPolarHBondContact CE1-ND2 3.26Å; Y219-N223 WeakPolarHBondContact O-CB 3.37Å; Y219-N223 PolarHBondContact O-N 3.05Å; Y219-N223 PolarHBondContact O-ND2 2.85Å; Y219-N223 VanDerWaalsContact O-ND2 3.11Å
220Q95.7Very high94.6Very high122 Ų12289.5 Ų89.557%0.5746%0.462SS*.Hα-helixtrans-66.4-43.2174.2-68.9-65.8-7.600112R216 A217 Y222 N223 A224R216-Q220 WeakPolarHBondContact O-CG 3.47Å; R216-Q220 PolarHBondContact O-N 2.76Å; A217-Q220 PolarHBondContact O-N 3.32Å; Q220-Y222 VanDerWaalsContact C-N 3.35Å; Q220-Y222 PolarHBondContact O-N 2.66Å; Q220-N223 PolarHBondContact O-N 3.22Å; Q220-A224 WeakPolarHBondContact O-CB 3.34Å; Q220-A224 PolarHBondContact O-N 2.87Å
221V98Very high95.3Very high96 Ų9689.3 Ų89.358%0.58246%0.455SS*.Hα-helixtrans-62-43.4175.2176.10000111.1A217 I218 L225A217-V221 PolarHBondContact O-N 3.24Å; A217-V221 VanDerWaalsContact O-N 3.14Å; I218-V221 PolarHBondContact O-N 2.84Å; V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 3.33Å
222Y97.4Very high95.9Very high111 Ų11189.6 Ų89.644%0.43546%0.457SS..Hα-helixtrans-60.4-48.4175.8175.3-91.9000112.3I218 Y219 Q220 L225 Q226I218-Y222 WeakPolarHBondContact O-CB 3.31Å; I218-Y222 PolarHBondContact O-N 3.09Å; Y219-Y222 PolarHBondContact O-N 3.33Å; Q220-Y222 VanDerWaalsContact C-N 3.35Å; Q220-Y222 PolarHBondContact O-N 2.66Å; Y222-L225 PolarHBondContact O-N 3.38Å; Y222-Q226 WeakPolarHBondContact O-CB 3.46Å; Y222-Q226 PolarHBondContact O-N 2.9Å
223N97.8Very high96.2Very high30 Ų3088.5 Ų88.516%0.1646%0.456CS..Hα-helixtrans-62.8-46.6179.8-68.4-28000111.5Y219 Q220 L225 Q226 E227Y219-N223 VanDerWaalsContact CD1-ND2 3.3Å; Y219-N223 WeakPolarHBondContact CD1-ND2 3.41Å; Y219-N223 WeakPolarHBondContact CE1-ND2 3.26Å; Y219-N223 WeakPolarHBondContact O-CB 3.37Å; Y219-N223 PolarHBondContact O-N 3.05Å; Y219-N223 PolarHBondContact O-ND2 2.85Å; Y219-N223 VanDerWaalsContact O-ND2 3.11Å; Q220-N223 PolarHBondContact O-N 3.22Å; N223-L225 VanDerWaalsContact C-N 3.27Å; N223-L225 PolarHBondContact O-N 3.09Å; N223-Q226 PolarHBondContact O-N 2.86Å; N223-Q226 VanDerWaalsContact O-N 3.09Å; N223-E227 WeakPolarHBondContact O-CG 3.49Å; N223-E227 PolarHBondContact O-N 3.09Å
224A98.1Very high96.5Very high58 Ų5886.5 Ų86.548%0.47946%0.455SS..Hα-helixtrans-61.1-36.6178.200000112.2Q220 K228Q220-A224 WeakPolarHBondContact O-CB 3.34Å; Q220-A224 PolarHBondContact O-N 2.87Å; A224-K228 WeakPolarHBondContact O-CB 3.3Å; A224-K228 PolarHBondContact O-N 3.49Å; A224-K228 VanDerWaalsContact O-N 3.1Å
225L98.3Very high96.8Very high111 Ų11186.7 Ų86.758%0.58146%0.456SS*.Hα-helixtrans-67.6-43.6172.2-178.860.5000111.7V221 Y222 N223 K228 V229V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 3.33Å; Y222-L225 PolarHBondContact O-N 3.38Å; N223-L225 VanDerWaalsContact C-N 3.27Å; N223-L225 PolarHBondContact O-N 3.09Å; L225-K228 PolarHBondContact O-N 3.49Å; L225-V229 WeakPolarHBondContact O-CG2 3.04Å; L225-V229 PolarHBondContact O-N 3.22Å
226Q98Very high97.1Very high63 Ų6385.2 Ų85.229%0.29445%0.452SS..Hα-helixtrans-64.1-42.4178.8-172175.212.300112.1Y222 N223 K228 V229 Q230Y222-Q226 WeakPolarHBondContact O-CB 3.46Å; Y222-Q226 PolarHBondContact O-N 2.9Å; N223-Q226 PolarHBondContact O-N 2.86Å; N223-Q226 VanDerWaalsContact O-N 3.09Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.24Å; Q226-V229 PolarHBondContact O-N 2.85Å; Q226-Q230 PolarHBondContact O-N 3.18Å
227E97.9Very high97.5Very high141 Ų14183.6 Ų83.666%0.65945%0.449SS*.Hα-helixtrans-60.3-42.9172.8-73.3178.8-176.800111.3N223 V229 Q230 A231N223-E227 WeakPolarHBondContact O-CG 3.49Å; N223-E227 PolarHBondContact O-N 3.09Å; E227-V229 PolarHBondContact O-N 3.14Å; E227-Q230 PolarHBondContact O-N 3.33Å; E227-A231 PolarHBondContact O-N 3.19Å
228K98.4Very high97.7Very high136 Ų13686.8 Ų86.859%0.59145%0.453SS*.Hα-helixtrans-65.8-37.9177.1-174.955.5179.3172.30112.5A224 L225 Q226 V232A224-K228 WeakPolarHBondContact O-CB 3.3Å; A224-K228 PolarHBondContact O-N 3.49Å; A224-K228 VanDerWaalsContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3.49Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.24Å; K228-V232 WeakPolarHBondContact O-CG2 3.27Å; K228-V232 PolarHBondContact O-N 3.5Å; K228-V232 VanDerWaalsContact O-N 3.1Å
229V98.4Very high97.9Very high76 Ų7683.9 Ų83.946%0.46144%0.443SS..Hα-helixtrans-62.8-48.3172.6169.10000110.6L225 Q226 E227 A231 V232 C233L225-V229 WeakPolarHBondContact O-CG2 3.04Å; L225-V229 PolarHBondContact O-N 3.22Å; Q226-V229 PolarHBondContact O-N 2.85Å; E227-V229 PolarHBondContact O-N 3.14Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.64Å; V229-V232 PolarHBondContact O-N 3.28Å; V229-V232 VanDerWaalsContact O-N 3.11Å; V229-C233 PolarHBondContact O-N 3.49Å; V229-C233 PolarHBondContact O-SG 3.34Å; V229-C233 VanDerWaalsContact O-SG 3.32Å
230Q98.1Very high98.1Very high73 Ų7384.1 Ų84.134%0.34145%0.448SS..Hα-helixtrans-59.8-39.6179-171.969.823.600112.1Q226 E227 C233 A234 V338Q226-Q230 PolarHBondContact O-N 3.18Å; E227-Q230 PolarHBondContact O-N 3.33Å; Q230-C233 PolarHBondContact O-N 3.08Å; Q230-A234 PolarHBondContact O-N 3.22Å; Q230-A234 VanDerWaalsContact O-N 3.11Å; Q230-V338 PolarHBondContact NE2-O 3.16Å
231A98.3Very high98.2Very high45 Ų4585.7 Ų85.737%0.37245%0.449SS..Hα-helixtrans-62.3-45174.300000112.2E227 V229 A234 D235E227-A231 PolarHBondContact O-N 3.19Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.64Å; A231-A234 PolarHBondContact O-N 3.4Å; A231-D235 PolarHBondContact O-N 3.09Å
232V98.4Very high98.2Very high70 Ų7085.4 Ų85.442%0.42445%0.447SS..Hα-helixtrans-65-39.1176.4172.20000111.5K228 V229 A234 D235 V236K228-V232 WeakPolarHBondContact O-CG2 3.27Å; K228-V232 PolarHBondContact O-N 3.5Å; K228-V232 VanDerWaalsContact O-N 3.1Å; V229-V232 PolarHBondContact O-N 3.28Å; V229-V232 VanDerWaalsContact O-N 3.11Å; V232-A234 VanDerWaalsContact C-N 3.31Å; V232-A234 PolarHBondContact O-N 3.3Å; V232-D235 PolarHBondContact O-N 2.95Å; V232-D235 VanDerWaalsContact O-N 3.15Å; V232-V236 HydrophobicContact CG1-CG2 4.24Å; V232-V236 WeakPolarHBondContact O-CG2 3.42Å; V232-V236 PolarHBondContact O-N 2.73Å
233C98.3Very high98.2Very high52 Ų5284.2 Ų84.235%0.35145%0.451SS..Hα-helixtrans-58.2-42.3174-69.20000112.2V229 Q230 D235 V236 E237V229-C233 PolarHBondContact O-N 3.49Å; V229-C233 PolarHBondContact O-SG 3.34Å; V229-C233 VanDerWaalsContact O-SG 3.32Å; Q230-C233 PolarHBondContact O-N 3.08Å; C233-D235 VanDerWaalsContact C-N 3.31Å; C233-D235 PolarHBondContact O-N 3.32Å; C233-V236 PolarHBondContact O-N 3.28Å; C233-E237 PolarHBondContact O-N 2.81Å
234A98.1Very high98.2Very high38 Ų3889.5 Ų89.531%0.31448%0.475SS..Hα-helixtrans-66.5-30.1177.300000113Q230 A231 V232 K238Q230-A234 PolarHBondContact O-N 3.22Å; Q230-A234 VanDerWaalsContact O-N 3.11Å; A231-A234 PolarHBondContact O-N 3.4Å; V232-A234 VanDerWaalsContact C-N 3.31Å; V232-A234 PolarHBondContact O-N 3.3Å; A234-K238 WeakPolarHBondContact O-CD 3.47Å; A234-K238 WeakPolarHBondContact O-CE 3.46Å; A234-K238 VanDerWaalsContact O-CG 3.26Å; A234-K238 WeakPolarHBondContact O-CG 3.5Å; A234-K238 PolarHBondContact O-N 2.65Å
235D98.4Very high98.2Very high93 Ų9390.5 Ų90.550%0.49748%0.478SS..Hα-helixtrans-78.8-38.1174.9-70.9-25.2000112.4A231 V232 C233 K238 S239A231-D235 PolarHBondContact O-N 3.09Å; V232-D235 PolarHBondContact O-N 2.95Å; V232-D235 VanDerWaalsContact O-N 3.15Å; C233-D235 VanDerWaalsContact C-N 3.31Å; C233-D235 PolarHBondContact O-N 3.32Å; D235-K238 PolarHBondContact O-N 3.43Å; D235-K238 IonicContact OD1-NZ 3.27Å; D235-K238 PolarHBondContact OD1-NZ 3.13Å; D235-S239 PolarHBondContact O-N 2.95Å; D235-S239 PolarHBondContact O-OG 3.18Å
236V98.4Very high98.2Very high74 Ų7488.4 Ų88.445%0.44847%0.472SS..Hα-helixtrans-61.2-43.3172.1171.40000111V232 C233 K238 S239 E240V232-V236 HydrophobicContact CG1-CG2 4.24Å; V232-V236 WeakPolarHBondContact O-CG2 3.42Å; V232-V236 PolarHBondContact O-N 2.73Å; C233-V236 PolarHBondContact O-N 3.28Å; V236-K238 VanDerWaalsContact C-N 3.29Å; V236-K238 PolarHBondContact O-N 3.14Å; V236-S239 WeakPolarHBondContact CA-OG 3.34Å; V236-S239 PolarHBondContact O-N 3.03Å; V236-S239 VanDerWaalsContact O-N 3.12Å; V236-S239 PolarHBondContact O-OG 2.86Å; V236-E240 HydrophobicContact CG1-CG 4.29Å; V236-E240 WeakPolarHBondContact O-CG 3.47Å; V236-E240 PolarHBondContact O-N 2.94Å
237E98.2Very high98.2Very high87 Ų8789.8 Ų89.841%0.40748%0.479SS..Hα-helixtrans-58.8-41176.8-165.2-163.9160.500112C233 R241C233-E237 PolarHBondContact O-N 2.81Å; E237-R241 VanDerWaalsContact O-CG 3.31Å; E237-R241 WeakPolarHBondContact O-CG 3.21Å; E237-R241 PolarHBondContact O-N 3.29Å; E237-R241 IonicContact OE1-CZ 2.87Å; E237-R241 IonicContact OE1-NE 3.25Å; E237-R241 PolarHBondContact OE1-NE 2.87Å; E237-R241 IonicContact OE1-NH2 2.75Å; E237-R241 PolarHBondContact OE1-NH2 3.17Å
238K98.4Very high98.1Very high119 Ų11985.7 Ų85.752%0.51747%0.469SS..Hα-helixtrans-63.9-43.6175.2-64.4160.7-156.4158.60111A234 D235 V236 R241 V242A234-K238 WeakPolarHBondContact O-CD 3.47Å; A234-K238 WeakPolarHBondContact O-CE 3.46Å; A234-K238 VanDerWaalsContact O-CG 3.26Å; A234-K238 WeakPolarHBondContact O-CG 3.5Å; A234-K238 PolarHBondContact O-N 2.65Å; D235-K238 PolarHBondContact O-N 3.43Å; D235-K238 IonicContact OD1-NZ 3.27Å; D235-K238 PolarHBondContact OD1-NZ 3.13Å; V236-K238 VanDerWaalsContact C-N 3.29Å; V236-K238 PolarHBondContact O-N 3.14Å; K238-R241 PolarHBondContact O-N 2.77Å; K238-V242 WeakPolarHBondContact O-CG2 3.43Å; K238-V242 PolarHBondContact O-N 3.43Å
239S98.4Very high98.1Very high55 Ų5585 Ų8539%0.38547%0.468SS..Hα-helixtrans-67.3-39.1179.955.70000112.9D235 V236 R241 V242 V243D235-S239 PolarHBondContact O-N 2.95Å; D235-S239 PolarHBondContact O-OG 3.18Å; V236-S239 WeakPolarHBondContact CA-OG 3.34Å; V236-S239 PolarHBondContact O-N 3.03Å; V236-S239 VanDerWaalsContact O-N 3.12Å; V236-S239 PolarHBondContact O-OG 2.86Å; S239-R241 PolarHBondContact O-N 2.84Å; S239-V242 PolarHBondContact O-N 3.38Å; S239-V242 VanDerWaalsContact O-N 3.14Å; S239-V243 WeakPolarHBondContact O-CG2 3.35Å; S239-V243 PolarHBondContact O-N 3.46Å
240E98.1Very high98.1Very high116 Ų11684.2 Ų84.254%0.54246%0.463SS..Hα-helixtrans-62.9-42.8176.9-70.1-57.9118.300111.6V236 V242 V243 E244V236-E240 HydrophobicContact CG1-CG 4.29Å; V236-E240 WeakPolarHBondContact O-CG 3.47Å; V236-E240 PolarHBondContact O-N 2.94Å; E240-V242 VanDerWaalsContact C-N 3.27Å; E240-V242 PolarHBondContact O-N 2.94Å; E240-V243 PolarHBondContact O-N 2.94Å; E240-E244 WeakPolarHBondContact O-CB 3.38Å; E240-E244 PolarHBondContact O-N 3.38Å
241R98.3Very high98Very high155 Ų15584 Ų8459%0.58546%0.464SS*.Hα-helixtrans-60-35173.5-68169.5178.9-136.59112.7E237 K238 S239 S245E237-R241 VanDerWaalsContact O-CG 3.31Å; E237-R241 WeakPolarHBondContact O-CG 3.21Å; E237-R241 PolarHBondContact O-N 3.29Å; E237-R241 IonicContact OE1-CZ 2.87Å; E237-R241 IonicContact OE1-NE 3.25Å; E237-R241 PolarHBondContact OE1-NE 2.87Å; E237-R241 IonicContact OE1-NH2 2.75Å; E237-R241 PolarHBondContact OE1-NH2 3.17Å; K238-R241 PolarHBondContact O-N 2.77Å; S239-R241 PolarHBondContact O-N 2.84Å; R241-S245 WeakPolarHBondContact O-CB 3.31Å; R241-S245 PolarHBondContact O-N 3.3Å; R241-S245 VanDerWaalsContact O-N 3.13Å
242V98.6Very high98Very high90 Ų9087.7 Ų87.755%0.54547%0.472SS..Hα-helixtrans-71-43.6175.1171.40000110.8K238 S239 E240 S245 C246K238-V242 WeakPolarHBondContact O-CG2 3.43Å; K238-V242 PolarHBondContact O-N 3.43Å; S239-V242 PolarHBondContact O-N 3.38Å; S239-V242 VanDerWaalsContact O-N 3.14Å; E240-V242 VanDerWaalsContact C-N 3.27Å; E240-V242 PolarHBondContact O-N 2.94Å; V242-S245 PolarHBondContact O-N 3.13Å; V242-C246 PolarHBondContact O-N 3.06Å; V242-C246 PolarHBondContact O-SG 3.3Å; V242-C246 VanDerWaalsContact O-SG 3.38Å
243V97.8Very high98Very high86 Ų8688.3 Ų88.352%0.52147%0.473SS..Hα-helixtrans-61.2-44.5176171.20000111.1S239 E240 C246 Q247S239-V243 WeakPolarHBondContact O-CG2 3.35Å; S239-V243 PolarHBondContact O-N 3.46Å; E240-V243 PolarHBondContact O-N 2.94Å; V243-C246 PolarHBondContact O-N 3.42Å; V243-Q247 WeakPolarHBondContact O-CB 3.46Å; V243-Q247 PolarHBondContact O-N 3.21Å
244E97.6Very high97.9Very high141 Ų14193.4 Ų93.466%0.65949%0.485SS*.Hα-helixtrans-55.5-51.3173.6-179.8-178-152.800111.4E240 Q247 A248E240-E244 WeakPolarHBondContact O-CB 3.38Å; E240-E244 PolarHBondContact O-N 3.38Å; E244-Q247 PolarHBondContact O-N 2.9Å; E244-A248 WeakPolarHBondContact O-CB 3.18Å; E244-A248 PolarHBondContact O-N 2.88Å
245S98.4Very high97.9Very high79 Ų79100 Ų10055%0.55250%0.502SS*.Hα-helixtrans-59.9-49.4179.9-171.80000112.3R241 V242 Q247 A248 E249R241-S245 WeakPolarHBondContact O-CB 3.31Å; R241-S245 PolarHBondContact O-N 3.3Å; R241-S245 VanDerWaalsContact O-N 3.13Å; V242-S245 PolarHBondContact O-N 3.13Å; S245-Q247 VanDerWaalsContact C-N 3.35Å; S245-Q247 PolarHBondContact O-N 3.27Å; S245-A248 PolarHBondContact O-N 2.93Å; S245-E249 PolarHBondContact O-N 2.96Å
246C98.3Very high97.9Very high67 Ų67100.1 Ų100.145%0.45350%0.499SS..Hα-helixtrans-63-39.4177.1-68.70000112.2V242 V243 E249 V250V242-C246 PolarHBondContact O-N 3.06Å; V242-C246 PolarHBondContact O-SG 3.3Å; V242-C246 VanDerWaalsContact O-SG 3.38Å; V243-C246 PolarHBondContact O-N 3.42Å; C246-E249 PolarHBondContact O-N 3.03Å; C246-V250 WeakPolarHBondContact O-CG2 3.22Å; C246-V250 PolarHBondContact O-N 2.72Å
247Q96.4Very high97.8Very high92 Ų92101.2 Ų101.243%0.4350%0.501SS..Hα-helixtrans-68.8-36.3178.1-173.455.674.100111.8V243 E244 S245 N251V243-Q247 WeakPolarHBondContact O-CB 3.46Å; V243-Q247 PolarHBondContact O-N 3.21Å; E244-Q247 PolarHBondContact O-N 2.9Å; S245-Q247 VanDerWaalsContact C-N 3.35Å; S245-Q247 PolarHBondContact O-N 3.27Å; Q247-N251 PolarHBondContact NE2-ND2 3.39Å; Q247-N251 PolarHBondContact NE2-OD1 3.29Å; Q247-N251 VanDerWaalsContact O-CB 3.31Å; Q247-N251 WeakPolarHBondContact O-CB 3.35Å; Q247-N251 PolarHBondContact O-N 3.05Å; Q247-N251 PolarHBondContact O-ND2 3.13Å
248A97.7Very high97.8Very high56 Ų56100.7 Ų100.746%0.46350%0.504SS..Hα-helixtrans-65.1-41.517300000112E244 S245 N251 K252E244-A248 WeakPolarHBondContact O-CB 3.18Å; E244-A248 PolarHBondContact O-N 2.88Å; S245-A248 PolarHBondContact O-N 2.93Å; A248-N251 PolarHBondContact O-N 3.29Å; A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.26Å
249E98.3Very high97.7Very high120 Ų120100.3 Ų100.356%0.56150%0.504SS*.Hα-helixtrans-64.4-48.2174.6-177.3170.2-15000111.9S245 C246 N251 K252 L253S245-E249 PolarHBondContact O-N 2.96Å; C246-E249 PolarHBondContact O-N 3.03Å; E249-N251 PolarHBondContact O-N 3.02Å; E249-K252 WeakPolarHBondContact O-CB 3.38Å; E249-K252 PolarHBondContact O-N 2.68Å; E249-L253 HydrophobicContact CG-CD1 4.04Å; E249-L253 HydrophobicContact CG-CG 4.41Å; E249-L253 WeakPolarHBondContact O-CG 3.45Å; E249-L253 PolarHBondContact O-N 3.18Å
250V97.8Very high97.6Very high60 Ų60104.9 Ų104.936%0.36452%0.517SS..Hα-helixtrans-56.9-40.5174.8168.40000111.1C246 L253 R254C246-V250 WeakPolarHBondContact O-CG2 3.22Å; C246-V250 PolarHBondContact O-N 2.72Å; V250-L253 PolarHBondContact O-N 2.97Å; V250-R254 HydrophobicContact CG1-CG 4.44Å; V250-R254 WeakPolarHBondContact O-CB 3.47Å; V250-R254 WeakPolarHBondContact O-CG 3.37Å; V250-R254 PolarHBondContact O-N 2.89Å
251N96.4Very high97.5Very high68 Ų68106.1 Ų106.136%0.36452%0.521SS..Hα-helixtrans-70.3-31.7176.6-72.2-17.5000113.2Q247 A248 E249 R255Q247-N251 PolarHBondContact NE2-ND2 3.39Å; Q247-N251 PolarHBondContact NE2-OD1 3.29Å; Q247-N251 VanDerWaalsContact O-CB 3.31Å; Q247-N251 WeakPolarHBondContact O-CB 3.35Å; Q247-N251 PolarHBondContact O-N 3.05Å; Q247-N251 PolarHBondContact O-ND2 3.13Å; A248-N251 PolarHBondContact O-N 3.29Å; E249-N251 PolarHBondContact O-N 3.02Å; N251-R255 WeakPolarHBondContact O-CG 3.34Å; N251-R255 PolarHBondContact O-N 2.9Å; N251-R255 PolarHBondContact O-NE 3.29Å
252K98Very high97.3Very high123 Ų123103.3 Ų103.354%0.53552%0.517SS..Hα-helixtrans-67.1-48.6171.8-177.2-176.8178.1-175.80111.1A248 E249 R255 Q256A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.26Å; E249-K252 WeakPolarHBondContact O-CB 3.38Å; E249-K252 PolarHBondContact O-N 2.68Å; K252-R255 PolarHBondContact O-N 3.36Å; K252-Q256 WeakPolarHBondContact O-CG 3.31Å; K252-Q256 PolarHBondContact O-N 3.23Å; K252-Q256 VanDerWaalsContact O-N 3.08Å
253L98.3Very high97.1Very high83 Ų83102.8 Ų102.844%0.43551%0.509SS..Hα-helixtrans-63.8-42.6178.5-67.7171.4000111.8E249 V250 R255 Q256 I257E249-L253 HydrophobicContact CG-CD1 4.04Å; E249-L253 HydrophobicContact CG-CG 4.41Å; E249-L253 WeakPolarHBondContact O-CG 3.45Å; E249-L253 PolarHBondContact O-N 3.18Å; V250-L253 PolarHBondContact O-N 2.97Å; L253-R255 PolarHBondContact O-N 2.92Å; L253-Q256 PolarHBondContact O-N 2.98Å; L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 2.88Å
254R97.1Very high97Very high159 Ų159106 Ų10660%0.652%0.516SS*.Hα-helixtrans-56.8-46.1173.3-77.1172.8179-166.4-0112V250 I257 T258V250-R254 HydrophobicContact CG1-CG 4.44Å; V250-R254 WeakPolarHBondContact O-CB 3.47Å; V250-R254 WeakPolarHBondContact O-CG 3.37Å; V250-R254 PolarHBondContact O-N 2.89Å; R254-I257 PolarHBondContact O-N 2.86Å; R254-T258 PolarHBondContact O-N 3.11Å; R254-T258 PolarHBondContact O-OG1 3.35Å
255R96.9Very high96.7Very high178 Ų178102 Ų10267%0.67250%0.497SS*.Hα-helixtrans-60.4-45.1176.2-77.1-176-70.9172.1-2112.3N251 K252 L253 I257 T258 Q259N251-R255 WeakPolarHBondContact O-CG 3.34Å; N251-R255 PolarHBondContact O-N 2.9Å; N251-R255 PolarHBondContact O-NE 3.29Å; K252-R255 PolarHBondContact O-N 3.36Å; L253-R255 PolarHBondContact O-N 2.92Å; R255-I257 VanDerWaalsContact C-N 3.34Å; R255-I257 PolarHBondContact O-N 3.15Å; R255-T258 PolarHBondContact O-N 3.19Å; R255-Q259 WeakPolarHBondContact O-CB 3.4Å; R255-Q259 PolarHBondContact O-N 3.07Å
256Q97.5Very high96.3Very high95 Ų95104.6 Ų104.644%0.44450%0.501SS..Hα-helixtrans-62.7-38177.2-70.9179-18.900112.9K252 L253 K260K252-Q256 WeakPolarHBondContact O-CG 3.31Å; K252-Q256 PolarHBondContact O-N 3.23Å; K252-Q256 VanDerWaalsContact O-N 3.08Å; L253-Q256 PolarHBondContact O-N 2.98Å; Q256-K260 PolarHBondContact O-N 2.96Å
257I97.4Very high95.9Very high97 Ų97107 Ų10750%0.49751%0.505SS..Hα-helixtrans-66.2-43.8175.5-69164.8000110.9L253 R254 R255 K261L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 2.88Å; R254-I257 PolarHBondContact O-N 2.86Å; R255-I257 VanDerWaalsContact C-N 3.34Å; R255-I257 PolarHBondContact O-N 3.15Å; I257-K261 HydrophobicContact CG2-CD 4.23Å; I257-K261 WeakPolarHBondContact O-CB 3.32Å; I257-K261 WeakPolarHBondContact O-CG 3.47Å; I257-K261 PolarHBondContact O-N 3.31Å
258T97.3Very high95.6Very high76 Ų76108.1 Ų108.147%0.46651%0.505SS..Hα-helixtrans-63.8-44.7176.5-60.40000111.6R254 R255 K261 N262R254-T258 PolarHBondContact O-N 3.11Å; R254-T258 PolarHBondContact O-OG1 3.35Å; R255-T258 PolarHBondContact O-N 3.19Å; T258-K261 PolarHBondContact O-N 3.44Å; T258-N262 VanDerWaalsContact O-CG 3.27Å; T258-N262 PolarHBondContact O-N 3.5Å; T258-N262 PolarHBondContact O-OD1 3.29Å
259Q96.6Very high95.2Very high111 Ų111112.8 Ų112.852%0.51951%0.511SS..Hα-helixtrans-55.9-54.7175.8176.1175.6-5.600111.3R255 K261 N262 E263R255-Q259 WeakPolarHBondContact O-CB 3.4Å; R255-Q259 PolarHBondContact O-N 3.07Å; Q259-K261 VanDerWaalsContact C-N 3.27Å; Q259-K261 PolarHBondContact O-N 3.26Å; Q259-N262 PolarHBondContact O-N 2.91Å; Q259-E263 HydrophobicContact CG-CG 4.31Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 3.28Å; Q259-E263 WeakPolarHBondContact O-CG 3.32Å; Q259-E263 PolarHBondContact O-N 3.22Å
260K96.1Very high94.8Very high150 Ų150112.4 Ų112.465%0.65251%0.512SS*.Hα-helixtrans-64-28.6-179.3-72.1-173.7174.4-171.80114.1Q256 E263 K264Q256-K260 PolarHBondContact O-N 2.96Å; K260-E263 WeakPolarHBondContact CA-OE2 3.35Å; K260-K264 WeakPolarHBondContact O-CB 3.47Å; K260-K264 PolarHBondContact O-N 3.44Å; K260-K264 VanDerWaalsContact O-N 3.15Å
261K95.9Very high94.2Very high143 Ų143115.2 Ų115.262%0.62252%0.521SS*.Hα-helixtrans-68.3-43.6171.1-78.4178.2176-173.60111.5I257 T258 Q259 E265I257-K261 HydrophobicContact CG2-CD 4.23Å; I257-K261 WeakPolarHBondContact O-CB 3.32Å; I257-K261 WeakPolarHBondContact O-CG 3.47Å; I257-K261 PolarHBondContact O-N 3.31Å; T258-K261 PolarHBondContact O-N 3.44Å; Q259-K261 VanDerWaalsContact C-N 3.27Å; Q259-K261 PolarHBondContact O-N 3.26Å; K261-E265 WeakPolarHBondContact O-CB 3.42Å; K261-E265 PolarHBondContact O-N 3.08Å
262N95.3Very high93.6Very high96 Ų96117.3 Ų117.351%0.51353%0.529SS..Hα-helixtrans-68.2-43.2179.7-67.7-0.5000111.6T258 Q259 E265 Q266T258-N262 VanDerWaalsContact O-CG 3.27Å; T258-N262 PolarHBondContact O-N 3.5Å; T258-N262 PolarHBondContact O-OD1 3.29Å; Q259-N262 PolarHBondContact O-N 2.91Å; N262-E265 PolarHBondContact O-N 3.38Å; N262-Q266 WeakPolarHBondContact O-CB 3.36Å; N262-Q266 WeakPolarHBondContact O-CG 3.25Å; N262-Q266 PolarHBondContact O-N 3.15Å
263E94.8Very high92.8Very high78 Ų78114.1 Ų114.136%0.36453%0.525SS..Hα-helixtrans-56.4-52.3173.6-71164.4167.900110.7Q259 K260 E265 Q266 E267Q259-E263 HydrophobicContact CG-CG 4.31Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 3.28Å; Q259-E263 WeakPolarHBondContact O-CG 3.32Å; Q259-E263 PolarHBondContact O-N 3.22Å; K260-E263 WeakPolarHBondContact CA-OE2 3.35Å; E263-E265 VanDerWaalsContact C-N 3.34Å; E263-E265 PolarHBondContact O-N 2.98Å; E263-Q266 WeakPolarHBondContact O-CB 3.47Å; E263-Q266 PolarHBondContact O-N 3.07Å; E263-Q266 VanDerWaalsContact O-N 3.14Å; E263-E267 WeakPolarHBondContact O-CG 3.47Å; E263-E267 PolarHBondContact O-N 3.01Å
264K94.3Very high92.1Very high153 Ų153114.6 Ų114.667%0.66553%0.528SS*.Hα-helixtrans-63.8-34.2178.8-174.4170.7-178173.70113.7K260 R268K260-K264 WeakPolarHBondContact O-CB 3.47Å; K260-K264 PolarHBondContact O-N 3.44Å; K260-K264 VanDerWaalsContact O-N 3.15Å; K264-R268 WeakPolarHBondContact O-CB 3.31Å; K264-R268 PolarHBondContact O-N 3.2Å
265E92.4Very high91.2Very high59 Ų59112.8 Ų112.828%0.27653%0.529SS..Hα-helixtrans-72.4-34.4174.6173.659.8-171.400111.8K261 N262 E263 R268 R269K261-E265 WeakPolarHBondContact O-CB 3.42Å; K261-E265 PolarHBondContact O-N 3.08Å; N262-E265 PolarHBondContact O-N 3.38Å; E263-E265 VanDerWaalsContact C-N 3.34Å; E263-E265 PolarHBondContact O-N 2.98Å; E265-R268 VanDerWaalsContact CD-NH2 3.33Å; E265-R268 PolarHBondContact O-N 3.06Å; E265-R268 IonicContact OE1-CZ 2.71Å; E265-R268 IonicContact OE1-NE 3.76Å; E265-R268 IonicContact OE1-NH2 2.94Å; E265-R268 PolarHBondContact OE1-NH2 3.39Å; E265-R268 IonicContact OE2-CZ 2.84Å; E265-R268 IonicContact OE2-NE 3.6Å; E265-R268 PolarHBondContact OE2-NE 2.9Å; E265-R268 IonicContact OE2-NH2 2.8Å; E265-R268 PolarHBondContact OE2-NH2 3.29Å; E265-R268 VanDerWaalsContact OE2-NH2 3.11Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 VanDerWaalsContact O-CG 3.25Å; E265-R269 WeakPolarHBondContact O-CG 3.19Å; E265-R269 PolarHBondContact O-N 3.26Å; E265-R269 IonicContact OE1-CZ 3.26Å; E265-R269 VanDerWaalsContact OE1-CZ 3.26Å; E265-R269 IonicContact OE1-NE 2.68Å; E265-R269 PolarHBondContact OE1-NE 2.87Å; E265-R269 IonicContact OE1-NH2 2.65Å; E265-R269 PolarHBondContact OE1-NH2 3.14Å
266Q89.3Confident90Very high133 Ų133108.3 Ų108.362%0.62153%0.525SS*.Hα-helixtrans-67.3-44.3171.2-75.4178.8-11.500111.6N262 E263 R268 R269 L270N262-Q266 WeakPolarHBondContact O-CB 3.36Å; N262-Q266 WeakPolarHBondContact O-CG 3.25Å; N262-Q266 PolarHBondContact O-N 3.15Å; E263-Q266 WeakPolarHBondContact O-CB 3.47Å; E263-Q266 PolarHBondContact O-N 3.07Å; E263-Q266 VanDerWaalsContact O-N 3.14Å; Q266-R268 VanDerWaalsContact C-N 3.34Å; Q266-R268 PolarHBondContact O-N 2.99Å; Q266-R269 PolarHBondContact O-N 3.32Å; Q266-L270 VanDerWaalsContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CB 3.36Å; Q266-L270 PolarHBondContact O-N 3.49Å
267E90.5Very high88.6Confident118 Ų118113.9 Ų113.955%0.55154%0.543SS*.Hα-helixtrans-56.6-47.3171.8-72.9178.6160.800111.3E263 R269 L270 Q271E263-E267 WeakPolarHBondContact O-CG 3.47Å; E263-E267 PolarHBondContact O-N 3.01Å; E267-R269 PolarHBondContact O-N 2.75Å; E267-L270 PolarHBondContact O-N 2.97Å; E267-Q271 WeakPolarHBondContact O-CB 3.46Å; E267-Q271 VanDerWaalsContact O-CG 3.31Å; E267-Q271 WeakPolarHBondContact O-CG 3.3Å; E267-Q271 PolarHBondContact O-N 3.35Å
268R90.3Very high86.8Confident114 Ų114116.4 Ų116.443%0.4355%0.552SS.*Hα-helixtrans-59.9-44.2177.5-167.4-168.167.170.13.1111.8K264 E265 Q266 Q272K264-R268 WeakPolarHBondContact O-CB 3.31Å; K264-R268 PolarHBondContact O-N 3.2Å; E265-R268 VanDerWaalsContact CD-NH2 3.33Å; E265-R268 PolarHBondContact O-N 3.06Å; E265-R268 IonicContact OE1-CZ 2.71Å; E265-R268 IonicContact OE1-NE 3.76Å; E265-R268 IonicContact OE1-NH2 2.94Å; E265-R268 PolarHBondContact OE1-NH2 3.39Å; E265-R268 IonicContact OE2-CZ 2.84Å; E265-R268 IonicContact OE2-NE 3.6Å; E265-R268 PolarHBondContact OE2-NE 2.9Å; E265-R268 IonicContact OE2-NH2 2.8Å; E265-R268 PolarHBondContact OE2-NH2 3.29Å; E265-R268 VanDerWaalsContact OE2-NH2 3.11Å; Q266-R268 VanDerWaalsContact C-N 3.34Å; Q266-R268 PolarHBondContact O-N 2.99Å; R268-Q272 VanDerWaalsContact O-CB 3.3Å; R268-Q272 WeakPolarHBondContact O-CB 3.37Å; R268-Q272 PolarHBondContact O-N 2.97Å
269R89.4Confident84.3Confident155 Ų155119.8 Ų119.859%0.58557%0.565SS**Hα-helixtrans-64.5-41175.8-73.7172.6-169.3-159.13.1112.1E265 Q266 E267 Q272 A273E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 VanDerWaalsContact O-CG 3.25Å; E265-R269 WeakPolarHBondContact O-CG 3.19Å; E265-R269 PolarHBondContact O-N 3.26Å; E265-R269 IonicContact OE1-CZ 3.26Å; E265-R269 VanDerWaalsContact OE1-CZ 3.26Å; E265-R269 IonicContact OE1-NE 2.68Å; E265-R269 PolarHBondContact OE1-NE 2.87Å; E265-R269 IonicContact OE1-NH2 2.65Å; E265-R269 PolarHBondContact OE1-NH2 3.14Å; Q266-R269 PolarHBondContact O-N 3.32Å; E267-R269 PolarHBondContact O-N 2.75Å; R269-Q272 PolarHBondContact O-N 2.85Å; R269-A273 WeakPolarHBondContact O-CB 3.43Å; R269-A273 PolarHBondContact O-N 3.11Å
270L88.5Confident82Confident111 Ų111119.6 Ų119.658%0.58157%0.573SS**Hα-helixtrans-71.9-38.5-178.6-168.3144.9000111.6Q266 E267 A273 L274Q266-L270 VanDerWaalsContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CB 3.36Å; Q266-L270 PolarHBondContact O-N 3.49Å; E267-L270 PolarHBondContact O-N 2.97Å; L270-A273 PolarHBondContact O-N 2.88Å; L270-L274 HydrophobicContact CD2-CD1 3.68Å; L270-L274 HydrophobicContact CD2-CG 4.24Å; L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.03Å
271Q85.1Confident79.8Confident119 Ų119118.4 Ų118.456%0.55658%0.583SS**Hα-helixtrans-61.2-45.2168.6-71.91737.700111.4E267 A273 L274 L275E267-Q271 WeakPolarHBondContact O-CB 3.46Å; E267-Q271 VanDerWaalsContact O-CG 3.31Å; E267-Q271 WeakPolarHBondContact O-CG 3.3Å; E267-Q271 PolarHBondContact O-N 3.35Å; Q271-A273 VanDerWaalsContact C-N 3.3Å; Q271-A273 PolarHBondContact O-N 3.32Å; Q271-L274 PolarHBondContact O-N 3.36Å; Q271-L275 WeakPolarHBondContact O-CG 3.36Å; Q271-L275 PolarHBondContact O-N 2.87Å
272Q83.8Confident77.1Confident113 Ų113120.3 Ų120.353%0.52859%0.594SS.*Hα-helixtrans-62.3-36.2176.9-169.2169.35.300112.3R268 R269 S276R268-Q272 VanDerWaalsContact O-CB 3.3Å; R268-Q272 WeakPolarHBondContact O-CB 3.37Å; R268-Q272 PolarHBondContact O-N 2.97Å; R269-Q272 PolarHBondContact O-N 2.85Å; Q272-S276 PolarHBondContact O-N 2.8Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.48Å
273A82.8Confident74.6Confident55 Ų55120.7 Ų120.746%0.45561%0.605SS.*Hα-helixtrans-76-27.8175.400000114.2R269 L270 Q271 S276 R277R269-A273 WeakPolarHBondContact O-CB 3.43Å; R269-A273 PolarHBondContact O-N 3.11Å; L270-A273 PolarHBondContact O-N 2.88Å; Q271-A273 VanDerWaalsContact C-N 3.3Å; Q271-A273 PolarHBondContact O-N 3.32Å; A273-S276 PolarHBondContact O-OG 3.41Å; A273-R277 WeakPolarHBondContact O-CB 3.36Å; A273-R277 PolarHBondContact O-N 3.34Å
274L83.4Confident72.3Confident93 Ų93124.4 Ų124.449%0.48763%0.626SS.*Hα-helixtrans-73.5-41.6171.8-75.3172.6000111.3L270 Q271 R277 Q278L270-L274 HydrophobicContact CD2-CD1 3.68Å; L270-L274 HydrophobicContact CD2-CG 4.24Å; L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.03Å; Q271-L274 PolarHBondContact O-N 3.36Å; L274-R277 PolarHBondContact O-N 2.77Å; L274-Q278 PolarHBondContact O-N 2.98Å
275L78.6Confident69.3Low121 Ų121125.4 Ų125.463%0.63463%0.633SS**Hα-helixtrans-62.7-44.4176.5-72.6167.8000111.9Q271 R277 Q278Q271-L275 WeakPolarHBondContact O-CG 3.36Å; Q271-L275 PolarHBondContact O-N 2.87Å; L275-R277 PolarHBondContact O-N 2.75Å; L275-Q278 PolarHBondContact O-N 2.88Å
276S71.9Confident67.3Low84 Ų84127 Ų12759%0.58765%0.649SS**Hα-helixtrans-66.7-23.8175.960.70000113.5Q272 A273Q272-S276 PolarHBondContact O-N 2.8Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.48Å; A273-S276 PolarHBondContact O-OG 3.41Å
277R67.1Low64.7Low213 Ų213125.7 Ų125.780%0.80466%0.66SS**Hα-helixtrans-83.1-11.3175.5-170.1172.8177.8-169.2-0.9114A273 L274 L275A273-R277 WeakPolarHBondContact O-CB 3.36Å; A273-R277 PolarHBondContact O-N 3.34Å; L274-R277 PolarHBondContact O-N 2.77Å; L275-R277 PolarHBondContact O-N 2.75Å
278Q58.8Low62.2Low150 Ų150129.3 Ų129.370%0.70168%0.675SS**THydrogen-bonded Turntrans-91.6-3.6177.6-77.6-175.7-1900114.2L274 L275 P280L274-Q278 PolarHBondContact O-N 2.98Å; L275-Q278 PolarHBondContact O-N 2.88Å; Q278-P280 WeakPolarHBondContact O-CD 3.34Å
279M46.4Very low59.5Low147 Ų147129.5 Ų129.572%0.72469%0.693SS**SBendtrans-72.6120.9170.3-66.9-60.5-62.700110.4
280P46.7Very low57.4Low106 Ų106127.6 Ų127.669%0.68870%0.701SS**  trans-68.3136.9177.2-19.933.7000112.1Q278 E282Q278-P280 WeakPolarHBondContact O-CD 3.34Å; P280-E282 PolarHBondContact O-N 3.45Å; P280-E282 VanDerWaalsContact O-N 3.15Å
281S50.8Low54.8Low125 Ų125133 Ų13387%0.87471%0.714SS**  trans-81.978.9168.6172.70000110
282E38.7Very low52.3Low183 Ų183135.7 Ų135.786%0.85573%0.729SS**  trans-73.9156163.6-68.3-160.6142.600111.4P280P280-E282 PolarHBondContact O-N 3.45Å; P280-E282 VanDerWaalsContact O-N 3.15Å
283S42.8Very low50.1Low105 Ų105133.9 Ų133.973%0.73473%0.728SS**  trans-92.6142.3-152.5173.70000115.1
284L47.6Very low47.7Very low156 Ų156142 Ų14282%0.81775%0.749SS**  trans-1.3129.4149.9-68.2158.6000118.3
285E31.1Very low45.3Very low174 Ų174142.8 Ų142.881%0.81376%0.762SS**  trans-151.8128.3137.6-107.2-56.9119.500109.6A287E285-A287 PolarHBondContact O-N 3.27Å
286P49.8Very low43.1Very low93 Ų93139.9 Ų139.960%0.60476%0.761SS**  trans-92.188.7-174.834.7-33.6000113.1F288P286-F288 PolarHBondContact O-N 3.24Å
287A34.3Very low41.2Very low104 Ų104145.6 Ų145.686%0.8678%0.776SS**  trans-68.5114.117800000113.1E285E285-A287 PolarHBondContact O-N 3.27Å
288F39Very low39.6Very low195 Ų195140.8 Ų140.886%0.85578%0.775SS**  trans-65.2148.5174-77.6-109.1000112.5P286P286-F288 PolarHBondContact O-N 3.24Å
289S32.9Very low38.5Very low117 Ų117137.4 Ų137.482%0.81877%0.773SS**  trans-150150.7156-84.50000111.2
290P45.3Very low37.8Very low116 Ų116140 Ų14075%0.75378%0.783SS**  trans-94.5150.1-144.734.4-36.7000116
291R32.8Very low37Very low225 Ų225138.1 Ų138.185%0.84978%0.783SS**  trans-79.8127.3168.1-175.1-174.4-170.1172.96.5110.1
292M33.3Very low36Very low175 Ų175144 Ų14486%0.86279%0.786SS**  trans-112.7141.4163.5-82.2-68.9156.100109.8
293S38.4Very low35.6Very low74 Ų74139.9 Ų139.952%0.51778%0.778SS.*  trans-147.2121.3-172.4-53.30000111.2
294Y31.3Very low35Very low225 Ų225141.1 Ų141.188%0.88278%0.781SS**  trans-162108.9160-90.8-64.2000106.7
295S34.4Very low34.2Very low110 Ų110141.2 Ų141.277%0.76978%0.781SS**  73.8132.893.772.10000114.5
296G31.3Very low34.1Very low60 Ų60137.1 Ų137.162%0.61978%0.777SS**  cis173.5-164.21.700000112.2
297F32.8Very low33.2Very low204 Ų204141.2 Ų141.290%0.89579%0.788SS**  trans71127.2-175-61.8-90.6000114.3
298S33.1Very low33Very low112 Ų112142.9 Ų142.978%0.78379%0.788SS**  cis93.4136.641.4-66.90000112
299A34.8Very low32.9Very low79 Ų79141.9 Ų141.965%0.65379%0.786SS**  cis-151.1165.37.700000113.7
300E32.5Very low33Very low201 Ų201142.5 Ų142.594%0.93979%0.787SS**  trans54.4136.7145.7-70.5163.5-170.800122.1
301G30.5Very low32.6Very low67 Ų67142.7 Ų142.769%0.69179%0.791SS**  cis166.4157.1-7.800000114.9
302R30.2Very low33.1Very low250 Ų250139.4 Ų139.494%0.94379%0.791SS**  trans62.1145.1179.9-70.1178.5160.5173.5-6.2115.5
303S29Very low33.6Very low96 Ų96136.3 Ų136.367%0.67178%0.784SS**  cis-168.9170.6-12.4-910000106.9
304T31Very low33.9Very low130 Ų130138.5 Ų138.580%0.79880%0.796SS**  cis-151.3-167.716.8-20.80000112.1
305L30.8Very low34.6Very low158 Ų158133.1 Ų133.183%0.82779%0.788SS**  trans-45.5140.7172.8-72.3152.5000118.7
306A29.1Very low34.8Very low89 Ų89133.7 Ų133.774%0.73679%0.79SS**  trans63.8144.414200000119.5
307E30Very low34.9Very low178 Ų178141.5 Ų141.583%0.83280%0.802SS**  cis-160.9166-6.5-130.9174.8175.800110.6
308T31.2Very low35Very low139 Ų139137 Ų13785%0.85380%0.796SS**  trans78.8147168.8-38.50000117.8
309E37.1Very low34.8Very low175 Ų175138.9 Ų138.982%0.81880%0.797SS**PPolyproline II helixtrans-93.2161.4-169.8-68.9-170.6129.400115.1
310P34.4Very low34.6Very low129 Ų129144.5 Ų144.584%0.83881%0.807SS**PPolyproline II helixtrans-76.2137.1169.932-35.1000112.7
311S36.3Very low34.5Very low121 Ų121143.4 Ų143.485%0.84680%0.802SS**PPolyproline II helixtrans-85.2132.2-179.9-50.50000113.8
312D43.2Very low34.7Very low156 Ų156145.5 Ų145.583%0.83480%0.804SS**PPolyproline II helixtrans-69.7155.7167.3-90.9-43.8000113
313P45.4Very low34.5Very low110 Ų110140.4 Ų140.471%0.71480%0.795SS**PPolyproline II helixtrans-75.6146-17830.6-35.4000113.4
314P43.7Very low34.5Very low119 Ų119142.9 Ų142.977%0.77380%0.801SS**PPolyproline II helixtrans-77.3149.6-173.730.6-35.9000114.2
315P46.8Very low34.4Very low112 Ų112144.5 Ų144.573%0.72780%0.799SS**PPolyproline II helixtrans-72.9162.6175.731.3-35.9000113.1
316P37.1Very low34.3Very low123 Ų123145.9 Ų145.980%0.79980%0.801SS**PPolyproline II helixtrans-70.4140.9-175.228.4-35.7000113.5S318P316-S318 PolarHBondContact O-N 2.85Å
317Y34.2Very low34.3Very low223 Ų223146.8 Ų146.888%0.87580%0.802SS**PPolyproline II helixtrans-59.8126.4177.4-88.4-98.9000112.8
318S34.2Very low34.3Very low111 Ų111144.1 Ų144.178%0.77680%0.799SS**  trans-160.484.5161.4-78.20000110.3P316P316-S318 PolarHBondContact O-N 2.85Å
319D30.1Very low34.2Very low150 Ų150144.1 Ų144.180%0.80279%0.793SS**  trans-164.4119.1153.1-101.6-31.7000110.4
320F30.2Very low33.6Very low197 Ų197141.5 Ų141.586%0.86479%0.794SS**  trans-138.6110.4166.3-92.4-73.8000108.3
321H30.1Very low33.6Very low178 Ų178144 Ų14482%0.82479%0.793SS**  trans-66.2127.5174.3-99.6-97.3000110.7N323H321-N323 PolarHBondContact O-N 3.46Å
322P34.4Very low33.1Very low112 Ų112143.2 Ų143.273%0.72779%0.788SS**  trans-73.3115.2165.629.9-31.2000109N324P322-N324 PolarHBondContact O-N 2.84Å
323N27.3Very low32.8Very low142 Ų142146.4 Ų146.476%0.75979%0.789SS**  trans-81.8115.6175.6-165.912.1000109.9H321 Q325H321-N323 PolarHBondContact O-N 3.46Å; N323-Q325 PolarHBondContact O-N 2.96Å
324N27.9Very low31.9Very low149 Ų149149.2 Ų149.280%0.79779%0.794SS**  trans-77.6116176.6-77.8-20.6000110.2P322P322-N324 PolarHBondContact O-N 2.84Å
325Q30Very low31.3Very low164 Ų164150.9 Ų150.977%0.76679%0.792SS**  trans-124.395.8155.3-71.5-162.31100109.7N323N323-Q325 PolarHBondContact O-N 2.96Å
326E28.1Very low30.8Very low186 Ų186156.5 Ų156.587%0.86980%0.798SS**  trans-79.6113.9167.8-174.7164.6-151.900107.7
327S28.8Very low30.7Very low108 Ų108154.9 Ų154.976%0.75579%0.79SS**  trans-115.3124.4177.7-76.40000110.3
328T29.7Very low30.9Very low123 Ų123148.1 Ų148.176%0.75577%0.772SS**  trans-86.5129.1-164.8510000113.7
329L29.3Very low31.1Very low139 Ų139151.5 Ų151.573%0.72877%0.773SS**  trans48.3111.6141.3-64168.5000118.9
330S24.4Very low31.6Very low120 Ų120148.7 Ų148.784%0.83976%0.756SS**  -135.9115.5125.5570000110.3
331H35Very low32Very low180 Ų180144.8 Ų144.883%0.83375%0.751SS**  trans-88.1105.8177.2-87-63.6000110.5
332S24.6Very low32.7Very low106 Ų106145.7 Ų145.774%0.74175%0.747SS**  trans-96.3100.5158.348.60000109.4M334S332-M334 PolarHBondContact O-N 3.23Å
333R36.7Very low32.9Very low223 Ų223144.8 Ų144.884%0.84274%0.741SS**  trans-73.580.6172.6-177.9-176.4164.9176.6-5.6109.2
334M27Very low33.5Very low168 Ų168145.8 Ų145.883%0.82874%0.741SS**  trans-92.6121.5176.5-158171.4-168.900109.8S332 R336S332-M334 PolarHBondContact O-N 3.23Å; M334-R336 PolarHBondContact O-N 3.39Å
335E31.1Very low33.8Very low154 Ų154142.7 Ų142.772%0.7274%0.736SS**  trans-73.897.3-178.4-63.7-170.814500110.4S337E335-S337 VanDerWaalsContact C-N 3.26Å; E335-S337 PolarHBondContact O-N 3.27Å
336R36.9Very low34.2Very low230 Ų230142.1 Ų142.187%0.86874%0.744SS**  trans-73.380.7168.8-88.4-173170.4174.9-1.8110.5M334 V338M334-R336 PolarHBondContact O-N 3.39Å; R336-V338 PolarHBondContact O-N 3.2Å
337S35Very low34.6Very low89 Ų89136.9 Ų136.962%0.62274%0.739SS**  trans-67.6111.2150.151.30000107.8E335 F339E335-S337 VanDerWaalsContact C-N 3.26Å; E335-S337 PolarHBondContact O-N 3.27Å; S337-F339 PolarHBondContact O-N 3.34Å
338V37.9Very low34.6Very low81 Ų81135.5 Ų135.549%0.49173%0.73SS.*  trans-7972.3177.3-1740000109Q230 R336 M340Q230-V338 PolarHBondContact NE2-O 3.16Å; R336-V338 PolarHBondContact O-N 3.2Å; V338-M340 PolarHBondContact O-N 2.9Å
339F38.4Very low34.6Very low182 Ų182134.6 Ų134.680%0.79873%0.728SS**  trans-73.1110.3164.1-94.8-82.4000108.8S337S337-F339 PolarHBondContact O-N 3.34Å
340M40.5Very low34.7Very low92 Ų92133.2 Ų133.245%0.45373%0.73SS.*PPolyproline II helixtrans-59.5129164.2-71.2-67.5-179.100108.7V338 R342V338-M340 PolarHBondContact O-N 2.9Å; M340-R342 PolarHBondContact O-N 3.19Å
341P38.8Very low35Very low115 Ų115137.9 Ų137.975%0.74773%0.731SS**PPolyproline II helixtrans-63.1123.6176.525.9-33000109.2P343P341-P343 WeakPolarHBondContact O-CD 3.36Å
342R43.8Very low34.7Very low196 Ų196133.8 Ų133.874%0.7473%0.728SS**PPolyproline II helixtrans-66.7122.6177.4-156.8178-160.8169.64108.2M340 Q344M340-R342 PolarHBondContact O-N 3.19Å; R342-Q344 PolarHBondContact O-N 3.2Å; R342-Q344 VanDerWaalsContact O-N 3.14Å
343P38.8Very low34.8Very low93 Ų93134.4 Ų134.460%0.60473%0.732SS**PPolyproline II helixtrans-59.3120.3177-23.734.2000110.1P341P341-P343 WeakPolarHBondContact O-CD 3.36Å
344Q41Very low34.4Very low163 Ų163130.4 Ų130.476%0.76273%0.733SS**PPolyproline II helixtrans-72.8139.7165.8-73.7-176.7-73.500108.6R342 V346R342-Q344 PolarHBondContact O-N 3.2Å; R342-Q344 VanDerWaalsContact O-N 3.14Å; Q344-V346 PolarHBondContact O-N 3.32Å
345A34.1Very low34.4Very low85 Ų85128.1 Ų128.170%0.70273%0.733SS**PPolyproline II helixtrans-63.4129.9171.400000109.6G347A345-G347 PolarHBondContact O-N 3.2Å
346V37.4Very low34.3Very low152 Ų152124.9 Ų124.992%0.92174%0.741SS**THydrogen-bonded Turntrans-68.6106.4178.3-173.70000108.2Q344Q344-V346 PolarHBondContact O-N 3.32Å
347G36.5Very low33.7Very low75 Ų75117.7 Ų117.777%0.77374%0.739SS**THydrogen-bonded Turntrans154.2-15.4-177.700000115.9A345 S349A345-G347 PolarHBondContact O-N 3.2Å; G347-S349 PolarHBondContact O-N 3.34Å; G347-S349 VanDerWaalsContact O-N 3.17Å
348S30.1Very low33.5Very low80 Ų80121.8 Ų121.856%0.55975%0.753SS**  trans-74105.4175.759.40000111.7S350S348-S350 PolarHBondContact O-N 3.15Å
349S29.9Very low32.9Very low103 Ų103128 Ų12872%0.7277%0.774SS**  trans-60.2121.5175.6-177.50000111.7G347G347-S349 PolarHBondContact O-N 3.34Å; G347-S349 VanDerWaalsContact O-N 3.17Å
350S30Very low32.3Very low110 Ų110128.5 Ų128.577%0.76978%0.776SS**  trans-98.491.5178.959.20000111.3S348 A352S348-S350 PolarHBondContact O-N 3.15Å; S350-A352 PolarHBondContact O-N 3.36Å; S350-A352 VanDerWaalsContact O-N 3.09Å
351Y30.6Very low31.6Very low219 Ų219130.7 Ų130.786%0.85980%0.795SS**  trans-66.4105.7164.7-88.5-84.6000109.7S353Y351-S353 PolarHBondContact O-N 3.23Å
352A29.3Very low30.9Very low94 Ų94129 Ų12978%0.77780%0.798SS**  trans-80.8107.5175.300000110.5S350S350-A352 PolarHBondContact O-N 3.36Å; S350-A352 VanDerWaalsContact O-N 3.09Å
353S26.7Very low30Very low118 Ų118126.1 Ų126.183%0.82581%0.808SS**  trans-104114.4166.9-70.90000110.4Y351Y351-S353 PolarHBondContact O-N 3.23Å
354T27.8Very low29.4Very low139 Ų139124.9 Ų124.985%0.85381%0.812SS**  trans-92.2108-179.2510000112.1
355S28.6Very low28.8Very low120 Ų120121.3 Ų121.384%0.83981%0.81SS**  trans-152.2129.3153.954.40000110.6
356G28.8Very low28.4Very low86 Ų86124.3 Ų124.389%0.88781%0.814SS**  trans-95.7139.5174.900000111
357G24.8Very low28Very low80 Ų80125 Ų12583%0.82581%0.812SS**  trans-17595.4178.600000113.5
358L29.1Very low27.5Very low175 Ų175129 Ų12992%0.91682%0.815SS**  trans-69.9128.1171.2-73.8163.7000111
359K26.7Very low28.2Very low212 Ų212130.1 Ų130.192%0.92282%0.82SS**  trans-165.5174.9145.2-108.5154.4-169.8178.70113
360F24.2Very low28.1Very low191 Ų191130 Ų13084%0.83882%0.82SS**  trans-109.9169.3-155.3-110.3-102.6000114
361T26.7Very low28Very low139 Ų139134 Ų13485%0.85383%0.826SS**  trans62.6139157.649.70000120.5
362G24.6Very low27.8Very low78 Ų78129 Ų12980%0.80482%0.823SS**  trans157.199.615300000116.2
363S25Very low27.7Very low137 Ų137129.6 Ų129.696%0.95883%0.828SS**  trans-66.4157.6175.7-169.50000114.9
364G25.2Very low27.8Very low67 Ų67129.2 Ų129.269%0.69183%0.832SS**  trans116.4143.7168.700000113.3
365A28Very low27.8Very low87 Ų87126.4 Ų126.472%0.71983%0.831SS**  cis151.7142.1-14.400000106.5
366D27Very low27.9Very low148 Ų148128.4 Ų128.479%0.79183%0.832SS**  trans72.7115.7157.2-63.6-18.5000123.4
367L29Very low28Very low167 Ų167129.8 Ų129.887%0.87483%0.828SS**  trans94.9149.4130.4-68.2169.2000123
368L25.1Very low28.2Very low160 Ų160129 Ų12984%0.83882%0.82SS**  trans-114.9-175.1-172.9-74.8164.8000108.6
369P45.2Very low28.4Very low103 Ų103129.8 Ų129.867%0.66982%0.819SS**  cis-134.5-175.6-47.435.8-18.7000112.7
370S27.3Very low28.7Very low101 Ų101128.9 Ų128.971%0.70682%0.818SS**  trans58.7133.9145.267.20000121.5
371Q28.3Very low29.1Very low194 Ų194125.6 Ų125.691%0.90782%0.819SS**  -165.2161.2112.1-108.8176.728.800112.6
372S26.3Very low29.5Very low114 Ų114126 Ų12680%0.79782%0.816SS**  trans-107.6141.8175.154.40000110.7
373A26.8Very low29.9Very low105 Ų105129.7 Ų129.787%0.86882%0.817SS**  trans-144.1143.5163.300000109.9
374A30Very low30.5Very low110 Ų110127.8 Ų127.891%0.90980%0.804SS**  trans-92.3154.5168.800000110
375G28.1Very low30.8Very low81 Ų81131.8 Ų131.884%0.83581%0.809SS**  trans-144.9134.417200000109.1
376D29.6Very low31Very low162 Ų162138 Ų13887%0.86682%0.815SS**  trans-110.7179.2-174.6-173.421.6000110.4
377S31.2Very low31.3Very low115 Ų115137.3 Ų137.380%0.80481%0.808SS**  trans81.6141-170.974.70000115.8
378G29.6Very low31.5Very low64 Ų64135.1 Ų135.166%0.6680%0.797SS**  cis175.6179.4-4.800000112.7
379E32.8Very low31.9Very low191 Ų191134.9 Ų134.989%0.89380%0.796SS**  trans65.9109.1169.8-61.8166.4-160.300115
380E32.4Very low31.3Very low193 Ų193136.8 Ų136.890%0.90280%0.799SS**  78.8109.664.8-72.9-170-179.200115.3
381S33.4Very low31.7Very low121 Ų121139.5 Ų139.585%0.84681%0.805SS**  trans-168.6123.5147.6-170.70000109.4
382D33.9Very low32.5Very low148 Ų148135.6 Ų135.679%0.79180%0.797SS**  trans-73.8164.6159.1-72.5-57.1000110.2
383D33Very low32.7Very low155 Ų155134.2 Ų134.283%0.82979%0.792SS**  174.5157.4100.7-125.6-32000115.4
384S37.7Very low32.8Very low98 Ų98138.3 Ų138.369%0.68579%0.793SS**  trans67.592.4158.263.30000122.6
385D32.2Very low33.1Very low150 Ų150138.1 Ų138.180%0.80279%0.786SS**  17.5136.4119.7-53-29000121.8
386Y32.1Very low34Very low217 Ų217139.1 Ų139.185%0.85178%0.778SS**  -164127.5104.3-129.1-109.1000116
387E32.9Very low34.1Very low134 Ų134139.9 Ų139.963%0.62678%0.775SS**  trans17.2121.7149.8-72.6-75.6112.800123
388N34.1Very low34.1Very low122 Ų122138.3 Ų138.365%0.65277%0.765SS**  45.3142.2122.5-74-43.1000123.5
389L32Very low34.3Very low155 Ų155141.6 Ų141.681%0.81276%0.763SS**  -177.1117.2109.3-91.8159.4000113.8
390I34.3Very low34.3Very low143 Ų143142.3 Ų142.373%0.73376%0.759SS**  trans71.6105.5146.3-57.9174.7000119.8
391D35.2Very low34.3Very low158 Ų158137.6 Ų137.685%0.84575%0.747SS**  trans-77.3160.1142.3-99.8-41000110.6
392P45.2Very low34.2Very low111 Ų111140.4 Ų140.472%0.72175%0.746SS**  -147.8152.1117.336.9-22000117.8
393A30.3Very low33.9Very low86 Ų86138.8 Ų138.871%0.71175%0.747SS**  trans74.896.4144.300000120.9
394E29.3Very low33.9Very low190 Ų190140.4 Ų140.489%0.88875%0.747SS**  52.2124116.8-62.7-175141.800121.6
395S36.8Very low33.6Very low107 Ų107142.2 Ų142.275%0.74875%0.749SS**  trans-62.3175.7156.961.60000113.1
396P45.1Very low33.5Very low102 Ų102140 Ų14066%0.66274%0.744SS**  -144.8149.4114.134.5-20.2000117.3
397H32.4Very low33.7Very low177 Ų177141.4 Ų141.482%0.81975%0.748SS**  trans66.5153.1146.5-74.8-47.3000119.1
398S32.5Very low34.6Very low83 Ų83140.1 Ų140.158%0.5875%0.752SS**  cis155.6156.2-11.5126.80000104.9
399E32.8Very low34.4Very low133 Ų133139.5 Ų139.562%0.62176%0.757SS**  cis-166.2155.5-9.2-105.1166.2115.800108.6
400Y32.9Very low34.5Very low206 Ų206138.5 Ų138.581%0.80876%0.757SS**  trans63.3156.9147.3-79.8-126.1000119.6
401S32.2Very low34.5Very low94 Ų94140 Ų14066%0.65776%0.761SS**  cis-164168.5-20.354.10000113.5
402H30.9Very low35.2Very low179 Ų179138 Ų13883%0.82976%0.757SS**  trans-34.7141.7176-52.1-68.6000120.7
403S29Very low34.7Very low115 Ų115139.6 Ų139.680%0.80476%0.759SS**  -168.6130110.635.10000109
404K32Very low34.8Very low189 Ų189144.6 Ų144.682%0.82277%0.768SS**  77.912355-98.5-170.6176.4177.10116
405N30.7Very low35Very low136 Ų136142.8 Ų142.873%0.72776%0.764SS**  trans92.489.6150.5-658000121.9
406S30.9Very low35.8Very low102 Ų102141.6 Ų141.671%0.71375%0.754SS**  81.7120.9107710000124.6
407R35.5Very low35.2Very low247 Ų247147.7 Ų147.793%0.93276%0.764SS**  trans83.9160.1135.1-82.3-162.8165.7-177.3-3.9120.8
408P53.5Low35.2Very low108 Ų108146.6 Ų146.670%0.70176%0.764SS**  trans-122176-154.244.5-32.9000116.2
409S30.1Very low35.6Very low108 Ų108148.8 Ų148.876%0.75577%0.774SS**  trans-139.4133.3165.2-65.60000107.4
410T32.5Very low35.9Very low134 Ų134151.5 Ų151.582%0.82279%0.787SS**  cis84.9132.748.664.60000115.6
411H35.3Very low36.2Very low174 Ų174148 Ų14881%0.80679%0.787SS**  trans-58.6159.4175.2-104.7-77.5000113.7
412P50Low36.6Very low117 Ų117149.3 Ų149.376%0.7680%0.796SS**  -135.1-164.881.626.6-5.8000113.3
413D34.4Very low37.1Very low145 Ų145149.7 Ų149.778%0.77580%0.798SS**  -175.9173.8-54.7-155.8-11.3000108
414E31.6Very low37.8Very low190 Ų190156 Ų15689%0.88882%0.82SS**  trans75163.8174.5-61.3-156.9120.100120.2
415D35Very low38.1Very low152 Ų152154.3 Ų154.381%0.81382%0.82SS**  trans-134.1-159.9-147.8-153.724.3000108.4
416P52.3Low38.5Very low83 Ų83155.3 Ų155.354%0.53983%0.825SS.*  cis-137.2-178.4-12.843.7-25.9000116.6
417R33Very low38.9Very low229 Ų229158.2 Ų158.286%0.86483%0.831SS**  trans72.4118.9161.1-55.7167.6-170.61654.1118.4
418N32.4Very low39.1Very low155 Ų155153 Ų15383%0.82983%0.825SS**  -154.8143106.2-139.7-9.2000112.8
419T39.9Very low38.2Very low128 Ų128155.8 Ų155.879%0.78583%0.833SS**  trans-113.6121.5172.645.50000109.9
420Q39.1Very low38.7Very low190 Ų190159 Ų15989%0.88884%0.838SS**  trans-152.7124.8156.1-123168.520.400112.9
421T40.7Very low39.2Very low132 Ų132160.8 Ų160.881%0.8184%0.839SS**  trans-77.1149.1163.133.70000110.2
422S40.3Very low39.5Very low123 Ų123159.8 Ų159.886%0.8684%0.842SS**  trans-153.9142152.8-80.90000109.5
423Q41.5Very low38.6Very low187 Ų187163.3 Ų163.387%0.87485%0.849SS**  trans-98.8150.4173-61.3167.9-6400108.9
424I43.1Very low39Very low246 Ų246165 Ų165100%1.26286%0.856SS**  -162.90126.9-97154.4000107.3

Retrieved 424 of 424 residues in 111.3 ms (Link to these results)

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