A0A096N0E0_PAPAN Loading...

Coiled-coil domain-containing protein 25

AlphaFold DB (Q5R9S1), UniProt , Accession A0A096N0E0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 208 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.8Confident77.9Confident22 Ų2241.6 Ų41.611%0.10824%0.236CC..  0125.40-171174.3115.800109.7F3 K21 E25 F141M1-F3 HydrophobicContact CE-CD1 4.28Å; M1-F3 HydrophobicContact CE-CE1 3.33Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.18Å; M1-K21 HydrophobicContact CB-CB 4.09Å; M1-K21 HydrophobicContact CB-CD 4.1Å; M1-K21 HydrophobicContact CE-CB 4.36Å; M1-K21 HydrophobicContact CE-CD 3.6Å; M1-K21 HydrophobicContact CE-CG 4.04Å; M1-K21 HydrophobicContact CG-CD 4.41Å; M1-K21 WeakPolarHBondContact O-CB 3.39Å; M1-K21 PolarHBondContact O-N 2.85Å; M1-K21 HydrophobicContact SD-CD 3.82Å; M1-E25 PolarHBondContact N-OE1 2.99Å; M1-E25 PolarHBondContact N-OE2 3.43Å; M1-F141 HydrophobicContact CB-CD1 4.06Å; M1-F141 HydrophobicContact CB-CE1 3.54Å; M1-F141 HydrophobicContact CB-CZ 4.02Å; M1-F141 HydrophobicContact CG-CD1 4.38Å; M1-F141 HydrophobicContact CG-CE1 3.75Å; M1-F141 HydrophobicContact CG-CE2 4.28Å; M1-F141 HydrophobicContact CG-CZ 3.68Å; M1-F141 HydrophobicContact SD-CE1 4.17Å; M1-F141 HydrophobicContact SD-CE2 4.48Å; M1-F141 HydrophobicContact SD-CZ 3.71Å
2V86.2Confident76.2Confident1 Ų146.9 Ų46.91%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-123.6130.6-175.3-177.90000108.8Y4 Y18 M19 L29 R140 P142V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.84Å; V2-Y4 HydrophobicContact CG1-CD2 4.07Å; V2-Y4 HydrophobicContact CG1-CE2 3.58Å; V2-Y18 HydrophobicContact CG1-CD2 4.21Å; V2-M19 WeakPolarHBondContact CA-O 3.48Å; V2-L29 HydrophobicContact CG1-CD1 4.49Å; V2-L29 HydrophobicContact CG1-CD2 4.38Å; V2-L29 HydrophobicContact CG2-CD1 4.33Å; V2-L29 HydrophobicContact CG2-CD2 4.08Å; V2-L29 HydrophobicContact CG2-CG 4.47Å; V2-R140 PolarHBondContact N-O 3.12Å; V2-R140 PolarHBondContact O-N 2.98Å; V2-R140 VanDerWaalsContact O-O 3.11Å; V2-P142 HydrophobicContact CB-CG 4Å; V2-P142 HydrophobicContact CG2-CG 3.77Å
3F89.5Confident75.8Confident31 Ų3147.8 Ų47.814%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-90125.1172.5-60.6-71.5000108.9M1 F5 Y18 M19 K21 K137 E139M1-F3 HydrophobicContact CE-CD1 4.28Å; M1-F3 HydrophobicContact CE-CE1 3.33Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.18Å; F3-F5 HydrophobicContact CB-CE2 3.57Å; F3-F5 HydrophobicContact CB-CZ 3.91Å; F3-Y18 CarbonylContact O-C 3.59Å; F3-Y18 WeakPolarHBondContact O-CA 3.07Å; F3-Y18 WeakPolarHBondContact O-CB 3.43Å; F3-M19 HydrophobicContact CB-CG 4Å; F3-M19 HydrophobicContact CD2-CG 4.03Å; F3-M19 PolarHBondContact N-O 3.34Å; F3-M19 PolarHBondContact O-N 3.12Å; F3-K21 HydrophobicContact CE2-CB 3.94Å; F3-K21 HydrophobicContact CE2-CG 4.04Å; F3-K21 HydrophobicContact CZ-CG 4.32Å; F3-K137 HydrophobicContact CD1-CD 4.4Å; F3-K137 HydrophobicContact CD1-CG 4.38Å; F3-K137 VanDerWaalsContact CE1-CE 3.49Å; F3-E139 HydrophobicContact CD1-CB 4.45Å; F3-E139 HydrophobicContact CD1-CG 3.83Å; F3-E139 HydrophobicContact CE1-CG 3.85Å; F3-E139 WeakPolarHBondContact CE1-OE1 3.48Å
4Y90.7Very high76.2Confident34 Ų3448.4 Ų48.413%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-104.1142.9172.9-70.8-97.5000109.5V2 T16 I17 Y18 K137 V138 R140 P142V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.84Å; V2-Y4 HydrophobicContact CG1-CD2 4.07Å; V2-Y4 HydrophobicContact CG1-CE2 3.58Å; Y4-T16 HydrophobicContact CD1-CG2 3.9Å; Y4-T16 HydrophobicContact CE1-CG2 4.44Å; Y4-I17 CarbonylContact C-O 3.45Å; Y4-I17 WeakPolarHBondContact CA-O 3.22Å; Y4-Y18 HydrophobicContact CE1-CD1 4.46Å; Y4-Y18 HydrophobicContact CE1-CG 4.27Å; Y4-K137 CarbonylContact O-C 3.52Å; Y4-K137 VanDerWaalsContact O-CA 3.3Å; Y4-K137 WeakPolarHBondContact O-CA 3.42Å; Y4-V138 PolarHBondContact N-O 2.86Å; Y4-V138 PolarHBondContact O-N 3.27Å; Y4-R140 HydrophobicContact CD2-CB 3.91Å; Y4-R140 HydrophobicContact CD2-CG 4.02Å; Y4-R140 HydrophobicContact CE2-CB 3.81Å; Y4-R140 HydrophobicContact CE2-CG 4.32Å; Y4-P142 HydrophobicContact CE2-CG 4.09Å; Y4-P142 WeakPolarHBondContact OH-CB 3.34Å; Y4-P142 VanDerWaalsContact OH-CG 3.31Å; Y4-P142 WeakPolarHBondContact OH-CG 3.12Å
5F89.8Confident76.9Confident2 Ų245.9 Ų45.91%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-133145176.2-54.4-97000107.8F3 I17 M19 L74 L133 K137F3-F5 HydrophobicContact CB-CE2 3.57Å; F3-F5 HydrophobicContact CB-CZ 3.91Å; F5-I17 HydrophobicContact CB-CB 4.14Å; F5-I17 HydrophobicContact CD2-CG2 4.47Å; F5-I17 PolarHBondContact N-O 3.3Å; F5-I17 PolarHBondContact O-N 3.01Å; F5-I17 VanDerWaalsContact O-O 3.11Å; F5-M19 HydrophobicContact CD2-CE 4.27Å; F5-M19 HydrophobicContact CE2-CE 3.26Å; F5-M19 HydrophobicContact CE2-CG 4.16Å; F5-M19 HydrophobicContact CZ-CE 3.42Å; F5-M19 VanDerWaalsContact CZ-CE 3.42Å; F5-L74 HydrophobicContact CD2-CD2 3.96Å; F5-L74 HydrophobicContact CE1-CD1 4.37Å; F5-L74 HydrophobicContact CE2-CD2 4.11Å; F5-L74 HydrophobicContact CG-CD2 4.3Å; F5-L74 HydrophobicContact CZ-CD1 4.36Å; F5-L133 HydrophobicContact CD1-CB 4.23Å; F5-L133 WeakPolarHBondContact CD1-O 3Å; F5-K137 HydrophobicContact CD1-CB 3.92Å; F5-K137 HydrophobicContact CD1-CG 4.3Å; F5-K137 HydrophobicContact CE1-CB 3.61Å; F5-K137 HydrophobicContact CE1-CD 3.85Å; F5-K137 HydrophobicContact CE1-CG 3.63Å; F5-K137 HydrophobicContact CZ-CB 4.37Å; F5-K137 HydrophobicContact CZ-CD 4.04Å; F5-K137 HydrophobicContact CZ-CG 3.88Å
6T86.2Confident77.7Confident59 Ų5946.2 Ų46.236%0.36229%0.285SS..EExtended strand (participates in β ladder)trans-111.5119.3173.9-53.50000108.4A14 T136T6-A14 HydrophobicContact CG2-CB 3.74Å; T6-T136 PolarHBondContact N-OG1 3.26Å; T6-T136 WeakPolarHBondContact O-CB 3.45Å; T6-T136 PolarHBondContact O-OG1 3.17Å
7S81.6Confident78.5Confident1 Ų143.5 Ų43.51%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-90.9106.8170.6178.70000108.4S9 Y15 D70S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact OG-OG 3.17Å; S7-Y15 PolarHBondContact N-O 2.96Å; S7-Y15 PolarHBondContact O-N 2.94Å; S7-D70 PolarHBondContact OG-OD2 3.15Å
8S72.8Confident79.2Confident77 Ų7741.3 Ų41.354%0.53825%0.254SS..  trans-95.418.4174.869.70000112.2V10S8-V10 PolarHBondContact O-N 3.04Å
9S60.8Low79.8Confident18 Ų1839.5 Ų39.513%0.12624%0.243CC..  trans-61.2-33.7-172.5-52.90000112.3S7 E66 D70 R132S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact OG-OG 3.17Å; S9-E66 VanDerWaalsContact CB-OE2 3.31Å; S9-E66 WeakPolarHBondContact CB-OE2 3.44Å; S9-E66 VanDerWaalsContact O-OE2 3.04Å; S9-D70 PolarHBondContact OG-OD2 3.28Å; S9-R132 PolarHBondContact OG-NH1 2.82Å; S9-R132 PolarHBondContact OG-NH2 2.98Å
10V60.1Low80.2Confident41 Ų4137.8 Ų37.825%0.24823%0.232CC..SBendtrans-107.1121.7-177.8-171.30000109.2S8 S12 S13 P64 E66 V67S8-V10 PolarHBondContact O-N 3.04Å; V10-S12 PolarHBondContact O-N 3.37Å; V10-S13 PolarHBondContact O-N 3.17Å; V10-P64 HydrophobicContact CG1-CG 4.48Å; V10-P64 HydrophobicContact CG2-CB 3.6Å; V10-P64 HydrophobicContact CG2-CG 3.89Å; V10-E66 HydrophobicContact CG2-CB 4.4Å; V10-V67 HydrophobicContact CG2-CG2 4.14Å
11N57.1Low80.4Confident172 Ų17242.3 Ų42.392%0.9225%0.249SC*.THydrogen-bonded Turntrans-53.7-6.8-179.4-74.9-19.2000115.6
12S58.4Low80.5Confident105 Ų10545.2 Ų45.273%0.73427%0.265SS*.THydrogen-bonded Turntrans-106.3-17.2-171.2-67.60000115.9V10V10-S12 PolarHBondContact O-N 3.37Å
13S70.5Confident80.3Confident58 Ų5849.6 Ų49.641%0.40628%0.284SS..  trans-172.4143.1169.3-81.50000112.1V10 Y15 H55V10-S13 PolarHBondContact O-N 3.17Å; S13-Y15 PolarHBondContact O-N 3.18Å; S13-H55 VanDerWaalsContact CB-NE2 3.26Å; S13-H55 WeakPolarHBondContact CB-NE2 3.25Å
14A81.3Confident80Confident56 Ų5654.7 Ų54.746%0.46330%0.303SS..  trans-79.1113.8176.300000110.1T6T6-A14 HydrophobicContact CG2-CB 3.74Å
15Y86.9Confident79.6Confident11 Ų1156 Ų564%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-83136.7174.6-72.7-87.1000110.5S7 S13 L52 L54 H55 E58 P64 V67S7-Y15 PolarHBondContact N-O 2.96Å; S7-Y15 PolarHBondContact O-N 2.94Å; S13-Y15 PolarHBondContact O-N 3.18Å; Y15-L52 HydrophobicContact CD1-CD1 4.17Å; Y15-L52 HydrophobicContact CG-CD1 4.33Å; Y15-L54 HydrophobicContact CD1-CD2 4.45Å; Y15-L54 HydrophobicContact CE1-CD2 4.18Å; Y15-H55 AromaticContact CE1-CD2 3.78Å; Y15-H55 AromaticContact CE1-NE2 3.99Å; Y15-E58 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E58 PolarHBondContact OH-OE1 3.4Å; Y15-P64 HydrophobicContact CE2-CG 3.96Å; Y15-P64 WeakPolarHBondContact OH-CD 3.42Å; Y15-V67 HydrophobicContact CD2-CB 4.44Å; Y15-V67 HydrophobicContact CD2-CG1 4.21Å; Y15-V67 HydrophobicContact CD2-CG2 3.51Å; Y15-V67 HydrophobicContact CE2-CG2 3.91Å; Y15-V67 HydrophobicContact CG-CG1 3.97Å; Y15-V67 HydrophobicContact CG-CG2 4.14Å
16T89.4Confident79.3Confident51 Ų5156.5 Ų56.531%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-95.4116177.1-57.90000109.3Y4 R53Y4-T16 HydrophobicContact CD1-CG2 3.9Å; Y4-T16 HydrophobicContact CE1-CG2 4.44Å; T16-R53 PolarHBondContact O-N 3.44Å
17I91.6Very high79.2Confident0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-105.8139.5174.2-60.1162.3000107.1Y4 F5 V50 Y51 L52 D70 L74 L133Y4-I17 CarbonylContact C-O 3.45Å; Y4-I17 WeakPolarHBondContact CA-O 3.22Å; F5-I17 HydrophobicContact CB-CB 4.14Å; F5-I17 HydrophobicContact CD2-CG2 4.47Å; F5-I17 PolarHBondContact N-O 3.3Å; F5-I17 PolarHBondContact O-N 3.01Å; F5-I17 VanDerWaalsContact O-O 3.11Å; I17-V50 HydrophobicContact CG2-CG1 3.45Å; I17-V50 VanDerWaalsContact CG2-CG1 3.45Å; I17-Y51 CarbonylContact C-O 3.5Å; I17-Y51 VanDerWaalsContact CA-O 3.3Å; I17-Y51 WeakPolarHBondContact CA-O 3.16Å; I17-L52 HydrophobicContact CG1-CD1 3.68Å; I17-D70 HydrophobicContact CD1-CB 4.44Å; I17-L74 HydrophobicContact CG2-CD2 3.79Å; I17-L133 HydrophobicContact CD1-CD2 4.35Å
18Y91.5Very high79.3Confident4 Ų458 Ų582%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-143.6153.6175.961.3-89.6000112.1V2 F3 Y4 L29 D37 Y51 R53V2-Y18 HydrophobicContact CG1-CD2 4.21Å; F3-Y18 CarbonylContact O-C 3.59Å; F3-Y18 WeakPolarHBondContact O-CA 3.07Å; F3-Y18 WeakPolarHBondContact O-CB 3.43Å; Y4-Y18 HydrophobicContact CE1-CD1 4.46Å; Y4-Y18 HydrophobicContact CE1-CG 4.27Å; Y18-L29 HydrophobicContact CD2-CD1 4.37Å; Y18-L29 HydrophobicContact CD2-CD2 3.92Å; Y18-L29 HydrophobicContact CE2-CD2 3.72Å; Y18-D37 PolarHBondContact OH-OD2 3.19Å; Y18-Y51 AromaticContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CG 4.08Å; Y18-Y51 HydrophobicContact CE2-CD1 4.21Å; Y18-Y51 AromaticContact CE2-CD2 3.61Å; Y18-Y51 HydrophobicContact CE2-CD2 3.61Å; Y18-Y51 AromaticContact CE2-CG 3.43Å; Y18-Y51 HydrophobicContact CE2-CG 3.43Å; Y18-Y51 VanDerWaalsContact CE2-CG 3.43Å; Y18-Y51 AromaticContact CZ-CG 3.8Å; Y18-Y51 PolarHBondContact N-O 3.32Å; Y18-Y51 PolarHBondContact O-N 2.88Å; Y18-R53 HydrophobicContact CE1-CB 4.33Å
19M90.9Very high79.9Confident8 Ų854.5 Ų54.54%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-144.6146.7175.574.1173.1106.100111.2V2 F3 F5 A48 H49 V50 L74V2-M19 WeakPolarHBondContact CA-O 3.48Å; F3-M19 HydrophobicContact CB-CG 4Å; F3-M19 HydrophobicContact CD2-CG 4.03Å; F3-M19 PolarHBondContact N-O 3.34Å; F3-M19 PolarHBondContact O-N 3.12Å; F5-M19 HydrophobicContact CD2-CE 4.27Å; F5-M19 HydrophobicContact CE2-CE 3.26Å; F5-M19 HydrophobicContact CE2-CG 4.16Å; F5-M19 HydrophobicContact CZ-CE 3.42Å; F5-M19 VanDerWaalsContact CZ-CE 3.42Å; M19-A48 HydrophobicContact SD-CB 4.27Å; M19-H49 VanDerWaalsContact CB-O 3.28Å; M19-H49 WeakPolarHBondContact CB-O 3.4Å; M19-V50 HydrophobicContact CB-CG2 4.12Å; M19-V50 HydrophobicContact SD-CG2 4.46Å; M19-L74 HydrophobicContact CE-CD1 3.61Å; M19-L74 HydrophobicContact CE-CD2 3.61Å; M19-L74 HydrophobicContact CE-CG 3.53Å
20G86.9Confident81.1Confident4 Ų454.3 Ų54.34%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-75145.4173.400000111.3D22 N26G20-D22 VanDerWaalsContact C-N 3.3Å; G20-N26 VanDerWaalsContact CA-OD1 3.24Å; G20-N26 WeakPolarHBondContact CA-OD1 3.33Å; G20-N26 PolarHBondContact N-OD1 2.94Å
21K84.9Confident82.1Confident133 Ų13358 Ų5858%0.57830%0.304SS*.SBendtrans-64.6-36.6175.5-175.7-169.6-171170.90112.4M1 F3M1-K21 HydrophobicContact CB-CB 4.09Å; M1-K21 HydrophobicContact CB-CD 4.1Å; M1-K21 HydrophobicContact CE-CB 4.36Å; M1-K21 HydrophobicContact CE-CD 3.6Å; M1-K21 HydrophobicContact CE-CG 4.04Å; M1-K21 HydrophobicContact CG-CD 4.41Å; M1-K21 WeakPolarHBondContact O-CB 3.39Å; M1-K21 PolarHBondContact O-N 2.85Å; M1-K21 HydrophobicContact SD-CD 3.82Å; F3-K21 HydrophobicContact CE2-CB 3.94Å; F3-K21 HydrophobicContact CE2-CG 4.04Å; F3-K21 HydrophobicContact CZ-CG 4.32Å
22D83.6Confident83.4Confident84 Ų8452.4 Ų52.445%0.44927%0.272SS..SBendtrans-145.9168.3-173.7-165.914.2000110.7G20 Y24 E25 N26G20-D22 VanDerWaalsContact C-N 3.3Å; D22-Y24 PolarHBondContact O-N 3.45Å; D22-E25 WeakPolarHBondContact O-CB 3.37Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.13Å; D22-N26 PolarHBondContact O-N 2.69Å; D22-N26 VanDerWaalsContact O-N 3.11Å
23K81.8Confident84.5Confident92 Ų9247.5 Ų47.540%0.424%0.238SC..Hα-helixtrans-55.8-31.6-177.667.4-177.3178.4179.60114N26 E27 V106K23-N26 PolarHBondContact O-N 3.48Å; K23-E27 PolarHBondContact O-N 3.35Å; K23-V106 HydrophobicContact CB-CG1 3.9Å; K23-V106 HydrophobicContact CD-CB 4.27Å; K23-V106 HydrophobicContact CD-CG1 3.89Å; K23-V106 HydrophobicContact CG-CG1 3.69Å
24Y83.1Confident85.2Confident138 Ų13847.1 Ų47.154%0.54123%0.228SC..Hα-helixtrans-68.5-44178.1-61.6-77.8000111.8D22 N26 E27 D28D22-Y24 PolarHBondContact O-N 3.45Å; Y24-N26 VanDerWaalsContact C-N 3.26Å; Y24-N26 PolarHBondContact O-N 3.19Å; Y24-E27 WeakPolarHBondContact O-CB 3.27Å; Y24-E27 PolarHBondContact O-N 3.24Å; Y24-E27 VanDerWaalsContact O-N 3.15Å; Y24-D28 PolarHBondContact O-N 3.41Å
25E83.5Confident85.3Confident62 Ų6248 Ų4829%0.2923%0.229SC..Hα-helixtrans-65.6-35176.3-54.5-64.817900111M1 D22 E27 D28 L29M1-E25 PolarHBondContact N-OE1 2.99Å; M1-E25 PolarHBondContact N-OE2 3.43Å; D22-E25 WeakPolarHBondContact O-CB 3.37Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.13Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 2.94Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.25Å
26N83.6Confident85.3Confident12 Ų1249.1 Ų49.16%0.06424%0.235CC..Hα-helixtrans-62.9-37.6174.7-65.8-19.5000111.6G20 D22 K23 Y24 D28 L29 I30G20-N26 VanDerWaalsContact CA-OD1 3.24Å; G20-N26 WeakPolarHBondContact CA-OD1 3.33Å; G20-N26 PolarHBondContact N-OD1 2.94Å; D22-N26 PolarHBondContact O-N 2.69Å; D22-N26 VanDerWaalsContact O-N 3.11Å; K23-N26 PolarHBondContact O-N 3.48Å; Y24-N26 VanDerWaalsContact C-N 3.26Å; Y24-N26 PolarHBondContact O-N 3.19Å; N26-D28 VanDerWaalsContact C-N 3.32Å; N26-D28 PolarHBondContact O-N 2.85Å; N26-L29 PolarHBondContact O-N 2.94Å; N26-I30 VanDerWaalsContact O-CD1 3.22Å; N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 WeakPolarHBondContact O-CG1 3.35Å; N26-I30 PolarHBondContact O-N 3.18Å
27E83.2Confident85.4Confident28 Ų2846.7 Ų46.713%0.13122%0.22CC..Hα-helixtrans-62.6-40.7175.1-67.7-72.8137.800111.6K23 Y24 E25 I30 K31 K100 V106 G107K23-E27 PolarHBondContact O-N 3.35Å; Y24-E27 WeakPolarHBondContact O-CB 3.27Å; Y24-E27 PolarHBondContact O-N 3.24Å; Y24-E27 VanDerWaalsContact O-N 3.15Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.41Å; E27-I30 PolarHBondContact O-N 3.3Å; E27-K31 VanDerWaalsContact O-CG 3.3Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.39Å; E27-K100 WeakPolarHBondContact OE1-CE 3.36Å; E27-K100 IonicContact OE1-NZ 3.44Å; E27-K100 PolarHBondContact OE1-NZ 2.79Å; E27-K100 WeakPolarHBondContact OE2-CE 3.26Å; E27-K100 IonicContact OE2-NZ 3.17Å; E27-V106 HydrophobicContact CG-CG1 3.77Å; E27-G107 PolarHBondContact OE1-N 3.06Å
28D83.5Confident85.5Confident65 Ų6546.9 Ų46.935%0.34822%0.221SC..Hα-helixtrans-71.4-38.1178.1-66.1-29.7000111.8Y24 E25 N26 I30 K31 H32 L144Y24-D28 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 2.94Å; N26-D28 VanDerWaalsContact C-N 3.32Å; N26-D28 PolarHBondContact O-N 2.85Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 3.37Å; D28-K31 PolarHBondContact O-N 2.92Å; D28-K31 IonicContact OD1-NZ 3.28Å; D28-H32 WeakPolarHBondContact O-CB 3.41Å; D28-H32 PolarHBondContact O-CD2 2.92Å; D28-H32 VanDerWaalsContact O-CD2 3.24Å; D28-H32 PolarHBondContact O-N 3.1Å; D28-L144 HydrophobicContact CB-CD1 4.17Å
29L85.4Confident85.6Confident2 Ų247 Ų471%0.0122%0.221CC..Hα-helixtrans-62-37.3171.3-68.8170.3000112V2 Y18 E25 N26 G33 Y51 L144V2-L29 HydrophobicContact CG1-CD1 4.49Å; V2-L29 HydrophobicContact CG1-CD2 4.38Å; V2-L29 HydrophobicContact CG2-CD1 4.33Å; V2-L29 HydrophobicContact CG2-CD2 4.08Å; V2-L29 HydrophobicContact CG2-CG 4.47Å; Y18-L29 HydrophobicContact CD2-CD1 4.37Å; Y18-L29 HydrophobicContact CD2-CD2 3.92Å; Y18-L29 HydrophobicContact CE2-CD2 3.72Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.25Å; N26-L29 PolarHBondContact O-N 2.94Å; L29-G33 WeakPolarHBondContact O-CA 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å; L29-Y51 HydrophobicContact CB-CE2 3.94Å; L29-Y51 HydrophobicContact CD1-CD2 4.21Å; L29-Y51 HydrophobicContact CD1-CE2 3.85Å; L29-L144 HydrophobicContact CD2-CD1 3.42Å; L29-L144 VanDerWaalsContact CD2-CD1 3.42Å; L29-L144 HydrophobicContact CD2-CD2 3.66Å; L29-L144 HydrophobicContact CD2-CG 4.19Å; L29-L144 HydrophobicContact CG-CD1 3.87Å
30I85.3Confident85.7Confident15 Ų1546.6 Ų46.68%0.07722%0.219CC..Hα-helixtrans-67.8-41.7174.8-64.8155.6000110.5N26 E27 D28 Y51 W95 I109N26-I30 VanDerWaalsContact O-CD1 3.22Å; N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 WeakPolarHBondContact O-CG1 3.35Å; N26-I30 PolarHBondContact O-N 3.18Å; E27-I30 PolarHBondContact O-N 3.3Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 3.37Å; I30-Y51 VanDerWaalsContact CG1-OH 3.26Å; I30-Y51 WeakPolarHBondContact CG1-OH 3.22Å; I30-W95 WeakPolarHBondContact O-CZ2 3.41Å; I30-W95 PolarHBondContact O-NE1 3.42Å; I30-I109 HydrophobicContact CD1-CD1 3.37Å; I30-I109 HydrophobicContact CD1-CG1 3.83Å; I30-I109 HydrophobicContact CG1-CD1 3.97Å
31K82.7Confident86Confident118 Ų11848.1 Ų48.151%0.51323%0.225SC..Hα-helixtrans-68-37.7179.3-71.3168-170.3166.80112.5E27 D28 K148E27-K31 VanDerWaalsContact O-CG 3.3Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.39Å; D28-K31 PolarHBondContact O-N 2.92Å; D28-K31 IonicContact OD1-NZ 3.28Å; K31-K148 PolarHBondContact O-NZ 3.48Å
32H82.6Confident86.3Confident54 Ų5441.8 Ų41.825%0.2520%0.198CC..Hα-helixtrans-107.39.3-171.3-60.6-71000114.5D28 L144 K148D28-H32 WeakPolarHBondContact O-CB 3.41Å; D28-H32 PolarHBondContact O-CD2 2.92Å; D28-H32 VanDerWaalsContact O-CD2 3.24Å; D28-H32 PolarHBondContact O-N 3.1Å; H32-L144 HydrophobicContact CB-CB 3.81Å; H32-K148 HydrophobicContact CB-CB 4.42Å; H32-K148 HydrophobicContact CB-CD 4.1Å
33G82.5Confident86.6Confident3 Ų340.2 Ų40.23%0.03119%0.189CC..  trans-62.8156175.300000113L29 W95L29-G33 WeakPolarHBondContact O-CA 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å; G33-W95 WeakPolarHBondContact O-CZ2 3.44Å
34W84.9Confident86.6Confident49 Ų4944.9 Ų44.919%0.18621%0.209CC..  trans-94.1153.9-179.8-64.47.6000110.2E36 D37 R53 W95W34-E36 PolarHBondContact O-N 2.9Å; W34-E36 VanDerWaalsContact O-N 3.16Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.46Å; W34-D37 WeakPolarHBondContact O-CB 3.45Å; W34-D37 PolarHBondContact O-N 3.37Å; W34-R53 VanDerWaalsContact CD2-CZ 3.46Å; W34-W95 WeakPolarHBondContact O-CB 3.34Å
35P83.8Confident86.8Confident74 Ų7439.7 Ų39.748%0.48119%0.191SC..THydrogen-bonded Turntrans-62.1-21.7176.625.4-35.2000113.6D37P35-D37 VanDerWaalsContact C-N 3.32Å
36E87Confident86.9Confident36 Ų3640.9 Ų40.917%0.16821%0.206CC..THydrogen-bonded Turntrans-84-7.5177.2-68.4157.1-178.600112.7W34 L54 K56 R151W34-E36 PolarHBondContact O-N 2.9Å; W34-E36 VanDerWaalsContact O-N 3.16Å; E36-L54 WeakPolarHBondContact O-CB 3.46Å; E36-L54 WeakPolarHBondContact O-CG 3.39Å; E36-L54 PolarHBondContact O-N 3.06Å; E36-K56 WeakPolarHBondContact OE1-CG 3.48Å; E36-R151 IonicContact OE1-NH2 3.77Å; E36-R151 PolarHBondContact OE1-NH2 3.25Å; E36-R151 VanDerWaalsContact OE1-NH2 3.14Å; E36-R151 IonicContact OE2-NH2 3.94Å; E36-R151 PolarHBondContact OE2-NH2 3.44Å
37D91.1Very high87.1Confident0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-82.7137.1-177.9-64.2-30.3000110.4Y18 W34 P35 L52 R53 W95Y18-D37 PolarHBondContact OH-OD2 3.19Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.46Å; W34-D37 WeakPolarHBondContact O-CB 3.45Å; W34-D37 PolarHBondContact O-N 3.37Å; P35-D37 VanDerWaalsContact C-N 3.32Å; D37-L52 CarbonylContact C-O 3.5Å; D37-L52 WeakPolarHBondContact CA-O 3.42Å; D37-R53 WeakPolarHBondContact OD1-CA 3.31Å; D37-R53 WeakPolarHBondContact OD1-CB 3.44Å; D37-R53 WeakPolarHBondContact OD1-CG 3.35Å; D37-R53 IonicContact OD1-CZ 3.69Å; D37-R53 IonicContact OD1-NE 2.79Å; D37-R53 PolarHBondContact OD1-NE 2.83Å; D37-R53 IonicContact OD1-NH2 3.98Å; D37-R53 IonicContact OD2-CZ 2.82Å; D37-R53 IonicContact OD2-NE 3.67Å; D37-R53 IonicContact OD2-NH2 2.64Å; D37-R53 PolarHBondContact OD2-NH2 3.49Å; D37-R53 VanDerWaalsContact OD2-NH2 3.15Å; D37-W95 HydrophobicContact CB-CB 4.23Å; D37-W95 WeakPolarHBondContact O-CB 3.41Å; D37-W95 PolarHBondContact O-N 2.91Å
38I92.7Very high87.3Confident4 Ų440.7 Ų40.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-107.6127.1174.6-54.2-60.1000108.3F40 Y51 L52 L54 I60 I63 Y92 P94I38-F40 HydrophobicContact CB-CE2 3.93Å; I38-F40 HydrophobicContact CG2-CD2 4.18Å; I38-F40 HydrophobicContact CG2-CE2 3.51Å; I38-F40 HydrophobicContact CG2-CZ 3.89Å; I38-Y51 CarbonylContact O-C 3.4Å; I38-Y51 VanDerWaalsContact O-CA 3.28Å; I38-Y51 WeakPolarHBondContact O-CA 3.29Å; I38-L52 HydrophobicContact CB-CB 4.39Å; I38-L52 PolarHBondContact N-O 2.87Å; I38-L52 PolarHBondContact O-N 2.86Å; I38-L54 HydrophobicContact CD1-CD1 3.86Å; I38-L54 HydrophobicContact CG1-CD1 3.64Å; I38-L54 HydrophobicContact CG1-CD2 4.42Å; I38-L54 HydrophobicContact CG1-CG 3.91Å; I38-I60 HydrophobicContact CD1-CB 4.19Å; I38-I60 HydrophobicContact CD1-CD1 4.33Å; I38-I60 HydrophobicContact CD1-CG1 4.28Å; I38-I60 HydrophobicContact CG2-CD1 4.27Å; I38-I63 HydrophobicContact CG1-CD1 4Å; I38-Y92 HydrophobicContact CG2-CD2 4.22Å; I38-P94 HydrophobicContact CD1-CB 4Å
39W93.7Very high87.6Confident5 Ų538 Ų382%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-94.3139.7178.9176.681.6000111H41 H49 Y51 V91 Y92 T93 L98 I109 F111W39-H41 HydrophobicContact CD2-CB 4.46Å; W39-H41 HydrophobicContact CE3-CB 4.22Å; W39-H41 HydrophobicContact CH2-CB 3.07Å; W39-H41 AromaticContact CH2-CG 3.56Å; W39-H41 AromaticContact CH2-ND1 3.99Å; W39-H41 HydrophobicContact CZ2-CB 3.28Å; W39-H41 AromaticContact CZ2-CG 3.71Å; W39-H41 HydrophobicContact CZ3-CB 3.54Å; W39-H49 AromaticContact CZ2-CD2 3.96Å; W39-H49 AromaticContact CZ2-NE2 3.91Å; W39-H49 AromaticContact NE1-CD2 3.94Å; W39-H49 AromaticContact NE1-CG 3.34Å; W39-H49 VanDerWaalsContact NE1-CG 3.34Å; W39-H49 AromaticContact NE1-ND1 3.48Å; W39-H49 PolarHBondContact NE1-ND1 3.41Å; W39-Y51 HydrophobicContact CB-CD1 4.34Å; W39-Y51 HydrophobicContact CB-CE1 4.34Å; W39-Y51 AromaticContact CD1-CD1 3.97Å; W39-Y51 AromaticContact CD1-CE1 3.4Å; W39-Y51 VanDerWaalsContact CD1-CE1 3.4Å; W39-Y51 AromaticContact CD1-CZ 3.56Å; W39-Y51 HydrophobicContact CG-CE1 4.24Å; W39-V91 HydrophobicContact CH2-CG2 4.48Å; W39-V91 HydrophobicContact CZ3-CG2 3.94Å; W39-Y92 CarbonylContact O-C 3.53Å; W39-Y92 WeakPolarHBondContact O-CA 3.41Å; W39-T93 HydrophobicContact CE3-CG2 4.04Å; W39-T93 PolarHBondContact N-O 3.34Å; W39-T93 PolarHBondContact O-N 3.41Å; W39-L98 HydrophobicContact CB-CD1 3.83Å; W39-L98 HydrophobicContact CB-CD2 4.14Å; W39-L98 HydrophobicContact CB-CG 4.4Å; W39-L98 HydrophobicContact CD2-CD1 4.41Å; W39-L98 HydrophobicContact CD2-CD2 3.92Å; W39-L98 HydrophobicContact CE3-CD2 3.92Å; W39-L98 HydrophobicContact CG-CD1 3.84Å; W39-L98 HydrophobicContact CG-CD2 4.08Å; W39-I109 HydrophobicContact CZ2-CB 4.46Å; W39-I109 HydrophobicContact CZ2-CD1 3.65Å; W39-F111 HydrophobicContact CE3-CE1 4.14Å; W39-F111 HydrophobicContact CH2-CE1 4.23Å; W39-F111 HydrophobicContact CH2-CZ 4.08Å; W39-F111 AromaticContact CZ3-CE1 3.58Å; W39-F111 HydrophobicContact CZ3-CE1 3.58Å; W39-F111 AromaticContact CZ3-CZ 3.63Å; W39-F111 HydrophobicContact CZ3-CZ 3.63Å
40F94Very high87.9Confident1 Ų138 Ų380%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-127.5141.6179.6-66.2-104.1000111.7I38 V50 L52 L68 C71 V75 V90 V91 Y92I38-F40 HydrophobicContact CB-CE2 3.93Å; I38-F40 HydrophobicContact CG2-CD2 4.18Å; I38-F40 HydrophobicContact CG2-CE2 3.51Å; I38-F40 HydrophobicContact CG2-CZ 3.89Å; F40-V50 HydrophobicContact CB-CB 4.26Å; F40-V50 PolarHBondContact N-O 2.83Å; F40-V50 PolarHBondContact O-N 2.88Å; F40-L52 HydrophobicContact CD2-CB 4.45Å; F40-L52 HydrophobicContact CE2-CB 3.72Å; F40-L52 HydrophobicContact CE2-CD2 4.2Å; F40-L52 HydrophobicContact CZ-CD2 4.3Å; F40-L68 HydrophobicContact CE1-CD1 3.61Å; F40-L68 HydrophobicContact CZ-CD1 3.86Å; F40-C71 HydrophobicContact CD1-CB 3.97Å; F40-C71 HydrophobicContact CD2-CB 4.24Å; F40-C71 HydrophobicContact CE1-CB 3.86Å; F40-C71 HydrophobicContact CE2-CB 4.14Å; F40-C71 HydrophobicContact CG-CB 4.18Å; F40-C71 HydrophobicContact CZ-CB 3.96Å; F40-V75 HydrophobicContact CB-CG2 3.65Å; F40-V90 HydrophobicContact CB-CG1 4.43Å; F40-V90 HydrophobicContact CD1-CG1 4.17Å; F40-V91 WeakPolarHBondContact CA-O 3.37Å; F40-Y92 HydrophobicContact CD1-CG 4.17Å; F40-Y92 HydrophobicContact CE1-CD1 4.33Å; F40-Y92 HydrophobicContact CE1-CD2 4.16Å; F40-Y92 AromaticContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CZ-CD2 4.29Å; F40-Y92 HydrophobicContact CZ-CG 4.26Å
41H92.3Very high88.3Confident35 Ų3537.2 Ų37.216%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-158155.3178.1-178.6-101.2000111.4W39 L45 S47 H49 V90 V91W39-H41 HydrophobicContact CD2-CB 4.46Å; W39-H41 HydrophobicContact CE3-CB 4.22Å; W39-H41 HydrophobicContact CH2-CB 3.07Å; W39-H41 AromaticContact CH2-CG 3.56Å; W39-H41 AromaticContact CH2-ND1 3.99Å; W39-H41 HydrophobicContact CZ2-CB 3.28Å; W39-H41 AromaticContact CZ2-CG 3.71Å; W39-H41 HydrophobicContact CZ3-CB 3.54Å; H41-L45 PolarHBondContact CE1-O 3.47Å; H41-L45 PolarHBondContact NE2-O 3.34Å; H41-S47 PolarHBondContact CD2-OG 3.19Å; H41-S47 PolarHBondContact NE2-OG 3.47Å; H41-H49 AromaticContact CD2-CD2 3.57Å; H41-H49 AromaticContact CD2-NE2 3.79Å; H41-V90 CarbonylContact O-C 3.55Å; H41-V90 WeakPolarHBondContact O-CA 3.44Å; H41-V90 WeakPolarHBondContact O-CG1 3.46Å; H41-V91 HydrophobicContact CB-CG2 3.99Å; H41-V91 PolarHBondContact N-O 2.99Å; H41-V91 WeakPolarHBondContact O-CG2 3.17Å; H41-V91 PolarHBondContact O-N 3.44Å
42V91.5Very high88.7Confident1 Ų131.6 Ų31.61%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-75.9130.7173.3-176.70000110.8K44 L45 S47 V75 V88V42-K44 PolarHBondContact O-N 2.99Å; V42-L45 HydrophobicContact CB-CB 4.21Å; V42-L45 HydrophobicContact CG1-CB 3.76Å; V42-L45 HydrophobicContact CG1-CD1 3.79Å; V42-L45 HydrophobicContact CG1-CG 4.08Å; V42-S47 WeakPolarHBondContact CB-OG 3.35Å; V42-S47 PolarHBondContact N-OG 2.73Å; V42-V75 HydrophobicContact CG2-CG1 3.61Å; V42-V88 HydrophobicContact CB-CG1 4.37Å; V42-V88 HydrophobicContact CG1-CG1 3.29Å; V42-V88 HydrophobicContact CG2-CG1 4.15Å
43D89.7Confident89Confident51 Ų5131.1 Ų31.127%0.27316%0.163SC..THydrogen-bonded Turntrans-60129.9174.4-171.135.3000110.9L45 N89 V91D43-L45 PolarHBondContact O-N 2.9Å; D43-N89 HydrophobicContact CB-CB 4.03Å; D43-N89 PolarHBondContact N-O 2.92Å; D43-V91 HydrophobicContact CB-CG1 4.05Å
44K83.5Confident89.3Confident189 Ų18931.3 Ų31.382%0.82216%0.163SC*.THydrogen-bonded Turntrans61.22.6174.5-58.5163.9-171.9172.80117.2V42V42-K44 PolarHBondContact O-N 2.99Å
45L86.5Confident89.3Confident30 Ų3032.3 Ų32.316%0.15717%0.17CC..SBendtrans-120.4149.6-178.5-61.5175.9000110.9H41 V42 D43 S47 Q81 M85H41-L45 PolarHBondContact CE1-O 3.47Å; H41-L45 PolarHBondContact NE2-O 3.34Å; V42-L45 HydrophobicContact CB-CB 4.21Å; V42-L45 HydrophobicContact CG1-CB 3.76Å; V42-L45 HydrophobicContact CG1-CD1 3.79Å; V42-L45 HydrophobicContact CG1-CG 4.08Å; D43-L45 PolarHBondContact O-N 2.9Å; L45-S47 PolarHBondContact O-N 2.98Å; L45-Q81 HydrophobicContact CD2-CB 4.15Å; L45-Q81 VanDerWaalsContact CD2-OE1 3.25Å; L45-M85 HydrophobicContact CD1-SD 3.78Å
46S85.5Confident89.1Confident86 Ų8636.9 Ų36.960%0.60118%0.182SC*.  trans-68.7118.7171.5-1760000109.6S79S46-S79 PolarHBondContact O-OG 3.1Å
47S86.9Confident88.8Confident15 Ų1538.4 Ų38.411%0.10521%0.207CC..BIsolated β-bridgetrans-146.9159-179.964.30000111.8H41 V42 L45H41-S47 PolarHBondContact CD2-OG 3.19Å; H41-S47 PolarHBondContact NE2-OG 3.47Å; V42-S47 WeakPolarHBondContact CB-OG 3.35Å; V42-S47 PolarHBondContact N-OG 2.73Å; L45-S47 PolarHBondContact O-N 2.98Å
48A88.7Confident88.4Confident22 Ų2240.8 Ų40.818%0.18222%0.218CC..  trans-63.2146.9172.400000111.3M19 N78M19-A48 HydrophobicContact SD-CB 4.27Å; A48-N78 HydrophobicContact CB-CB 3.65Å; A48-N78 PolarHBondContact N-O 3.44Å
49H89.7Confident87.9Confident9 Ų945.3 Ų45.34%0.04224%0.243CC..  trans-85.2116.4173.1-66.2-178.2000108.7M19 W39 H41 Y51 G107 I109M19-H49 VanDerWaalsContact CB-O 3.28Å; M19-H49 WeakPolarHBondContact CB-O 3.4Å; W39-H49 AromaticContact CZ2-CD2 3.96Å; W39-H49 AromaticContact CZ2-NE2 3.91Å; W39-H49 AromaticContact NE1-CD2 3.94Å; W39-H49 AromaticContact NE1-CG 3.34Å; W39-H49 VanDerWaalsContact NE1-CG 3.34Å; W39-H49 AromaticContact NE1-ND1 3.48Å; W39-H49 PolarHBondContact NE1-ND1 3.41Å; H41-H49 AromaticContact CD2-CD2 3.57Å; H41-H49 AromaticContact CD2-NE2 3.79Å; H49-Y51 HydrophobicContact CB-CE2 3.8Å; H49-G107 PolarHBondContact CE1-O 2.94Å; H49-G107 VanDerWaalsContact CE1-O 3.32Å; H49-I109 WeakPolarHBondContact CE1-CD1 3.35Å; H49-I109 WeakPolarHBondContact ND1-CD1 3.5Å
50V92Very high87.5Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-106.2139.8175.9178.10000108.4I17 M19 F40 L74 V75I17-V50 HydrophobicContact CG2-CG1 3.45Å; I17-V50 VanDerWaalsContact CG2-CG1 3.45Å; M19-V50 HydrophobicContact CB-CG2 4.12Å; M19-V50 HydrophobicContact SD-CG2 4.46Å; F40-V50 HydrophobicContact CB-CB 4.26Å; F40-V50 PolarHBondContact N-O 2.83Å; F40-V50 PolarHBondContact O-N 2.88Å; V50-L74 HydrophobicContact CG1-CD2 4.1Å; V50-L74 HydrophobicContact CG2-CD2 4.34Å; V50-L74 HydrophobicContact CG2-CG 4.36Å; V50-V75 HydrophobicContact CB-CG2 3.51Å; V50-V75 HydrophobicContact CG1-CG2 4.36Å; V50-V75 HydrophobicContact CG2-CB 4.33Å; V50-V75 HydrophobicContact CG2-CG2 3.37Å
51Y92.3Very high87Confident0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-122.1138.4179.4-57.9-97.2000109I17 Y18 L29 I30 I38 W39 H49I17-Y51 CarbonylContact C-O 3.5Å; I17-Y51 VanDerWaalsContact CA-O 3.3Å; I17-Y51 WeakPolarHBondContact CA-O 3.16Å; Y18-Y51 AromaticContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CG 4.08Å; Y18-Y51 HydrophobicContact CE2-CD1 4.21Å; Y18-Y51 AromaticContact CE2-CD2 3.61Å; Y18-Y51 HydrophobicContact CE2-CD2 3.61Å; Y18-Y51 AromaticContact CE2-CG 3.43Å; Y18-Y51 HydrophobicContact CE2-CG 3.43Å; Y18-Y51 VanDerWaalsContact CE2-CG 3.43Å; Y18-Y51 AromaticContact CZ-CG 3.8Å; Y18-Y51 PolarHBondContact N-O 3.32Å; Y18-Y51 PolarHBondContact O-N 2.88Å; L29-Y51 HydrophobicContact CB-CE2 3.94Å; L29-Y51 HydrophobicContact CD1-CD2 4.21Å; L29-Y51 HydrophobicContact CD1-CE2 3.85Å; I30-Y51 VanDerWaalsContact CG1-OH 3.26Å; I30-Y51 WeakPolarHBondContact CG1-OH 3.22Å; I38-Y51 CarbonylContact O-C 3.4Å; I38-Y51 VanDerWaalsContact O-CA 3.28Å; I38-Y51 WeakPolarHBondContact O-CA 3.29Å; W39-Y51 HydrophobicContact CB-CD1 4.34Å; W39-Y51 HydrophobicContact CB-CE1 4.34Å; W39-Y51 AromaticContact CD1-CD1 3.97Å; W39-Y51 AromaticContact CD1-CE1 3.4Å; W39-Y51 VanDerWaalsContact CD1-CE1 3.4Å; W39-Y51 AromaticContact CD1-CZ 3.56Å; W39-Y51 HydrophobicContact CG-CE1 4.24Å; H49-Y51 HydrophobicContact CB-CE2 3.8Å
52L91.8Very high86.7Confident0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-115.6123.4174.1172.667.3000108.1Y15 I17 D37 I38 F40 L54 I63 V67Y15-L52 HydrophobicContact CD1-CD1 4.17Å; Y15-L52 HydrophobicContact CG-CD1 4.33Å; I17-L52 HydrophobicContact CG1-CD1 3.68Å; D37-L52 CarbonylContact C-O 3.5Å; D37-L52 WeakPolarHBondContact CA-O 3.42Å; I38-L52 HydrophobicContact CB-CB 4.39Å; I38-L52 PolarHBondContact N-O 2.87Å; I38-L52 PolarHBondContact O-N 2.86Å; F40-L52 HydrophobicContact CD2-CB 4.45Å; F40-L52 HydrophobicContact CE2-CB 3.72Å; F40-L52 HydrophobicContact CE2-CD2 4.2Å; F40-L52 HydrophobicContact CZ-CD2 4.3Å; L52-L54 HydrophobicContact CD2-CD2 3.97Å; L52-L54 HydrophobicContact CG-CD2 4.17Å; L52-I63 HydrophobicContact CD2-CD1 4.05Å; L52-I63 HydrophobicContact CD2-CG2 3.85Å; L52-V67 HydrophobicContact CD1-CG1 3.69Å; L52-V67 HydrophobicContact CD2-CG1 3.91Å; L52-V67 HydrophobicContact CG-CG1 4.49Å
53R89.3Confident86.4Confident44 Ų4457 Ų5717%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-87.8116.2174.1-176.3157.4-68.7171.8-0110.1T16 Y18 W34 D37T16-R53 PolarHBondContact O-N 3.44Å; Y18-R53 HydrophobicContact CE1-CB 4.33Å; W34-R53 VanDerWaalsContact CD2-CZ 3.46Å; D37-R53 WeakPolarHBondContact OD1-CA 3.31Å; D37-R53 WeakPolarHBondContact OD1-CB 3.44Å; D37-R53 WeakPolarHBondContact OD1-CG 3.35Å; D37-R53 IonicContact OD1-CZ 3.69Å; D37-R53 IonicContact OD1-NE 2.79Å; D37-R53 PolarHBondContact OD1-NE 2.83Å; D37-R53 IonicContact OD1-NH2 3.98Å; D37-R53 IonicContact OD2-CZ 2.82Å; D37-R53 IonicContact OD2-NE 3.67Å; D37-R53 IonicContact OD2-NH2 2.64Å; D37-R53 PolarHBondContact OD2-NH2 3.49Å; D37-R53 VanDerWaalsContact OD2-NH2 3.15Å
54L88.6Confident86.3Confident7 Ų756.1 Ų56.14%0.03730%0.298CS..PPolyproline II helixtrans-80.6159.5173.4-59.1-178.4000111.5Y15 E36 I38 L52 E58 I63Y15-L54 HydrophobicContact CD1-CD2 4.45Å; Y15-L54 HydrophobicContact CE1-CD2 4.18Å; E36-L54 WeakPolarHBondContact O-CB 3.46Å; E36-L54 WeakPolarHBondContact O-CG 3.39Å; E36-L54 PolarHBondContact O-N 3.06Å; I38-L54 HydrophobicContact CD1-CD1 3.86Å; I38-L54 HydrophobicContact CG1-CD1 3.64Å; I38-L54 HydrophobicContact CG1-CD2 4.42Å; I38-L54 HydrophobicContact CG1-CG 3.91Å; L52-L54 HydrophobicContact CD2-CD2 3.97Å; L52-L54 HydrophobicContact CG-CD2 4.17Å; L54-E58 HydrophobicContact CB-CB 4.15Å; L54-E58 HydrophobicContact CD1-CB 4.45Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD1-CG1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 3.94Å; L54-I63 HydrophobicContact CD2-CG1 3.69Å
55H83.7Confident86.4Confident70 Ų7055.5 Ų55.532%0.32430%0.296SS..PPolyproline II helixtrans-73.2154.5170.3-59.2-68.2000110.4S13 Y15 G57 E58S13-H55 VanDerWaalsContact CB-NE2 3.26Å; S13-H55 WeakPolarHBondContact CB-NE2 3.25Å; Y15-H55 AromaticContact CE1-CD2 3.78Å; Y15-H55 AromaticContact CE1-NE2 3.99Å; H55-G57 PolarHBondContact O-N 3.2Å; H55-E58 HydrophobicContact CB-CG 4.19Å; H55-E58 WeakPolarHBondContact CB-OE2 3.33Å; H55-E58 IonicContact CD2-OE1 3.92Å; H55-E58 IonicContact CD2-OE2 3.13Å; H55-E58 PolarHBondContact CD2-OE2 3.4Å; H55-E58 VanDerWaalsContact CD2-OE2 3.26Å; H55-E58 IonicContact CG-OE2 3.83Å; H55-E58 PolarHBondContact N-OE2 2.93Å; H55-E58 PolarHBondContact O-N 2.87Å; H55-E58 VanDerWaalsContact O-N 3.08Å
56K79.6Confident86.5Confident170 Ų17059 Ų5974%0.73931%0.311SS*.THydrogen-bonded Turntrans-56.1116.2-179.6-62.6-169.3174-176.80110.2E36E36-K56 WeakPolarHBondContact OE1-CG 3.48Å
57G80.9Confident86.6Confident67 Ų6755 Ų5569%0.69128%0.283SS*.THydrogen-bonded Turntrans98.6-7.4177.400000115.9H55H55-G57 PolarHBondContact O-N 3.2Å
58E83.1Confident86.8Confident50 Ų5055.3 Ų55.323%0.23428%0.284CS..  trans-77.7146.1171.5-68.7-177.8136.700111.2Y15 L54 H55 D62Y15-E58 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E58 PolarHBondContact OH-OE1 3.4Å; L54-E58 HydrophobicContact CB-CB 4.15Å; L54-E58 HydrophobicContact CD1-CB 4.45Å; H55-E58 HydrophobicContact CB-CG 4.19Å; H55-E58 WeakPolarHBondContact CB-OE2 3.33Å; H55-E58 IonicContact CD2-OE1 3.92Å; H55-E58 IonicContact CD2-OE2 3.13Å; H55-E58 PolarHBondContact CD2-OE2 3.4Å; H55-E58 VanDerWaalsContact CD2-OE2 3.26Å; H55-E58 IonicContact CG-OE2 3.83Å; H55-E58 PolarHBondContact N-OE2 2.93Å; H55-E58 PolarHBondContact O-N 2.87Å; H55-E58 VanDerWaalsContact O-N 3.08Å; E58-D62 HydrophobicContact CB-CB 4.45Å
59N83.1Confident86.8Confident100 Ų10057.9 Ų57.954%0.53529%0.292SS..  trans-108.9171.3174.2-61.3-77.1000111.3E61 D62N59-E61 PolarHBondContact O-N 2.94Å; N59-D62 PolarHBondContact N-OD2 3.44Å; N59-D62 PolarHBondContact O-N 3.46Å
60I84.6Confident86.8Confident31 Ų3157.5 Ų57.516%0.15929%0.291CS..THydrogen-bonded Turntrans-56.7-16.7175.6-164.2164.1000113.9I38 I63 Y92 K118I38-I60 HydrophobicContact CD1-CB 4.19Å; I38-I60 HydrophobicContact CD1-CD1 4.33Å; I38-I60 HydrophobicContact CD1-CG1 4.28Å; I38-I60 HydrophobicContact CG2-CD1 4.27Å; I60-I63 HydrophobicContact CG1-CD1 4.17Å; I60-Y92 HydrophobicContact CD1-CD2 3.58Å; I60-Y92 HydrophobicContact CD1-CE2 3.79Å; I60-Y92 HydrophobicContact CG1-CD2 3.79Å; I60-Y92 HydrophobicContact CG1-CE2 3.64Å; I60-K118 HydrophobicContact CD1-CD 4.31Å; I60-K118 HydrophobicContact CG1-CD 4.33Å; I60-K118 HydrophobicContact CG2-CD 4.45Å
61E84.1Confident86.8Confident151 Ų15157.5 Ų57.571%0.70629%0.291SS*.THydrogen-bonded Turntrans-89.4-23.1180-39.8-145.6126.200112.8N59 I63 K118N59-E61 PolarHBondContact O-N 2.94Å; E61-I63 VanDerWaalsContact C-N 3.28Å; E61-K118 IonicContact OE1-NZ 3.69Å; E61-K118 PolarHBondContact OE1-NZ 3.14Å
62D85.3Confident86.7Confident90 Ų9057.5 Ų57.548%0.48129%0.291SS..THydrogen-bonded Turntrans-84.8-7.1-177.2-57.5-53.7000111.9E58 N59 P64E58-D62 HydrophobicContact CB-CB 4.45Å; N59-D62 PolarHBondContact N-OD2 3.44Å; N59-D62 PolarHBondContact O-N 3.46Å; D62-P64 WeakPolarHBondContact O-CD 3.2Å
63I85.2Confident86.7Confident16 Ų1657.7 Ų57.78%0.08229%0.292CS..SBendtrans-65.2121.2-178.1-51.8177.5000109.7I38 L52 L54 I60 E61 K65 V67 L68I38-I63 HydrophobicContact CG1-CD1 4Å; L52-I63 HydrophobicContact CD2-CD1 4.05Å; L52-I63 HydrophobicContact CD2-CG2 3.85Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD1-CG1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 3.94Å; L54-I63 HydrophobicContact CD2-CG1 3.69Å; I60-I63 HydrophobicContact CG1-CD1 4.17Å; E61-I63 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 2.84Å; I63-V67 HydrophobicContact CG2-CB 4.26Å; I63-V67 HydrophobicContact CG2-CG1 4.37Å; I63-L68 HydrophobicContact CG2-CB 4.38Å
64P87.1Confident86.7Confident31 Ų3155.8 Ų55.820%0.20129%0.285CS..  trans-59138.1176-23.633.4000111.4V10 Y15 D62 E66 V67 L68V10-P64 HydrophobicContact CG1-CG 4.48Å; V10-P64 HydrophobicContact CG2-CB 3.6Å; V10-P64 HydrophobicContact CG2-CG 3.89Å; Y15-P64 HydrophobicContact CE2-CG 3.96Å; Y15-P64 WeakPolarHBondContact OH-CD 3.42Å; D62-P64 WeakPolarHBondContact O-CD 3.2Å; P64-E66 PolarHBondContact O-N 3.35Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.29Å; P64-V67 PolarHBondContact O-N 2.83Å; P64-L68 PolarHBondContact O-N 3.4Å
65K87.1Confident86.9Confident177 Ų17755.5 Ų55.577%0.7728%0.283SS*.Hα-helixtrans-54.4-32.6-179.7-66.5-177.8-177.91770112.7I63 L68 M69I63-K65 PolarHBondContact O-N 2.84Å; K65-L68 PolarHBondContact O-N 2.91Å; K65-M69 WeakPolarHBondContact O-CB 3.31Å; K65-M69 WeakPolarHBondContact O-CG 3.36Å; K65-M69 PolarHBondContact O-N 3.25Å
66E87.3Confident87.1Confident104 Ų10452.2 Ų52.249%0.48627%0.268SS..Hα-helixtrans-65-45.7177.7-61.8-176.3-178.800112.3S9 V10 P64 L68 M69 D70S9-E66 VanDerWaalsContact CB-OE2 3.31Å; S9-E66 WeakPolarHBondContact CB-OE2 3.44Å; S9-E66 VanDerWaalsContact O-OE2 3.04Å; V10-E66 HydrophobicContact CG2-CB 4.4Å; P64-E66 PolarHBondContact O-N 3.35Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-M69 PolarHBondContact O-N 2.95Å; E66-D70 VanDerWaalsContact O-CG 3.25Å; E66-D70 PolarHBondContact O-N 2.87Å
67V88.7Confident87.6Confident0 Ų045.6 Ų45.60%025%0.245CC..Hα-helixtrans-67-38.8177.7-178.70000110.3V10 Y15 L52 I63 P64 M69 D70 C71V10-V67 HydrophobicContact CG2-CG2 4.14Å; Y15-V67 HydrophobicContact CD2-CB 4.44Å; Y15-V67 HydrophobicContact CD2-CG1 4.21Å; Y15-V67 HydrophobicContact CD2-CG2 3.51Å; Y15-V67 HydrophobicContact CE2-CG2 3.91Å; Y15-V67 HydrophobicContact CG-CG1 3.97Å; Y15-V67 HydrophobicContact CG-CG2 4.14Å; L52-V67 HydrophobicContact CD1-CG1 3.69Å; L52-V67 HydrophobicContact CD2-CG1 3.91Å; L52-V67 HydrophobicContact CG-CG1 4.49Å; I63-V67 HydrophobicContact CG2-CB 4.26Å; I63-V67 HydrophobicContact CG2-CG1 4.37Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.29Å; P64-V67 PolarHBondContact O-N 2.83Å; V67-M69 VanDerWaalsContact C-N 3.34Å; V67-M69 PolarHBondContact O-N 2.89Å; V67-D70 WeakPolarHBondContact O-CB 3.4Å; V67-D70 PolarHBondContact O-N 3.38Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 2.89Å
68L90.3Very high88Confident23 Ų2346 Ų4612%0.1223%0.231CC..Hα-helixtrans-61-44.1174.2-169.372.4000111.4F40 I63 P64 K65 E66 C71 A72 Y92 V120F40-L68 HydrophobicContact CE1-CD1 3.61Å; F40-L68 HydrophobicContact CZ-CD1 3.86Å; I63-L68 HydrophobicContact CG2-CB 4.38Å; P64-L68 PolarHBondContact O-N 3.4Å; K65-L68 PolarHBondContact O-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.32Å; L68-C71 PolarHBondContact O-N 3.24Å; L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.41Å; L68-Y92 HydrophobicContact CD1-CD1 4.41Å; L68-Y92 HydrophobicContact CD1-CD2 4Å; L68-Y92 HydrophobicContact CD1-CE1 4.26Å; L68-Y92 HydrophobicContact CD1-CE2 3.8Å; L68-Y92 HydrophobicContact CD1-CG 4.31Å; L68-V120 HydrophobicContact CD1-CG2 4.41Å; L68-V120 HydrophobicContact CD2-CG2 3.49Å; L68-V120 VanDerWaalsContact CD2-CG2 3.49Å; L68-V120 HydrophobicContact CG-CG2 3.98Å
69M89.2Confident88.2Confident75 Ų7543.7 Ų43.737%0.36922%0.221SC..Hα-helixtrans-66.8-39.2176.2-72.9-68.3-90.600111.8K65 E66 V67 A72 H73 V120K65-M69 WeakPolarHBondContact O-CB 3.31Å; K65-M69 WeakPolarHBondContact O-CG 3.36Å; K65-M69 PolarHBondContact O-N 3.25Å; E66-M69 PolarHBondContact O-N 2.95Å; V67-M69 VanDerWaalsContact C-N 3.34Å; V67-M69 PolarHBondContact O-N 2.89Å; M69-A72 PolarHBondContact O-N 2.85Å; M69-H73 WeakPolarHBondContact O-CB 3.38Å; M69-H73 PolarHBondContact O-N 3.46Å; M69-H73 PolarHBondContact O-ND1 2.86Å; M69-V120 HydrophobicContact SD-CG1 4.49Å
70D90.2Very high88.2Confident1 Ų145.6 Ų45.61%0.00523%0.23CC..Hα-helixtrans-56.9-50.3173.7-74.1-18000111.2S7 S9 I17 E66 V67 H73 L74 I129 R132 L133S7-D70 PolarHBondContact OG-OD2 3.15Å; S9-D70 PolarHBondContact OG-OD2 3.28Å; I17-D70 HydrophobicContact CD1-CB 4.44Å; E66-D70 VanDerWaalsContact O-CG 3.25Å; E66-D70 PolarHBondContact O-N 2.87Å; V67-D70 WeakPolarHBondContact O-CB 3.4Å; V67-D70 PolarHBondContact O-N 3.38Å; D70-H73 PolarHBondContact O-N 3.16Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.01Å; D70-I129 HydrophobicContact CB-CG2 4.39Å; D70-I129 WeakPolarHBondContact OD1-CG2 3.33Å; D70-R132 VanDerWaalsContact CG-NH2 3.29Å; D70-R132 IonicContact OD1-CZ 3.8Å; D70-R132 IonicContact OD1-NH2 2.84Å; D70-R132 PolarHBondContact OD1-NH2 2.87Å; D70-R132 IonicContact OD2-CZ 2.93Å; D70-R132 IonicContact OD2-NH2 2.69Å; D70-R132 PolarHBondContact OD2-NH2 2.92Å; D70-R132 VanDerWaalsContact OD2-NH2 3.13Å; D70-L133 HydrophobicContact CB-CD1 4Å; D70-L133 HydrophobicContact CB-CD2 4.28Å
71C91Very high88.2Confident0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-61.9-46.8177.7-63.10000111.4F40 V67 L68 H73 L74 V75F40-C71 HydrophobicContact CD1-CB 3.97Å; F40-C71 HydrophobicContact CD2-CB 4.24Å; F40-C71 HydrophobicContact CE1-CB 3.86Å; F40-C71 HydrophobicContact CE2-CB 4.14Å; F40-C71 HydrophobicContact CG-CB 4.18Å; F40-C71 HydrophobicContact CZ-CB 3.96Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 2.89Å; L68-C71 PolarHBondContact O-N 3.24Å; C71-H73 PolarHBondContact O-N 3.13Å; C71-L74 WeakPolarHBondContact O-CB 3.38Å; C71-L74 PolarHBondContact O-N 3.27Å; C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 3.32Å
72A91.6Very high88Confident1 Ų142.3 Ų42.31%0.00821%0.213CC..Hα-helixtrans-63.9-39.3-178.300000112.5L68 M69 K76 V90 V120 V122L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.41Å; M69-A72 PolarHBondContact O-N 2.85Å; A72-K76 VanDerWaalsContact O-CB 3.3Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.33Å; A72-V90 HydrophobicContact CB-CB 4.26Å; A72-V90 HydrophobicContact CB-CG1 4.36Å; A72-V90 HydrophobicContact CB-CG2 4.09Å; A72-V120 HydrophobicContact CB-CG1 4.39Å; A72-V122 HydrophobicContact CB-CG2 3.48Å; A72-V122 VanDerWaalsContact CB-CG2 3.48Å
73H90.2Very high87.8Confident3 Ų339.9 Ų39.91%0.01420%0.203CC..Hα-helixtrans-66-40.4173.5-78.984.2000112.1M69 D70 C71 K76 A77 K124 V126 I129 L130M69-H73 WeakPolarHBondContact O-CB 3.38Å; M69-H73 PolarHBondContact O-N 3.46Å; M69-H73 PolarHBondContact O-ND1 2.86Å; D70-H73 PolarHBondContact O-N 3.16Å; C71-H73 PolarHBondContact O-N 3.13Å; H73-K76 PolarHBondContact O-N 3.04Å; H73-A77 VanDerWaalsContact O-CB 3.29Å; H73-A77 WeakPolarHBondContact O-CB 3.34Å; H73-A77 PolarHBondContact O-N 3.24Å; H73-K124 PolarHBondContact NE2-O 3.42Å; H73-V126 PolarHBondContact CD2-N 3.1Å; H73-V126 VanDerWaalsContact CD2-N 3.3Å; H73-V126 WeakPolarHBondContact NE2-CG2 3.27Å; H73-V126 PolarHBondContact NE2-N 2.87Å; H73-I129 HydrophobicContact CB-CG2 3.99Å; H73-L130 HydrophobicContact CB-CD2 4.2Å
74L90.9Very high87.7Confident5 Ų547.9 Ų47.93%0.02624%0.238CC..Hα-helixtrans-63.5-45.4179.2-169.563.4000111.8F5 I17 M19 V50 D70 C71 A77 N78 L133F5-L74 HydrophobicContact CD2-CD2 3.96Å; F5-L74 HydrophobicContact CE1-CD1 4.37Å; F5-L74 HydrophobicContact CE2-CD2 4.11Å; F5-L74 HydrophobicContact CG-CD2 4.3Å; F5-L74 HydrophobicContact CZ-CD1 4.36Å; I17-L74 HydrophobicContact CG2-CD2 3.79Å; M19-L74 HydrophobicContact CE-CD1 3.61Å; M19-L74 HydrophobicContact CE-CD2 3.61Å; M19-L74 HydrophobicContact CE-CG 3.53Å; V50-L74 HydrophobicContact CG1-CD2 4.1Å; V50-L74 HydrophobicContact CG2-CD2 4.34Å; V50-L74 HydrophobicContact CG2-CG 4.36Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.01Å; C71-L74 WeakPolarHBondContact O-CB 3.38Å; C71-L74 PolarHBondContact O-N 3.27Å; L74-A77 PolarHBondContact O-N 2.84Å; L74-N78 PolarHBondContact O-N 3.36Å; L74-N78 PolarHBondContact O-ND2 2.83Å; L74-L133 HydrophobicContact CB-CD1 4.31Å; L74-L133 HydrophobicContact CD1-CD1 4.42Å
75V91Very high87.6Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-63-45.8176.11790000110.7F40 V42 V50 C71 A77 N78 S79 V90F40-V75 HydrophobicContact CB-CG2 3.65Å; V42-V75 HydrophobicContact CG2-CG1 3.61Å; V50-V75 HydrophobicContact CB-CG2 3.51Å; V50-V75 HydrophobicContact CG1-CG2 4.36Å; V50-V75 HydrophobicContact CG2-CB 4.33Å; V50-V75 HydrophobicContact CG2-CG2 3.37Å; C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 3.32Å; V75-A77 VanDerWaalsContact C-N 3.34Å; V75-A77 PolarHBondContact O-N 3.15Å; V75-N78 CarbonylContact O-C 3.58Å; V75-N78 PolarHBondContact O-N 3.44Å; V75-S79 PolarHBondContact O-N 2.89Å; V75-V90 HydrophobicContact CB-CG1 4.43Å; V75-V90 HydrophobicContact CG1-CG1 4.36Å
76K89.8Confident87.6Confident2 Ų247.4 Ų47.41%0.00924%0.24CC..Hα-helixtrans-60.6-42177-178.7177-179.4169.70111.9A72 H73 N78 S79 G82 C83 M85 V88 V122 E123A72-K76 VanDerWaalsContact O-CB 3.3Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.33Å; H73-K76 PolarHBondContact O-N 3.04Å; K76-N78 VanDerWaalsContact C-N 3.31Å; K76-N78 PolarHBondContact O-N 3.12Å; K76-S79 PolarHBondContact O-N 2.86Å; K76-G82 WeakPolarHBondContact CE-O 3.25Å; K76-G82 WeakPolarHBondContact CG-O 3.4Å; K76-C83 VanDerWaalsContact O-CA 3.3Å; K76-C83 WeakPolarHBondContact O-CA 3.3Å; K76-C83 PolarHBondContact O-N 2.81Å; K76-M85 WeakPolarHBondContact CE-O 3.45Å; K76-M85 PolarHBondContact NZ-O 3.15Å; K76-V88 HydrophobicContact CD-CB 4.22Å; K76-V88 HydrophobicContact CD-CG2 4.29Å; K76-V88 HydrophobicContact CG-CB 4.49Å; K76-V88 HydrophobicContact CG-CG2 4.48Å; K76-V122 HydrophobicContact CD-CB 4.16Å; K76-V122 HydrophobicContact CD-CG1 3.79Å; K76-V122 PolarHBondContact NZ-O 3.17Å; K76-V122 VanDerWaalsContact NZ-O 3.09Å; K76-E123 PolarHBondContact NZ-O 2.82Å
77A89.2Confident87.6Confident30 Ų3047.2 Ų47.225%0.24824%0.242CC..Hα-helixtrans-66.2-34.1178.700000112.5H73 L74 V75 S79 L130H73-A77 VanDerWaalsContact O-CB 3.29Å; H73-A77 WeakPolarHBondContact O-CB 3.34Å; H73-A77 PolarHBondContact O-N 3.24Å; L74-A77 PolarHBondContact O-N 2.84Å; V75-A77 VanDerWaalsContact C-N 3.34Å; V75-A77 PolarHBondContact O-N 3.15Å; A77-S79 VanDerWaalsContact C-N 3.31Å; A77-L130 HydrophobicContact CB-CD1 3.72Å; A77-L130 HydrophobicContact CB-CD2 3.68Å; A77-L130 HydrophobicContact CB-CG 4.37Å
78N88.7Confident87.6Confident75 Ų7547.6 Ų47.640%0.40124%0.244SC..THydrogen-bonded Turntrans-93.824.1177-67.7-76.3000113.1A48 L74 V75 K76A48-N78 HydrophobicContact CB-CB 3.65Å; A48-N78 PolarHBondContact N-O 3.44Å; L74-N78 PolarHBondContact O-N 3.36Å; L74-N78 PolarHBondContact O-ND2 2.83Å; V75-N78 CarbonylContact O-C 3.58Å; V75-N78 PolarHBondContact O-N 3.44Å; K76-N78 VanDerWaalsContact C-N 3.31Å; K76-N78 PolarHBondContact O-N 3.12Å
79S86.9Confident87.7Confident3 Ų349.3 Ų49.32%0.02125%0.254CS..BIsolated β-bridgetrans-106.6131169.3-179.30000110.5S46 V75 K76 A77 Q81 G82 C83S46-S79 PolarHBondContact O-OG 3.1Å; V75-S79 PolarHBondContact O-N 2.89Å; K76-S79 PolarHBondContact O-N 2.86Å; A77-S79 VanDerWaalsContact C-N 3.31Å; S79-Q81 VanDerWaalsContact C-N 3.31Å; S79-Q81 PolarHBondContact O-N 2.64Å; S79-G82 PolarHBondContact OG-N 3.23Å; S79-C83 VanDerWaalsContact O-CB 3.25Å; S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.38Å; S79-C83 PolarHBondContact O-SG 3.13Å
80I83.5Confident87.9Confident139 Ų13945.8 Ų45.871%0.71324%0.236SC*.THydrogen-bonded Turntrans-58.6-46-179.3-59.7172.3000110.5C83I80-C83 PolarHBondContact O-SG 3.18Å; I80-C83 VanDerWaalsContact O-SG 3.42Å
81Q84.7Confident88Confident113 Ų11346.1 Ų46.153%0.52824%0.238SC..THydrogen-bonded Turntrans-96.1-38.6-179.2-67.9-178.1-8.300112.1L45 S79 C83 K84 M85L45-Q81 HydrophobicContact CD2-CB 4.15Å; L45-Q81 VanDerWaalsContact CD2-OE1 3.25Å; S79-Q81 VanDerWaalsContact C-N 3.31Å; S79-Q81 PolarHBondContact O-N 2.64Å; Q81-C83 PolarHBondContact O-N 3.24Å; Q81-K84 PolarHBondContact O-N 3.15Å; Q81-M85 HydrophobicContact CB-CE 4.18Å
82G79.7Confident88.2Confident0 Ų047.2 Ų47.20%024%0.243CC..THydrogen-bonded Turntrans-65.3-23.9-176.200000114K76 S79 K84 M85K76-G82 WeakPolarHBondContact CE-O 3.25Å; K76-G82 WeakPolarHBondContact CG-O 3.4Å; S79-G82 PolarHBondContact OG-N 3.23Å; G82-K84 PolarHBondContact O-N 3.45Å; G82-M85 PolarHBondContact O-N 2.88Å
83C82.5Confident88.2Confident40 Ų4047.1 Ų47.127%0.2724%0.242SC..THydrogen-bonded Turntrans-63.7-27.6-178.866.70000114.1K76 S79 I80 Q81K76-C83 VanDerWaalsContact O-CA 3.3Å; K76-C83 WeakPolarHBondContact O-CA 3.3Å; K76-C83 PolarHBondContact O-N 2.81Å; S79-C83 VanDerWaalsContact O-CB 3.25Å; S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.38Å; S79-C83 PolarHBondContact O-SG 3.13Å; I80-C83 PolarHBondContact O-SG 3.18Å; I80-C83 VanDerWaalsContact O-SG 3.42Å; Q81-C83 PolarHBondContact O-N 3.24Å
84K83.3Confident88.4Confident184 Ų18448.3 Ų48.380%0.825%0.25SS*.THydrogen-bonded Turntrans-99.7-15.2-179.2-68.2177.5-177.2177.90113.4Q81 G82Q81-K84 PolarHBondContact O-N 3.15Å; G82-K84 PolarHBondContact O-N 3.45Å
85M84.9Confident88.3Confident86 Ų8650.8 Ų50.842%0.42426%0.259SS..  trans-82.3140.5-177.8-68-179.6-177.400110.9L45 K76 Q81 G82 V88L45-M85 HydrophobicContact CD1-SD 3.78Å; K76-M85 WeakPolarHBondContact CE-O 3.45Å; K76-M85 PolarHBondContact NZ-O 3.15Å; Q81-M85 HydrophobicContact CB-CE 4.18Å; G82-M85 PolarHBondContact O-N 2.88Å; M85-V88 HydrophobicContact CB-CG2 3.62Å; M85-V88 WeakPolarHBondContact O-CG2 3.3Å
86N85.8Confident88.2Confident112 Ų11254.6 Ų54.660%0.59929%0.286SS*.SBendtrans-87.8154.6166.2-63.3-33.3000109E123N86-E123 CarbonylContact C-O 3.51Å; N86-E123 VanDerWaalsContact CA-O 3.24Å; N86-E123 WeakPolarHBondContact CA-O 3.36Å
87N86.9Confident88.3Confident100 Ų10054.7 Ų54.754%0.53529%0.287SS..SBendtrans57.952.4178.1-53.7-33.2000113.1T121 V122 E123N87-T121 HydrophobicContact CB-CG2 4.35Å; N87-V122 WeakPolarHBondContact CA-O 3.5Å; N87-V122 PolarHBondContact N-O 3.48Å; N87-E123 PolarHBondContact N-O 3.13Å; N87-E123 WeakPolarHBondContact OD1-CA 3.24Å
88V89.8Confident88.4Confident7 Ų754 Ų544%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-85.2129.1179.2177.40000109.4V42 K76 M85 V122V42-V88 HydrophobicContact CB-CG1 4.37Å; V42-V88 HydrophobicContact CG1-CG1 3.29Å; V42-V88 HydrophobicContact CG2-CG1 4.15Å; K76-V88 HydrophobicContact CD-CB 4.22Å; K76-V88 HydrophobicContact CD-CG2 4.29Å; K76-V88 HydrophobicContact CG-CB 4.49Å; K76-V88 HydrophobicContact CG-CG2 4.48Å; M85-V88 HydrophobicContact CB-CG2 3.62Å; M85-V88 WeakPolarHBondContact O-CG2 3.3Å; V88-V122 PolarHBondContact N-O 3.04Å; V88-V122 PolarHBondContact O-N 3.32Å
89N92.6Very high88.4Confident60 Ų6054.9 Ų54.932%0.32128%0.279SS..EExtended strand (participates in β ladder)trans-85.3122.2175.1-70-17.6000109.9D43 I119 T121D43-N89 HydrophobicContact CB-CB 4.03Å; D43-N89 PolarHBondContact N-O 2.92Å; N89-I119 HydrophobicContact CB-CG2 3.82Å; N89-T121 PolarHBondContact OD1-OG1 3.16Å
90V92.6Very high88.4Confident0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-104.1121.4173.2-178.80000107.9F40 H41 A72 V75 I119 V120 V122F40-V90 HydrophobicContact CB-CG1 4.43Å; F40-V90 HydrophobicContact CD1-CG1 4.17Å; H41-V90 CarbonylContact O-C 3.55Å; H41-V90 WeakPolarHBondContact O-CA 3.44Å; H41-V90 WeakPolarHBondContact O-CG1 3.46Å; A72-V90 HydrophobicContact CB-CB 4.26Å; A72-V90 HydrophobicContact CB-CG1 4.36Å; A72-V90 HydrophobicContact CB-CG2 4.09Å; V75-V90 HydrophobicContact CB-CG1 4.43Å; V75-V90 HydrophobicContact CG1-CG1 4.36Å; V90-I119 WeakPolarHBondContact O-CA 3.31Å; V90-V120 PolarHBondContact N-O 3Å; V90-V120 PolarHBondContact O-N 3.11Å; V90-V122 HydrophobicContact CG2-CG2 4.16Å
91V93.2Very high88.6Confident8 Ų853.4 Ų53.45%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-84.7141.2171.8-68.50000109.5W39 F40 H41 D43 V117 K118 I119W39-V91 HydrophobicContact CH2-CG2 4.48Å; W39-V91 HydrophobicContact CZ3-CG2 3.94Å; F40-V91 WeakPolarHBondContact CA-O 3.37Å; H41-V91 HydrophobicContact CB-CG2 3.99Å; H41-V91 PolarHBondContact N-O 2.99Å; H41-V91 WeakPolarHBondContact O-CG2 3.17Å; H41-V91 PolarHBondContact O-N 3.44Å; D43-V91 HydrophobicContact CB-CG1 4.05Å; V91-V117 HydrophobicContact CB-CG1 3.94Å; V91-V117 HydrophobicContact CG1-CG1 3.99Å; V91-K118 CarbonylContact C-O 3.56Å; V91-K118 WeakPolarHBondContact CA-O 3.37Å; V91-I119 HydrophobicContact CG1-CG1 4.02Å
92Y93.7Very high88.5Confident23 Ų2353 Ų539%0.0929%0.287CS..EExtended strand (participates in β ladder)trans-141.2140.5171.865.1-73.5000111.2I38 W39 F40 I60 L68 K118 V120I38-Y92 HydrophobicContact CG2-CD2 4.22Å; W39-Y92 CarbonylContact O-C 3.53Å; W39-Y92 WeakPolarHBondContact O-CA 3.41Å; F40-Y92 HydrophobicContact CD1-CG 4.17Å; F40-Y92 HydrophobicContact CE1-CD1 4.33Å; F40-Y92 HydrophobicContact CE1-CD2 4.16Å; F40-Y92 AromaticContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CZ-CD2 4.29Å; F40-Y92 HydrophobicContact CZ-CG 4.26Å; I60-Y92 HydrophobicContact CD1-CD2 3.58Å; I60-Y92 HydrophobicContact CD1-CE2 3.79Å; I60-Y92 HydrophobicContact CG1-CD2 3.79Å; I60-Y92 HydrophobicContact CG1-CE2 3.64Å; L68-Y92 HydrophobicContact CD1-CD1 4.41Å; L68-Y92 HydrophobicContact CD1-CD2 4Å; L68-Y92 HydrophobicContact CD1-CE1 4.26Å; L68-Y92 HydrophobicContact CD1-CE2 3.8Å; L68-Y92 HydrophobicContact CD1-CG 4.31Å; Y92-K118 HydrophobicContact CD1-CB 3.99Å; Y92-K118 VanDerWaalsContact CD1-O 3.27Å; Y92-K118 WeakPolarHBondContact CD1-O 3.43Å; Y92-K118 HydrophobicContact CD2-CB 4.2Å; Y92-K118 HydrophobicContact CE1-CB 3.37Å; Y92-K118 HydrophobicContact CE2-CB 3.65Å; Y92-K118 HydrophobicContact CE2-CD 3.92Å; Y92-K118 HydrophobicContact CE2-CG 4.31Å; Y92-K118 HydrophobicContact CG-CB 4.35Å; Y92-K118 PolarHBondContact N-O 2.84Å; Y92-K118 PolarHBondContact O-N 3.19Å; Y92-K118 WeakPolarHBondContact OH-CB 3.19Å; Y92-K118 WeakPolarHBondContact OH-CD 3.49Å; Y92-V120 HydrophobicContact CD1-CG2 4.09Å; Y92-V120 HydrophobicContact CE1-CB 4.22Å; Y92-V120 HydrophobicContact CE1-CG2 3.32Å
93T93.1Very high88.9Confident0 Ų060.4 Ų60.40%033%0.327CS..EExtended strand (participates in β ladder)trans-154.1149.4-174.3-159.40000109.6W39 N97 L98 F111 D116W39-T93 HydrophobicContact CE3-CG2 4.04Å; W39-T93 PolarHBondContact N-O 3.34Å; W39-T93 PolarHBondContact O-N 3.41Å; T93-N97 HydrophobicContact CG2-CB 4.5Å; T93-N97 PolarHBondContact OG1-ND2 3.4Å; T93-L98 HydrophobicContact CG2-CD2 3.46Å; T93-L98 VanDerWaalsContact CG2-CD2 3.46Å; T93-L98 HydrophobicContact CG2-CG 4.5Å; T93-F111 HydrophobicContact CG2-CD1 3.94Å; T93-F111 HydrophobicContact CG2-CE1 3.81Å; T93-D116 PolarHBondContact OG1-O 2.93Å
94P92.8Very high89.1Confident28 Ų2860.1 Ų60.118%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-61.2147.1175.226.1-35.6000111.3I38 S96 N97I38-P94 HydrophobicContact CD1-CB 4Å; P94-S96 PolarHBondContact O-N 3.34Å; P94-S96 VanDerWaalsContact O-N 3.15Å; P94-N97 HydrophobicContact CG-CB 4.13Å; P94-N97 WeakPolarHBondContact O-CB 3.26Å; P94-N97 PolarHBondContact O-N 3.43Å
95W90.2Very high89.2Confident57 Ų5757.5 Ų57.522%0.21632%0.316CS..G310 helixtrans-54.4-35.8179.7176.686.7000112.4I30 G33 W34 D37 N97 L98I30-W95 WeakPolarHBondContact O-CZ2 3.41Å; I30-W95 PolarHBondContact O-NE1 3.42Å; G33-W95 WeakPolarHBondContact O-CZ2 3.44Å; W34-W95 WeakPolarHBondContact O-CB 3.34Å; D37-W95 HydrophobicContact CB-CB 4.23Å; D37-W95 WeakPolarHBondContact O-CB 3.41Å; D37-W95 PolarHBondContact O-N 2.91Å; W95-N97 PolarHBondContact O-N 3.21Å; W95-N97 VanDerWaalsContact O-N 3.13Å; W95-L98 WeakPolarHBondContact O-CB 3.12Å; W95-L98 WeakPolarHBondContact O-CG 3.44Å; W95-L98 PolarHBondContact O-N 2.98Å
96S88.8Confident89Confident79 Ų7956.6 Ų56.655%0.55232%0.316SS*.G310 helixtrans-60.2-21.2176.357.10000114.4P94P94-S96 PolarHBondContact O-N 3.34Å; P94-S96 VanDerWaalsContact O-N 3.15Å
97N91.8Very high88.7Confident5 Ų552.3 Ų52.33%0.02730%0.298CS..G310 helixtrans-88.9-10.4178-16936.2000113.1T93 P94 W95 F111 H112 R113T93-N97 HydrophobicContact CG2-CB 4.5Å; T93-N97 PolarHBondContact OG1-ND2 3.4Å; P94-N97 HydrophobicContact CG-CB 4.13Å; P94-N97 WeakPolarHBondContact O-CB 3.26Å; P94-N97 PolarHBondContact O-N 3.43Å; W95-N97 PolarHBondContact O-N 3.21Å; W95-N97 VanDerWaalsContact O-N 3.13Å; N97-F111 WeakPolarHBondContact O-CA 3.22Å; N97-H112 PolarHBondContact O-N 2.89Å; N97-H112 PolarHBondContact O-ND1 2.92Å; N97-H112 WeakPolarHBondContact OD1-CB 3.09Å; N97-H112 PolarHBondContact OD1-N 3.48Å; N97-R113 PolarHBondContact ND2-O 2.88Å; N97-R113 PolarHBondContact OD1-N 2.78Å; N97-R113 PolarHBondContact OD1-O 2.87Å
98L90Very high88.6Confident16 Ų1652.2 Ų52.28%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-71.1131.8180-57.5-175.8000111W39 T93 W95 I109 F111 H112W39-L98 HydrophobicContact CB-CD1 3.83Å; W39-L98 HydrophobicContact CB-CD2 4.14Å; W39-L98 HydrophobicContact CB-CG 4.4Å; W39-L98 HydrophobicContact CD2-CD1 4.41Å; W39-L98 HydrophobicContact CD2-CD2 3.92Å; W39-L98 HydrophobicContact CE3-CD2 3.92Å; W39-L98 HydrophobicContact CG-CD1 3.84Å; W39-L98 HydrophobicContact CG-CD2 4.08Å; T93-L98 HydrophobicContact CG2-CD2 3.46Å; T93-L98 VanDerWaalsContact CG2-CD2 3.46Å; T93-L98 HydrophobicContact CG2-CG 4.5Å; W95-L98 WeakPolarHBondContact O-CB 3.12Å; W95-L98 WeakPolarHBondContact O-CG 3.44Å; W95-L98 PolarHBondContact O-N 2.98Å; L98-I109 HydrophobicContact CB-CG2 4.16Å; L98-I109 HydrophobicContact CD2-CG2 3.91Å; L98-I109 HydrophobicContact CG-CG2 4.47Å; L98-F111 HydrophobicContact CD2-CD1 4.18Å; L98-F111 HydrophobicContact CD2-CE1 4.01Å; L98-H112 PolarHBondContact O-CE1 2.95Å; L98-H112 PolarHBondContact O-ND1 3.01Å
99K89.6Confident88.4Confident93 Ų9353 Ų5340%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-118.7115.1177.5-171.7177.2177.9-1780109.6T101 G110K99-T101 HydrophobicContact CG-CG2 4.42Å; K99-G110 PolarHBondContact N-O 2.99Å; K99-G110 CarbonylContact O-C 3.6Å; K99-G110 WeakPolarHBondContact O-CA 3.35Å; K99-G110 PolarHBondContact O-N 3.17Å
100K86.1Confident88.2Confident62 Ų6251.1 Ų51.127%0.2729%0.292SS..  trans-110.3117.8169.7-175.472.7-174.9-164.10108.8E27 M104 D105 Q108E27-K100 WeakPolarHBondContact OE1-CE 3.36Å; E27-K100 IonicContact OE1-NZ 3.44Å; E27-K100 PolarHBondContact OE1-NZ 2.79Å; E27-K100 WeakPolarHBondContact OE2-CE 3.26Å; E27-K100 IonicContact OE2-NZ 3.17Å; K100-M104 HydrophobicContact CD-CB 4.36Å; K100-M104 WeakPolarHBondContact CE-O 3.28Å; K100-M104 PolarHBondContact NZ-O 2.88Å; K100-D105 PolarHBondContact NZ-O 2.69Å; K100-Q108 VanDerWaalsContact CD-O 3.28Å; K100-Q108 WeakPolarHBondContact CD-O 3.49Å; K100-Q108 PolarHBondContact NZ-O 3.35Å
101T87.6Confident88.2Confident48 Ų4854.1 Ų54.129%0.29431%0.306SS..  trans-98.4154.1169.256.70000109.9K99 D103 M104K99-T101 HydrophobicContact CG-CG2 4.42Å; T101-D103 PolarHBondContact O-N 2.87Å; T101-M104 WeakPolarHBondContact O-CB 3.38Å; T101-M104 PolarHBondContact O-N 3.34Å; T101-M104 VanDerWaalsContact O-N 3.1Å; T101-M104 WeakPolarHBondContact OG1-CG 3.41Å; T101-M104 PolarHBondContact OG1-SD 3.06Å; T101-M104 VanDerWaalsContact OG1-SD 3.34Å
102A84.2Confident88.1Confident106 Ų10659.2 Ų59.288%0.87633%0.329SS*.THydrogen-bonded Turntrans-62.5-25.5-179.300000112.7M104A102-M104 PolarHBondContact O-N 2.82Å
103D88.3Confident88Confident155 Ų15566.1 Ų66.183%0.82936%0.355SS*.THydrogen-bonded Turntrans-76.2-6.8177.9-45.9-60000113.6T101T101-D103 PolarHBondContact O-N 2.87Å
104M86.2Confident87.9Confident34 Ų3474 Ų7417%0.16739%0.391CS..SBendtrans-92132.1-176.7-69.6175.583.200111.6K100 T101 A102 Q108 I109 G110K100-M104 HydrophobicContact CD-CB 4.36Å; K100-M104 WeakPolarHBondContact CE-O 3.28Å; K100-M104 PolarHBondContact NZ-O 2.88Å; T101-M104 WeakPolarHBondContact O-CB 3.38Å; T101-M104 PolarHBondContact O-N 3.34Å; T101-M104 VanDerWaalsContact O-N 3.1Å; T101-M104 WeakPolarHBondContact OG1-CG 3.41Å; T101-M104 PolarHBondContact OG1-SD 3.06Å; T101-M104 VanDerWaalsContact OG1-SD 3.34Å; A102-M104 PolarHBondContact O-N 2.82Å; M104-Q108 HydrophobicContact CB-CB 4.27Å; M104-Q108 HydrophobicContact CE-CB 4.09Å; M104-Q108 HydrophobicContact CE-CG 3.51Å; M104-I109 VanDerWaalsContact CE-C 3.46Å; M104-G110 VanDerWaalsContact CE-N 3.35Å
105D83.9Confident87.8Confident128 Ų12882.2 Ų82.268%0.68442%0.424SS*.PPolyproline II helixtrans-56.3153.2177.9-77.2-43000112.5K100 G107 Q108K100-D105 PolarHBondContact NZ-O 2.69Å; D105-G107 PolarHBondContact O-N 2.78Å; D105-Q108 VanDerWaalsContact O-CB 3.32Å; D105-Q108 WeakPolarHBondContact O-CB 3.32Å; D105-Q108 PolarHBondContact O-N 3.28Å
106V81.7Confident87.7Confident68 Ų6882.5 Ų82.541%0.41243%0.43SS..THydrogen-bonded Turntrans-56.3120.9178.4-174.80000109.9K23 E27K23-V106 HydrophobicContact CB-CG1 3.9Å; K23-V106 HydrophobicContact CD-CB 4.27Å; K23-V106 HydrophobicContact CD-CG1 3.89Å; K23-V106 HydrophobicContact CG-CG1 3.69Å; E27-V106 HydrophobicContact CG-CG1 3.77Å
107G79.1Confident87.9Confident22 Ų2280.1 Ų80.123%0.22741%0.412CS..THydrogen-bonded Turntrans92.7-14.4-174.700000115.6E27 H49 D105E27-G107 PolarHBondContact OE1-N 3.06Å; H49-G107 PolarHBondContact CE1-O 2.94Å; H49-G107 VanDerWaalsContact CE1-O 3.32Å; D105-G107 PolarHBondContact O-N 2.78Å
108Q84.3Confident87.9Confident98 Ų9882.8 Ų82.846%0.45842%0.424SS..  trans-78.5130.1172.1-162.9-168.8-1.400110.2K100 M104 D105K100-Q108 VanDerWaalsContact CD-O 3.28Å; K100-Q108 WeakPolarHBondContact CD-O 3.49Å; K100-Q108 PolarHBondContact NZ-O 3.35Å; M104-Q108 HydrophobicContact CB-CB 4.27Å; M104-Q108 HydrophobicContact CE-CB 4.09Å; M104-Q108 HydrophobicContact CE-CG 3.51Å; D105-Q108 VanDerWaalsContact O-CB 3.32Å; D105-Q108 WeakPolarHBondContact O-CB 3.32Å; D105-Q108 PolarHBondContact O-N 3.28Å
109I86.6Confident88Confident24 Ų2486.7 Ų86.712%0.12344%0.443CS..  trans-127.9136.1179.7-59.8179.1000109.8I30 W39 H49 L98 M104I30-I109 HydrophobicContact CD1-CD1 3.37Å; I30-I109 HydrophobicContact CD1-CG1 3.83Å; I30-I109 HydrophobicContact CG1-CD1 3.97Å; W39-I109 HydrophobicContact CZ2-CB 4.46Å; W39-I109 HydrophobicContact CZ2-CD1 3.65Å; H49-I109 WeakPolarHBondContact CE1-CD1 3.35Å; H49-I109 WeakPolarHBondContact ND1-CD1 3.5Å; L98-I109 HydrophobicContact CB-CG2 4.16Å; L98-I109 HydrophobicContact CD2-CG2 3.91Å; L98-I109 HydrophobicContact CG-CG2 4.47Å; M104-I109 VanDerWaalsContact CE-C 3.46Å
110G89.2Confident88.1Confident19 Ų1983.3 Ų83.320%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-103174170.800000111.5K99 M104K99-G110 PolarHBondContact N-O 2.99Å; K99-G110 CarbonylContact O-C 3.6Å; K99-G110 WeakPolarHBondContact O-CA 3.35Å; K99-G110 PolarHBondContact O-N 3.17Å; M104-G110 VanDerWaalsContact CE-N 3.35Å
111F92Very high88.4Confident63 Ų6384.1 Ų84.128%0.27644%0.441SS..EExtended strand (participates in β ladder)trans-120.7141.1176.7-53-63.1000110.1W39 T93 N97 L98 V117W39-F111 HydrophobicContact CE3-CE1 4.14Å; W39-F111 HydrophobicContact CH2-CE1 4.23Å; W39-F111 HydrophobicContact CH2-CZ 4.08Å; W39-F111 AromaticContact CZ3-CE1 3.58Å; W39-F111 HydrophobicContact CZ3-CE1 3.58Å; W39-F111 AromaticContact CZ3-CZ 3.63Å; W39-F111 HydrophobicContact CZ3-CZ 3.63Å; T93-F111 HydrophobicContact CG2-CD1 3.94Å; T93-F111 HydrophobicContact CG2-CE1 3.81Å; N97-F111 WeakPolarHBondContact O-CA 3.22Å; L98-F111 HydrophobicContact CD2-CD1 4.18Å; L98-F111 HydrophobicContact CD2-CE1 4.01Å; F111-V117 HydrophobicContact CB-CG2 4.17Å; F111-V117 HydrophobicContact CD1-CG2 4Å; F111-V117 HydrophobicContact CD2-CG2 3.93Å; F111-V117 HydrophobicContact CE1-CG2 4.41Å; F111-V117 HydrophobicContact CE2-CG2 4.34Å; F111-V117 HydrophobicContact CG-CG2 3.75Å
112H90.4Very high88.4Confident115 Ų11581.9 Ų81.953%0.53243%0.427SS..SBendtrans-71.1-45.1172.7-69.592.5000111N97 L98N97-H112 PolarHBondContact O-N 2.89Å; N97-H112 PolarHBondContact O-ND1 2.92Å; N97-H112 WeakPolarHBondContact OD1-CB 3.09Å; N97-H112 PolarHBondContact OD1-N 3.48Å; L98-H112 PolarHBondContact O-CE1 2.95Å; L98-H112 PolarHBondContact O-ND1 3.01Å
113R92Very high88.4Confident169 Ų16983 Ų8364%0.63841%0.414SS*.  trans-129.3113.1-178.3-66.1176.1178.4-173.43.5109.4N97 K115 D116N97-R113 PolarHBondContact ND2-O 2.88Å; N97-R113 PolarHBondContact OD1-N 2.78Å; N97-R113 PolarHBondContact OD1-O 2.87Å; R113-K115 PolarHBondContact O-N 2.72Å; R113-D116 HydrophobicContact CB-CB 4.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.34Å; R113-D116 WeakPolarHBondContact CD-OD2 3.28Å; R113-D116 PolarHBondContact O-N 2.63Å
114Q90.7Very high88.2Confident165 Ų16582.8 Ų82.877%0.77141%0.406SS*.G310 helixtrans-65.5-22.8175.2-70.1-174.5-10.700112.9D116 V117Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 3.15Å; Q114-V117 WeakPolarHBondContact O-CB 3.49Å; Q114-V117 PolarHBondContact O-N 2.89Å
115K90.5Very high87.8Confident200 Ų20085.8 Ų85.887%0.8742%0.418SS*.G310 helixtrans-66.7-26.9177.6-64.4-175.1178.6-176.40113.3R113 V117R113-K115 PolarHBondContact O-N 2.72Å; K115-V117 VanDerWaalsContact C-N 3.26Å
116D89Confident87.8Confident64 Ų6482.3 Ų82.334%0.34240%0.401SS..G310 helixtrans-90.15.8-178.8-56.5-24.6000111.7T93 R113 Q114T93-D116 PolarHBondContact OG1-O 2.93Å; R113-D116 HydrophobicContact CB-CB 4.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.34Å; R113-D116 WeakPolarHBondContact CD-OD2 3.28Å; R113-D116 PolarHBondContact O-N 2.63Å; Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 3.15Å
117V91.6Very high88Confident29 Ų2983.4 Ų83.418%0.17641%0.405CS..  trans-93.3115.2174.3-176.30000108.1V91 F111 Q114 K115V91-V117 HydrophobicContact CB-CG1 3.94Å; V91-V117 HydrophobicContact CG1-CG1 3.99Å; F111-V117 HydrophobicContact CB-CG2 4.17Å; F111-V117 HydrophobicContact CD1-CG2 4Å; F111-V117 HydrophobicContact CD2-CG2 3.93Å; F111-V117 HydrophobicContact CE1-CG2 4.41Å; F111-V117 HydrophobicContact CE2-CG2 4.34Å; F111-V117 HydrophobicContact CG-CG2 3.75Å; Q114-V117 WeakPolarHBondContact O-CB 3.49Å; Q114-V117 PolarHBondContact O-N 2.89Å; K115-V117 VanDerWaalsContact C-N 3.26Å
118K93Very high88.3Confident61 Ų6189.8 Ų89.827%0.26543%0.429SS..EExtended strand (participates in β ladder)trans-98.9151.8174.7-64.2-171.4178.7-170.40109.5I60 E61 V91 Y92I60-K118 HydrophobicContact CD1-CD 4.31Å; I60-K118 HydrophobicContact CG1-CD 4.33Å; I60-K118 HydrophobicContact CG2-CD 4.45Å; E61-K118 IonicContact OE1-NZ 3.69Å; E61-K118 PolarHBondContact OE1-NZ 3.14Å; V91-K118 CarbonylContact C-O 3.56Å; V91-K118 WeakPolarHBondContact CA-O 3.37Å; Y92-K118 HydrophobicContact CD1-CB 3.99Å; Y92-K118 VanDerWaalsContact CD1-O 3.27Å; Y92-K118 WeakPolarHBondContact CD1-O 3.43Å; Y92-K118 HydrophobicContact CD2-CB 4.2Å; Y92-K118 HydrophobicContact CE1-CB 3.37Å; Y92-K118 HydrophobicContact CE2-CB 3.65Å; Y92-K118 HydrophobicContact CE2-CD 3.92Å; Y92-K118 HydrophobicContact CE2-CG 4.31Å; Y92-K118 HydrophobicContact CG-CB 4.35Å; Y92-K118 PolarHBondContact N-O 2.84Å; Y92-K118 PolarHBondContact O-N 3.19Å; Y92-K118 WeakPolarHBondContact OH-CB 3.19Å; Y92-K118 WeakPolarHBondContact OH-CD 3.49Å
119I92.7Very high88.4Confident97 Ų9786.4 Ų86.450%0.49741%0.414SS..EExtended strand (participates in β ladder)trans-122.9134.2-178.4-60.1168.7000109.1N89 V90 V91N89-I119 HydrophobicContact CB-CG2 3.82Å; V90-I119 WeakPolarHBondContact O-CA 3.31Å; V91-I119 HydrophobicContact CG1-CG1 4.02Å
120V91.7Very high88.4Confident23 Ų2386.3 Ų86.314%0.13941%0.413CS..EExtended strand (participates in β ladder)trans-120.6126.8170.7167.70000108.7L68 M69 A72 V90 Y92 V122L68-V120 HydrophobicContact CD1-CG2 4.41Å; L68-V120 HydrophobicContact CD2-CG2 3.49Å; L68-V120 VanDerWaalsContact CD2-CG2 3.49Å; L68-V120 HydrophobicContact CG-CG2 3.98Å; M69-V120 HydrophobicContact SD-CG1 4.49Å; A72-V120 HydrophobicContact CB-CG1 4.39Å; V90-V120 PolarHBondContact N-O 3Å; V90-V120 PolarHBondContact O-N 3.11Å; Y92-V120 HydrophobicContact CD1-CG2 4.09Å; Y92-V120 HydrophobicContact CE1-CB 4.22Å; Y92-V120 HydrophobicContact CE1-CG2 3.32Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
121T91.4Very high88.4Confident78 Ų7890.3 Ų90.348%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-91124.1176.7-55.80000110N87 N89N87-T121 HydrophobicContact CB-CG2 4.35Å; N89-T121 PolarHBondContact OD1-OG1 3.16Å
122V88Confident88.2Confident1 Ų191.4 Ų91.41%0.00643%0.432CS..EExtended strand (participates in β ladder)trans-106.1103.7176.5-175.80000109.5A72 K76 N87 V88 V90 V120A72-V122 HydrophobicContact CB-CG2 3.48Å; A72-V122 VanDerWaalsContact CB-CG2 3.48Å; K76-V122 HydrophobicContact CD-CB 4.16Å; K76-V122 HydrophobicContact CD-CG1 3.79Å; K76-V122 PolarHBondContact NZ-O 3.17Å; K76-V122 VanDerWaalsContact NZ-O 3.09Å; N87-V122 WeakPolarHBondContact CA-O 3.5Å; N87-V122 PolarHBondContact N-O 3.48Å; V88-V122 PolarHBondContact N-O 3.04Å; V88-V122 PolarHBondContact O-N 3.32Å; V90-V122 HydrophobicContact CG2-CG2 4.16Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
123E84.6Confident88Confident131 Ų13186 Ų8661%0.61241%0.407SS*.  trans-62.8-62-176.4-61-171.9151.900112K76 N86 N87K76-E123 PolarHBondContact NZ-O 2.82Å; N86-E123 CarbonylContact C-O 3.51Å; N86-E123 VanDerWaalsContact CA-O 3.24Å; N86-E123 WeakPolarHBondContact CA-O 3.36Å; N87-E123 PolarHBondContact N-O 3.13Å; N87-E123 WeakPolarHBondContact OD1-CA 3.24Å
124K83.3Confident87.8Confident150 Ų15082.9 Ų82.965%0.65240%0.4SS*.SBendtrans-122.7154.6-175.2-67-178.4-177.2174.80111.1H73 V126H73-K124 PolarHBondContact NE2-O 3.42Å; K124-V126 PolarHBondContact O-N 3.15Å
125K78.3Confident87.7Confident97 Ų9783.7 Ų83.742%0.42240%0.401SS..  trans-76.4112.3173-176.6-177.4179.7-177.20108.9N127 L130K125-N127 WeakPolarHBondContact CD-OD1 3.32Å; K125-N127 VanDerWaalsContact CE-OD1 3.23Å; K125-N127 WeakPolarHBondContact CE-OD1 3.37Å; K125-N127 PolarHBondContact O-N 2.9Å; K125-L130 HydrophobicContact CD-CD1 4.15Å; K125-L130 HydrophobicContact CG-CD1 3.91Å
126V84.4Confident87.6Confident55 Ų5576.1 Ų76.133%0.33337%0.371SS..  trans-87.5102.2171.3-177.40000109.2H73 K124 E128 I129H73-V126 PolarHBondContact CD2-N 3.1Å; H73-V126 VanDerWaalsContact CD2-N 3.3Å; H73-V126 WeakPolarHBondContact NE2-CG2 3.27Å; H73-V126 PolarHBondContact NE2-N 2.87Å; K124-V126 PolarHBondContact O-N 3.15Å; V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 HydrophobicContact CG1-CB 4.12Å; V126-E128 PolarHBondContact O-N 2.91Å; V126-I129 HydrophobicContact CB-CB 4.47Å; V126-I129 HydrophobicContact CB-CD1 3.98Å; V126-I129 HydrophobicContact CB-CG1 4.28Å; V126-I129 HydrophobicContact CG1-CB 4.29Å; V126-I129 HydrophobicContact CG1-CD1 3.92Å; V126-I129 HydrophobicContact CG1-CG1 3.84Å; V126-I129 PolarHBondContact O-N 2.88Å
127N84.3Confident87.6Confident91 Ų9176.1 Ų76.149%0.48737%0.368SS..Hα-helixtrans-66.8-26.4-179.1-68.7-34000112.9K125 L130 N131K125-N127 WeakPolarHBondContact CD-OD1 3.32Å; K125-N127 VanDerWaalsContact CE-OD1 3.23Å; K125-N127 WeakPolarHBondContact CE-OD1 3.37Å; K125-N127 PolarHBondContact O-N 2.9Å; N127-L130 PolarHBondContact O-N 3.45Å; N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 2.87Å; N127-N131 PolarHBondContact O-ND2 2.79Å
128E87.3Confident87.5Confident156 Ų15677.8 Ų77.873%0.72938%0.379SS*.Hα-helixtrans-61.4-45.1178.2-174.4177.2-179.600112.1V126 L130 N131 R132V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 HydrophobicContact CG1-CB 4.12Å; V126-E128 PolarHBondContact O-N 2.91Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.37Å; E128-N131 PolarHBondContact O-N 2.71Å; E128-R132 WeakPolarHBondContact O-CB 3.26Å; E128-R132 PolarHBondContact O-N 3.38Å
129I85.8Confident87.3Confident27 Ų2780.1 Ų80.114%0.13839%0.39CS..Hα-helixtrans-59.2-47.1175.4-71.7174.5000110.5D70 H73 V126 R132 L133D70-I129 HydrophobicContact CB-CG2 4.39Å; D70-I129 WeakPolarHBondContact OD1-CG2 3.33Å; H73-I129 HydrophobicContact CB-CG2 3.99Å; V126-I129 HydrophobicContact CB-CB 4.47Å; V126-I129 HydrophobicContact CB-CD1 3.98Å; V126-I129 HydrophobicContact CB-CG1 4.28Å; V126-I129 HydrophobicContact CG1-CB 4.29Å; V126-I129 HydrophobicContact CG1-CD1 3.92Å; V126-I129 HydrophobicContact CG1-CG1 3.84Å; V126-I129 PolarHBondContact O-N 2.88Å; I129-R132 WeakPolarHBondContact O-CB 3.39Å; I129-R132 PolarHBondContact O-N 2.79Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 WeakPolarHBondContact O-CG 3.33Å; I129-L133 PolarHBondContact O-N 3.19Å
130L86.1Confident87Confident21 Ų2182.9 Ų82.911%0.1139%0.394CS..Hα-helixtrans-64.6-43.1179.9-65.4173.7000112H73 A77 K125 N127 E128 R132 L133 E134H73-L130 HydrophobicContact CB-CD2 4.2Å; A77-L130 HydrophobicContact CB-CD1 3.72Å; A77-L130 HydrophobicContact CB-CD2 3.68Å; A77-L130 HydrophobicContact CB-CG 4.37Å; K125-L130 HydrophobicContact CD-CD1 4.15Å; K125-L130 HydrophobicContact CG-CD1 3.91Å; N127-L130 PolarHBondContact O-N 3.45Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.37Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 2.81Å; L130-E134 WeakPolarHBondContact O-CB 3.44Å; L130-E134 PolarHBondContact O-N 2.86Å
131N88.7Confident86.4Confident103 Ų10389.4 Ų89.455%0.55142%0.421SS*.Hα-helixtrans-64.3-34.1177.3-71.6-14.8000111.8N127 E128 K135N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 2.87Å; N127-N131 PolarHBondContact O-ND2 2.79Å; E128-N131 PolarHBondContact O-N 2.71Å; N131-K135 WeakPolarHBondContact O-CG 3.23Å; N131-K135 PolarHBondContact O-N 3.05Å
132R88.2Confident85.5Confident86 Ų8687.2 Ų87.233%0.32541%0.408SS..Hα-helixtrans-66.8-45.7173.8179.4178.162.7169-2.7111.6S9 D70 E128 I129 L130 K135S9-R132 PolarHBondContact OG-NH1 2.82Å; S9-R132 PolarHBondContact OG-NH2 2.98Å; D70-R132 VanDerWaalsContact CG-NH2 3.29Å; D70-R132 IonicContact OD1-CZ 3.8Å; D70-R132 IonicContact OD1-NH2 2.84Å; D70-R132 PolarHBondContact OD1-NH2 2.87Å; D70-R132 IonicContact OD2-CZ 2.93Å; D70-R132 IonicContact OD2-NH2 2.69Å; D70-R132 PolarHBondContact OD2-NH2 2.92Å; D70-R132 VanDerWaalsContact OD2-NH2 3.13Å; E128-R132 WeakPolarHBondContact O-CB 3.26Å; E128-R132 PolarHBondContact O-N 3.38Å; I129-R132 WeakPolarHBondContact O-CB 3.39Å; I129-R132 PolarHBondContact O-N 2.79Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.88Å; R132-K135 PolarHBondContact O-N 2.88Å
133L86.6Confident85Confident2 Ų292.1 Ų92.11%0.0143%0.434CS..Hα-helixtrans-67.3-41.2178.7-67.5170000111.8F5 I17 D70 L74 I129 L130 K135 T136 K137F5-L133 HydrophobicContact CD1-CB 4.23Å; F5-L133 WeakPolarHBondContact CD1-O 3Å; I17-L133 HydrophobicContact CD1-CD2 4.35Å; D70-L133 HydrophobicContact CB-CD1 4Å; D70-L133 HydrophobicContact CB-CD2 4.28Å; L74-L133 HydrophobicContact CB-CD1 4.31Å; L74-L133 HydrophobicContact CD1-CD1 4.42Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 WeakPolarHBondContact O-CG 3.33Å; I129-L133 PolarHBondContact O-N 3.19Å; L130-L133 PolarHBondContact O-N 2.81Å; L133-K135 PolarHBondContact O-N 3.17Å; L133-T136 CarbonylContact O-C 3.6Å; L133-T136 PolarHBondContact O-N 2.77Å; L133-T136 PolarHBondContact O-OG1 2.86Å; L133-T136 VanDerWaalsContact O-OG1 3.07Å; L133-K137 PolarHBondContact O-N 2.82Å
134E87.6Confident84.4Confident103 Ų10386.9 Ų86.948%0.48141%0.411SS..Hα-helixtrans-61.5-29.8179.8-163.567.5-161.100111.8L130 T136 K137L130-E134 WeakPolarHBondContact O-CB 3.44Å; L130-E134 PolarHBondContact O-N 2.86Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; E134-K137 VanDerWaalsContact O-CB 3.25Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.83Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.15Å; E134-K137 PolarHBondContact OE1-NZ 3.01Å
135K88.5Confident83.8Confident182 Ų18281.8 Ų81.879%0.79140%0.396SS*.Hα-helixtrans-68.1-27.3173.5-71.6172.2-177.2-177.60113.5N131 R132 L133N131-K135 WeakPolarHBondContact O-CG 3.23Å; N131-K135 PolarHBondContact O-N 3.05Å; R132-K135 PolarHBondContact O-N 2.88Å; L133-K135 PolarHBondContact O-N 3.17Å
136T88.1Confident83.5Confident41 Ų4179.3 Ų79.325%0.25239%0.394SS..THydrogen-bonded Turntrans-98.27.7178.864.70000112.5T6 L133 E134 V138T6-T136 PolarHBondContact N-OG1 3.26Å; T6-T136 WeakPolarHBondContact O-CB 3.45Å; T6-T136 PolarHBondContact O-OG1 3.17Å; L133-T136 CarbonylContact O-C 3.6Å; L133-T136 PolarHBondContact O-N 2.77Å; L133-T136 PolarHBondContact O-OG1 2.86Å; L133-T136 VanDerWaalsContact O-OG1 3.07Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; T136-V138 PolarHBondContact O-N 2.89Å
137K89.1Confident83.2Confident65 Ų6580.7 Ų80.728%0.28340%0.397SS..  trans-67.9124.3178.4-176.9176.9168-179.10111F3 Y4 F5 L133 E134F3-K137 HydrophobicContact CD1-CD 4.4Å; F3-K137 HydrophobicContact CD1-CG 4.38Å; F3-K137 VanDerWaalsContact CE1-CE 3.49Å; Y4-K137 CarbonylContact O-C 3.52Å; Y4-K137 VanDerWaalsContact O-CA 3.3Å; Y4-K137 WeakPolarHBondContact O-CA 3.42Å; F5-K137 HydrophobicContact CD1-CB 3.92Å; F5-K137 HydrophobicContact CD1-CG 4.3Å; F5-K137 HydrophobicContact CE1-CB 3.61Å; F5-K137 HydrophobicContact CE1-CD 3.85Å; F5-K137 HydrophobicContact CE1-CG 3.63Å; F5-K137 HydrophobicContact CZ-CB 4.37Å; F5-K137 HydrophobicContact CZ-CD 4.04Å; F5-K137 HydrophobicContact CZ-CG 3.88Å; L133-K137 PolarHBondContact O-N 2.82Å; E134-K137 VanDerWaalsContact O-CB 3.25Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.83Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.15Å; E134-K137 PolarHBondContact OE1-NZ 3.01Å
138V90.4Very high82.8Confident64 Ų6478.3 Ų78.339%0.38838%0.382SS..EExtended strand (participates in β ladder)trans-125.7121.6175.2-1770000108.5Y4 T136 R140Y4-V138 PolarHBondContact N-O 2.86Å; Y4-V138 PolarHBondContact O-N 3.27Å; T136-V138 PolarHBondContact O-N 2.89Å; V138-R140 HydrophobicContact CG1-CG 3.91Å
139E89.3Confident82.2Confident109 Ų10975.5 Ų75.551%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-85.4124.4175.5-44.5-165.3168.700109F3F3-E139 HydrophobicContact CD1-CB 4.45Å; F3-E139 HydrophobicContact CD1-CG 3.83Å; F3-E139 HydrophobicContact CE1-CG 3.85Å; F3-E139 WeakPolarHBondContact CE1-OE1 3.48Å
140R85.1Confident81.9Confident155 Ų15577.5 Ų77.559%0.58538%0.384SS*.EExtended strand (participates in β ladder)trans-131.2160174.9-59-158.3-178.7-163.23.6111.5V2 Y4 V138 P142V2-R140 PolarHBondContact N-O 3.12Å; V2-R140 PolarHBondContact O-N 2.98Å; V2-R140 VanDerWaalsContact O-O 3.11Å; Y4-R140 HydrophobicContact CD2-CB 3.91Å; Y4-R140 HydrophobicContact CD2-CG 4.02Å; Y4-R140 HydrophobicContact CE2-CB 3.81Å; Y4-R140 HydrophobicContact CE2-CG 4.32Å; V138-R140 HydrophobicContact CG1-CG 3.91Å; R140-P142 VanDerWaalsContact O-CD 3.28Å; R140-P142 WeakPolarHBondContact O-CD 3.45Å
141F79.8Confident81.5Confident161 Ų16178 Ų7871%0.70639%0.385SS*.  trans-115.870170.1-63.9-93.9000107.9M1M1-F141 HydrophobicContact CB-CD1 4.06Å; M1-F141 HydrophobicContact CB-CE1 3.54Å; M1-F141 HydrophobicContact CB-CZ 4.02Å; M1-F141 HydrophobicContact CG-CD1 4.38Å; M1-F141 HydrophobicContact CG-CE1 3.75Å; M1-F141 HydrophobicContact CG-CE2 4.28Å; M1-F141 HydrophobicContact CG-CZ 3.68Å; M1-F141 HydrophobicContact SD-CE1 4.17Å; M1-F141 HydrophobicContact SD-CE2 4.48Å; M1-F141 HydrophobicContact SD-CZ 3.71Å
142P72.7Confident81Confident31 Ų3175.9 Ų75.920%0.20137%0.374CS..  trans-66.1139.2179.631.6-37.7000109.9V2 Y4 R140 L144V2-P142 HydrophobicContact CB-CG 4Å; V2-P142 HydrophobicContact CG2-CG 3.77Å; Y4-P142 HydrophobicContact CE2-CG 4.09Å; Y4-P142 WeakPolarHBondContact OH-CB 3.34Å; Y4-P142 VanDerWaalsContact OH-CG 3.31Å; Y4-P142 WeakPolarHBondContact OH-CG 3.12Å; R140-P142 VanDerWaalsContact O-CD 3.28Å; R140-P142 WeakPolarHBondContact O-CD 3.45Å; P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 HydrophobicContact CB-CD2 4.04Å; P142-L144 HydrophobicContact CB-CG 4.44Å; P142-L144 HydrophobicContact CG-CD2 3.73Å; P142-L144 HydrophobicContact CG-CG 4.06Å; P142-L144 PolarHBondContact O-N 3.28Å; P142-L144 VanDerWaalsContact O-N 3.15Å
143D76.2Confident80.6Confident104 Ų10478 Ų7856%0.55638%0.382SS*.  trans-81.885.2163.1-171-17.6000108.1A145 A146 E147D143-A145 PolarHBondContact O-N 2.87Å; D143-A145 PolarHBondContact OD1-N 3.27Å; D143-A146 HydrophobicContact CB-CB 3.93Å; D143-A146 PolarHBondContact O-N 2.77Å; D143-A146 VanDerWaalsContact O-N 3.15Å; D143-A146 PolarHBondContact OD1-N 3.39Å; D143-A146 VanDerWaalsContact OD1-N 3.16Å; D143-E147 PolarHBondContact O-N 3.36Å
144L72.9Confident80.4Confident22 Ų2283.2 Ų83.212%0.11541%0.406CS..Hα-helixtrans-59-32.4-175.3-61.5168.1000112.1D28 L29 H32 P142 K148D28-L144 HydrophobicContact CB-CD1 4.17Å; L29-L144 HydrophobicContact CD2-CD1 3.42Å; L29-L144 VanDerWaalsContact CD2-CD1 3.42Å; L29-L144 HydrophobicContact CD2-CD2 3.66Å; L29-L144 HydrophobicContact CD2-CG 4.19Å; L29-L144 HydrophobicContact CG-CD1 3.87Å; H32-L144 HydrophobicContact CB-CB 3.81Å; P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 HydrophobicContact CB-CD2 4.04Å; P142-L144 HydrophobicContact CB-CG 4.44Å; P142-L144 HydrophobicContact CG-CD2 3.73Å; P142-L144 HydrophobicContact CG-CG 4.06Å; P142-L144 PolarHBondContact O-N 3.28Å; P142-L144 VanDerWaalsContact O-N 3.15Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 PolarHBondContact O-N 3.21Å; L144-K148 VanDerWaalsContact O-N 3.13Å
145A71Confident80.2Confident42 Ų4281.5 Ų81.535%0.34740%0.398SS..Hα-helixtrans-68.5-45.917800000110.7D143 K148 E149D143-A145 PolarHBondContact O-N 2.87Å; D143-A145 PolarHBondContact OD1-N 3.27Å; A145-K148 PolarHBondContact O-N 3.27Å; A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 3.41Å
146A72.4Confident79.8Confident46 Ų4679.1 Ų79.138%0.3838%0.384SS..Hα-helixtrans-64.5-42177.100000112.5D143 E149 C150D143-A146 HydrophobicContact CB-CB 3.93Å; D143-A146 PolarHBondContact O-N 2.77Å; D143-A146 VanDerWaalsContact O-N 3.15Å; D143-A146 PolarHBondContact OD1-N 3.39Å; D143-A146 VanDerWaalsContact OD1-N 3.16Å; A146-E149 PolarHBondContact O-N 3.19Å; A146-C150 VanDerWaalsContact O-CB 3.27Å; A146-C150 WeakPolarHBondContact O-CB 3.11Å; A146-C150 PolarHBondContact O-N 3.41Å
147E76.9Confident79.7Confident83 Ų8381.5 Ų81.539%0.38840%0.395SS..Hα-helixtrans-63.1-44.6178.5-71.7-170.4136.900111.9D143 R151D143-E147 PolarHBondContact O-N 3.36Å; E147-R151 PolarHBondContact O-N 2.82Å; E147-R151 VanDerWaalsContact O-N 3.1Å
148K75.5Confident79.5Confident41 Ų4183.7 Ų83.718%0.17841%0.407CS..Hα-helixtrans-66.1-44.9176.5-179.4166.9178.5166.60111.7K31 H32 L144 A145 C150 R151 D152K31-K148 PolarHBondContact O-NZ 3.48Å; H32-K148 HydrophobicContact CB-CB 4.42Å; H32-K148 HydrophobicContact CB-CD 4.1Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 PolarHBondContact O-N 3.21Å; L144-K148 VanDerWaalsContact O-N 3.13Å; A145-K148 PolarHBondContact O-N 3.27Å; K148-C150 VanDerWaalsContact C-N 3.31Å; K148-C150 PolarHBondContact O-N 2.85Å; K148-R151 PolarHBondContact O-N 3.31Å; K148-D152 WeakPolarHBondContact O-CB 3.42Å; K148-D152 VanDerWaalsContact O-CG 3.28Å; K148-D152 PolarHBondContact O-N 2.86Å
149E76.3Confident79.3Confident98 Ų9885.7 Ų85.746%0.45841%0.41SS..Hα-helixtrans-63.3-39.2179.1-164.5-165.3157.900111.7A145 A146 D152 R153A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 3.41Å; A146-E149 PolarHBondContact O-N 3.19Å; E149-D152 PolarHBondContact O-N 3.01Å; E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 PolarHBondContact O-N 3.22Å; E149-R153 IonicContact OE1-CZ 3.68Å; E149-R153 IonicContact OE1-NH2 2.69Å; E149-R153 PolarHBondContact OE1-NH2 2.8Å
150C77.7Confident79.2Confident68 Ų6886.5 Ų86.546%0.45941%0.412SS..Hα-helixtrans-59.5-52.4175.7-170.20000110.5A146 K148 D152 R153 E154A146-C150 VanDerWaalsContact O-CB 3.27Å; A146-C150 WeakPolarHBondContact O-CB 3.11Å; A146-C150 PolarHBondContact O-N 3.41Å; K148-C150 VanDerWaalsContact C-N 3.31Å; K148-C150 PolarHBondContact O-N 2.85Å; C150-D152 PolarHBondContact O-N 3.26Å; C150-R153 WeakPolarHBondContact O-CB 3.38Å; C150-R153 PolarHBondContact O-N 2.79Å; C150-R153 VanDerWaalsContact O-N 3.15Å; C150-E154 WeakPolarHBondContact O-CG 3.21Å; C150-E154 PolarHBondContact O-N 2.99Å
151R78.2Confident79.4Confident31 Ų3181.7 Ų81.712%0.11741%0.406CS..Hα-helixtrans-59.5-46.4177.6-166.3-148.4-160.9-130.34.5112E36 E147 K148 R153 E154 E155E36-R151 IonicContact OE1-NH2 3.77Å; E36-R151 PolarHBondContact OE1-NH2 3.25Å; E36-R151 VanDerWaalsContact OE1-NH2 3.14Å; E36-R151 IonicContact OE2-NH2 3.94Å; E36-R151 PolarHBondContact OE2-NH2 3.44Å; E147-R151 PolarHBondContact O-N 2.82Å; E147-R151 VanDerWaalsContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 3.31Å; R151-R153 VanDerWaalsContact C-N 3.25Å; R151-R153 PolarHBondContact O-N 3Å; R151-E154 PolarHBondContact O-N 3.26Å; R151-E155 IonicContact NH1-OE2 3.85Å; R151-E155 WeakPolarHBondContact O-CB 3.28Å; R151-E155 PolarHBondContact O-N 3.21Å
152D78.7Confident79.8Confident60 Ų6080.2 Ų80.232%0.32140%0.401SS..Hα-helixtrans-67.2-28.1179.8-73.1-13.8000111.8K148 E149 C150 R156K148-D152 WeakPolarHBondContact O-CB 3.42Å; K148-D152 VanDerWaalsContact O-CG 3.28Å; K148-D152 PolarHBondContact O-N 2.86Å; E149-D152 PolarHBondContact O-N 3.01Å; C150-D152 PolarHBondContact O-N 3.26Å; D152-R156 VanDerWaalsContact O-CB 3.25Å; D152-R156 WeakPolarHBondContact O-CB 3.13Å; D152-R156 WeakPolarHBondContact O-CG 3.3Å; D152-R156 PolarHBondContact O-N 3.2Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NE 2.84Å
153R80.1Confident80.5Confident129 Ų12983.1 Ų83.149%0.48741%0.414SS..Hα-helixtrans-74.5-44.3173.2-172.3-176.6-63.6-172.40.4111E149 C150 R151 R156 N157E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 PolarHBondContact O-N 3.22Å; E149-R153 IonicContact OE1-CZ 3.68Å; E149-R153 IonicContact OE1-NH2 2.69Å; E149-R153 PolarHBondContact OE1-NH2 2.8Å; C150-R153 WeakPolarHBondContact O-CB 3.38Å; C150-R153 PolarHBondContact O-N 2.79Å; C150-R153 VanDerWaalsContact O-N 3.15Å; R151-R153 VanDerWaalsContact C-N 3.25Å; R151-R153 PolarHBondContact O-N 3Å; R153-R156 PolarHBondContact O-N 2.95Å; R153-N157 WeakPolarHBondContact O-CB 3.12Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-ND2 2.78Å
154E82.6Confident81.2Confident112 Ų11284.8 Ų84.852%0.52342%0.418SS..Hα-helixtrans-59.7-50.8174.1-71.7178.7100.300110.8C150 R151 R156 N157 E158C150-E154 WeakPolarHBondContact O-CG 3.21Å; C150-E154 PolarHBondContact O-N 2.99Å; R151-E154 PolarHBondContact O-N 3.26Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 2.93Å; E154-N157 CarbonylContact O-C 3.55Å; E154-N157 WeakPolarHBondContact O-CB 3.38Å; E154-N157 PolarHBondContact O-N 2.77Å; E154-E158 WeakPolarHBondContact O-CG 3.28Å; E154-E158 PolarHBondContact O-N 2.96Å
155E82Confident82Confident68 Ų6886.4 Ų86.432%0.31843%0.425SS..Hα-helixtrans-62-38.8179-166.7-173.410200111.9R151 K159R151-E155 IonicContact NH1-OE2 3.85Å; R151-E155 WeakPolarHBondContact O-CB 3.28Å; R151-E155 PolarHBondContact O-N 3.21Å; E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 VanDerWaalsContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 VanDerWaalsContact O-CG 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 2.98Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å
156R81.8Confident82.9Confident131 Ų13190 Ų9049%0.49444%0.436SS..Hα-helixtrans-65.9-39.4173.5-80.9-176.2-64.3163.6-2.1112.2D152 R153 E154 K160D152-R156 VanDerWaalsContact O-CB 3.25Å; D152-R156 WeakPolarHBondContact O-CB 3.13Å; D152-R156 WeakPolarHBondContact O-CG 3.3Å; D152-R156 PolarHBondContact O-N 3.2Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NE 2.84Å; R153-R156 PolarHBondContact O-N 2.95Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 2.93Å; R156-K160 WeakPolarHBondContact O-CB 3.48Å; R156-K160 WeakPolarHBondContact O-CG 3.25Å; R156-K160 PolarHBondContact O-N 3.32Å
157N85.5Confident83.8Confident91 Ų9193.7 Ų93.749%0.48744%0.444SS..Hα-helixtrans-68.7-42.9178.2-73.2-12.5000111R153 E154 K160 A161R153-N157 WeakPolarHBondContact O-CB 3.12Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-ND2 2.78Å; E154-N157 CarbonylContact O-C 3.55Å; E154-N157 WeakPolarHBondContact O-CB 3.38Å; E154-N157 PolarHBondContact O-N 2.77Å; N157-K160 PolarHBondContact O-N 2.87Å; N157-A161 WeakPolarHBondContact O-CB 3.42Å; N157-A161 PolarHBondContact O-N 2.93Å
158E85.3Confident84.5Confident111 Ų11195.4 Ų95.452%0.51945%0.446SS..Hα-helixtrans-61.1-48.7173.8-71.4-179.6140.700111.3E154 K160 A161 Q162E154-E158 WeakPolarHBondContact O-CG 3.28Å; E154-E158 PolarHBondContact O-N 2.96Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.18Å; E158-A161 PolarHBondContact O-N 2.83Å; E158-Q162 WeakPolarHBondContact O-CB 3.26Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3.25Å
159K85.5Confident85.2Confident107 Ų107100.3 Ų100.347%0.46546%0.464SS..Hα-helixtrans-59.1-42.8175.4-77.1172.5176.1170.50111.8E155 Q162 I163E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 VanDerWaalsContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 VanDerWaalsContact O-CG 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 2.98Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-I163 WeakPolarHBondContact O-CB 3.48Å; K159-I163 WeakPolarHBondContact O-CD1 3.48Å; K159-I163 WeakPolarHBondContact O-CG1 3.2Å; K159-I163 PolarHBondContact O-N 2.93Å
160K87.2Confident85.9Confident125 Ų125100.9 Ų100.954%0.54347%0.467SS..Hα-helixtrans-63.6-43.9175.5-78.4175.8179.2-177.20111.7R156 N157 E158 I163 Q164R156-K160 WeakPolarHBondContact O-CB 3.48Å; R156-K160 WeakPolarHBondContact O-CG 3.25Å; R156-K160 PolarHBondContact O-N 3.32Å; N157-K160 PolarHBondContact O-N 2.87Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.18Å; K160-I163 PolarHBondContact O-N 3.43Å; K160-Q164 WeakPolarHBondContact O-CB 3.27Å; K160-Q164 VanDerWaalsContact O-CG 3.27Å; K160-Q164 WeakPolarHBondContact O-CG 3.39Å; K160-Q164 PolarHBondContact O-N 3.39Å
161A88.7Confident86.5Confident55 Ų55105.1 Ų105.146%0.45548%0.477SS..Hα-helixtrans-63.6-42.9177.500000111.5N157 E158 Q164 E165N157-A161 WeakPolarHBondContact O-CB 3.42Å; N157-A161 PolarHBondContact O-N 2.93Å; E158-A161 PolarHBondContact O-N 2.83Å; A161-Q164 PolarHBondContact O-N 2.98Å; A161-E165 VanDerWaalsContact O-CB 3.29Å; A161-E165 WeakPolarHBondContact O-CB 3.48Å; A161-E165 PolarHBondContact O-N 3.46Å
162Q88.2Confident87.1Confident130 Ų130107.6 Ų107.661%0.60749%0.49SS*.Hα-helixtrans-62.4-44.7175.2-72.1175.21500112E158 K159 E165 M166E158-Q162 WeakPolarHBondContact O-CB 3.26Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3.25Å; K159-Q162 PolarHBondContact O-N 3.46Å; Q162-E165 PolarHBondContact O-N 2.81Å; Q162-M166 VanDerWaalsContact O-CB 3.31Å; Q162-M166 WeakPolarHBondContact O-CB 3.14Å; Q162-M166 PolarHBondContact O-N 3.07Å
163I87.9Confident87.7Confident91 Ų91111.1 Ų111.147%0.46751%0.505SS..Hα-helixtrans-65.5-40.5176.8-68.3164.8000111.1K159 K160 K167K159-I163 WeakPolarHBondContact O-CB 3.48Å; K159-I163 WeakPolarHBondContact O-CD1 3.48Å; K159-I163 WeakPolarHBondContact O-CG1 3.2Å; K159-I163 PolarHBondContact O-N 2.93Å; K160-I163 PolarHBondContact O-N 3.43Å; I163-K167 HydrophobicContact CG2-CD 4.21Å; I163-K167 WeakPolarHBondContact O-CB 3.35Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.34Å; I163-K167 PolarHBondContact O-N 2.87Å
164Q90.3Very high88.1Confident139 Ų139110.1 Ų110.165%0.6551%0.507SS*.Hα-helixtrans-65.8-43176.8-77.1178.9-0.300111.6K160 A161 K167 R168K160-Q164 WeakPolarHBondContact O-CB 3.27Å; K160-Q164 VanDerWaalsContact O-CG 3.27Å; K160-Q164 WeakPolarHBondContact O-CG 3.39Å; K160-Q164 PolarHBondContact O-N 3.39Å; A161-Q164 PolarHBondContact O-N 2.98Å; Q164-K167 PolarHBondContact O-N 3.02Å; Q164-R168 WeakPolarHBondContact O-CB 3.25Å; Q164-R168 PolarHBondContact O-N 3.42Å
165E90.3Very high88.5Confident57 Ų57111 Ų11127%0.26651%0.509SS..Hα-helixtrans-65.1-42.4176.5177.559.8-170.800111.5A161 Q162 R168 R169A161-E165 VanDerWaalsContact O-CB 3.29Å; A161-E165 WeakPolarHBondContact O-CB 3.48Å; A161-E165 PolarHBondContact O-N 3.46Å; Q162-E165 PolarHBondContact O-N 2.81Å; E165-R168 VanDerWaalsContact CD-NH2 3.26Å; E165-R168 PolarHBondContact O-N 3.2Å; E165-R168 IonicContact OE1-CZ 2.87Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.07Å; E165-R168 IonicContact OE2-CZ 3.26Å; E165-R168 VanDerWaalsContact OE2-CZ 3.28Å; E165-R168 IonicContact OE2-NE 2.86Å; E165-R168 PolarHBondContact OE2-NE 3.49Å; E165-R168 IonicContact OE2-NH2 3.77Å; E165-R168 PolarHBondContact OE2-NH2 3.36Å; E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3Å; E165-R169 IonicContact OE1-CZ 3.86Å; E165-R169 IonicContact OE1-NE 2.78Å; E165-R169 PolarHBondContact OE1-NE 3.45Å; E165-R169 IonicContact OE1-NH2 2.83Å; E165-R169 PolarHBondContact OE1-NH2 3.28Å
166M89Confident88.9Confident118 Ų118114 Ų11458%0.58152%0.521SS*.Hα-helixtrans-59.8-49173.9-172.3-176.4-68.500111Q162 R168 R169 E170Q162-M166 VanDerWaalsContact O-CB 3.31Å; Q162-M166 WeakPolarHBondContact O-CB 3.14Å; Q162-M166 PolarHBondContact O-N 3.07Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 3.37Å; M166-R169 PolarHBondContact O-N 2.63Å; M166-E170 WeakPolarHBondContact O-CG 3.37Å; M166-E170 PolarHBondContact O-N 3.13Å
167K91.8Very high89.2Confident123 Ų123114 Ų11454%0.53553%0.525SS..Hα-helixtrans-62.4-34.2175.9-75.2-179.9179.5-175.70113I163 Q164 K171I163-K167 HydrophobicContact CG2-CD 4.21Å; I163-K167 WeakPolarHBondContact O-CB 3.35Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.34Å; I163-K167 PolarHBondContact O-N 2.87Å; Q164-K167 PolarHBondContact O-N 3.02Å; K167-K171 WeakPolarHBondContact O-CB 3.46Å; K167-K171 VanDerWaalsContact O-CG 3.26Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.31Å; K167-K171 VanDerWaalsContact O-N 3.1Å
168R91.5Very high89.2Confident118 Ų118117 Ų11745%0.44553%0.529SS..Hα-helixtrans-67.4-47176.1-172.5-177.269.690.9-3.3110.4Q164 E165 M166 K171 E172Q164-R168 WeakPolarHBondContact O-CB 3.25Å; Q164-R168 PolarHBondContact O-N 3.42Å; E165-R168 VanDerWaalsContact CD-NH2 3.26Å; E165-R168 PolarHBondContact O-N 3.2Å; E165-R168 IonicContact OE1-CZ 2.87Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.07Å; E165-R168 IonicContact OE2-CZ 3.26Å; E165-R168 VanDerWaalsContact OE2-CZ 3.28Å; E165-R168 IonicContact OE2-NE 2.86Å; E165-R168 PolarHBondContact OE2-NE 3.49Å; E165-R168 IonicContact OE2-NH2 3.77Å; E165-R168 PolarHBondContact OE2-NH2 3.36Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 3.37Å; R168-K171 PolarHBondContact O-N 3.04Å; R168-E172 IonicContact CZ-OE1 3.14Å; R168-E172 IonicContact NH1-OE1 2.82Å; R168-E172 PolarHBondContact NH1-OE1 2.94Å; R168-E172 IonicContact NH1-OE2 3.65Å; R168-E172 PolarHBondContact NH1-OE2 3.45Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.42Å
169R90.8Very high89.2Confident144 Ų144116 Ų11654%0.54352%0.524SS..Hα-helixtrans-59.8-47.8175.6-71.9178.9-173-167.51.4112E165 M166 K171 E172 E173E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3Å; E165-R169 IonicContact OE1-CZ 3.86Å; E165-R169 IonicContact OE1-NE 2.78Å; E165-R169 PolarHBondContact OE1-NE 3.45Å; E165-R169 IonicContact OE1-NH2 2.83Å; E165-R169 PolarHBondContact OE1-NH2 3.28Å; M166-R169 PolarHBondContact O-N 2.63Å; R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.96Å; R169-E172 PolarHBondContact O-N 2.9Å; R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 2.86Å
170E90.7Very high89.1Confident110 Ų110116 Ų11651%0.51453%0.527SS..Hα-helixtrans-59.6-41177-72.7178.2152.100112.4M166 M174M166-E170 WeakPolarHBondContact O-CG 3.37Å; M166-E170 PolarHBondContact O-N 3.13Å; E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.3Å; E170-M174 PolarHBondContact O-N 3.4Å
171K91.4Very high89Confident157 Ų157113.8 Ų113.868%0.68352%0.522SS*.Hα-helixtrans-66.4-41175.6-77.5178.5179.2-173.90112.4K167 R168 R169 M174 K175K167-K171 WeakPolarHBondContact O-CB 3.46Å; K167-K171 VanDerWaalsContact O-CG 3.26Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.31Å; K167-K171 VanDerWaalsContact O-N 3.1Å; R168-K171 PolarHBondContact O-N 3.04Å; R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.96Å; K171-M174 PolarHBondContact O-N 3.17Å; K171-K175 WeakPolarHBondContact O-CB 3.46Å; K171-K175 PolarHBondContact O-N 3.31Å
172E90.9Very high88.7Confident83 Ų83117.5 Ų117.539%0.38853%0.529SS..Hα-helixtrans-66-41.7176.9-75.5174.9-17000111.7R168 R169 K175 K176R168-E172 IonicContact CZ-OE1 3.14Å; R168-E172 IonicContact NH1-OE1 2.82Å; R168-E172 PolarHBondContact NH1-OE1 2.94Å; R168-E172 IonicContact NH1-OE2 3.65Å; R168-E172 PolarHBondContact NH1-OE2 3.45Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.42Å; R169-E172 PolarHBondContact O-N 2.9Å; E172-K175 PolarHBondContact O-N 2.75Å; E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.32Å; E172-K176 PolarHBondContact O-N 3.37Å
173E90.8Very high88Confident135 Ų135118.8 Ų118.863%0.63154%0.54SS*.Hα-helixtrans-64.4-43.2174.4-73.6179.4175.300111.9R169 K175 K176 K177R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 2.86Å; E173-K175 VanDerWaalsContact C-N 3.35Å; E173-K175 PolarHBondContact O-N 3.5Å; E173-K176 PolarHBondContact O-N 3.04Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å
174M88.6Confident87.5Confident108 Ų108123.8 Ų123.853%0.53255%0.553SS.*Hα-helixtrans-64.3-39.6175.9-168.9-175.8-6400111.8E170 K171 K177 R178E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.3Å; E170-M174 PolarHBondContact O-N 3.4Å; K171-M174 PolarHBondContact O-N 3.17Å; M174-K177 PolarHBondContact O-N 3.42Å; M174-R178 WeakPolarHBondContact O-CG 3.4Å; M174-R178 PolarHBondContact O-N 2.99Å; M174-R178 PolarHBondContact SD-NH2 3.41Å; M174-R178 VanDerWaalsContact SD-NH2 3.41Å
175K90.5Very high86.6Confident131 Ų131119.6 Ų119.657%0.5754%0.538SS*.Hα-helixtrans-65.8-47.7176.3-174.6177.9171.7-1750111.4K171 E172 E173 K177 R178 E179K171-K175 WeakPolarHBondContact O-CB 3.46Å; K171-K175 PolarHBondContact O-N 3.31Å; E172-K175 PolarHBondContact O-N 2.75Å; E173-K175 VanDerWaalsContact C-N 3.35Å; E173-K175 PolarHBondContact O-N 3.5Å; K175-K177 VanDerWaalsContact C-N 3.29Å; K175-K177 PolarHBondContact O-N 3.23Å; K175-R178 PolarHBondContact O-N 2.89Å; K175-E179 WeakPolarHBondContact CE-OE1 3.45Å; K175-E179 IonicContact NZ-OE1 3.88Å; K175-E179 WeakPolarHBondContact O-CG 3.23Å; K175-E179 PolarHBondContact O-N 2.82Å
176K89.6Confident85.4Confident130 Ų130125.5 Ų125.557%0.56556%0.56SS**Hα-helixtrans-59.3-39.4175.4-74.9177.9-179.4178.90112.2E172 E173 M180E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.32Å; E172-K176 PolarHBondContact O-N 3.37Å; E173-K176 PolarHBondContact O-N 3.04Å; K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.47Å
177K89.4Confident84.2Confident132 Ų132123.3 Ų123.357%0.57456%0.556SS**Hα-helixtrans-63.9-46175.6-173.4174.3178.7179.10111.6E173 M174 K175 M180 D181E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å; M174-K177 PolarHBondContact O-N 3.42Å; K175-K177 VanDerWaalsContact C-N 3.29Å; K175-K177 PolarHBondContact O-N 3.23Å; K177-M180 PolarHBondContact O-N 2.87Å; K177-D181 WeakPolarHBondContact O-CB 3.33Å; K177-D181 VanDerWaalsContact O-CG 3.24Å; K177-D181 PolarHBondContact O-N 3.34Å
178R85.9Confident82.7Confident154 Ų154121 Ų12158%0.58156%0.556SS**Hα-helixtrans-61.2-45175.7-72.3176.2-173.1-171.62.4112.3M174 K175 M180 D181 E182M174-R178 WeakPolarHBondContact O-CG 3.4Å; M174-R178 PolarHBondContact O-N 2.99Å; M174-R178 PolarHBondContact SD-NH2 3.41Å; M174-R178 VanDerWaalsContact SD-NH2 3.41Å; K175-R178 PolarHBondContact O-N 2.89Å; R178-M180 PolarHBondContact O-N 3.35Å; R178-D181 PolarHBondContact O-N 3.24Å; R178-E182 WeakPolarHBondContact O-CB 3.38Å; R178-E182 WeakPolarHBondContact O-CG 3.17Å; R178-E182 PolarHBondContact O-N 2.95Å
179E84.9Confident81Confident89 Ų89120.7 Ų120.742%0.41656%0.562SS.*Hα-helixtrans-62.1-41.4177.4-72.2172.9171.800111.7K175 E182 L183K175-E179 WeakPolarHBondContact CE-OE1 3.45Å; K175-E179 IonicContact NZ-OE1 3.88Å; K175-E179 WeakPolarHBondContact O-CG 3.23Å; K175-E179 PolarHBondContact O-N 2.82Å; E179-E182 PolarHBondContact O-N 2.86Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CD1 3.37Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 2.79Å
180M83.2Confident79.4Confident106 Ų106120.5 Ų120.552%0.52257%0.569SS.*Hα-helixtrans-65.8-40.1174.2-76.6-167-67.600112.9K176 K177 R178 L183 R184K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.47Å; K177-M180 PolarHBondContact O-N 2.87Å; R178-M180 PolarHBondContact O-N 3.35Å; M180-L183 PolarHBondContact O-N 2.73Å; M180-R184 WeakPolarHBondContact O-CB 3.49Å; M180-R184 VanDerWaalsContact O-CG 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.13Å; M180-R184 PolarHBondContact O-N 3.44Å
181D84.8Confident78.2Confident80 Ų80120.6 Ų120.643%0.42857%0.568SS.*Hα-helixtrans-68.6-36.5177.5-70.1-22000111.2K177 R178 R184 S185K177-D181 WeakPolarHBondContact O-CB 3.33Å; K177-D181 VanDerWaalsContact O-CG 3.24Å; K177-D181 PolarHBondContact O-N 3.34Å; R178-D181 PolarHBondContact O-N 3.24Å; D181-R184 PolarHBondContact O-N 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.31Å; D181-S185 PolarHBondContact O-N 3.26Å
182E81.4Confident76.8Confident133 Ų133118.9 Ų118.962%0.62157%0.57SS**Hα-helixtrans-66.6-42.7172.9-77.5177-166.800112.1R178 E179 R184 S185R178-E182 WeakPolarHBondContact O-CB 3.38Å; R178-E182 WeakPolarHBondContact O-CG 3.17Å; R178-E182 PolarHBondContact O-N 2.95Å; E179-E182 PolarHBondContact O-N 2.86Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-S185 PolarHBondContact O-N 2.85Å
183L75.2Confident75.5Confident157 Ų157123.1 Ų123.182%0.82259%0.59SS**Hα-helixtrans-65.1-32.2174.2-83.1155.6000112.8E179 M180E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CD1 3.37Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 2.79Å; M180-L183 PolarHBondContact O-N 2.73Å
184R77.2Confident74.2Confident196 Ų196121.8 Ų121.874%0.7459%0.587SS**Hα-helixtrans-77.5-23.4173.9-75.9175.7178.1-172.9-0.7112.9M180 D181 E182M180-R184 WeakPolarHBondContact O-CB 3.49Å; M180-R184 VanDerWaalsContact O-CG 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.13Å; M180-R184 PolarHBondContact O-N 3.44Å; D181-R184 PolarHBondContact O-N 3.31Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.47Å
185S71.3Confident72.8Confident50 Ų50121.4 Ų121.435%0.3559%0.585SS.*  trans-87.8117.5-178169.60000110.6D181 E182 S187D181-S185 WeakPolarHBondContact O-CB 3.31Å; D181-S185 PolarHBondContact O-N 3.26Å; E182-S185 PolarHBondContact O-N 2.85Å; S185-S187 PolarHBondContact O-N 2.99Å; S185-S187 WeakPolarHBondContact OG-CB 3.42Å; S185-S187 PolarHBondContact OG-N 3.29Å; S185-S187 PolarHBondContact OG-OG 3.37Å
186Y63.8Low71.4Confident181 Ų181120.1 Ų120.171%0.7159%0.593SS**G310 helixtrans-65.711.1171.5-66.1-70.2000114.4S188 L189 M190Y186-S188 PolarHBondContact O-N 2.69Å; Y186-L189 HydrophobicContact CD1-CD1 3.55Å; Y186-L189 HydrophobicContact CD1-CG 4.44Å; Y186-L189 HydrophobicContact CE1-CD1 4.18Å; Y186-L189 WeakPolarHBondContact O-CB 3.09Å; Y186-L189 PolarHBondContact O-N 2.85Å; Y186-M190 PolarHBondContact O-N 3.26Å
187S64.1Low70Confident73 Ų73117.9 Ų117.951%0.5159%0.593SS.*G310 helixtrans-57.2-29.5-179.960.80000114.1S185 L189 M190S185-S187 PolarHBondContact O-N 2.99Å; S185-S187 WeakPolarHBondContact OG-CB 3.42Å; S185-S187 PolarHBondContact OG-N 3.29Å; S185-S187 PolarHBondContact OG-OG 3.37Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-M190 PolarHBondContact O-N 3.48Å
188S61.2Low68.8Low75 Ų75119 Ų11952%0.52461%0.605SS.*G310 helixtrans-72.9-22.3174.863.50000113.5Y186Y186-S188 PolarHBondContact O-N 2.69Å
189L55.5Low67.5Low110 Ų110119.8 Ų119.858%0.57662%0.616SS**THydrogen-bonded Turntrans-84.1-28.6173.7-60.8-177.4000112.1Y186 S187 K191Y186-L189 HydrophobicContact CD1-CD1 3.55Å; Y186-L189 HydrophobicContact CD1-CG 4.44Å; Y186-L189 HydrophobicContact CE1-CD1 4.18Å; Y186-L189 WeakPolarHBondContact O-CB 3.09Å; Y186-L189 PolarHBondContact O-N 2.85Å; S187-L189 VanDerWaalsContact C-N 3.31Å; L189-K191 PolarHBondContact O-N 3.34Å
190M58Low66Low140 Ų140123 Ų12369%0.6964%0.636SS**  trans-85.840.6178-69-81.7-16700112.8Y186 S187 M195Y186-M190 PolarHBondContact O-N 3.26Å; S187-M190 PolarHBondContact O-N 3.48Å; M190-M195 HydrophobicContact CB-CE 4.12Å; M190-M195 WeakPolarHBondContact O-CE 3.24Å; M190-M195 HydrophobicContact SD-CE 4.42Å
191K64.9Low64.3Low112 Ų112121.6 Ų121.649%0.48765%0.649SS.*  trans-82.6137170.4-73.7-177.8177.4-176.20109.6L189 E193 N194 M195L189-K191 PolarHBondContact O-N 3.34Å; K191-E193 PolarHBondContact O-N 3.3Å; K191-E193 VanDerWaalsContact O-N 3.12Å; K191-N194 WeakPolarHBondContact O-CA 3.47Å; K191-N194 PolarHBondContact O-N 2.98Å; K191-M195 PolarHBondContact O-N 3.09Å
192V62.1Low62.7Low122 Ų122123.9 Ų123.974%0.73966%0.661SS**G310 helixtrans-55.9-30.8177.7-178.50000111.5N194 M195V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 3.33Å; V192-M195 PolarHBondContact O-N 3.21Å; V192-M195 VanDerWaalsContact O-N 3.17Å
193E63.7Low61.1Low171 Ų171125.4 Ų125.480%0.79967%0.673SS**G310 helixtrans-63.7-26.7174.3-62.3-179.5142.900113.8K191K191-E193 PolarHBondContact O-N 3.3Å; K191-E193 VanDerWaalsContact O-N 3.12Å
194N62Low60.1Low107 Ų107122 Ų12257%0.57266%0.663SS**G310 helixtrans-98.2-1.4177.5-66.3-7.2000112.4K191 V192K191-N194 WeakPolarHBondContact O-CA 3.47Å; K191-N194 PolarHBondContact O-N 2.98Å; V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 3.33Å
195M60.2Low58.7Low101 Ų101120.4 Ų120.450%0.49867%0.669SS.*  trans-93.596.7177.4-67.1-177.4-145.200109.3M190 K191 V192M190-M195 HydrophobicContact CB-CE 4.12Å; M190-M195 WeakPolarHBondContact O-CE 3.24Å; M190-M195 HydrophobicContact SD-CE 4.42Å; K191-M195 PolarHBondContact O-N 3.09Å; V192-M195 PolarHBondContact O-N 3.21Å; V192-M195 VanDerWaalsContact O-N 3.17Å
196S61.1Low57.7Low104 Ų104126.6 Ų126.673%0.72769%0.692SS**  trans-80.5132.8163.753.90000109.6
197S60.5Low56.9Low82 Ų82127.2 Ų127.257%0.57370%0.699SS**  trans-70.9128.8171.8-178.30000109.8Q199S197-Q199 PolarHBondContact O-N 3.04Å; S197-Q199 WeakPolarHBondContact OG-CB 3.36Å; S197-Q199 PolarHBondContact OG-N 3.36Å
198N64.1Low56.2Low155 Ų155135.2 Ų135.283%0.82973%0.731SS**THydrogen-bonded Turntrans-71.916.8173.4-73.710.7000113.2
199Q58.3Low56Low172 Ų172138.3 Ų138.380%0.80474%0.742SS**THydrogen-bonded Turntrans-94.5-5.7-175.9-140.1172.310.500113.5S197S197-Q199 PolarHBondContact O-N 3.04Å; S197-Q199 WeakPolarHBondContact OG-CB 3.36Å; S197-Q199 PolarHBondContact OG-N 3.36Å
200D53Low56Low155 Ų155139.7 Ų139.783%0.82975%0.75SS**SBendtrans-99.873.1170.3-77.2-39.9000111.2N202D200-N202 PolarHBondContact O-N 2.84Å
201G48.2Very low55.9Low77 Ų77139.7 Ų139.779%0.79475%0.754SS**SBendtrans46.338.8136.800000121.9
202N50.7Low55.3Low129 Ų129141.4 Ų141.469%0.6977%0.77SS**  trans-137.164.1164.7-160.963.9000112.6D200 S204D200-N202 PolarHBondContact O-N 2.84Å; N202-S204 PolarHBondContact ND2-OG 2.81Å; N202-S204 PolarHBondContact O-N 3.46Å
203D48.5Very low54.9Low164 Ų164142.6 Ų142.688%0.87777%0.771SS**  trans-71.871.5159.3-72.3-27.5000109.1D205D203-D205 VanDerWaalsContact C-N 3.31Å; D203-D205 PolarHBondContact O-N 2.96Å
204S54.2Low54.3Low86 Ų86140.7 Ų140.760%0.60177%0.77SS**  trans-91.677.5162.960.90000108.5N202 E206N202-S204 PolarHBondContact ND2-OG 2.81Å; N202-S204 PolarHBondContact O-N 3.46Å; S204-E206 VanDerWaalsContact C-N 3.32Å; S204-E206 PolarHBondContact O-N 3.36Å
205D47.7Very low53.8Low162 Ų162143.1 Ų143.187%0.86678%0.784SS**  trans-59.691.7159.9-115.3-11.6000108D203D203-D205 VanDerWaalsContact C-N 3.31Å; D203-D205 PolarHBondContact O-N 2.96Å
206E50.2Low53.3Low180 Ų180146.3 Ų146.384%0.84181%0.806SS**  trans-112.380.9163.6-163.6158.1-160.300108.4S204S204-E206 VanDerWaalsContact C-N 3.32Å; S204-E206 PolarHBondContact O-N 3.36Å
207F47.3Very low52.6Low195 Ų195149.8 Ų149.886%0.85581%0.812SS**  trans-76.7108.8168.1-172.4-92.6000108.8
208M48.9Very low51.9Low241 Ų241156 Ų156100%1.18783%0.834SS**  trans-137.30153.2-82-143.7-15700109.7

Retrieved 208 of 208 residues in 485.5 ms (Link to these results)

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