A0A077Z0Q5_TRITR Loading...

DNA sliding clamp PCNA

This protein is an auxiliary protein of DNA polymerase delta and is involved in the control of eukaryotic DNA replication by increasing the polymerase's processivity during elongation of the leading strand.

AlphaFold DB , UniProt , Accession A0A077Z0Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.4Very high96.1Very high41 Ų4120 Ų2020%0.20212%0.115CC..  0142.30179.8176.617500109.2E3 D82 D113M1-E3 HydrophobicContact CE-CB 4.47Å; M1-E3 WeakPolarHBondContact CE-OE2 3.38Å; M1-D82 WeakPolarHBondContact CB-OD2 3.44Å; M1-D82 PolarHBondContact N-OD2 2.83Å; M1-D82 PolarHBondContact O-N 2.92Å; M1-D113 PolarHBondContact N-OD1 3.25Å; M1-D113 PolarHBondContact N-OD2 3.19Å
2F95.9Very high96.1Very high0 Ų018.5 Ų18.50%011%0.106CC..EExtended strand (participates in β ladder)trans-123.3133.9171.9170.8-113.2000110.6A4 C30 L35 F79 R80 C81 M85 L87 I109 R110 A111F2-A4 HydrophobicContact CE2-CB 4.02Å; F2-A4 HydrophobicContact CZ-CB 3.77Å; F2-C30 HydrophobicContact CD1-CB 4.29Å; F2-C30 HydrophobicContact CD2-CB 3.73Å; F2-C30 HydrophobicContact CE1-CB 4.35Å; F2-C30 WeakPolarHBondContact CE1-SG 3.22Å; F2-C30 HydrophobicContact CE2-CB 3.81Å; F2-C30 HydrophobicContact CG-CB 3.98Å; F2-C30 HydrophobicContact CZ-CB 4.13Å; F2-L35 HydrophobicContact CZ-CD1 4.13Å; F2-F79 HydrophobicContact CE2-CE2 4.06Å; F2-F79 HydrophobicContact CE2-CZ 4.07Å; F2-R80 CarbonylContact C-O 3.47Å; F2-R80 VanDerWaalsContact CA-O 3.31Å; F2-R80 WeakPolarHBondContact CA-O 3.22Å; F2-R80 WeakPolarHBondContact CD2-O 3.35Å; F2-C81 HydrophobicContact CD2-CB 4.01Å; F2-M85 HydrophobicContact CB-CE 3.98Å; F2-M85 HydrophobicContact CB-CG 4.29Å; F2-M85 HydrophobicContact CB-SD 3.45Å; F2-M85 WeakPolarHBondContact CB-SD 3.48Å; F2-M85 HydrophobicContact CG-SD 4.32Å; F2-L87 HydrophobicContact CD1-CD1 4.15Å; F2-L87 HydrophobicContact CE1-CD1 4.18Å; F2-I109 HydrophobicContact CE1-CB 4.39Å; F2-I109 HydrophobicContact CE1-CD1 4.12Å; F2-I109 HydrophobicContact CE1-CG1 3.99Å; F2-I109 HydrophobicContact CE1-CG2 3.62Å; F2-I109 HydrophobicContact CZ-CG2 3.89Å; F2-R110 WeakPolarHBondContact O-CA 3.46Å; F2-A111 HydrophobicContact CB-CB 4.44Å; F2-A111 HydrophobicContact CD1-CB 4.38Å; F2-A111 PolarHBondContact N-O 3.46Å; F2-A111 PolarHBondContact O-N 2.74Å
3E97Very high96.2Very high41 Ų4120.5 Ų20.519%0.19211%0.113CC..EExtended strand (participates in β ladder)trans-148.2130.4173.1179.5166.6160.800110M1 F79 R80 M108 I109 R110M1-E3 HydrophobicContact CE-CB 4.47Å; M1-E3 WeakPolarHBondContact CE-OE2 3.38Å; E3-F79 CarbonylContact O-C 3.57Å; E3-F79 WeakPolarHBondContact O-CA 3.34Å; E3-R80 PolarHBondContact N-O 2.99Å; E3-R80 PolarHBondContact O-N 2.91Å; E3-M108 HydrophobicContact CG-CG 4.28Å; E3-M108 HydrophobicContact CG-SD 4.3Å; E3-M108 VanDerWaalsContact OE1-CE 3.31Å; E3-M108 WeakPolarHBondContact OE1-CE 3.34Å; E3-I109 VanDerWaalsContact CA-O 3.31Å; E3-I109 WeakPolarHBondContact CA-O 3.48Å; E3-R110 HydrophobicContact CB-CG 4.13Å; E3-R110 HydrophobicContact CG-CG 3.77Å
4A97.6Very high96.3Very high1 Ų125.1 Ų25.11%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-140.6133.9174.100000110.8F2 F76 V78 F79 M108 I109F2-A4 HydrophobicContact CE2-CB 4.02Å; F2-A4 HydrophobicContact CZ-CB 3.77Å; A4-F76 HydrophobicContact CB-CD1 3.75Å; A4-F76 HydrophobicContact CB-CE1 3.81Å; A4-F76 HydrophobicContact CB-CG 4.39Å; A4-F76 HydrophobicContact CB-CZ 4.5Å; A4-V78 CarbonylContact C-O 3.55Å; A4-V78 VanDerWaalsContact CA-O 3.25Å; A4-V78 WeakPolarHBondContact CA-O 3.1Å; A4-F79 HydrophobicContact CB-CD2 3.69Å; A4-F79 HydrophobicContact CB-CE2 3.95Å; A4-M108 CarbonylContact O-C 3.58Å; A4-M108 VanDerWaalsContact O-CA 3.24Å; A4-M108 WeakPolarHBondContact O-CA 3.49Å; A4-I109 HydrophobicContact CB-CG2 3.81Å; A4-I109 PolarHBondContact N-O 3.45Å; A4-I109 PolarHBondContact O-N 2.82Å
5K97.6Very high96.3Very high35 Ų3523.4 Ų23.415%0.15212%0.123CC..EExtended strand (participates in β ladder)trans-121.7126.2179.6-173.9-179.8-178.4173.70111.2F76 E77 V78 T106 F107 M108 E123K5-F76 CarbonylContact O-C 3.57Å; K5-F76 WeakPolarHBondContact O-CA 3.46Å; K5-F76 WeakPolarHBondContact O-CB 3.33Å; K5-E77 WeakPolarHBondContact CD-OE2 3.48Å; K5-E77 VanDerWaalsContact CE-OE2 3.29Å; K5-E77 WeakPolarHBondContact CE-OE2 3.33Å; K5-E77 IonicContact NZ-OE2 3.14Å; K5-E77 PolarHBondContact O-N 2.85Å; K5-V78 HydrophobicContact CB-CB 3.84Å; K5-V78 HydrophobicContact CB-CG2 4.2Å; K5-V78 HydrophobicContact CD-CG2 4.42Å; K5-V78 PolarHBondContact N-O 2.87Å; K5-T106 WeakPolarHBondContact CE-OG1 3.48Å; K5-F107 CarbonylContact C-O 3.55Å; K5-F107 WeakPolarHBondContact CA-O 3.39Å; K5-M108 HydrophobicContact CB-CB 4.25Å; K5-M108 HydrophobicContact CB-CE 4.09Å; K5-M108 HydrophobicContact CD-CE 3.92Å; K5-M108 HydrophobicContact CG-CB 4.24Å; K5-M108 HydrophobicContact CG-CE 4.23Å; K5-E123 IonicContact NZ-OE2 2.68Å
6L96.6Very high96.3Very high3 Ų322.1 Ų22.12%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-103145.5168.8-70.3170.5000110.1S8 I12 F76 T106 F107 I260L6-S8 PolarHBondContact O-N 3.46Å; L6-I12 HydrophobicContact CD1-CD1 3.66Å; L6-I12 HydrophobicContact CD1-CG1 3.69Å; L6-F76 HydrophobicContact CD1-CE1 4.09Å; L6-F76 HydrophobicContact CD2-CD1 3.51Å; L6-F76 HydrophobicContact CD2-CE1 3.68Å; L6-F76 HydrophobicContact CD2-CG 4.11Å; L6-F76 HydrophobicContact CD2-CZ 4.39Å; L6-F76 HydrophobicContact CG-CD1 3.64Å; L6-F76 HydrophobicContact CG-CE1 3.63Å; L6-T106 WeakPolarHBondContact O-CA 3.29Å; L6-T106 WeakPolarHBondContact O-CB 3.3Å; L6-F107 HydrophobicContact CD1-CD1 4.31Å; L6-F107 PolarHBondContact N-O 2.94Å; L6-F107 PolarHBondContact O-N 3.39Å; L6-I260 HydrophobicContact CD2-CD1 3.95Å
7S94.7Very high96.3Very high60 Ų6025.7 Ų25.742%0.4213%0.132SC..SBendtrans-62.8-26.1175.257.10000113.2E77S7-E77 VanDerWaalsContact CA-OE1 3.3Å; S7-E77 WeakPolarHBondContact CA-OE1 3.47Å; S7-E77 WeakPolarHBondContact CB-OE1 3.45Å
8S95.7Very high96.3Very high28 Ų2824.4 Ų24.420%0.19613%0.125CC..  trans-141.3125.1-177.3172.30000112.3L6 G10 I11 V103 D105L6-S8 PolarHBondContact O-N 3.46Å; S8-G10 PolarHBondContact O-N 3.44Å; S8-G10 PolarHBondContact OG-N 3.06Å; S8-I11 PolarHBondContact O-N 2.7Å; S8-V103 PolarHBondContact OG-O 3.15Å; S8-D105 CarbonylContact C-O 3.48Å; S8-D105 WeakPolarHBondContact CA-O 3.29Å
9A97.2Very high96.2Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-64.8-19168.900000112.4I11 I12 K13 M98 A101 D105 F107 F122A9-I11 PolarHBondContact O-N 2.84Å; A9-I12 PolarHBondContact O-N 2.7Å; A9-K13 WeakPolarHBondContact O-CG 3.39Å; A9-K13 PolarHBondContact O-N 3.3Å; A9-M98 HydrophobicContact CB-CE 4.04Å; A9-A101 HydrophobicContact CB-CB 4.04Å; A9-D105 WeakPolarHBondContact CB-O 3.24Å; A9-D105 PolarHBondContact N-O 3.33Å; A9-F107 HydrophobicContact CB-CB 4Å; A9-F122 HydrophobicContact CB-CD1 4.45Å
10G96.9Very high96Very high5 Ų525.7 Ų25.75%0.05213%0.129CC..Hα-helixtrans-54.9-37.1174.300000113.4S8 K13 K14 V103S8-G10 PolarHBondContact O-N 3.44Å; S8-G10 PolarHBondContact OG-N 3.06Å; G10-K13 PolarHBondContact O-N 3.08Å; G10-K14 VanDerWaalsContact O-CG 3.26Å; G10-K14 WeakPolarHBondContact O-CG 3.1Å; G10-K14 PolarHBondContact O-N 3.29Å; G10-V103 PolarHBondContact N-O 3.29Å
11I96.6Very high95.7Very high6 Ų628.4 Ų28.43%0.03114%0.144CC..Hα-helixtrans-61.8-53.7177.8-62.1175.8000110.2S8 A9 K13 K14 I15 I257 I260S8-I11 PolarHBondContact O-N 2.7Å; A9-I11 PolarHBondContact O-N 2.84Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.29Å; I11-K14 PolarHBondContact O-N 3.28Å; I11-I15 HydrophobicContact CG2-CD1 3.94Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 2.85Å; I11-I257 HydrophobicContact CG2-CG2 3.76Å; I11-I260 HydrophobicContact CD1-CD1 4.1Å; I11-I260 HydrophobicContact CG2-CD1 4.04Å
12I96.5Very high95.6Very high2 Ų227 Ų271%0.0114%0.138CC..Hα-helixtrans-64-38.6-179.7-61-61.1000111.5L6 A9 K14 I15 L16 L71 M94 M98 F107L6-I12 HydrophobicContact CD1-CD1 3.66Å; L6-I12 HydrophobicContact CD1-CG1 3.69Å; A9-I12 PolarHBondContact O-N 2.7Å; I12-K14 PolarHBondContact O-N 2.96Å; I12-I15 HydrophobicContact CD1-CD1 4.24Å; I12-I15 PolarHBondContact O-N 3.33Å; I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.79Å; I12-L71 HydrophobicContact CD1-CD1 4.37Å; I12-M94 HydrophobicContact CG2-CE 3.78Å; I12-M98 HydrophobicContact CB-CE 3.79Å; I12-M98 HydrophobicContact CG2-CE 3.68Å; I12-M98 HydrophobicContact CG2-CG 4.3Å; I12-M98 HydrophobicContact CG2-SD 3.97Å; I12-F107 HydrophobicContact CD1-CD1 4.31Å; I12-F107 HydrophobicContact CD1-CE1 4.14Å; I12-F107 HydrophobicContact CG1-CD1 3.55Å; I12-F107 HydrophobicContact CG1-CE1 3.71Å; I12-F107 HydrophobicContact CG1-CG 4.19Å; I12-F107 HydrophobicContact CG1-CZ 4.46Å
13K97.2Very high95.3Very high45 Ų4527.4 Ų27.420%0.19614%0.139CC..Hα-helixtrans-57.7-47.5174-77.1171.5168.2177.30111.9A9 G10 I11 L16 E17 M98 A101 N102A9-K13 WeakPolarHBondContact O-CG 3.39Å; A9-K13 PolarHBondContact O-N 3.3Å; G10-K13 PolarHBondContact O-N 3.08Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.29Å; K13-L16 PolarHBondContact O-N 3.18Å; K13-E17 WeakPolarHBondContact O-CG 3.41Å; K13-E17 PolarHBondContact O-N 3.27Å; K13-M98 WeakPolarHBondContact CE-O 3.26Å; K13-M98 HydrophobicContact CG-CB 4.16Å; K13-M98 HydrophobicContact CG-CE 4.03Å; K13-A101 PolarHBondContact NZ-O 2.93Å; K13-N102 PolarHBondContact NZ-O 3.04Å
14K97.2Very high95Very high84 Ų8429.6 Ų29.637%0.36516%0.156SC..Hα-helixtrans-63.8-40.6177.4-69.7169.3176.5-169.90111.7G10 I11 I12 E17 A18 P236 L237G10-K14 VanDerWaalsContact O-CG 3.26Å; G10-K14 WeakPolarHBondContact O-CG 3.1Å; G10-K14 PolarHBondContact O-N 3.29Å; I11-K14 PolarHBondContact O-N 3.28Å; I12-K14 PolarHBondContact O-N 2.96Å; K14-E17 PolarHBondContact O-N 2.8Å; K14-A18 WeakPolarHBondContact O-CB 3.5Å; K14-A18 PolarHBondContact O-N 2.93Å; K14-P236 HydrophobicContact CD-CB 4.29Å; K14-P236 WeakPolarHBondContact CD-O 3.49Å; K14-P236 WeakPolarHBondContact CE-O 3.47Å; K14-P236 HydrophobicContact CG-CB 4.25Å; K14-P236 PolarHBondContact NZ-O 2.98Å; K14-L237 HydrophobicContact CB-CD2 3.41Å; K14-L237 VanDerWaalsContact CB-CD2 3.41Å; K14-L237 HydrophobicContact CB-CG 3.99Å; K14-L237 HydrophobicContact CD-CD2 4.26Å
15I97.1Very high94.6Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-60.4-47.9175.6-69.6168.3000110.7I11 I12 E17 A18 I19 W28 L69 L71 L237 I257I11-I15 HydrophobicContact CG2-CD1 3.94Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 2.85Å; I12-I15 HydrophobicContact CD1-CD1 4.24Å; I12-I15 PolarHBondContact O-N 3.33Å; I15-E17 PolarHBondContact O-N 2.85Å; I15-A18 WeakPolarHBondContact O-CB 3.31Å; I15-A18 PolarHBondContact O-N 3.39Å; I15-A18 VanDerWaalsContact O-N 3.08Å; I15-I19 HydrophobicContact CG2-CD1 4.4Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 3.3Å; I15-W28 HydrophobicContact CG2-CH2 4.17Å; I15-L69 HydrophobicContact CD1-CD1 4.15Å; I15-L69 HydrophobicContact CG1-CD1 4.33Å; I15-L69 HydrophobicContact CG2-CD1 4.14Å; I15-L69 HydrophobicContact CG2-CD2 3.59Å; I15-L71 HydrophobicContact CD1-CD1 4.16Å; I15-L71 HydrophobicContact CD1-CD2 4.12Å; I15-L237 HydrophobicContact CG1-CD1 4.38Å; I15-L237 HydrophobicContact CG1-CD2 3.84Å; I15-I257 HydrophobicContact CD1-CD1 3.93Å; I15-I257 HydrophobicContact CG1-CD1 3.99Å
16L96.4Very high94.4Very high2 Ų230.4 Ų30.41%0.0116%0.162CC..Hα-helixtrans-63-42.1179.3-69.2172.6000112I12 K13 A18 I19 K20 W28 I91 M94 M98I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.79Å; K13-L16 PolarHBondContact O-N 3.18Å; L16-A18 PolarHBondContact O-N 3.34Å; L16-I19 HydrophobicContact CD2-CD1 4.45Å; L16-I19 PolarHBondContact O-N 3.15Å; L16-K20 VanDerWaalsContact O-CB 3.24Å; L16-K20 WeakPolarHBondContact O-CB 3.31Å; L16-K20 WeakPolarHBondContact O-CG 2.97Å; L16-K20 PolarHBondContact O-N 3.49Å; L16-W28 HydrophobicContact CD2-CZ2 4.48Å; L16-I91 HydrophobicContact CD2-CD1 4.47Å; L16-I91 HydrophobicContact CD2-CG2 4.16Å; L16-M94 HydrophobicContact CD1-CE 4.27Å; L16-M94 HydrophobicContact CD1-CG 3.79Å; L16-M94 HydrophobicContact CD1-SD 4.42Å; L16-M94 HydrophobicContact CD2-CB 4.45Å; L16-M94 HydrophobicContact CD2-CE 4.2Å; L16-M94 HydrophobicContact CD2-CG 3.99Å; L16-M94 HydrophobicContact CD2-SD 3.79Å; L16-M98 HydrophobicContact CD1-CB 4.14Å; L16-M98 HydrophobicContact CD1-CG 3.42Å; L16-M98 VanDerWaalsContact CD1-CG 3.42Å
17E95.6Very high94.2Very high84 Ų8431.3 Ų31.339%0.39317%0.166SC..Hα-helixtrans-59.8-33.5173.4-73.8-64.5132.900112.5K13 K14 I15 K20K13-E17 WeakPolarHBondContact O-CG 3.41Å; K13-E17 PolarHBondContact O-N 3.27Å; K14-E17 PolarHBondContact O-N 2.8Å; I15-E17 PolarHBondContact O-N 2.85Å; E17-K20 IonicContact OE1-NZ 3.25Å; E17-K20 PolarHBondContact OE1-NZ 3.37Å; E17-K20 WeakPolarHBondContact OE2-CE 3.31Å; E17-K20 IonicContact OE2-NZ 3.44Å; E17-K20 PolarHBondContact OE2-NZ 2.84Å
18A96.4Very high94.1Very high2 Ų228.6 Ų28.62%0.01715%0.147CC..Hα-helixtrans-76-19.5178.700000114.3K14 I15 L16 A234 L237 I263 Y265K14-A18 WeakPolarHBondContact O-CB 3.5Å; K14-A18 PolarHBondContact O-N 2.93Å; I15-A18 WeakPolarHBondContact O-CB 3.31Å; I15-A18 PolarHBondContact O-N 3.39Å; I15-A18 VanDerWaalsContact O-N 3.08Å; L16-A18 PolarHBondContact O-N 3.34Å; A18-A234 HydrophobicContact CB-CB 3.86Å; A18-L237 HydrophobicContact CB-CD1 4.11Å; A18-I263 HydrophobicContact CB-CD1 4.38Å; A18-Y265 WeakPolarHBondContact CB-OH 3.2Å; A18-Y265 PolarHBondContact O-OH 2.89Å
19I94.1Very high94.1Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-118.8-17.6-175.969.3180000114.8I15 L16 D21 L22 L23 W28 L37 V67 I91 I263I15-I19 HydrophobicContact CG2-CD1 4.4Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 3.3Å; L16-I19 HydrophobicContact CD2-CD1 4.45Å; L16-I19 PolarHBondContact O-N 3.15Å; I19-D21 PolarHBondContact O-N 3.09Å; I19-D21 VanDerWaalsContact O-N 3.13Å; I19-L22 WeakPolarHBondContact O-CA 3.18Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 3.41Å; I19-L23 HydrophobicContact CB-CD1 4.17Å; I19-L23 HydrophobicContact CD1-CD1 4.43Å; I19-L23 PolarHBondContact O-N 3.43Å; I19-W28 HydrophobicContact CD1-CZ2 4.48Å; I19-L37 HydrophobicContact CD1-CD1 4.46Å; I19-V67 HydrophobicContact CG2-CG1 3.96Å; I19-I91 HydrophobicContact CD1-CD1 4.03Å; I19-I91 HydrophobicContact CG1-CG2 4.33Å; I19-I263 HydrophobicContact CG2-CD1 3.54Å
20K92.2Very high93.9Very high75 Ų7527.6 Ų27.633%0.32614%0.139SC..THydrogen-bonded Turntrans-59.8-27.5-172.165.2176.4-176-176.30115.3L16 E17 I91L16-K20 VanDerWaalsContact O-CB 3.24Å; L16-K20 WeakPolarHBondContact O-CB 3.31Å; L16-K20 WeakPolarHBondContact O-CG 2.97Å; L16-K20 PolarHBondContact O-N 3.49Å; E17-K20 IonicContact OE1-NZ 3.25Å; E17-K20 PolarHBondContact OE1-NZ 3.37Å; E17-K20 WeakPolarHBondContact OE2-CE 3.31Å; E17-K20 IonicContact OE2-NZ 3.44Å; E17-K20 PolarHBondContact OE2-NZ 2.84Å; K20-I91 HydrophobicContact CB-CG2 3.92Å
21D90.2Very high93.8Very high83 Ų8333 Ų3344%0.44416%0.158SC..THydrogen-bonded Turntrans-92.2-6.2179.3-60.8-49.5000112.3I19 K233I19-D21 PolarHBondContact O-N 3.09Å; I19-D21 VanDerWaalsContact O-N 3.13Å; D21-K233 WeakPolarHBondContact OD2-CE 3.35Å; D21-K233 IonicContact OD2-NZ 2.74Å; D21-K233 PolarHBondContact OD2-NZ 3Å
22L89.6Confident93.7Very high12 Ų1238.5 Ų38.56%0.06319%0.187CC..THydrogen-bonded Turntrans-102.5-33.1176.7-62.4169000111.1I19 R41 V67 N230 F231 Y265I19-L22 WeakPolarHBondContact O-CA 3.18Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 3.41Å; L22-R41 PolarHBondContact O-NE 2.9Å; L22-R41 PolarHBondContact O-NH2 2.94Å; L22-V67 HydrophobicContact CB-CG2 4.31Å; L22-V67 HydrophobicContact CD1-CG2 3.94Å; L22-N230 HydrophobicContact CD2-CB 3.69Å; L22-N230 HydrophobicContact CG-CB 4.18Å; L22-F231 HydrophobicContact CD1-CD1 3.86Å; L22-F231 HydrophobicContact CD1-CE1 4.02Å; L22-F231 HydrophobicContact CD2-CD1 4.28Å; L22-F231 HydrophobicContact CD2-CE1 4Å; L22-Y265 HydrophobicContact CD1-CD1 3.88Å; L22-Y265 HydrophobicContact CD1-CE1 3.39Å
23L89.2Confident93.6Very high7 Ų741.7 Ų41.74%0.03721%0.21CC..  trans-130.5128.5-169.7-53.2-178.8000110.9I19 A26 L37 V39 V67 I91I19-L23 HydrophobicContact CB-CD1 4.17Å; I19-L23 HydrophobicContact CD1-CD1 4.43Å; I19-L23 PolarHBondContact O-N 3.43Å; L23-A26 HydrophobicContact CD1-CB 4.31Å; L23-L37 HydrophobicContact CD1-CD2 3.89Å; L23-V39 HydrophobicContact CD1-CB 4Å; L23-V39 HydrophobicContact CD1-CG2 3.9Å; L23-V39 HydrophobicContact CD2-CB 3.54Å; L23-V39 HydrophobicContact CD2-CG1 3.48Å; L23-V39 VanDerWaalsContact CD2-CG1 3.48Å; L23-V39 HydrophobicContact CD2-CG2 4.14Å; L23-V39 HydrophobicContact CG-CB 4.44Å; L23-V67 HydrophobicContact CD1-CB 4.36Å; L23-V67 HydrophobicContact CD1-CG2 4.38Å; L23-V67 HydrophobicContact CD2-CG2 4.34Å; L23-V67 HydrophobicContact CG-CG2 4.44Å; L23-I91 HydrophobicContact CB-CG1 4.22Å
24T90Very high93.5Very high87 Ų8739.8 Ų39.853%0.53420%0.203SC..SBendtrans-81.9-47.4171.4-52.50000110.4N90 I91T24-N90 PolarHBondContact O-ND2 3.3Å; T24-I91 WeakPolarHBondContact O-CB 3.09Å; T24-I91 PolarHBondContact O-N 3.29Å
25D90.6Very high93.4Very high52 Ų5236.1 Ų36.128%0.27819%0.187SC..EExtended strand (participates in β ladder)trans-132.4150.9-178.6-50-67000108.3L89 N90 M138 L140D25-L89 WeakPolarHBondContact CA-O 3.5Å; D25-N90 WeakPolarHBondContact OD1-CA 3.47Å; D25-N90 WeakPolarHBondContact OD1-CB 3.26Å; D25-N90 PolarHBondContact OD1-ND2 3.43Å; D25-M138 HydrophobicContact CB-CE 4.32Å; D25-M138 HydrophobicContact CB-SD 4.06Å; D25-L140 HydrophobicContact CB-CD1 4.21Å; D25-L140 HydrophobicContact CB-CD2 3.92Å
26A91.6Very high93.3Very high1 Ų137.7 Ų37.71%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-151.8147.7176.100000112.3L23 L37 V39 L89 I91 L140L23-A26 HydrophobicContact CD1-CB 4.31Å; A26-L37 HydrophobicContact CB-CD1 3.24Å; A26-L37 HydrophobicContact CB-CD2 4.23Å; A26-L37 HydrophobicContact CB-CG 3.83Å; A26-V39 HydrophobicContact CB-CG2 3.86Å; A26-L89 PolarHBondContact N-O 3.46Å; A26-L89 PolarHBondContact O-N 3.43Å; A26-I91 HydrophobicContact CB-CD1 3.89Å; A26-I91 HydrophobicContact CB-CG1 4.38Å; A26-L140 WeakPolarHBondContact O-CD1 3.45Å
27Q92.8Very high93Very high23 Ų2337.7 Ų37.711%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-91.6122.1173.4-173.7172.8-68.900109.5D29 S86 L140 T142Q27-D29 PolarHBondContact NE2-OD1 2.93Å; Q27-S86 VanDerWaalsContact CD-CB 3.46Å; Q27-S86 PolarHBondContact NE2-OG 2.91Å; Q27-L140 HydrophobicContact CB-CD1 4.19Å; Q27-L140 PolarHBondContact OE1-O 3.31Å; Q27-T142 HydrophobicContact CB-CG2 3.77Å; Q27-T142 PolarHBondContact NE2-OG1 2.83Å; Q27-T142 VanDerWaalsContact NE2-OG1 3.08Å; Q27-T142 PolarHBondContact OE1-OG1 2.98Å
28W94.1Very high92.5Very high3 Ų335 Ų351%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-96.7109172.9-64.376.2000108.9I15 L16 I19 L35 S36 L37 L69 L87 M94I15-W28 HydrophobicContact CG2-CH2 4.17Å; L16-W28 HydrophobicContact CD2-CZ2 4.48Å; I19-W28 HydrophobicContact CD1-CZ2 4.48Å; W28-L35 HydrophobicContact CB-CD1 4.15Å; W28-L35 HydrophobicContact CE3-CD1 4.31Å; W28-L35 HydrophobicContact CE3-CD2 3.47Å; W28-L35 VanDerWaalsContact CE3-CD2 3.47Å; W28-L35 HydrophobicContact CE3-CG 3.76Å; W28-L35 HydrophobicContact CZ3-CD2 3.75Å; W28-L35 HydrophobicContact CZ3-CG 4.34Å; W28-S36 CarbonylContact C-O 3.51Å; W28-L37 HydrophobicContact CD2-CB 4.43Å; W28-L37 HydrophobicContact CD2-CD1 3.83Å; W28-L37 HydrophobicContact CE3-CB 4.4Å; W28-L37 HydrophobicContact CE3-CD1 4.39Å; W28-L37 HydrophobicContact CG-CD1 4.16Å; W28-L37 HydrophobicContact CH2-CD1 4.5Å; W28-L37 HydrophobicContact CZ2-CD1 3.91Å; W28-L69 HydrophobicContact CE3-CD2 4.43Å; W28-L69 HydrophobicContact CH2-CD2 3.63Å; W28-L69 HydrophobicContact CZ3-CD2 3.51Å; W28-L87 HydrophobicContact CB-CB 4.3Å; W28-L87 PolarHBondContact N-O 3.37Å; W28-L87 PolarHBondContact O-N 2.84Å; W28-M94 HydrophobicContact CZ2-CE 4.09Å; W28-M94 HydrophobicContact CZ2-SD 4.12Å
29D93.8Very high91.6Very high5 Ų536.3 Ų36.33%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-84.9116.8178-57.6-57.8000109.9Q27 S36 S86 H144Q27-D29 PolarHBondContact NE2-OD1 2.93Å; D29-S36 PolarHBondContact N-O 2.87Å; D29-S36 PolarHBondContact O-N 2.83Å; D29-S86 PolarHBondContact OD1-OG 2.78Å; D29-H144 IonicContact OD1-CE1 3.96Å; D29-H144 IonicContact OD1-NE2 2.64Å; D29-H144 IonicContact OD2-CD2 3.91Å; D29-H144 IonicContact OD2-CE1 2.82Å; D29-H144 PolarHBondContact OD2-CE1 2.9Å; D29-H144 IonicContact OD2-NE2 2.59Å; D29-H144 PolarHBondContact OD2-NE2 2.87Å
30C94.9Very high90.4Very high1 Ų137.8 Ų37.81%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-95.9120.2176.5-52.20000108F2 L35 C81 S84 M85F2-C30 HydrophobicContact CD1-CB 4.29Å; F2-C30 HydrophobicContact CD2-CB 3.73Å; F2-C30 HydrophobicContact CE1-CB 4.35Å; F2-C30 WeakPolarHBondContact CE1-SG 3.22Å; F2-C30 HydrophobicContact CE2-CB 3.81Å; F2-C30 HydrophobicContact CG-CB 3.98Å; F2-C30 HydrophobicContact CZ-CB 4.13Å; C30-L35 HydrophobicContact CB-CD1 4.36Å; C30-L35 WeakPolarHBondContact SG-CD1 3.44Å; C30-C81 VanDerWaalsContact C-SG 3.6Å; C30-C81 PolarHBondContact O-SG 2.86Å; C30-S84 VanDerWaalsContact O-CA 3.27Å; C30-S84 WeakPolarHBondContact O-CA 3.45Å; C30-M85 HydrophobicContact CB-CG 3.81Å; C30-M85 WeakPolarHBondContact CB-O 3.27Å; C30-M85 PolarHBondContact N-O 3.46Å; C30-M85 PolarHBondContact O-N 3.34Å; C30-M85 VanDerWaalsContact O-N 3.1Å
31R94.2Very high88.9Confident118 Ų11839 Ų3945%0.44521%0.206SC..EExtended strand (participates in β ladder)trans-129.8169.4174.8-58.6-172.9-176.2-174.22.5109.6S33 G34 F79 C81R31-S33 PolarHBondContact O-N 2.71Å; R31-G34 PolarHBondContact N-O 2.84Å; R31-G34 PolarHBondContact O-N 2.81Å; R31-G34 VanDerWaalsContact O-O 3.05Å; R31-F79 WeakPolarHBondContact O-CE1 3.44Å; R31-F79 WeakPolarHBondContact O-CZ 3.32Å; R31-C81 WeakPolarHBondContact O-CB 3.2Å
32D94.3Very high87.4Confident123 Ų12337.4 Ų37.466%0.65820%0.201SC*.THydrogen-bonded Turntrans-57.8-33.9172.560-14.9000113.1G34 A73D32-G34 VanDerWaalsContact C-N 3.34Å; D32-A73 WeakPolarHBondContact O-CB 3.18Å
33S95Very high85.8Confident68 Ų6836.9 Ų36.948%0.47620%0.199SC..THydrogen-bonded Turntrans-75.9-14.1177.951.10000114.8R31 A73R31-S33 PolarHBondContact O-N 2.71Å; S33-A73 PolarHBondContact O-N 2.77Å
34G95.4Very high84.1Confident5 Ų540.1 Ų40.15%0.05221%0.213CC..EExtended strand (participates in β ladder)trans146.3-165.3-178.600000114.7R31 D32 L71 F79R31-G34 PolarHBondContact N-O 2.84Å; R31-G34 PolarHBondContact O-N 2.81Å; R31-G34 VanDerWaalsContact O-O 3.05Å; D32-G34 VanDerWaalsContact C-N 3.34Å; G34-L71 CarbonylContact C-O 3.55Å; G34-L71 WeakPolarHBondContact CA-O 3.38Å; G34-F79 VanDerWaalsContact CA-CZ 3.44Å
35L94.9Very high82.2Confident7 Ų740.4 Ų40.44%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-109.2128.7176.2-17168.3000109.2F2 W28 C30 L71 F76F2-L35 HydrophobicContact CZ-CD1 4.13Å; W28-L35 HydrophobicContact CB-CD1 4.15Å; W28-L35 HydrophobicContact CE3-CD1 4.31Å; W28-L35 HydrophobicContact CE3-CD2 3.47Å; W28-L35 VanDerWaalsContact CE3-CD2 3.47Å; W28-L35 HydrophobicContact CE3-CG 3.76Å; W28-L35 HydrophobicContact CZ3-CD2 3.75Å; W28-L35 HydrophobicContact CZ3-CG 4.34Å; C30-L35 HydrophobicContact CB-CD1 4.36Å; C30-L35 WeakPolarHBondContact SG-CD1 3.44Å; L35-L71 HydrophobicContact CB-CB 4.41Å; L35-L71 HydrophobicContact CD2-CD1 4.47Å; L35-L71 PolarHBondContact N-O 2.94Å; L35-L71 PolarHBondContact O-N 2.84Å; L35-F76 HydrophobicContact CB-CZ 4.31Å
36S94.2Very high80.5Confident33 Ų3339.1 Ų39.123%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-132.9156.517756.30000111.7W28 D29 L69W28-S36 CarbonylContact C-O 3.51Å; D29-S36 PolarHBondContact N-O 2.87Å; D29-S36 PolarHBondContact O-N 2.83Å; S36-L69 CarbonylContact C-O 3.55Å; S36-L69 VanDerWaalsContact CA-O 3.26Å; S36-L69 WeakPolarHBondContact CA-O 3.24Å; S36-L69 WeakPolarHBondContact CB-O 3.37Å
37L90.4Very high78.8Confident2 Ų240.4 Ų40.41%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-142129.2171.4171.7164.1000107.1I19 L23 A26 W28 V39 L69I19-L37 HydrophobicContact CD1-CD1 4.46Å; L23-L37 HydrophobicContact CD1-CD2 3.89Å; A26-L37 HydrophobicContact CB-CD1 3.24Å; A26-L37 HydrophobicContact CB-CD2 4.23Å; A26-L37 HydrophobicContact CB-CG 3.83Å; W28-L37 HydrophobicContact CD2-CB 4.43Å; W28-L37 HydrophobicContact CD2-CD1 3.83Å; W28-L37 HydrophobicContact CE3-CB 4.4Å; W28-L37 HydrophobicContact CE3-CD1 4.39Å; W28-L37 HydrophobicContact CG-CD1 4.16Å; W28-L37 HydrophobicContact CH2-CD1 4.5Å; W28-L37 HydrophobicContact CZ2-CD1 3.91Å; L37-V39 HydrophobicContact CD2-CG2 3.86Å; L37-V39 HydrophobicContact CG-CG2 4.38Å; L37-L69 HydrophobicContact CB-CB 4.31Å; L37-L69 HydrophobicContact CB-CD2 4.45Å; L37-L69 PolarHBondContact N-O 2.88Å; L37-L69 PolarHBondContact O-N 2.79Å
38Q84.2Confident76.8Confident29 Ų2946.5 Ų46.514%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-126.4124.6171-170.3-178.237.300107.9L66 V67 L145Q38-L66 HydrophobicContact CG-CD1 4.36Å; Q38-L66 HydrophobicContact CG-CD2 4.22Å; Q38-L66 HydrophobicContact CG-CG 4.42Å; Q38-V67 WeakPolarHBondContact CA-O 3.23Å; Q38-L145 PolarHBondContact NE2-O 2.85Å; Q38-L145 PolarHBondContact OE1-O 3.37Å
39V77.7Confident74.2Confident29 Ų2951.3 Ų51.318%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-130.2119169.9-176.70000108.3L23 A26 L37 L66 V67L23-V39 HydrophobicContact CD1-CB 4Å; L23-V39 HydrophobicContact CD1-CG2 3.9Å; L23-V39 HydrophobicContact CD2-CB 3.54Å; L23-V39 HydrophobicContact CD2-CG1 3.48Å; L23-V39 VanDerWaalsContact CD2-CG1 3.48Å; L23-V39 HydrophobicContact CD2-CG2 4.14Å; L23-V39 HydrophobicContact CG-CB 4.44Å; A26-V39 HydrophobicContact CB-CG2 3.86Å; L37-V39 HydrophobicContact CD2-CG2 3.86Å; L37-V39 HydrophobicContact CG-CG2 4.38Å; V39-L66 WeakPolarHBondContact O-CA 3.35Å; V39-V67 PolarHBondContact N-O 2.85Å; V39-V67 PolarHBondContact O-N 3.14Å
40S68.6Low71.7Confident30 Ų3056.6 Ų56.621%0.2130%0.302CS..EExtended strand (participates in β ladder)trans-96.8131.2170.7-175.40000109L43 L145S40-L43 PolarHBondContact OG-N 2.93Å; S40-L145 VanDerWaalsContact CB-CD1 3.46Å; S40-L145 WeakPolarHBondContact OG-CD1 3.31Å
41R61.2Low69Low102 Ų10264.4 Ų64.439%0.38534%0.343SS..EExtended strand (participates in β ladder)trans-100.488.5156.7-68-172.2180-150.31.4106.2L22 L43 H63 V64 A65L22-R41 PolarHBondContact O-NE 2.9Å; L22-R41 PolarHBondContact O-NH2 2.94Å; R41-L43 PolarHBondContact O-N 2.94Å; R41-H63 CarbonylContact O-C 3.58Å; R41-H63 VanDerWaalsContact O-O 3.05Å; R41-V64 PolarHBondContact O-N 3.41Å; R41-A65 PolarHBondContact N-O 2.83Å
42S59Low66.1Low48 Ų4862.4 Ų62.434%0.33635%0.347SS..SBendtrans45.450.6171.6-173.10000115M59 H63S42-M59 WeakPolarHBondContact O-CE 3.39Å; S42-H63 CarbonylContact C-O 3.57Å
43L56.8Low63.3Low2 Ų262 Ų621%0.0136%0.36CS..  trans-92.29.8164.3-84.2-171.2000113.9S40 R41 N45 A46 F47 V64 L66 A268S40-L43 PolarHBondContact OG-N 2.93Å; R41-L43 PolarHBondContact O-N 2.94Å; L43-N45 VanDerWaalsContact C-N 3.25Å; L43-N45 PolarHBondContact O-N 3.11Å; L43-N45 VanDerWaalsContact O-N 3.17Å; L43-A46 HydrophobicContact CD2-CB 3.73Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 3.18Å; L43-F47 HydrophobicContact CD1-CE2 4.35Å; L43-V64 HydrophobicContact CD2-CG1 4.39Å; L43-V64 WeakPolarHBondContact CD2-O 3.45Å; L43-L66 HydrophobicContact CB-CB 4.47Å; L43-L66 HydrophobicContact CD1-CB 3.67Å; L43-L66 HydrophobicContact CG-CB 4.49Å; L43-A268 HydrophobicContact CD2-CB 3.83Å
44Q52.3Low60.6Low75 Ų7562.1 Ų62.135%0.3536%0.361SS..Hα-helixtrans-49.4-46.5-175.7-91.7159.5-17.100112.9A46 E143 L145Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 2.79Å; Q44-E143 PolarHBondContact NE2-OE2 3.1Å; Q44-L145 HydrophobicContact CG-CD1 3.83Å; Q44-L145 HydrophobicContact CG-CD2 3.31Å; Q44-L145 HydrophobicContact CG-CG 4.23Å
45N50.6Low57.8Low92 Ų9266.1 Ų66.149%0.49239%0.386SS..Hα-helixtrans-78.5-15.7-175.9-60.7-16.2000113.7L43L43-N45 VanDerWaalsContact C-N 3.25Å; L43-N45 PolarHBondContact O-N 3.11Å; L43-N45 VanDerWaalsContact O-N 3.17Å
46A55.1Low55.2Low26 Ų2670.9 Ų70.922%0.21541%0.411CS..Hα-helixtrans-79.1-20.2-173.800000113.4L43 Q44 P250 A268L43-A46 HydrophobicContact CD2-CB 3.73Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 3.18Å; Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 2.79Å; A46-P250 HydrophobicContact CB-CG 3.84Å; A46-A268 HydrophobicContact CB-CB 4.48Å
47F54.6Low52.3Low27 Ų2775.2 Ų75.212%0.11843%0.432CS..Hα-helixtrans-101.1-17.8177.4-73.3-76.7000113.7L43 I147 P148 P250 Y266L43-F47 HydrophobicContact CD1-CE2 4.35Å; F47-I147 HydrophobicContact CE1-CG2 4.37Å; F47-P148 HydrophobicContact CB-CG 4.24Å; F47-P148 VanDerWaalsContact CD1-CD 3.47Å; F47-P148 HydrophobicContact CD1-CG 3.71Å; F47-P148 HydrophobicContact CG-CG 4.38Å; F47-P250 HydrophobicContact CZ-CB 4.41Å; F47-P250 HydrophobicContact CZ-CG 4.33Å; F47-Y266 HydrophobicContact CE1-CD1 4.17Å; F47-Y266 HydrophobicContact CE1-CE1 4.4Å; F47-Y266 HydrophobicContact CE2-CG 4.4Å; F47-Y266 AromaticContact CZ-CD1 3.53Å; F47-Y266 HydrophobicContact CZ-CD1 3.53Å; F47-Y266 HydrophobicContact CZ-CD2 4.45Å; F47-Y266 HydrophobicContact CZ-CE1 4.06Å; F47-Y266 AromaticContact CZ-CG 3.73Å; F47-Y266 HydrophobicContact CZ-CG 3.73Å
48E51.8Low49.5Very low152 Ų15280 Ų8071%0.7147%0.471SS*.SBendtrans-920.5-172.9-70.9-169.1163.700115
49L39.9Very low47.1Very low104 Ų10481.8 Ų81.855%0.54548%0.481SS..  trans-13793.2-172.9-66.1172.9000114.1L51 C52L49-L51 VanDerWaalsContact C-N 3.28Å; L49-C52 HydrophobicContact CD1-CB 4.38Å; L49-C52 HydrophobicContact CD2-CB 4.17Å
50P40.4Very low45.1Very low116 Ų11684.6 Ų84.675%0.75350%0.495SS*.SBendtrans-831161.4-5.623.7000113.3
51L37.8Very low43.9Very low164 Ų16488.4 Ų88.486%0.85952%0.521SS*.SBendtrans-141.97.8-159.4-88.4161.5000117.3L49L49-L51 VanDerWaalsContact C-N 3.28Å
52C33.2Very low43.3Very low77 Ų7786.1 Ų86.152%0.5252%0.521SS..  trans-109.599.2174.4-146.40000111.2L49 S54L49-C52 HydrophobicContact CD1-CB 4.38Å; L49-C52 HydrophobicContact CD2-CB 4.17Å; C52-S54 PolarHBondContact O-N 3.14Å
53A37.1Very low43.1Very low115 Ų11587.5 Ų87.595%0.9552%0.522SS*.  trans-69.146.4165.200000112
54S37.5Very low44Very low70 Ų7088.7 Ų88.749%0.4953%0.529SS..SBendtrans-98.2123.2160.857.90000106.5C52 L56C52-S54 PolarHBondContact O-N 3.14Å; S54-L56 PolarHBondContact O-N 3.5Å
55P36.1Very low45.6Very low89 Ų8985.5 Ų85.558%0.57852%0.515SS*.  trans-57.5132.8-178.728.3-35000107.8N57P55-N57 HydrophobicContact CB-CB 4.46Å; P55-N57 WeakPolarHBondContact CB-OD1 3.4Å; P55-N57 HydrophobicContact CG-CB 4.47Å; P55-N57 VanDerWaalsContact CG-ND2 3.26Å; P55-N57 WeakPolarHBondContact CG-ND2 3.44Å; P55-N57 PolarHBondContact O-N 3.01Å
56L40.9Very low47.5Very low106 Ų10681.1 Ų81.156%0.55549%0.492SS*.  trans-64.449.2168.5-105133.9000109.5S54 A58 M59 I271S54-L56 PolarHBondContact O-N 3.5Å; L56-A58 PolarHBondContact O-N 2.67Å; L56-M59 HydrophobicContact CD2-CB 4.38Å; L56-M59 HydrophobicContact CD2-CG 3.94Å; L56-M59 HydrophobicContact CD2-SD 3.39Å; L56-M59 WeakPolarHBondContact CD2-SD 3.44Å; L56-I271 HydrophobicContact CB-CD1 3.39Å
57N33Very low49.2Very low125 Ų12580 Ų8067%0.66848%0.483SS*.THydrogen-bonded Turntrans-78104.9173.7-71-11.1000105.6P55P55-N57 HydrophobicContact CB-CB 4.46Å; P55-N57 WeakPolarHBondContact CB-OD1 3.4Å; P55-N57 HydrophobicContact CG-CB 4.47Å; P55-N57 VanDerWaalsContact CG-ND2 3.26Å; P55-N57 WeakPolarHBondContact CG-ND2 3.44Å; P55-N57 PolarHBondContact O-N 3.01Å
58A32.7Very low51.1Low102 Ų10279.2 Ų79.284%0.84348%0.481SS*.THydrogen-bonded Turntrans104.333.7173.500000118.3L56L56-A58 PolarHBondContact O-N 2.67Å
59M33.4Very low53.2Low67 Ų6772.2 Ų72.233%0.3345%0.448SS..  trans-85.8118.4148.7-77.6-176.39900108.7S42 L56S42-M59 WeakPolarHBondContact O-CE 3.39Å; L56-M59 HydrophobicContact CD2-CB 4.38Å; L56-M59 HydrophobicContact CD2-CG 3.94Å; L56-M59 HydrophobicContact CD2-SD 3.39Å; L56-M59 WeakPolarHBondContact CD2-SD 3.44Å
60D35.9Very low55.8Low88 Ų8870.9 Ų70.947%0.47144%0.438SS..  trans-58.8148172.882.143000110.1S62 H63D60-S62 PolarHBondContact O-N 2.78Å; D60-S62 WeakPolarHBondContact OD1-CA 3.45Å; D60-S62 VanDerWaalsContact OD1-CB 3.24Å; D60-S62 WeakPolarHBondContact OD1-CB 3.32Å; D60-S62 PolarHBondContact OD1-N 3.35Å; D60-S62 PolarHBondContact OD1-OG 2.73Å; D60-H63 IonicContact OD1-CD2 2.82Å; D60-H63 PolarHBondContact OD1-CD2 3.06Å; D60-H63 VanDerWaalsContact OD1-CD2 3.28Å; D60-H63 IonicContact OD1-CG 3.26Å; D60-H63 IonicContact OD2-CD2 3.39Å; D60-H63 PolarHBondContact OD2-CD2 3.29Å; D60-H63 IonicContact OD2-NE2 3.48Å
61S42.4Very low58.5Low110 Ų11065.4 Ų65.477%0.76940%0.402SS*.THydrogen-bonded Turntrans-66.51.9-175.153.10000114.8Y227S61-Y227 PolarHBondContact O-OH 2.91Å
62S49.3Very low61.4Low54 Ų5459.8 Ų59.838%0.37837%0.374SS..THydrogen-bonded Turntrans-98.5-0.9-173.380.50000114.3D60 Y227D60-S62 PolarHBondContact O-N 2.78Å; D60-S62 WeakPolarHBondContact OD1-CA 3.45Å; D60-S62 VanDerWaalsContact OD1-CB 3.24Å; D60-S62 WeakPolarHBondContact OD1-CB 3.32Å; D60-S62 PolarHBondContact OD1-N 3.35Å; D60-S62 PolarHBondContact OD1-OG 2.73Å; S62-Y227 PolarHBondContact O-OH 3.03Å
63H53.9Low64.4Low76 Ų7657.1 Ų57.135%0.35236%0.357SS..  trans-134.747.4-161.3-83.9-32.3000113.5R41 S42 D60R41-H63 CarbonylContact O-C 3.58Å; R41-H63 VanDerWaalsContact O-O 3.05Å; S42-H63 CarbonylContact C-O 3.57Å; D60-H63 IonicContact OD1-CD2 2.82Å; D60-H63 PolarHBondContact OD1-CD2 3.06Å; D60-H63 VanDerWaalsContact OD1-CD2 3.28Å; D60-H63 IonicContact OD1-CG 3.26Å; D60-H63 IonicContact OD2-CD2 3.39Å; D60-H63 PolarHBondContact OD2-CD2 3.29Å; D60-H63 IonicContact OD2-NE2 3.48Å
64V75.9Confident67.2Low28 Ų2858.1 Ų58.117%0.1735%0.346CS..  trans-127.815.6-163.5-157.50000113.9R41 L43 L267 A268R41-V64 PolarHBondContact O-N 3.41Å; L43-V64 HydrophobicContact CD2-CG1 4.39Å; L43-V64 WeakPolarHBondContact CD2-O 3.45Å; V64-L267 HydrophobicContact CB-CD1 4.31Å; V64-L267 HydrophobicContact CG1-CD1 4.28Å; V64-L267 WeakPolarHBondContact O-CA 3.49Å; V64-L267 WeakPolarHBondContact O-CD1 3.4Å; V64-A268 HydrophobicContact CG1-CB 3.18Å; V64-A268 PolarHBondContact O-N 3.16Å; V64-A268 VanDerWaalsContact O-N 3.16Å
65A86.4Confident69.8Low7 Ų755.8 Ų55.86%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-136.8144.3-174.400000114.9R41 Y227 F231 Y266R41-A65 PolarHBondContact N-O 2.83Å; A65-Y227 HydrophobicContact CB-CD1 3.72Å; A65-Y227 HydrophobicContact CB-CE1 3.8Å; A65-F231 HydrophobicContact CB-CE1 4.36Å; A65-F231 HydrophobicContact CB-CZ 4Å; A65-Y266 CarbonylContact C-O 3.51Å; A65-Y266 WeakPolarHBondContact CA-O 3.45Å
66L89.5Confident72.7Confident0 Ų052.6 Ų52.60%031%0.311CS..EExtended strand (participates in β ladder)trans-125.2137.4172.8-178154.1000110Q38 V39 L43 A68 L145 I147 Y265 Y266Q38-L66 HydrophobicContact CG-CD1 4.36Å; Q38-L66 HydrophobicContact CG-CD2 4.22Å; Q38-L66 HydrophobicContact CG-CG 4.42Å; V39-L66 WeakPolarHBondContact O-CA 3.35Å; L43-L66 HydrophobicContact CB-CB 4.47Å; L43-L66 HydrophobicContact CD1-CB 3.67Å; L43-L66 HydrophobicContact CG-CB 4.49Å; L66-A68 HydrophobicContact CD2-CB 3.85Å; L66-L145 HydrophobicContact CD1-CB 4.23Å; L66-L145 HydrophobicContact CD1-CD1 3.99Å; L66-I147 HydrophobicContact CD2-CD1 3.97Å; L66-Y265 CarbonylContact O-C 3.53Å; L66-Y265 WeakPolarHBondContact O-CA 3.26Å; L66-Y266 HydrophobicContact CB-CD2 4.3Å; L66-Y266 HydrophobicContact CD2-CD2 3.54Å; L66-Y266 HydrophobicContact CD2-CE2 3.92Å; L66-Y266 HydrophobicContact CG-CD2 4.46Å; L66-Y266 PolarHBondContact N-O 3.08Å; L66-Y266 PolarHBondContact O-N 2.87Å
67V92.2Very high75.3Confident3 Ų352.8 Ų52.82%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-110.8125.8171.2-171.80000108.3I19 L22 L23 Q38 V39 I263 Y265I19-V67 HydrophobicContact CG2-CG1 3.96Å; L22-V67 HydrophobicContact CB-CG2 4.31Å; L22-V67 HydrophobicContact CD1-CG2 3.94Å; L23-V67 HydrophobicContact CD1-CB 4.36Å; L23-V67 HydrophobicContact CD1-CG2 4.38Å; L23-V67 HydrophobicContact CD2-CG2 4.34Å; L23-V67 HydrophobicContact CG-CG2 4.44Å; Q38-V67 WeakPolarHBondContact CA-O 3.23Å; V39-V67 PolarHBondContact N-O 2.85Å; V39-V67 PolarHBondContact O-N 3.14Å; V67-I263 HydrophobicContact CG1-CD1 4.07Å; V67-I263 HydrophobicContact CG1-CG1 4.23Å; V67-Y265 HydrophobicContact CB-CD1 4.4Å; V67-Y265 HydrophobicContact CB-CE1 4.48Å; V67-Y265 HydrophobicContact CG1-CD1 4.13Å; V67-Y265 HydrophobicContact CG1-CE1 3.85Å; V67-Y265 HydrophobicContact CG2-CD1 3.9Å; V67-Y265 HydrophobicContact CG2-CE1 4Å
68A93.3Very high78.3Confident10 Ų1049.8 Ų49.88%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-123.5110.1172.800000109.6L66 I147 R264 Y266L66-A68 HydrophobicContact CD2-CB 3.85Å; A68-I147 HydrophobicContact CB-CD1 3.91Å; A68-R264 HydrophobicContact CB-CB 4.35Å; A68-R264 PolarHBondContact N-O 2.93Å; A68-R264 PolarHBondContact O-N 2.96Å; A68-Y266 HydrophobicContact CB-CE2 4.41Å
69L95.9Very high81.3Confident5 Ų547.1 Ų47.13%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-106.7134.9175.1174.672.9000109I15 W28 S36 L37 L71 I257 I263I15-L69 HydrophobicContact CD1-CD1 4.15Å; I15-L69 HydrophobicContact CG1-CD1 4.33Å; I15-L69 HydrophobicContact CG2-CD1 4.14Å; I15-L69 HydrophobicContact CG2-CD2 3.59Å; W28-L69 HydrophobicContact CE3-CD2 4.43Å; W28-L69 HydrophobicContact CH2-CD2 3.63Å; W28-L69 HydrophobicContact CZ3-CD2 3.51Å; S36-L69 CarbonylContact C-O 3.55Å; S36-L69 VanDerWaalsContact CA-O 3.26Å; S36-L69 WeakPolarHBondContact CA-O 3.24Å; S36-L69 WeakPolarHBondContact CB-O 3.37Å; L37-L69 HydrophobicContact CB-CB 4.31Å; L37-L69 HydrophobicContact CB-CD2 4.45Å; L37-L69 PolarHBondContact N-O 2.88Å; L37-L69 PolarHBondContact O-N 2.79Å; L69-L71 HydrophobicContact CD1-CD2 4.45Å; L69-I257 HydrophobicContact CD1-CD1 3.47Å; L69-I257 VanDerWaalsContact CD1-CD1 3.47Å; L69-I263 HydrophobicContact CD1-CB 4.06Å
70K95.7Very high84.4Confident77 Ų7750.1 Ų50.134%0.33527%0.272SS..EExtended strand (participates in β ladder)trans-137.7131.2172.8-173.3-179.9-178-172.90110N72 G261 Y262K70-N72 VanDerWaalsContact CE-OD1 3.24Å; K70-N72 WeakPolarHBondContact CE-OD1 3.24Å; K70-G261 CarbonylContact O-C 3.55Å; K70-G261 WeakPolarHBondContact O-CA 3.38Å; K70-Y262 HydrophobicContact CB-CD1 4.46Å; K70-Y262 HydrophobicContact CB-CD2 4.34Å; K70-Y262 HydrophobicContact CB-CE1 3.97Å; K70-Y262 HydrophobicContact CB-CE2 3.83Å; K70-Y262 HydrophobicContact CD-CE1 3.89Å; K70-Y262 WeakPolarHBondContact CD-OH 3.24Å; K70-Y262 HydrophobicContact CG-CE1 4.47Å; K70-Y262 PolarHBondContact N-O 3.29Å; K70-Y262 PolarHBondContact O-N 3.12Å
71L97.4Very high87.2Confident0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-122.5117.2169.9-54.4178.2000107.8I12 I15 G34 L35 L69 F76 I257 I260I12-L71 HydrophobicContact CD1-CD1 4.37Å; I15-L71 HydrophobicContact CD1-CD1 4.16Å; I15-L71 HydrophobicContact CD1-CD2 4.12Å; G34-L71 CarbonylContact C-O 3.55Å; G34-L71 WeakPolarHBondContact CA-O 3.38Å; L35-L71 HydrophobicContact CB-CB 4.41Å; L35-L71 HydrophobicContact CD2-CD1 4.47Å; L35-L71 PolarHBondContact N-O 2.94Å; L35-L71 PolarHBondContact O-N 2.84Å; L69-L71 HydrophobicContact CD1-CD2 4.45Å; L71-F76 HydrophobicContact CB-CE2 3.9Å; L71-F76 HydrophobicContact CB-CZ 3.87Å; L71-F76 HydrophobicContact CD1-CZ 4.07Å; L71-I257 HydrophobicContact CD2-CB 4.46Å; L71-I257 HydrophobicContact CD2-CD1 3.84Å; L71-I257 HydrophobicContact CD2-CG2 4.25Å; L71-I260 CarbonylContact C-O 3.56Å; L71-I260 WeakPolarHBondContact CA-O 3.5Å; L71-I260 HydrophobicContact CD2-CD1 3.88Å; L71-I260 HydrophobicContact CD2-CG1 4.07Å
72N97.1Very high89.7Confident47 Ų4745.3 Ų45.325%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-74144.8-179.7-57-40.7000110.9K70 D74 G75 F76 I260K70-N72 VanDerWaalsContact CE-OD1 3.24Å; K70-N72 WeakPolarHBondContact CE-OD1 3.24Å; N72-D74 VanDerWaalsContact C-N 3.27Å; N72-D74 WeakPolarHBondContact CB-OD1 3.36Å; N72-D74 PolarHBondContact O-N 2.88Å; N72-G75 PolarHBondContact O-N 2.7Å; N72-G75 VanDerWaalsContact O-N 3.08Å; N72-F76 VanDerWaalsContact O-CD2 3.24Å; N72-F76 WeakPolarHBondContact O-CD2 3.24Å; N72-F76 WeakPolarHBondContact O-CE2 3.34Å; N72-I260 PolarHBondContact N-O 2.9Å
73A96.8Very high91.8Very high21 Ų2150.6 Ų50.617%0.17425%0.25CS..G310 helixtrans-59.3-33.4-177.400000114D32 S33 G75 F76 F79D32-A73 WeakPolarHBondContact O-CB 3.18Å; S33-A73 PolarHBondContact O-N 2.77Å; A73-G75 PolarHBondContact O-N 3.42Å; A73-F76 PolarHBondContact O-N 2.79Å; A73-F79 HydrophobicContact CB-CB 4.41Å; A73-F79 HydrophobicContact CB-CD1 3.49Å; A73-F79 VanDerWaalsContact CB-CD1 3.49Å; A73-F79 HydrophobicContact CB-CD2 4.23Å; A73-F79 HydrophobicContact CB-CE1 3.7Å; A73-F79 HydrophobicContact CB-CE2 4.41Å; A73-F79 HydrophobicContact CB-CG 3.78Å; A73-F79 HydrophobicContact CB-CZ 4.17Å
74D95.2Very high93.6Very high135 Ų13551.3 Ų51.372%0.72226%0.264SS*.G310 helixtrans-68.9-14.4178.160.8-17.3000113.7N72 F76N72-D74 VanDerWaalsContact C-N 3.27Å; N72-D74 WeakPolarHBondContact CB-OD1 3.36Å; N72-D74 PolarHBondContact O-N 2.88Å; D74-F76 VanDerWaalsContact C-N 3.34Å
75G93.5Very high94.4Very high22 Ų2251.4 Ų51.423%0.22726%0.263CS..G310 helixtrans-81.6-6.4174.500000115.4N72 A73 I260N72-G75 PolarHBondContact O-N 2.7Å; N72-G75 VanDerWaalsContact O-N 3.08Å; A73-G75 PolarHBondContact O-N 3.42Å; G75-I260 WeakPolarHBondContact O-CG2 3.36Å
76F96.1Very high94.7Very high22 Ų2254 Ų5410%0.09628%0.281CS..SBendtrans-100.4147-178.8-66-97.2000111.2A4 K5 L6 L35 L71 N72 A73 D74 V78 F79A4-F76 HydrophobicContact CB-CD1 3.75Å; A4-F76 HydrophobicContact CB-CE1 3.81Å; A4-F76 HydrophobicContact CB-CG 4.39Å; A4-F76 HydrophobicContact CB-CZ 4.5Å; K5-F76 CarbonylContact O-C 3.57Å; K5-F76 WeakPolarHBondContact O-CA 3.46Å; K5-F76 WeakPolarHBondContact O-CB 3.33Å; L6-F76 HydrophobicContact CD1-CE1 4.09Å; L6-F76 HydrophobicContact CD2-CD1 3.51Å; L6-F76 HydrophobicContact CD2-CE1 3.68Å; L6-F76 HydrophobicContact CD2-CG 4.11Å; L6-F76 HydrophobicContact CD2-CZ 4.39Å; L6-F76 HydrophobicContact CG-CD1 3.64Å; L6-F76 HydrophobicContact CG-CE1 3.63Å; L35-F76 HydrophobicContact CB-CZ 4.31Å; L71-F76 HydrophobicContact CB-CE2 3.9Å; L71-F76 HydrophobicContact CB-CZ 3.87Å; L71-F76 HydrophobicContact CD1-CZ 4.07Å; N72-F76 VanDerWaalsContact O-CD2 3.24Å; N72-F76 WeakPolarHBondContact O-CD2 3.24Å; N72-F76 WeakPolarHBondContact O-CE2 3.34Å; A73-F76 PolarHBondContact O-N 2.79Å; D74-F76 VanDerWaalsContact C-N 3.34Å; F76-V78 VanDerWaalsContact C-N 3.3Å; F76-V78 WeakPolarHBondContact CB-O 3.39Å; F76-F79 HydrophobicContact CB-CB 4.04Å; F76-F79 HydrophobicContact CB-CD2 4.13Å; F76-F79 HydrophobicContact CD1-CD2 4.33Å; F76-F79 AromaticContact CD2-CD2 3.49Å; F76-F79 HydrophobicContact CD2-CD2 3.49Å; F76-F79 VanDerWaalsContact CD2-CD2 3.49Å; F76-F79 AromaticContact CD2-CE2 4Å; F76-F79 HydrophobicContact CD2-CE2 4Å; F76-F79 HydrophobicContact CD2-CG 4.41Å; F76-F79 AromaticContact CE2-CD2 3.88Å; F76-F79 HydrophobicContact CE2-CD2 3.88Å; F76-F79 AromaticContact CE2-CE2 3.9Å; F76-F79 HydrophobicContact CE2-CE2 3.9Å; F76-F79 AromaticContact CG-CD2 3.74Å; F76-F79 HydrophobicContact CG-CD2 3.74Å; F76-F79 HydrophobicContact CZ-CD2 4.45Å; F76-F79 HydrophobicContact CZ-CE2 4.35Å
77E95.4Very high94.9Very high109 Ų10954.2 Ų54.251%0.50928%0.282SS..SBendtrans-66.6-36.8173.5-64.9-175.1164.500111.7K5 S7K5-E77 WeakPolarHBondContact CD-OE2 3.48Å; K5-E77 VanDerWaalsContact CE-OE2 3.29Å; K5-E77 WeakPolarHBondContact CE-OE2 3.33Å; K5-E77 IonicContact NZ-OE2 3.14Å; K5-E77 PolarHBondContact O-N 2.85Å; S7-E77 VanDerWaalsContact CA-OE1 3.3Å; S7-E77 WeakPolarHBondContact CA-OE1 3.47Å; S7-E77 WeakPolarHBondContact CB-OE1 3.45Å
78V95.7Very high95.1Very high62 Ų6254.2 Ų54.238%0.37628%0.283SS..EExtended strand (participates in β ladder)trans-134.3128.9174.41800000106.6A4 K5 F76A4-V78 CarbonylContact C-O 3.55Å; A4-V78 VanDerWaalsContact CA-O 3.25Å; A4-V78 WeakPolarHBondContact CA-O 3.1Å; K5-V78 HydrophobicContact CB-CB 3.84Å; K5-V78 HydrophobicContact CB-CG2 4.2Å; K5-V78 HydrophobicContact CD-CG2 4.42Å; K5-V78 PolarHBondContact N-O 2.87Å; F76-V78 VanDerWaalsContact C-N 3.3Å; F76-V78 WeakPolarHBondContact CB-O 3.39Å
79F97.2Very high95.1Very high47 Ų4753.9 Ų53.921%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-141.6126.6173.3-164.5-88.4000110.5F2 E3 A4 R31 G34 A73 F76 C81F2-F79 HydrophobicContact CE2-CE2 4.06Å; F2-F79 HydrophobicContact CE2-CZ 4.07Å; E3-F79 CarbonylContact O-C 3.57Å; E3-F79 WeakPolarHBondContact O-CA 3.34Å; A4-F79 HydrophobicContact CB-CD2 3.69Å; A4-F79 HydrophobicContact CB-CE2 3.95Å; R31-F79 WeakPolarHBondContact O-CE1 3.44Å; R31-F79 WeakPolarHBondContact O-CZ 3.32Å; G34-F79 VanDerWaalsContact CA-CZ 3.44Å; A73-F79 HydrophobicContact CB-CB 4.41Å; A73-F79 HydrophobicContact CB-CD1 3.49Å; A73-F79 VanDerWaalsContact CB-CD1 3.49Å; A73-F79 HydrophobicContact CB-CD2 4.23Å; A73-F79 HydrophobicContact CB-CE1 3.7Å; A73-F79 HydrophobicContact CB-CE2 4.41Å; A73-F79 HydrophobicContact CB-CG 3.78Å; A73-F79 HydrophobicContact CB-CZ 4.17Å; F76-F79 HydrophobicContact CB-CB 4.04Å; F76-F79 HydrophobicContact CB-CD2 4.13Å; F76-F79 HydrophobicContact CD1-CD2 4.33Å; F76-F79 AromaticContact CD2-CD2 3.49Å; F76-F79 HydrophobicContact CD2-CD2 3.49Å; F76-F79 VanDerWaalsContact CD2-CD2 3.49Å; F76-F79 AromaticContact CD2-CE2 4Å; F76-F79 HydrophobicContact CD2-CE2 4Å; F76-F79 HydrophobicContact CD2-CG 4.41Å; F76-F79 AromaticContact CE2-CD2 3.88Å; F76-F79 HydrophobicContact CE2-CD2 3.88Å; F76-F79 AromaticContact CE2-CE2 3.9Å; F76-F79 HydrophobicContact CE2-CE2 3.9Å; F76-F79 AromaticContact CG-CD2 3.74Å; F76-F79 HydrophobicContact CG-CD2 3.74Å; F76-F79 HydrophobicContact CZ-CD2 4.45Å; F76-F79 HydrophobicContact CZ-CE2 4.35Å; F79-C81 HydrophobicContact CE1-CB 4Å; F79-C81 HydrophobicContact CZ-CB 4.45Å
80R96.7Very high95Very high129 Ų12955.3 Ų55.349%0.48729%0.287SS..EExtended strand (participates in β ladder)trans-146.3123.2175.3-178.9176.4173.6-175.2-7.1109.4F2 E3 D82F2-R80 CarbonylContact C-O 3.47Å; F2-R80 VanDerWaalsContact CA-O 3.31Å; F2-R80 WeakPolarHBondContact CA-O 3.22Å; F2-R80 WeakPolarHBondContact CD2-O 3.35Å; E3-R80 PolarHBondContact N-O 2.99Å; E3-R80 PolarHBondContact O-N 2.91Å; R80-D82 WeakPolarHBondContact CG-OD1 3.14Å; R80-D82 IonicContact CZ-OD1 3.06Å; R80-D82 IonicContact CZ-OD2 2.7Å; R80-D82 IonicContact NE-OD1 3.74Å; R80-D82 PolarHBondContact NE-OD1 3.46Å; R80-D82 IonicContact NE-OD2 3.84Å; R80-D82 PolarHBondContact NE-OD2 2.63Å; R80-D82 IonicContact NH2-OD1 3.9Å; R80-D82 PolarHBondContact NH2-OD1 3.08Å; R80-D82 IonicContact NH2-OD2 3.42Å; R80-D82 PolarHBondContact NH2-OD2 2.89Å
81C95.8Very high95Very high17 Ų1751.7 Ų51.712%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-135.195.8172.1-170.40000108.2F2 C30 R31 F79 R83F2-C81 HydrophobicContact CD2-CB 4.01Å; C30-C81 VanDerWaalsContact C-SG 3.6Å; C30-C81 PolarHBondContact O-SG 2.86Å; R31-C81 WeakPolarHBondContact O-CB 3.2Å; F79-C81 HydrophobicContact CE1-CB 4Å; F79-C81 HydrophobicContact CZ-CB 4.45Å; C81-R83 VanDerWaalsContact C-N 3.28Å; C81-R83 PolarHBondContact O-N 3.44Å; C81-R83 PolarHBondContact SG-O 3.2Å
82D94.2Very high94.8Very high81 Ų8154.1 Ų54.143%0.43329%0.291SS..SBendtrans-69.9-30.5-174.9-64.6-23.3000112.3M1 R80M1-D82 WeakPolarHBondContact CB-OD2 3.44Å; M1-D82 PolarHBondContact N-OD2 2.83Å; M1-D82 PolarHBondContact O-N 2.92Å; R80-D82 WeakPolarHBondContact CG-OD1 3.14Å; R80-D82 IonicContact CZ-OD1 3.06Å; R80-D82 IonicContact CZ-OD2 2.7Å; R80-D82 IonicContact NE-OD1 3.74Å; R80-D82 PolarHBondContact NE-OD1 3.46Å; R80-D82 IonicContact NE-OD2 3.84Å; R80-D82 PolarHBondContact NE-OD2 2.63Å; R80-D82 IonicContact NH2-OD1 3.9Å; R80-D82 PolarHBondContact NH2-OD1 3.08Å; R80-D82 IonicContact NH2-OD2 3.42Å; R80-D82 PolarHBondContact NH2-OD2 2.89Å
83R92.9Very high94.7Very high164 Ų16455.6 Ų55.662%0.61930%0.299SS*.SBendtrans-146.8139.7-180-71.6-171.8-92.4-147.1-4.8108.1C81 M85 D113C81-R83 VanDerWaalsContact C-N 3.28Å; C81-R83 PolarHBondContact O-N 3.44Å; C81-R83 PolarHBondContact SG-O 3.2Å; R83-M85 PolarHBondContact O-N 2.64Å; R83-D113 IonicContact CZ-OD2 3.96Å; R83-D113 VanDerWaalsContact CZ-OD2 3.26Å; R83-D113 IonicContact NE-OD2 2.78Å; R83-D113 PolarHBondContact NE-OD2 2.91Å; R83-D113 IonicContact NH2-OD2 3.93Å; R83-D113 PolarHBondContact NH2-OD2 2.94Å
84S92.9Very high94.6Very high91 Ų9154.8 Ų54.864%0.63629%0.292SS*.  trans-56.8134.6174-55.60000110.3C30C30-S84 VanDerWaalsContact O-CA 3.27Å; C30-S84 WeakPolarHBondContact O-CA 3.45Å
85M92.7Very high94.6Very high31 Ų3149.2 Ų49.215%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-147.5157.8177.963.4176.760.200110.6F2 C30 R83 L87 A111 D113F2-M85 HydrophobicContact CB-CE 3.98Å; F2-M85 HydrophobicContact CB-CG 4.29Å; F2-M85 HydrophobicContact CB-SD 3.45Å; F2-M85 WeakPolarHBondContact CB-SD 3.48Å; F2-M85 HydrophobicContact CG-SD 4.32Å; C30-M85 HydrophobicContact CB-CG 3.81Å; C30-M85 WeakPolarHBondContact CB-O 3.27Å; C30-M85 PolarHBondContact N-O 3.46Å; C30-M85 PolarHBondContact O-N 3.34Å; C30-M85 VanDerWaalsContact O-N 3.1Å; R83-M85 PolarHBondContact O-N 2.64Å; M85-L87 HydrophobicContact SD-CD2 4.25Å; M85-A111 HydrophobicContact SD-CB 3.84Å; M85-D113 VanDerWaalsContact CE-OD1 3.22Å; M85-D113 WeakPolarHBondContact CE-OD1 3.36Å
86S92.3Very high94.7Very high62 Ų6254.6 Ų54.643%0.43428%0.28SS..EExtended strand (participates in β ladder)trans-121.7129.1-177.2-64.30000109.3Q27 D29Q27-S86 VanDerWaalsContact CD-CB 3.46Å; Q27-S86 PolarHBondContact NE2-OG 2.91Å; D29-S86 PolarHBondContact OD1-OG 2.78Å
87L94.5Very high94.7Very high4 Ų455.2 Ų55.22%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-113.198.9-176.9-53.1178.2000108.8F2 W28 M85 L89 I109 A111 V118 L137F2-L87 HydrophobicContact CD1-CD1 4.15Å; F2-L87 HydrophobicContact CE1-CD1 4.18Å; W28-L87 HydrophobicContact CB-CB 4.3Å; W28-L87 PolarHBondContact N-O 3.37Å; W28-L87 PolarHBondContact O-N 2.84Å; M85-L87 HydrophobicContact SD-CD2 4.25Å; L87-L89 PolarHBondContact O-N 3.32Å; L87-I109 HydrophobicContact CD1-CD1 4Å; L87-A111 HydrophobicContact CD1-CB 4.33Å; L87-A111 HydrophobicContact CD2-CB 3.87Å; L87-V118 HydrophobicContact CD1-CG2 4.12Å; L87-L137 HydrophobicContact CB-CD2 3.92Å; L87-L137 HydrophobicContact CD2-CD1 3.81Å; L87-L137 HydrophobicContact CD2-CD2 4.18Å
88G95Very high94.7Very high3 Ų350.2 Ų50.23%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-74.5120.2173.400000110.8L137 M138G88-L137 WeakPolarHBondContact O-CA 3.38Å; G88-M138 WeakPolarHBondContact CA-O 3.38Å; G88-M138 PolarHBondContact O-N 3.01Å
89L94.6Very high94.7Very high2 Ų255 Ų551%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-133.6136.3-174.7-71.5172.6000111.8D25 A26 L87 I91 M94 V118 F120 L135 L137D25-L89 WeakPolarHBondContact CA-O 3.5Å; A26-L89 PolarHBondContact N-O 3.46Å; A26-L89 PolarHBondContact O-N 3.43Å; L87-L89 PolarHBondContact O-N 3.32Å; L89-I91 PolarHBondContact O-N 2.99Å; L89-M94 HydrophobicContact CD1-SD 4.04Å; L89-V118 HydrophobicContact CD1-CG1 4.48Å; L89-V118 HydrophobicContact CD2-CG1 3.74Å; L89-F120 HydrophobicContact CD1-CZ 4.04Å; L89-L135 HydrophobicContact CD2-CD2 4.39Å; L89-L137 HydrophobicContact CD2-CD2 3.81Å; L89-L137 HydrophobicContact CG-CD2 4.23Å
90N93.7Very high94.5Very high36 Ų3653.9 Ų53.919%0.19328%0.276CS..EExtended strand (participates in β ladder)trans-75.5120.8167.3-179.8-92000110.4T24 D25 A92 N93 M94 M138T24-N90 PolarHBondContact O-ND2 3.3Å; D25-N90 WeakPolarHBondContact OD1-CA 3.47Å; D25-N90 WeakPolarHBondContact OD1-CB 3.26Å; D25-N90 PolarHBondContact OD1-ND2 3.43Å; N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 2.96Å; N90-A92 WeakPolarHBondContact OD1-CB 3.27Å; N90-A92 PolarHBondContact OD1-N 2.86Å; N90-N93 HydrophobicContact CB-CB 4.21Å; N90-N93 PolarHBondContact O-N 2.97Å; N90-N93 PolarHBondContact OD1-N 3.27Å; N90-M94 PolarHBondContact O-N 3.19Å; N90-M138 HydrophobicContact CB-SD 4.36Å
91I94.3Very high94.4Very high1 Ų147.9 Ų47.91%0.00525%0.254CS..Hα-helixtrans-65-35.7-173.9-59.5-57.5000111.5L16 I19 K20 L23 T24 A26 L89 M94 T95L16-I91 HydrophobicContact CD2-CD1 4.47Å; L16-I91 HydrophobicContact CD2-CG2 4.16Å; I19-I91 HydrophobicContact CD1-CD1 4.03Å; I19-I91 HydrophobicContact CG1-CG2 4.33Å; K20-I91 HydrophobicContact CB-CG2 3.92Å; L23-I91 HydrophobicContact CB-CG1 4.22Å; T24-I91 WeakPolarHBondContact O-CB 3.09Å; T24-I91 PolarHBondContact O-N 3.29Å; A26-I91 HydrophobicContact CB-CD1 3.89Å; A26-I91 HydrophobicContact CB-CG1 4.38Å; L89-I91 PolarHBondContact O-N 2.99Å; I91-M94 PolarHBondContact O-N 3.46Å; I91-T95 VanDerWaalsContact O-CB 3.3Å; I91-T95 WeakPolarHBondContact O-CB 3.49Å; I91-T95 PolarHBondContact O-N 2.94Å; I91-T95 PolarHBondContact O-OG1 2.78Å
92A94.2Very high94.4Very high50 Ų5050.8 Ų50.841%0.41327%0.268SS..Hα-helixtrans-67.2-40.5178.100000112.1N90 T95 K96N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 2.96Å; N90-A92 WeakPolarHBondContact OD1-CB 3.27Å; N90-A92 PolarHBondContact OD1-N 2.86Å; A92-T95 PolarHBondContact O-N 3.43Å; A92-K96 VanDerWaalsContact O-CG 3.29Å; A92-K96 WeakPolarHBondContact O-CG 3.18Å; A92-K96 PolarHBondContact O-N 2.68Å
93N94.8Very high94.5Very high79 Ų7951.3 Ų51.342%0.42227%0.274SS..Hα-helixtrans-67.7-43.7176.2-71.1-18.8000111.8N90 T95 K96 I97N90-N93 HydrophobicContact CB-CB 4.21Å; N90-N93 PolarHBondContact O-N 2.97Å; N90-N93 PolarHBondContact OD1-N 3.27Å; N93-T95 PolarHBondContact O-N 3.14Å; N93-K96 PolarHBondContact O-N 2.8Å; N93-I97 PolarHBondContact O-N 2.89Å; N93-I97 VanDerWaalsContact O-N 3.12Å
94M95.4Very high94.7Very high3 Ų347.9 Ų47.92%0.01527%0.268CS..Hα-helixtrans-59.1-47.5174-175.6169.7178.200111I12 L16 W28 L89 N90 I91 K96 I97 M98 F120I12-M94 HydrophobicContact CG2-CE 3.78Å; L16-M94 HydrophobicContact CD1-CE 4.27Å; L16-M94 HydrophobicContact CD1-CG 3.79Å; L16-M94 HydrophobicContact CD1-SD 4.42Å; L16-M94 HydrophobicContact CD2-CB 4.45Å; L16-M94 HydrophobicContact CD2-CE 4.2Å; L16-M94 HydrophobicContact CD2-CG 3.99Å; L16-M94 HydrophobicContact CD2-SD 3.79Å; W28-M94 HydrophobicContact CZ2-CE 4.09Å; W28-M94 HydrophobicContact CZ2-SD 4.12Å; L89-M94 HydrophobicContact CD1-SD 4.04Å; N90-M94 PolarHBondContact O-N 3.19Å; I91-M94 PolarHBondContact O-N 3.46Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.4Å; M94-I97 PolarHBondContact O-N 2.9Å; M94-I97 VanDerWaalsContact O-N 3.14Å; M94-M98 WeakPolarHBondContact O-CG 3.35Å; M94-M98 PolarHBondContact O-N 2.95Å; M94-F120 HydrophobicContact CE-CE2 4.45Å; M94-F120 HydrophobicContact CE-CZ 4.15Å; M94-F120 HydrophobicContact CG-CE2 3.82Å; M94-F120 HydrophobicContact CG-CZ 4.15Å; M94-F120 HydrophobicContact SD-CE2 4.44Å; M94-F120 HydrophobicContact SD-CZ 4.19Å
95T95.5Very high94.9Very high19 Ų1943.7 Ų43.712%0.11724%0.238CC..Hα-helixtrans-59.1-40.9177.1-57.20000112.2I91 A92 N93 I97 M98 K99I91-T95 VanDerWaalsContact O-CB 3.3Å; I91-T95 WeakPolarHBondContact O-CB 3.49Å; I91-T95 PolarHBondContact O-N 2.94Å; I91-T95 PolarHBondContact O-OG1 2.78Å; A92-T95 PolarHBondContact O-N 3.43Å; N93-T95 PolarHBondContact O-N 3.14Å; T95-I97 PolarHBondContact O-N 3.35Å; T95-M98 PolarHBondContact O-N 2.83Å; T95-K99 PolarHBondContact O-N 2.94Å
96K95.8Very high95.1Very high135 Ų13543.1 Ų43.159%0.58724%0.237SC*.Hα-helixtrans-60.9-42.9175.8-75.2169.3-172.5169.30111.9A92 N93 M94 K99A92-K96 VanDerWaalsContact O-CG 3.29Å; A92-K96 WeakPolarHBondContact O-CG 3.18Å; A92-K96 PolarHBondContact O-N 2.68Å; N93-K96 PolarHBondContact O-N 2.8Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.4Å; K96-K99 WeakPolarHBondContact O-CB 3.37Å; K96-K99 PolarHBondContact O-N 3.5Å
97I95.7Very high95.4Very high34 Ų3440.5 Ų40.517%0.17422%0.218CC..Hα-helixtrans-71.2-38.3-179.7-73170.3000111.3N93 M94 T95 K99 A100 F120 F122 Y133 L135N93-I97 PolarHBondContact O-N 2.89Å; N93-I97 VanDerWaalsContact O-N 3.12Å; M94-I97 PolarHBondContact O-N 2.9Å; M94-I97 VanDerWaalsContact O-N 3.14Å; T95-I97 PolarHBondContact O-N 3.35Å; I97-K99 PolarHBondContact O-N 2.95Å; I97-K99 VanDerWaalsContact O-N 3.1Å; I97-A100 VanDerWaalsContact O-CB 3.29Å; I97-A100 WeakPolarHBondContact O-CB 3.26Å; I97-A100 PolarHBondContact O-N 2.81Å; I97-F120 HydrophobicContact CG2-CD2 3.96Å; I97-F122 HydrophobicContact CG2-CE2 4Å; I97-F122 HydrophobicContact CG2-CZ 4.16Å; I97-Y133 HydrophobicContact CG2-CD1 4.26Å; I97-Y133 HydrophobicContact CG2-CD2 3.88Å; I97-Y133 HydrophobicContact CG2-CG 3.7Å; I97-L135 HydrophobicContact CD1-CD1 3.38Å; I97-L135 HydrophobicContact CD1-CD2 3.65Å; I97-L135 HydrophobicContact CD1-CG 3.35Å; I97-L135 HydrophobicContact CG2-CD1 4.5Å
98M95.9Very high95.5Very high4 Ų441.7 Ų41.72%0.0222%0.223CC..Hα-helixtrans-60.8-20.1175.3-68.2-55.5-61.800113.4A9 I12 K13 L16 M94 T95 A100 A101 F107 F122A9-M98 HydrophobicContact CB-CE 4.04Å; I12-M98 HydrophobicContact CB-CE 3.79Å; I12-M98 HydrophobicContact CG2-CE 3.68Å; I12-M98 HydrophobicContact CG2-CG 4.3Å; I12-M98 HydrophobicContact CG2-SD 3.97Å; K13-M98 WeakPolarHBondContact CE-O 3.26Å; K13-M98 HydrophobicContact CG-CB 4.16Å; K13-M98 HydrophobicContact CG-CE 4.03Å; L16-M98 HydrophobicContact CD1-CB 4.14Å; L16-M98 HydrophobicContact CD1-CG 3.42Å; L16-M98 VanDerWaalsContact CD1-CG 3.42Å; M94-M98 WeakPolarHBondContact O-CG 3.35Å; M94-M98 PolarHBondContact O-N 2.95Å; T95-M98 PolarHBondContact O-N 2.83Å; M98-A100 PolarHBondContact O-N 2.82Å; M98-A101 PolarHBondContact O-N 3.47Å; M98-F107 HydrophobicContact CE-CD2 4.14Å; M98-F107 HydrophobicContact CE-CE2 4.4Å; M98-F107 HydrophobicContact SD-CD2 4.07Å; M98-F107 HydrophobicContact SD-CE2 3.8Å; M98-F122 HydrophobicContact CE-CE1 3.74Å; M98-F122 HydrophobicContact CE-CZ 4.3Å; M98-F122 HydrophobicContact SD-CE1 3.52Å; M98-F122 VanDerWaalsContact SD-CE1 3.52Å; M98-F122 HydrophobicContact SD-CZ 3.55Å; M98-F122 VanDerWaalsContact SD-CZ 3.55Å
99K95Very high95.7Very high162 Ų16241.7 Ų41.770%0.70422%0.223SC*.THydrogen-bonded Turntrans-65.8-18.2172.5-66.4-179.6179.3-175.10113.6T95 K96 I97T95-K99 PolarHBondContact O-N 2.94Å; K96-K99 WeakPolarHBondContact O-CB 3.37Å; K96-K99 PolarHBondContact O-N 3.5Å; I97-K99 PolarHBondContact O-N 2.95Å; I97-K99 VanDerWaalsContact O-N 3.1Å
100A92.5Very high95.8Very high24 Ų2445.2 Ų45.220%0.19824%0.236CC..THydrogen-bonded Turntrans-76.4-24.7-179.900000113.7I97 M98 R129 Y133I97-A100 VanDerWaalsContact O-CB 3.29Å; I97-A100 WeakPolarHBondContact O-CB 3.26Å; I97-A100 PolarHBondContact O-N 2.81Å; M98-A100 PolarHBondContact O-N 2.82Å; A100-R129 PolarHBondContact O-NH2 3.2Å; A100-Y133 HydrophobicContact CB-CE2 3.79Å; A100-Y133 VanDerWaalsContact CB-OH 3.24Å; A100-Y133 WeakPolarHBondContact CB-OH 3.4Å
101A94.9Very high95.9Very high4 Ų443.7 Ų43.73%0.03323%0.229CC..SBendtrans-81.8155.9176.800000111A9 K13 M98 D105 F122A9-A101 HydrophobicContact CB-CB 4.04Å; K13-A101 PolarHBondContact NZ-O 2.93Å; M98-A101 PolarHBondContact O-N 3.47Å; A101-D105 WeakPolarHBondContact CA-OD2 3.35Å; A101-D105 HydrophobicContact CB-CB 4.33Å; A101-F122 HydrophobicContact CB-CB 4.1Å; A101-F122 HydrophobicContact CB-CD1 3.44Å; A101-F122 VanDerWaalsContact CB-CD1 3.44Å; A101-F122 HydrophobicContact CB-CD2 4.11Å; A101-F122 HydrophobicContact CB-CE1 3.73Å; A101-F122 HydrophobicContact CB-CE2 4.39Å; A101-F122 HydrophobicContact CB-CG 3.63Å; A101-F122 HydrophobicContact CB-CZ 4.21Å
102N96.2Very high95.9Very high78 Ų7848.9 Ų48.942%0.41725%0.253SS..  trans-79.7179.8159.7-61.9-40000110.5K13 D104 D105K13-N102 PolarHBondContact NZ-O 3.04Å; N102-D104 WeakPolarHBondContact CB-OD1 2.88Å; N102-D105 PolarHBondContact N-OD2 2.88Å
103V96.3Very high95.6Very high91 Ų9148.8 Ų48.855%0.55225%0.245SC*.SBendtrans-78.1-33.3-179.9175.20000110.4S8 G10S8-V103 PolarHBondContact OG-O 3.15Å; G10-V103 PolarHBondContact N-O 3.29Å
104D96.6Very high95.1Very high93 Ų9353.4 Ų53.450%0.49727%0.27SS..SBendtrans-88.1-13-178.457.8-41.9000114.2N102 P125N102-D104 WeakPolarHBondContact CB-OD1 2.88Å; D104-P125 HydrophobicContact CB-CG 4.25Å; D104-P125 WeakPolarHBondContact O-CG 3.42Å
105D97.6Very high94.7Very high2 Ų255.2 Ų55.21%0.01128%0.283CS..SBendtrans-57.9142.7171.3-69.1-2.8000110.4S8 A9 A101 N102 F122 E123 A124S8-D105 CarbonylContact C-O 3.48Å; S8-D105 WeakPolarHBondContact CA-O 3.29Å; A9-D105 WeakPolarHBondContact CB-O 3.24Å; A9-D105 PolarHBondContact N-O 3.33Å; A101-D105 WeakPolarHBondContact CA-OD2 3.35Å; A101-D105 HydrophobicContact CB-CB 4.33Å; N102-D105 PolarHBondContact N-OD2 2.88Å; D105-F122 HydrophobicContact CB-CB 4.48Å; D105-E123 CarbonylContact C-O 3.58Å; D105-E123 WeakPolarHBondContact CA-O 3.24Å; D105-A124 WeakPolarHBondContact OD1-CA 3.2Å
106T97.4Very high94.6Very high20 Ų2059.5 Ų59.512%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-67.4151.9167.970.60000110K5 L6 F122 E123K5-T106 WeakPolarHBondContact CE-OG1 3.48Å; L6-T106 WeakPolarHBondContact O-CA 3.29Å; L6-T106 WeakPolarHBondContact O-CB 3.3Å; T106-F122 WeakPolarHBondContact O-CA 3.23Å; T106-E123 PolarHBondContact N-O 2.87Å; T106-E123 PolarHBondContact O-N 3.23Å; T106-E123 WeakPolarHBondContact OG1-CB 3.19Å; T106-E123 PolarHBondContact OG1-O 3.36Å
107F97.7Very high94.6Very high6 Ų654.6 Ų54.63%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-121.7125.6175.1169.6-105.6000110.1K5 L6 A9 I12 M98 I109 F120 F122K5-F107 CarbonylContact C-O 3.55Å; K5-F107 WeakPolarHBondContact CA-O 3.39Å; L6-F107 HydrophobicContact CD1-CD1 4.31Å; L6-F107 PolarHBondContact N-O 2.94Å; L6-F107 PolarHBondContact O-N 3.39Å; A9-F107 HydrophobicContact CB-CB 4Å; I12-F107 HydrophobicContact CD1-CD1 4.31Å; I12-F107 HydrophobicContact CD1-CE1 4.14Å; I12-F107 HydrophobicContact CG1-CD1 3.55Å; I12-F107 HydrophobicContact CG1-CE1 3.71Å; I12-F107 HydrophobicContact CG1-CG 4.19Å; I12-F107 HydrophobicContact CG1-CZ 4.46Å; M98-F107 HydrophobicContact CE-CD2 4.14Å; M98-F107 HydrophobicContact CE-CE2 4.4Å; M98-F107 HydrophobicContact SD-CD2 4.07Å; M98-F107 HydrophobicContact SD-CE2 3.8Å; F107-I109 HydrophobicContact CE1-CB 4.1Å; F107-I109 HydrophobicContact CE1-CG2 4.3Å; F107-I109 HydrophobicContact CZ-CB 4.03Å; F107-F120 HydrophobicContact CE2-CB 4.06Å; F107-F120 HydrophobicContact CE2-CD1 4.05Å; F107-F120 HydrophobicContact CE2-CD2 4.39Å; F107-F120 AromaticContact CE2-CG 3.91Å; F107-F120 HydrophobicContact CE2-CG 3.91Å; F107-F120 HydrophobicContact CZ-CD1 4.06Å; F107-F120 HydrophobicContact CZ-CE1 4.35Å; F107-F120 HydrophobicContact CZ-CG 4.36Å; F107-F122 AromaticContact CD2-CD1 3.91Å; F107-F122 HydrophobicContact CD2-CD1 3.91Å; F107-F122 AromaticContact CD2-CE1 3.42Å; F107-F122 HydrophobicContact CD2-CE1 3.42Å; F107-F122 VanDerWaalsContact CD2-CE1 3.42Å; F107-F122 HydrophobicContact CD2-CZ 4.33Å; F107-F122 AromaticContact CE2-CE1 3.98Å; F107-F122 HydrophobicContact CE2-CE1 3.98Å; F107-F122 HydrophobicContact CE2-CZ 4.49Å; F107-F122 HydrophobicContact CG-CE1 4.48Å
108M97.5Very high94.7Very high29 Ų2953 Ų5314%0.14328%0.278CS..EExtended strand (participates in β ladder)trans-124.5134.4173.2171.4-167.4-70.200111.1E3 A4 K5 R110 F120 V121E3-M108 HydrophobicContact CG-CG 4.28Å; E3-M108 HydrophobicContact CG-SD 4.3Å; E3-M108 VanDerWaalsContact OE1-CE 3.31Å; E3-M108 WeakPolarHBondContact OE1-CE 3.34Å; A4-M108 CarbonylContact O-C 3.58Å; A4-M108 VanDerWaalsContact O-CA 3.24Å; A4-M108 WeakPolarHBondContact O-CA 3.49Å; K5-M108 HydrophobicContact CB-CB 4.25Å; K5-M108 HydrophobicContact CB-CE 4.09Å; K5-M108 HydrophobicContact CD-CE 3.92Å; K5-M108 HydrophobicContact CG-CB 4.24Å; K5-M108 HydrophobicContact CG-CE 4.23Å; M108-R110 HydrophobicContact CG-CG 4.01Å; M108-R110 HydrophobicContact SD-CG 4.02Å; M108-F120 CarbonylContact O-C 3.53Å; M108-F120 WeakPolarHBondContact O-CA 3.32Å; M108-V121 HydrophobicContact CB-CB 4.14Å; M108-V121 PolarHBondContact N-O 3.17Å; M108-V121 PolarHBondContact O-N 3.32Å
109I97.6Very high94.8Very high4 Ų454.1 Ų54.12%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-111.3133173.7-176.8168.9000109.3F2 E3 A4 L87 F107 V118 V119 F120F2-I109 HydrophobicContact CE1-CB 4.39Å; F2-I109 HydrophobicContact CE1-CD1 4.12Å; F2-I109 HydrophobicContact CE1-CG1 3.99Å; F2-I109 HydrophobicContact CE1-CG2 3.62Å; F2-I109 HydrophobicContact CZ-CG2 3.89Å; E3-I109 VanDerWaalsContact CA-O 3.31Å; E3-I109 WeakPolarHBondContact CA-O 3.48Å; A4-I109 HydrophobicContact CB-CG2 3.81Å; A4-I109 PolarHBondContact N-O 3.45Å; A4-I109 PolarHBondContact O-N 2.82Å; L87-I109 HydrophobicContact CD1-CD1 4Å; F107-I109 HydrophobicContact CE1-CB 4.1Å; F107-I109 HydrophobicContact CE1-CG2 4.3Å; F107-I109 HydrophobicContact CZ-CB 4.03Å; I109-V118 HydrophobicContact CD1-CG2 3.87Å; I109-V118 HydrophobicContact CG1-CG2 3.51Å; I109-V119 CarbonylContact C-O 3.58Å; I109-V119 WeakPolarHBondContact CA-O 3.48Å; I109-F120 HydrophobicContact CB-CD1 4.29Å; I109-F120 HydrophobicContact CB-CE1 4.44Å; I109-F120 HydrophobicContact CD1-CD1 4.35Å; I109-F120 HydrophobicContact CD1-CE1 3.67Å; I109-F120 HydrophobicContact CG1-CD1 3.98Å; I109-F120 HydrophobicContact CG1-CE1 3.78Å
110R97.1Very high94.9Very high75 Ų7546.4 Ų46.428%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-135.1135.5179.5-68.4-178-65171.50.9111.5F2 E3 M108 V118 V119 Q132F2-R110 WeakPolarHBondContact O-CA 3.46Å; E3-R110 HydrophobicContact CB-CG 4.13Å; E3-R110 HydrophobicContact CG-CG 3.77Å; M108-R110 HydrophobicContact CG-CG 4.01Å; M108-R110 HydrophobicContact SD-CG 4.02Å; R110-V118 WeakPolarHBondContact O-CG2 3.4Å; R110-V119 HydrophobicContact CB-CB 4.32Å; R110-V119 PolarHBondContact N-O 3.37Å; R110-V119 PolarHBondContact O-N 2.88Å; R110-Q132 VanDerWaalsContact NH2-OE1 3.14Å
111A96.6Very high95.1Very high5 Ų545.6 Ų45.64%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-141.3139.9172.500000110.8F2 M85 L87 V118F2-A111 HydrophobicContact CB-CB 4.44Å; F2-A111 HydrophobicContact CD1-CB 4.38Å; F2-A111 PolarHBondContact N-O 3.46Å; F2-A111 PolarHBondContact O-N 2.74Å; M85-A111 HydrophobicContact SD-CB 3.84Å; L87-A111 HydrophobicContact CD1-CB 4.33Å; L87-A111 HydrophobicContact CD2-CB 3.87Å; A111-V118 HydrophobicContact CB-CG2 4.46Å
112Q94.5Very high95.3Very high109 Ų10945.5 Ų45.551%0.50924%0.243SC..  trans-94.7155.8172.3-67.2-61.7-24.700110.2N114 S115Q112-N114 PolarHBondContact O-N 3.14Å; Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.21Å; Q112-S115 VanDerWaalsContact O-N 3.15Å
113D87.1Confident95.3Very high49 Ų4945.3 Ų45.326%0.26224%0.24SC..THydrogen-bonded Turntrans-60.5131.4175.8-59.3-13.6000108.8M1 R83 M85 S115M1-D113 PolarHBondContact N-OD1 3.25Å; M1-D113 PolarHBondContact N-OD2 3.19Å; R83-D113 IonicContact CZ-OD2 3.96Å; R83-D113 VanDerWaalsContact CZ-OD2 3.26Å; R83-D113 IonicContact NE-OD2 2.78Å; R83-D113 PolarHBondContact NE-OD2 2.91Å; R83-D113 IonicContact NH2-OD2 3.93Å; R83-D113 PolarHBondContact NH2-OD2 2.94Å; M85-D113 VanDerWaalsContact CE-OD1 3.22Å; M85-D113 WeakPolarHBondContact CE-OD1 3.36Å; D113-S115 PolarHBondContact O-N 2.88Å
114N83.9Confident95.3Very high175 Ų17541.3 Ų41.394%0.93622%0.216SC*.THydrogen-bonded Turntrans60.922.1-177-49.4-37.2000115.5Q112Q112-N114 PolarHBondContact O-N 3.14Å
115S88.2Confident95.2Very high41 Ų4141.2 Ų41.229%0.28722%0.221SC..  trans-76.6141.6171.2-169.60000111.1Q112 D113 T117Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.21Å; Q112-S115 VanDerWaalsContact O-N 3.15Å; D113-S115 PolarHBondContact O-N 2.88Å; S115-T117 PolarHBondContact O-N 3.25Å; S115-T117 PolarHBondContact OG-N 3.34Å; S115-T117 VanDerWaalsContact OG-N 3.14Å; S115-T117 PolarHBondContact OG-O 3.35Å; S115-T117 VanDerWaalsContact OG-O 3.11Å; S115-T117 PolarHBondContact OG-OG1 2.89Å
116D93.3Very high95Very high110 Ų11044.8 Ų44.859%0.58825%0.246SC*.SBendtrans-83.35.216866.1-29.9000112.4K136 L137D116-K136 WeakPolarHBondContact O-CA 3.2Å; D116-L137 PolarHBondContact O-N 3Å
117T95.8Very high94.7Very high32 Ų3246.1 Ų46.120%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-136.9153.7-178.164.90000113.2S115 S134 L135 K136S115-T117 PolarHBondContact O-N 3.25Å; S115-T117 PolarHBondContact OG-N 3.34Å; S115-T117 VanDerWaalsContact OG-N 3.14Å; S115-T117 PolarHBondContact OG-O 3.35Å; S115-T117 VanDerWaalsContact OG-O 3.11Å; S115-T117 PolarHBondContact OG-OG1 2.89Å; T117-S134 WeakPolarHBondContact CB-OG 3.4Å; T117-L135 CarbonylContact C-O 3.55Å; T117-L135 WeakPolarHBondContact CA-O 3.49Å; T117-L135 VanDerWaalsContact CB-O 3.27Å; T117-L135 WeakPolarHBondContact CB-O 3.14Å; T117-K136 HydrophobicContact CG2-CG 4.44Å
118V96.9Very high94.5Very high0 Ų053.8 Ų53.80%030%0.3CS..EExtended strand (participates in β ladder)trans-116.2144.6165.766.10000109.5L87 L89 I109 R110 A111 F120 S134 L135 L137L87-V118 HydrophobicContact CD1-CG2 4.12Å; L89-V118 HydrophobicContact CD1-CG1 4.48Å; L89-V118 HydrophobicContact CD2-CG1 3.74Å; I109-V118 HydrophobicContact CD1-CG2 3.87Å; I109-V118 HydrophobicContact CG1-CG2 3.51Å; R110-V118 WeakPolarHBondContact O-CG2 3.4Å; A111-V118 HydrophobicContact CB-CG2 4.46Å; V118-F120 HydrophobicContact CB-CE1 4.47Å; V118-F120 HydrophobicContact CG1-CE1 3.79Å; V118-F120 HydrophobicContact CG1-CZ 4.03Å; V118-F120 HydrophobicContact CG2-CD1 4.24Å; V118-F120 HydrophobicContact CG2-CE1 3.79Å; V118-S134 WeakPolarHBondContact O-CA 3.45Å; V118-L135 HydrophobicContact CG1-CB 3.98Å; V118-L135 PolarHBondContact N-O 3.4Å; V118-L135 PolarHBondContact O-N 3.32Å; V118-L137 HydrophobicContact CB-CD2 3.98Å; V118-L137 HydrophobicContact CG1-CD2 3.93Å
119V97.4Very high94.4Very high27 Ų2757.1 Ų57.116%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-108.3123.9179.3-179.70000109.7I109 R110 V121 Q132 Y133I109-V119 CarbonylContact C-O 3.58Å; I109-V119 WeakPolarHBondContact CA-O 3.48Å; R110-V119 HydrophobicContact CB-CB 4.32Å; R110-V119 PolarHBondContact N-O 3.37Å; R110-V119 PolarHBondContact O-N 2.88Å; V119-V121 HydrophobicContact CG1-CG2 4.09Å; V119-Q132 HydrophobicContact CG1-CG 3.48Å; V119-Q132 VanDerWaalsContact CG1-CG 3.48Å; V119-Y133 CarbonylContact C-O 3.56Å; V119-Y133 WeakPolarHBondContact CA-O 3.32Å
120F97.7Very high94.3Very high0 Ų062.8 Ų62.80%034%0.336CS..EExtended strand (participates in β ladder)trans-101.3134.4168.5-60-18.6000109.9L89 M94 I97 F107 M108 I109 V118 F122 Q132 Y133 L135L89-F120 HydrophobicContact CD1-CZ 4.04Å; M94-F120 HydrophobicContact CE-CE2 4.45Å; M94-F120 HydrophobicContact CE-CZ 4.15Å; M94-F120 HydrophobicContact CG-CE2 3.82Å; M94-F120 HydrophobicContact CG-CZ 4.15Å; M94-F120 HydrophobicContact SD-CE2 4.44Å; M94-F120 HydrophobicContact SD-CZ 4.19Å; I97-F120 HydrophobicContact CG2-CD2 3.96Å; F107-F120 HydrophobicContact CE2-CB 4.06Å; F107-F120 HydrophobicContact CE2-CD1 4.05Å; F107-F120 HydrophobicContact CE2-CD2 4.39Å; F107-F120 AromaticContact CE2-CG 3.91Å; F107-F120 HydrophobicContact CE2-CG 3.91Å; F107-F120 HydrophobicContact CZ-CD1 4.06Å; F107-F120 HydrophobicContact CZ-CE1 4.35Å; F107-F120 HydrophobicContact CZ-CG 4.36Å; M108-F120 CarbonylContact O-C 3.53Å; M108-F120 WeakPolarHBondContact O-CA 3.32Å; I109-F120 HydrophobicContact CB-CD1 4.29Å; I109-F120 HydrophobicContact CB-CE1 4.44Å; I109-F120 HydrophobicContact CD1-CD1 4.35Å; I109-F120 HydrophobicContact CD1-CE1 3.67Å; I109-F120 HydrophobicContact CG1-CD1 3.98Å; I109-F120 HydrophobicContact CG1-CE1 3.78Å; V118-F120 HydrophobicContact CB-CE1 4.47Å; V118-F120 HydrophobicContact CG1-CE1 3.79Å; V118-F120 HydrophobicContact CG1-CZ 4.03Å; V118-F120 HydrophobicContact CG2-CD1 4.24Å; V118-F120 HydrophobicContact CG2-CE1 3.79Å; F120-F122 HydrophobicContact CB-CZ 4.34Å; F120-Q132 CarbonylContact O-C 3.6Å; F120-Q132 WeakPolarHBondContact O-CA 3.36Å; F120-Y133 PolarHBondContact N-O 3.08Å; F120-Y133 PolarHBondContact O-N 2.67Å; F120-L135 HydrophobicContact CD2-CD1 3.44Å; F120-L135 VanDerWaalsContact CD2-CD1 3.44Å; F120-L135 HydrophobicContact CD2-CD2 4.5Å; F120-L135 HydrophobicContact CE2-CD1 3.51Å; F120-L135 HydrophobicContact CE2-CD2 3.78Å; F120-L135 HydrophobicContact CE2-CG 4.29Å; F120-L135 HydrophobicContact CG-CD1 4.03Å; F120-L135 HydrophobicContact CZ-CD1 4.16Å; F120-L135 HydrophobicContact CZ-CD2 4.31Å
121V97.7Very high94.2Very high7 Ų760.1 Ų60.14%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-123.7134.1177.5179.90000108.7M108 V119 F130 S131 Q132M108-V121 HydrophobicContact CB-CB 4.14Å; M108-V121 PolarHBondContact N-O 3.17Å; M108-V121 PolarHBondContact O-N 3.32Å; V119-V121 HydrophobicContact CG1-CG2 4.09Å; V121-F130 HydrophobicContact CG1-CD2 4.07Å; V121-F130 HydrophobicContact CG1-CE1 4.46Å; V121-F130 HydrophobicContact CG1-CE2 3.32Å; V121-F130 HydrophobicContact CG1-CZ 3.55Å; V121-F130 HydrophobicContact CG2-CZ 4.48Å; V121-S131 CarbonylContact C-O 3.48Å; V121-S131 WeakPolarHBondContact CA-O 3.32Å; V121-Q132 HydrophobicContact CG2-CG 4.15Å
122F97.7Very high94.3Very high2 Ų264.9 Ų64.91%0.00935%0.35CS..EExtended strand (participates in β ladder)trans-121.6133.8172.7-48.5-69.7000109.4A9 I97 M98 A101 D105 T106 F107 F120 F130 S131 Y133A9-F122 HydrophobicContact CB-CD1 4.45Å; I97-F122 HydrophobicContact CG2-CE2 4Å; I97-F122 HydrophobicContact CG2-CZ 4.16Å; M98-F122 HydrophobicContact CE-CE1 3.74Å; M98-F122 HydrophobicContact CE-CZ 4.3Å; M98-F122 HydrophobicContact SD-CE1 3.52Å; M98-F122 VanDerWaalsContact SD-CE1 3.52Å; M98-F122 HydrophobicContact SD-CZ 3.55Å; M98-F122 VanDerWaalsContact SD-CZ 3.55Å; A101-F122 HydrophobicContact CB-CB 4.1Å; A101-F122 HydrophobicContact CB-CD1 3.44Å; A101-F122 VanDerWaalsContact CB-CD1 3.44Å; A101-F122 HydrophobicContact CB-CD2 4.11Å; A101-F122 HydrophobicContact CB-CE1 3.73Å; A101-F122 HydrophobicContact CB-CE2 4.39Å; A101-F122 HydrophobicContact CB-CG 3.63Å; A101-F122 HydrophobicContact CB-CZ 4.21Å; D105-F122 HydrophobicContact CB-CB 4.48Å; T106-F122 WeakPolarHBondContact O-CA 3.23Å; F107-F122 AromaticContact CD2-CD1 3.91Å; F107-F122 HydrophobicContact CD2-CD1 3.91Å; F107-F122 AromaticContact CD2-CE1 3.42Å; F107-F122 HydrophobicContact CD2-CE1 3.42Å; F107-F122 VanDerWaalsContact CD2-CE1 3.42Å; F107-F122 HydrophobicContact CD2-CZ 4.33Å; F107-F122 AromaticContact CE2-CE1 3.98Å; F107-F122 HydrophobicContact CE2-CE1 3.98Å; F107-F122 HydrophobicContact CE2-CZ 4.49Å; F107-F122 HydrophobicContact CG-CE1 4.48Å; F120-F122 HydrophobicContact CB-CZ 4.34Å; F122-F130 CarbonylContact O-C 3.55Å; F122-F130 WeakPolarHBondContact O-CA 3.36Å; F122-S131 PolarHBondContact N-O 3.28Å; F122-S131 PolarHBondContact O-N 3.01Å; F122-Y133 AromaticContact CD2-CD2 3.94Å; F122-Y133 HydrophobicContact CD2-CD2 3.94Å; F122-Y133 AromaticContact CD2-CE2 3.88Å; F122-Y133 HydrophobicContact CD2-CE2 3.88Å; F122-Y133 AromaticContact CE2-CD2 3.63Å; F122-Y133 HydrophobicContact CE2-CD2 3.63Å; F122-Y133 AromaticContact CE2-CE2 3.81Å; F122-Y133 HydrophobicContact CE2-CE2 3.81Å
123E97.2Very high94.4Very high75 Ų7563.5 Ų63.535%0.3534%0.34SS..EExtended strand (participates in β ladder)trans-135122.8179.3-175.3-177.9-16900109.2K5 D105 T106 R129K5-E123 IonicContact NZ-OE2 2.68Å; D105-E123 CarbonylContact C-O 3.58Å; D105-E123 WeakPolarHBondContact CA-O 3.24Å; T106-E123 PolarHBondContact N-O 2.87Å; T106-E123 PolarHBondContact O-N 3.23Å; T106-E123 WeakPolarHBondContact OG1-CB 3.19Å; T106-E123 PolarHBondContact OG1-O 3.36Å; E123-R129 WeakPolarHBondContact CA-O 3.34Å
124A96.7Very high94.8Very high6 Ų664.9 Ų64.95%0.0535%0.354CS..  trans-65.3144.3176.600000110.4D105 S126 G127 R129D105-A124 WeakPolarHBondContact OD1-CA 3.2Å; A124-S126 PolarHBondContact O-N 3.3Å; A124-S126 VanDerWaalsContact O-N 3.09Å; A124-G127 WeakPolarHBondContact O-CA 3.44Å; A124-G127 PolarHBondContact O-N 2.77Å; A124-R129 HydrophobicContact CB-CB 4.05Å; A124-R129 PolarHBondContact N-O 3.34Å
125P94.2Very high95.4Very high91 Ų9157.2 Ų57.259%0.59131%0.313SS*.THydrogen-bonded Turntrans-58.1-27.6178.8-2635.3000113.8D104 G127D104-P125 HydrophobicContact CB-CG 4.25Å; D104-P125 WeakPolarHBondContact O-CG 3.42Å; P125-G127 PolarHBondContact O-N 3.1Å
126S93.1Very high95.7Very high77 Ų7763.5 Ų63.554%0.53834%0.335SS..THydrogen-bonded Turntrans-71.5-14.1174.958.40000113.8A124 E128A124-S126 PolarHBondContact O-N 3.3Å; A124-S126 VanDerWaalsContact O-N 3.09Å; S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 VanDerWaalsContact OG-CD 3.26Å; S126-E128 VanDerWaalsContact OG-CG 3.23Å; S126-E128 WeakPolarHBondContact OG-CG 3.36Å; S126-E128 PolarHBondContact OG-N 3.39Å; S126-E128 PolarHBondContact OG-OE1 3.04Å
127G91.7Very high95.8Very high49 Ų4960.2 Ų60.251%0.50532%0.317SS..SBendtrans73.1-1.2-171.600000114.3A124 P125 R129A124-G127 WeakPolarHBondContact O-CA 3.44Å; A124-G127 PolarHBondContact O-N 2.77Å; P125-G127 PolarHBondContact O-N 3.1Å; G127-R129 VanDerWaalsContact C-N 3.28Å; G127-R129 PolarHBondContact O-N 2.94Å
128E93.6Very high95.6Very high167 Ų16762.1 Ų62.178%0.7833%0.325SS*.SBendtrans-73.4-21.6-173.781-165.2134.300113.4S126S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 VanDerWaalsContact OG-CD 3.26Å; S126-E128 VanDerWaalsContact OG-CG 3.23Å; S126-E128 WeakPolarHBondContact OG-CG 3.36Å; S126-E128 PolarHBondContact OG-N 3.39Å; S126-E128 PolarHBondContact OG-OE1 3.04Å
129R93.9Very high95.3Very high99 Ų9970.3 Ų70.337%0.37437%0.368SS..  trans-132.1124.5-176.5-173.3173.6176.9-161.1-10.2110.7A100 E123 A124 G127A100-R129 PolarHBondContact O-NH2 3.2Å; E123-R129 WeakPolarHBondContact CA-O 3.34Å; A124-R129 HydrophobicContact CB-CB 4.05Å; A124-R129 PolarHBondContact N-O 3.34Å; G127-R129 VanDerWaalsContact C-N 3.28Å; G127-R129 PolarHBondContact O-N 2.94Å
130F95.9Very high94.8Very high123 Ų12371 Ų7154%0.53937%0.371SS..EExtended strand (participates in β ladder)trans-120.9133.4170.3179.5-87.9000108.4V121 F122 Q132V121-F130 HydrophobicContact CG1-CD2 4.07Å; V121-F130 HydrophobicContact CG1-CE1 4.46Å; V121-F130 HydrophobicContact CG1-CE2 3.32Å; V121-F130 HydrophobicContact CG1-CZ 3.55Å; V121-F130 HydrophobicContact CG2-CZ 4.48Å; F122-F130 CarbonylContact O-C 3.55Å; F122-F130 WeakPolarHBondContact O-CA 3.36Å; F130-Q132 HydrophobicContact CE1-CB 3.97Å
131S96.2Very high93.9Very high19 Ų1978.9 Ų78.913%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-137.7130.9179.7-64.10000110.1V121 F122V121-S131 CarbonylContact C-O 3.48Å; V121-S131 WeakPolarHBondContact CA-O 3.32Å; F122-S131 PolarHBondContact N-O 3.28Å; F122-S131 PolarHBondContact O-N 3.01Å
132Q96.9Very high92.7Very high105 Ų10580.6 Ų80.649%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-127130.4-179.2-178175.1-45.500110.3R110 V119 F120 V121 F130R110-Q132 VanDerWaalsContact NH2-OE1 3.14Å; V119-Q132 HydrophobicContact CG1-CG 3.48Å; V119-Q132 VanDerWaalsContact CG1-CG 3.48Å; F120-Q132 CarbonylContact O-C 3.6Å; F120-Q132 WeakPolarHBondContact O-CA 3.36Å; V121-Q132 HydrophobicContact CG2-CG 4.15Å; F130-Q132 HydrophobicContact CE1-CB 3.97Å
133Y97.4Very high91.4Very high80 Ų8086.8 Ų86.831%0.31445%0.452SS..EExtended strand (participates in β ladder)trans-126136.1178.8-63.7-89.2000109.5I97 A100 V119 F120 F122I97-Y133 HydrophobicContact CG2-CD1 4.26Å; I97-Y133 HydrophobicContact CG2-CD2 3.88Å; I97-Y133 HydrophobicContact CG2-CG 3.7Å; A100-Y133 HydrophobicContact CB-CE2 3.79Å; A100-Y133 VanDerWaalsContact CB-OH 3.24Å; A100-Y133 WeakPolarHBondContact CB-OH 3.4Å; V119-Y133 CarbonylContact C-O 3.56Å; V119-Y133 WeakPolarHBondContact CA-O 3.32Å; F120-Y133 PolarHBondContact N-O 3.08Å; F120-Y133 PolarHBondContact O-N 2.67Å; F122-Y133 AromaticContact CD2-CD2 3.94Å; F122-Y133 HydrophobicContact CD2-CD2 3.94Å; F122-Y133 AromaticContact CD2-CE2 3.88Å; F122-Y133 HydrophobicContact CD2-CE2 3.88Å; F122-Y133 AromaticContact CE2-CD2 3.63Å; F122-Y133 HydrophobicContact CE2-CD2 3.63Å; F122-Y133 AromaticContact CE2-CE2 3.81Å; F122-Y133 HydrophobicContact CE2-CE2 3.81Å
134S95.8Very high90.3Very high77 Ų7787.5 Ų87.554%0.53846%0.456SS..EExtended strand (participates in β ladder)trans-108.9124.9172179.30000109.1T117 V118T117-S134 WeakPolarHBondContact CB-OG 3.4Å; V118-S134 WeakPolarHBondContact O-CA 3.45Å
135L95.2Very high89.3Confident15 Ų1588.4 Ų88.48%0.07946%0.46CS..EExtended strand (participates in β ladder)trans-111139.7177-68.981.6000109.2L89 I97 T117 V118 F120L89-L135 HydrophobicContact CD2-CD2 4.39Å; I97-L135 HydrophobicContact CD1-CD1 3.38Å; I97-L135 HydrophobicContact CD1-CD2 3.65Å; I97-L135 HydrophobicContact CD1-CG 3.35Å; I97-L135 HydrophobicContact CG2-CD1 4.5Å; T117-L135 CarbonylContact C-O 3.55Å; T117-L135 WeakPolarHBondContact CA-O 3.49Å; T117-L135 VanDerWaalsContact CB-O 3.27Å; T117-L135 WeakPolarHBondContact CB-O 3.14Å; V118-L135 HydrophobicContact CG1-CB 3.98Å; V118-L135 PolarHBondContact N-O 3.4Å; V118-L135 PolarHBondContact O-N 3.32Å; F120-L135 HydrophobicContact CD2-CD1 3.44Å; F120-L135 VanDerWaalsContact CD2-CD1 3.44Å; F120-L135 HydrophobicContact CD2-CD2 4.5Å; F120-L135 HydrophobicContact CE2-CD1 3.51Å; F120-L135 HydrophobicContact CE2-CD2 3.78Å; F120-L135 HydrophobicContact CE2-CG 4.29Å; F120-L135 HydrophobicContact CG-CD1 4.03Å; F120-L135 HydrophobicContact CZ-CD1 4.16Å; F120-L135 HydrophobicContact CZ-CD2 4.31Å
136K95.5Very high88.3Confident173 Ų17387.5 Ų87.575%0.75247%0.466SS*.EExtended strand (participates in β ladder)trans-69.8135.7167.4-67.3-171.9175.4-170.20110.3D116 T117D116-K136 WeakPolarHBondContact O-CA 3.2Å; T117-K136 HydrophobicContact CG2-CG 4.44Å
137L95.4Very high87.7Confident41 Ų4186.5 Ų86.522%0.21545%0.454CS..  trans-79.3160.3169.7-64.1173.5000109.8L87 G88 L89 D116 V118L87-L137 HydrophobicContact CB-CD2 3.92Å; L87-L137 HydrophobicContact CD2-CD1 3.81Å; L87-L137 HydrophobicContact CD2-CD2 4.18Å; G88-L137 WeakPolarHBondContact O-CA 3.38Å; L89-L137 HydrophobicContact CD2-CD2 3.81Å; L89-L137 HydrophobicContact CG-CD2 4.23Å; D116-L137 PolarHBondContact O-N 3Å; V118-L137 HydrophobicContact CB-CD2 3.98Å; V118-L137 HydrophobicContact CG1-CD2 3.93Å
138M92.2Very high87.1Confident72 Ų7286.9 Ų86.936%0.35545%0.448SS..  trans-127.3148.9171.864.6-165.7-59.900109.8D25 G88 N90 L140D25-M138 HydrophobicContact CB-CE 4.32Å; D25-M138 HydrophobicContact CB-SD 4.06Å; G88-M138 WeakPolarHBondContact CA-O 3.38Å; G88-M138 PolarHBondContact O-N 3.01Å; N90-M138 HydrophobicContact CB-SD 4.36Å; M138-L140 HydrophobicContact CE-CD2 3.76Å; M138-L140 HydrophobicContact CG-CD1 4.47Å; M138-L140 HydrophobicContact CG-CD2 3.92Å; M138-L140 HydrophobicContact CG-CG 3.97Å; M138-L140 HydrophobicContact SD-CD2 4.02Å
139D89Confident86.4Confident171 Ų17187.3 Ų87.391%0.91446%0.456SS*.  trans-78.6123.2171.8-59.6-46000108.5
140L87.1Confident85.9Confident41 Ų4184.6 Ų84.622%0.21545%0.45CS..  trans-116129.9175.8-63.3176.5000108.3D25 A26 Q27 M138 T142D25-L140 HydrophobicContact CB-CD1 4.21Å; D25-L140 HydrophobicContact CB-CD2 3.92Å; A26-L140 WeakPolarHBondContact O-CD1 3.45Å; Q27-L140 HydrophobicContact CB-CD1 4.19Å; Q27-L140 PolarHBondContact OE1-O 3.31Å; M138-L140 HydrophobicContact CE-CD2 3.76Å; M138-L140 HydrophobicContact CG-CD1 4.47Å; M138-L140 HydrophobicContact CG-CD2 3.92Å; M138-L140 HydrophobicContact CG-CG 3.97Å; M138-L140 HydrophobicContact SD-CD2 4.02Å; L140-T142 HydrophobicContact CB-CG2 3.83Å; L140-T142 PolarHBondContact O-N 3.47Å
141D79.7Confident85.5Confident166 Ų16685.6 Ų85.689%0.88846%0.457SS*.  trans-83.1101.9168.4-163.26.5000107.4
142T73.1Confident85.4Confident43 Ų4385.9 Ų85.926%0.26446%0.455SS..  trans-120.1129.3-176.5580000110.9Q27 L140Q27-T142 HydrophobicContact CB-CG2 3.77Å; Q27-T142 PolarHBondContact NE2-OG1 2.83Å; Q27-T142 VanDerWaalsContact NE2-OG1 3.08Å; Q27-T142 PolarHBondContact OE1-OG1 2.98Å; L140-T142 HydrophobicContact CB-CG2 3.83Å; L140-T142 PolarHBondContact O-N 3.47Å
143E70.6Confident85.3Confident132 Ų13282.5 Ų82.562%0.61744%0.44SS*.PPolyproline II helixtrans-100.2119.1171.5-66.7-175.9159.500109.2Q44Q44-E143 PolarHBondContact NE2-OE2 3.1Å
144H72.4Confident85.2Confident90 Ų9078.7 Ų78.742%0.41743%0.425SS..PPolyproline II helixtrans-75.1127.9170.6-6892.6000109.9D29D29-H144 IonicContact OD1-CE1 3.96Å; D29-H144 IonicContact OD1-NE2 2.64Å; D29-H144 IonicContact OD2-CD2 3.91Å; D29-H144 IonicContact OD2-CE1 2.82Å; D29-H144 PolarHBondContact OD2-CE1 2.9Å; D29-H144 IonicContact OD2-NE2 2.59Å; D29-H144 PolarHBondContact OD2-NE2 2.87Å
145L75.5Confident85.3Confident26 Ų2676.6 Ų76.614%0.13641%0.409CS..PPolyproline II helixtrans-95.6128.6173-58.9-173.7000109.6Q38 S40 Q44 L66 I147Q38-L145 PolarHBondContact NE2-O 2.85Å; Q38-L145 PolarHBondContact OE1-O 3.37Å; S40-L145 VanDerWaalsContact CB-CD1 3.46Å; S40-L145 WeakPolarHBondContact OG-CD1 3.31Å; Q44-L145 HydrophobicContact CG-CD1 3.83Å; Q44-L145 HydrophobicContact CG-CD2 3.31Å; Q44-L145 HydrophobicContact CG-CG 4.23Å; L66-L145 HydrophobicContact CD1-CB 4.23Å; L66-L145 HydrophobicContact CD1-CD1 3.99Å; L145-I147 PolarHBondContact O-N 3.48Å; L145-I147 VanDerWaalsContact O-N 3.15Å
146G74.8Confident85.4Confident71 Ų7175.9 Ų75.973%0.73241%0.406SS*.  trans-64.2113.7167.100000109P148G146-P148 WeakPolarHBondContact O-CD 3.32Å
147I79.5Confident85.5Confident56 Ų5669.2 Ų69.229%0.28738%0.379SS..  trans-85114.4171.3-58.7169.7000106.4F47 L66 A68 L145 Y266F47-I147 HydrophobicContact CE1-CG2 4.37Å; L66-I147 HydrophobicContact CD2-CD1 3.97Å; A68-I147 HydrophobicContact CB-CD1 3.91Å; L145-I147 PolarHBondContact O-N 3.48Å; L145-I147 VanDerWaalsContact O-N 3.15Å; I147-Y266 HydrophobicContact CD1-CE2 3.71Å; I147-Y266 HydrophobicContact CG2-CE1 4.24Å; I147-Y266 HydrophobicContact CG2-CE2 4.45Å
148P78.6Confident85.6Confident58 Ų5867.2 Ų67.238%0.37737%0.369SS..  trans-69.1152.9179.328.8-34000111.4F47 G146 T150F47-P148 HydrophobicContact CB-CG 4.24Å; F47-P148 VanDerWaalsContact CD1-CD 3.47Å; F47-P148 HydrophobicContact CD1-CG 3.71Å; F47-P148 HydrophobicContact CG-CG 4.38Å; G146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.12Å; P148-T150 PolarHBondContact O-OG1 3.28Å
149D79.6Confident85.9Confident176 Ų17664.8 Ų64.894%0.94136%0.358SS*.  trans-71.590.1168.5-70.9-33.3000109
150T83.8Confident86.3Confident41 Ų4156.7 Ų56.725%0.25232%0.315SS..  trans-88.7133.6-178.2-58.90000111.1P148 Y152 M249P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.12Å; P148-T150 PolarHBondContact O-OG1 3.28Å; T150-Y152 HydrophobicContact CG2-CD1 4.43Å; T150-Y152 HydrophobicContact CG2-CD2 4.23Å; T150-Y152 HydrophobicContact CG2-CE1 4.23Å; T150-Y152 HydrophobicContact CG2-CE2 4.01Å; T150-Y152 HydrophobicContact CG2-CG 4.45Å; T150-M249 HydrophobicContact CG2-CE 3.57Å
151Q88.1Confident86.8Confident145 Ų14558.3 Ų58.368%0.67834%0.335SS*.  trans-89115.3167-65.3-171.924.800109.4
152Y93.6Very high87.6Confident24 Ų2453.1 Ų53.19%0.09431%0.305CS..  trans-87.9152.3179-72-82.5000112T150 R216 S244 S246 P250 A252T150-Y152 HydrophobicContact CG2-CD1 4.43Å; T150-Y152 HydrophobicContact CG2-CD2 4.23Å; T150-Y152 HydrophobicContact CG2-CE1 4.23Å; T150-Y152 HydrophobicContact CG2-CE2 4.01Å; T150-Y152 HydrophobicContact CG2-CG 4.45Å; Y152-R216 WeakPolarHBondContact O-CD 3.48Å; Y152-S244 VanDerWaalsContact CG-CB 3.45Å; Y152-S246 WeakPolarHBondContact CA-OG 3.32Å; Y152-P250 WeakPolarHBondContact CE1-O 3.49Å; Y152-P250 PolarHBondContact OH-O 3Å; Y152-A252 HydrophobicContact CE2-CB 4.16Å
153N94.2Very high88.8Confident34 Ų3451 Ų5118%0.18229%0.292CS..SBendtrans-74.5-34.3178.4-74.86.5000111.2R216 E217 L245 S246N153-R216 WeakPolarHBondContact O-CB 3.43Å; N153-R216 PolarHBondContact O-N 3Å; N153-E217 HydrophobicContact CB-CB 4.19Å; N153-E217 PolarHBondContact ND2-OE2 2.81Å; N153-E217 PolarHBondContact O-N 2.83Å; N153-L245 PolarHBondContact N-O 2.85Å; N153-L245 VanDerWaalsContact N-O 3.09Å; N153-S246 PolarHBondContact N-OG 2.89Å; N153-S246 PolarHBondContact OD1-OG 2.82Å
154C95.5Very high90.1Very high0 Ų045.8 Ų45.80%027%0.27CS..EExtended strand (participates in β ladder)trans-131.3133.6178.7-59.50000110C181 D214 L215 E217 C219 S244 L245C154-C181 HydrophobicContact CB-CB 4.1Å; C154-D214 CarbonylContact C-O 3.54Å; C154-D214 WeakPolarHBondContact CA-O 3.37Å; C154-L215 HydrophobicContact CB-CD1 4.43Å; C154-L215 WeakPolarHBondContact SG-CD1 3.2Å; C154-E217 PolarHBondContact SG-O 3.06Å; C154-C219 PolarHBondContact SG-SG 3.41Å; C154-S244 CarbonylContact O-C 3.47Å; C154-S244 WeakPolarHBondContact O-CA 3.43Å; C154-L245 HydrophobicContact CB-CB 4.44Å; C154-L245 HydrophobicContact CB-CD1 4.35Å; C154-L245 PolarHBondContact N-O 2.86Å; C154-L245 PolarHBondContact O-N 2.85Å
155V97Very high91.3Very high33 Ų3347.8 Ų47.820%0.227%0.274CS..EExtended strand (participates in β ladder)trans-125.6113.1167.1-176.80000108.4D214 Q242 L243V155-D214 HydrophobicContact CB-CB 4.32Å; V155-D214 PolarHBondContact N-O 2.91Å; V155-D214 PolarHBondContact O-N 2.74Å; V155-Q242 VanDerWaalsContact CG1-CD 3.45Å; V155-Q242 HydrophobicContact CG1-CG 3.56Å; V155-L243 CarbonylContact C-O 3.28Å; V155-L243 WeakPolarHBondContact CA-O 3.4Å
156V97.4Very high92.4Very high1 Ų146.6 Ų46.61%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-114.8126.2-176.3-166.90000109.4L158 I186 V211 S212 L213 Q242 L243 L245V156-L158 HydrophobicContact CG1-CD2 4.23Å; V156-I186 HydrophobicContact CB-CD1 4.27Å; V156-I186 HydrophobicContact CG1-CB 4.38Å; V156-I186 HydrophobicContact CG1-CD1 4.26Å; V156-I186 HydrophobicContact CG1-CG2 4.09Å; V156-I186 HydrophobicContact CG2-CD1 4.04Å; V156-V211 HydrophobicContact CG1-CG1 4.26Å; V156-S212 CarbonylContact C-O 3.48Å; V156-S212 WeakPolarHBondContact CA-O 3.4Å; V156-L213 HydrophobicContact CG2-CD1 3.66Å; V156-Q242 CarbonylContact O-C 3.59Å; V156-Q242 WeakPolarHBondContact O-CA 3.27Å; V156-L243 PolarHBondContact N-O 3.13Å; V156-L243 PolarHBondContact O-N 2.83Å; V156-L245 HydrophobicContact CG2-CD1 4.37Å
157T98Very high93.5Very high32 Ų3243.2 Ų43.220%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-110.1128.1170.2-51.50000108.8V211 S212 T240 V241T157-V211 WeakPolarHBondContact O-CA 3.47Å; T157-S212 VanDerWaalsContact CB-OG 3.31Å; T157-S212 WeakPolarHBondContact CB-OG 3.46Å; T157-S212 PolarHBondContact N-O 2.58Å; T157-S212 PolarHBondContact O-N 3.04Å; T157-T240 HydrophobicContact CG2-CG2 4.37Å; T157-V241 WeakPolarHBondContact CA-O 3.37Å
158L98Very high94.3Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-142.2167.7-179.166149.1000110.9V156 S160 F163 L201 V211 T240 V241 L243V156-L158 HydrophobicContact CG1-CD2 4.23Å; L158-S160 PolarHBondContact O-N 3.49Å; L158-F163 HydrophobicContact CD1-CB 3.91Å; L158-F163 HydrophobicContact CG-CB 4.46Å; L158-L201 HydrophobicContact CD1-CD1 3.62Å; L158-V211 HydrophobicContact CB-CG2 4.17Å; L158-T240 CarbonylContact O-C 3.56Å; L158-T240 WeakPolarHBondContact O-CA 3.5Å; L158-V241 HydrophobicContact CD2-CG1 3.92Å; L158-V241 HydrophobicContact CG-CG1 3.83Å; L158-V241 PolarHBondContact N-O 3.18Å; L158-V241 PolarHBondContact O-N 3.2Å; L158-L243 HydrophobicContact CD2-CD1 3.7Å; L158-L243 HydrophobicContact CD2-CG 3.87Å
159P97.8Very high95.1Very high20 Ų2048.2 Ų48.213%0.1325%0.246CC..EExtended strand (participates in β ladder)trans-63.8129.8177.9-21.334.6000111.3A161 E162 F163 E210 P239P159-A161 PolarHBondContact O-N 2.87Å; P159-E162 HydrophobicContact CB-CB 4.25Å; P159-E162 PolarHBondContact O-N 2.72Å; P159-F163 PolarHBondContact O-N 3.25Å; P159-F163 VanDerWaalsContact O-N 3.07Å; P159-E210 WeakPolarHBondContact CD-O 3.2Å; P159-P239 WeakPolarHBondContact CA-O 3.39Å
160S98.1Very high96Very high1 Ų140 Ų401%0.00720%0.202CC..Hα-helixtrans-59.4-34.7-178.8-65.40000112.9L158 E162 S164 S238 P239 T240 V241L158-S160 PolarHBondContact O-N 3.49Å; S160-E162 VanDerWaalsContact C-N 3.35Å; S160-S164 WeakPolarHBondContact O-CB 3.39Å; S160-S164 PolarHBondContact O-N 3.49Å; S160-S238 WeakPolarHBondContact CB-O 3.35Å; S160-S238 PolarHBondContact OG-O 2.79Å; S160-P239 PolarHBondContact N-O 2.87Å; S160-T240 WeakPolarHBondContact OG-CA 3.5Å; S160-T240 PolarHBondContact OG-N 2.91Å; S160-T240 PolarHBondContact OG-O 3.5Å; S160-V241 PolarHBondContact OG-N 3.02Å
161A97.5Very high96.5Very high76 Ų7642.1 Ų42.163%0.62821%0.211SC*.Hα-helixtrans-65.9-38.1177.900000111.9P159 S164 R165P159-A161 PolarHBondContact O-N 2.87Å; A161-S164 PolarHBondContact O-N 2.78Å; A161-R165 WeakPolarHBondContact O-CB 3.3Å; A161-R165 PolarHBondContact O-N 2.82Å
162E97.5Very high96.8Very high56 Ų5639.3 Ų39.326%0.26221%0.207SC..Hα-helixtrans-71-44.8177.4-173.461.7-170.500110.6P159 S160 S164 R165 I166 L201P159-E162 HydrophobicContact CB-CB 4.25Å; P159-E162 PolarHBondContact O-N 2.72Å; S160-E162 VanDerWaalsContact C-N 3.35Å; E162-S164 VanDerWaalsContact C-N 3.28Å; E162-S164 PolarHBondContact O-N 3.36Å; E162-R165 WeakPolarHBondContact O-CB 3.35Å; E162-R165 PolarHBondContact O-N 3.2Å; E162-R165 VanDerWaalsContact O-N 3.13Å; E162-R165 IonicContact OE2-NH1 3.61Å; E162-I166 HydrophobicContact CG-CD1 4.01Å; E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.42Å; E162-I166 PolarHBondContact O-N 2.93Å; E162-L201 HydrophobicContact CG-CD1 4.21Å; E162-L201 HydrophobicContact CG-CD2 4.25Å
163F98.2Very high96.8Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-56-43.6172.1-179.3-114.5000112.1L158 P159 R165 I166 C167 F188 A232 V241 L243 V253 F255L158-F163 HydrophobicContact CD1-CB 3.91Å; L158-F163 HydrophobicContact CG-CB 4.46Å; P159-F163 PolarHBondContact O-N 3.25Å; P159-F163 VanDerWaalsContact O-N 3.07Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 3.09Å; F163-I166 PolarHBondContact O-N 3.45Å; F163-C167 PolarHBondContact O-N 2.96Å; F163-C167 PolarHBondContact O-SG 2.87Å; F163-C167 VanDerWaalsContact O-SG 3.41Å; F163-F188 HydrophobicContact CD2-CE1 4.38Å; F163-F188 HydrophobicContact CD2-CZ 4.45Å; F163-F188 HydrophobicContact CE2-CE1 4.25Å; F163-A232 HydrophobicContact CD1-CB 4.28Å; F163-A232 HydrophobicContact CE1-CB 4.21Å; F163-V241 HydrophobicContact CB-CG1 3.64Å; F163-V241 HydrophobicContact CD1-CG1 4.08Å; F163-V241 HydrophobicContact CD1-CG2 4.35Å; F163-V241 HydrophobicContact CG-CG1 3.89Å; F163-L243 HydrophobicContact CD2-CD1 4.09Å; F163-L243 HydrophobicContact CD2-CD2 4.39Å; F163-L243 HydrophobicContact CE1-CD2 4.49Å; F163-L243 HydrophobicContact CE2-CD1 3.93Å; F163-L243 HydrophobicContact CE2-CD2 3.93Å; F163-L243 HydrophobicContact CZ-CD2 3.98Å; F163-V253 HydrophobicContact CE1-CG1 4.1Å; F163-V253 HydrophobicContact CZ-CG1 4.4Å; F163-F255 HydrophobicContact CD1-CZ 4.17Å; F163-F255 HydrophobicContact CE1-CZ 4.36Å
164S97.8Very high96.8Very high22 Ų2238.6 Ų38.615%0.15421%0.208CC..Hα-helixtrans-63.1-38177.8-170.40000113S160 A161 E162 R168 A232S160-S164 WeakPolarHBondContact O-CB 3.39Å; S160-S164 PolarHBondContact O-N 3.49Å; A161-S164 PolarHBondContact O-N 2.78Å; E162-S164 VanDerWaalsContact C-N 3.28Å; E162-S164 PolarHBondContact O-N 3.36Å; S164-R168 WeakPolarHBondContact O-CB 3.33Å; S164-R168 PolarHBondContact O-N 2.91Å; S164-A232 PolarHBondContact OG-O 3.42Å
165R97.5Very high96.7Very high132 Ų13246.2 Ų46.250%0.49824%0.244SC..Hα-helixtrans-67.1-49.1174.8-178-179.4173.6-149.20.8111.4A161 E162 F163 C167 R168 D169A161-R165 WeakPolarHBondContact O-CB 3.3Å; A161-R165 PolarHBondContact O-N 2.82Å; E162-R165 WeakPolarHBondContact O-CB 3.35Å; E162-R165 PolarHBondContact O-N 3.2Å; E162-R165 VanDerWaalsContact O-N 3.13Å; E162-R165 IonicContact OE2-NH1 3.61Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 3.09Å; R165-C167 PolarHBondContact O-N 2.86Å; R165-R168 WeakPolarHBondContact O-CB 3.29Å; R165-R168 PolarHBondContact O-N 2.83Å; R165-R168 VanDerWaalsContact O-N 3.11Å; R165-D169 IonicContact NE-OD2 2.7Å; R165-D169 WeakPolarHBondContact O-CB 3.44Å; R165-D169 VanDerWaalsContact O-CG 3.29Å; R165-D169 PolarHBondContact O-N 2.75Å
166I98.1Very high96.5Very high1 Ų146 Ų461%0.00524%0.244CC..Hα-helixtrans-53.9-51.1178-71.3168.9000111E162 F163 R168 D169 L170 F188 I199 L201E162-I166 HydrophobicContact CG-CD1 4.01Å; E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.42Å; E162-I166 PolarHBondContact O-N 2.93Å; F163-I166 PolarHBondContact O-N 3.45Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 3.35Å; I166-D169 PolarHBondContact O-N 3.44Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.5Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 3Å; I166-F188 HydrophobicContact CD1-CD2 3.93Å; I166-F188 HydrophobicContact CD1-CE2 3.88Å; I166-F188 HydrophobicContact CG2-CB 3.76Å; I166-F188 HydrophobicContact CG2-CD1 3.92Å; I166-F188 HydrophobicContact CG2-CD2 3.93Å; I166-F188 HydrophobicContact CG2-CG 3.61Å; I166-I199 HydrophobicContact CB-CD1 4.34Å; I166-I199 HydrophobicContact CD1-CG2 4.05Å; I166-I199 HydrophobicContact CG1-CD1 4.01Å; I166-I199 HydrophobicContact CG1-CG2 3.97Å; I166-I199 HydrophobicContact CG2-CD1 4.23Å; I166-L201 HydrophobicContact CD1-CD1 3.87Å; I166-L201 HydrophobicContact CD1-CG 4.32Å
167C97.5Very high96.5Very high0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-60.1-40.2179.4-710000112.2F163 R165 L171 S229 A232F163-C167 PolarHBondContact O-N 2.96Å; F163-C167 PolarHBondContact O-SG 2.87Å; F163-C167 VanDerWaalsContact O-SG 3.41Å; R165-C167 PolarHBondContact O-N 2.86Å; C167-L171 VanDerWaalsContact O-CB 3.27Å; C167-L171 WeakPolarHBondContact O-CB 3.43Å; C167-L171 PolarHBondContact O-N 3.39Å; C167-S229 PolarHBondContact O-OG 2.87Å; C167-A232 HydrophobicContact CB-CB 4.2Å
168R95.9Very high96.4Very high156 Ų15646.2 Ų46.259%0.58925%0.245SC*.Hα-helixtrans-67.9-44.4178.8-170.9-171.7-51.5145.711112.3S164 R165 I166 L171S164-R168 WeakPolarHBondContact O-CB 3.33Å; S164-R168 PolarHBondContact O-N 2.91Å; R165-R168 WeakPolarHBondContact O-CB 3.29Å; R165-R168 PolarHBondContact O-N 2.83Å; R165-R168 VanDerWaalsContact O-N 3.11Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 3.35Å; R168-L171 PolarHBondContact O-N 2.66Å
169D96.6Very high96.4Very high63 Ų6346.2 Ų46.234%0.33725%0.245SC..Hα-helixtrans-65.1-47.2-179.1-68-6.1000109.6R165 I166 L171 S172R165-D169 IonicContact NE-OD2 2.7Å; R165-D169 WeakPolarHBondContact O-CB 3.44Å; R165-D169 VanDerWaalsContact O-CG 3.29Å; R165-D169 PolarHBondContact O-N 2.75Å; I166-D169 PolarHBondContact O-N 3.44Å; D169-L171 PolarHBondContact O-N 3.39Å; D169-S172 PolarHBondContact O-N 3.21Å; D169-S172 PolarHBondContact O-OG 3.43Å
170L97Very high96.3Very high4 Ų446.9 Ų46.92%0.02125%0.249CC..Hα-helixtrans-73.7-22-180-63.2-178.9000114.1I166 S172 V173 G174 I177 F188 I199I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.5Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 3Å; L170-S172 PolarHBondContact O-N 2.96Å; L170-V173 PolarHBondContact O-N 3.41Å; L170-V173 VanDerWaalsContact O-N 3.08Å; L170-G174 PolarHBondContact O-N 3.17Å; L170-G174 VanDerWaalsContact O-N 3.16Å; L170-I177 HydrophobicContact CB-CD1 3.76Å; L170-I177 HydrophobicContact CB-CG1 3.88Å; L170-I177 HydrophobicContact CD1-CD1 3.9Å; L170-I177 HydrophobicContact CD1-CG1 3.92Å; L170-I177 HydrophobicContact CD1-CG2 4.06Å; L170-I177 HydrophobicContact CG-CD1 4.47Å; L170-F188 HydrophobicContact CD1-CB 3.58Å; L170-I199 HydrophobicContact CD2-CD1 4.25Å; L170-I199 HydrophobicContact CG-CD1 4.21Å
171L94.7Very high96.3Very high84 Ų8446.9 Ų46.944%0.4425%0.249SC..Hα-helixtrans-61.8-30.5170.6-177.165.2000112.1C167 R168 D169 V173 T225C167-L171 VanDerWaalsContact O-CB 3.27Å; C167-L171 WeakPolarHBondContact O-CB 3.43Å; C167-L171 PolarHBondContact O-N 3.39Å; R168-L171 PolarHBondContact O-N 2.66Å; D169-L171 PolarHBondContact O-N 3.39Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-T225 VanDerWaalsContact CA-CG2 3.41Å; L171-T225 HydrophobicContact CB-CG2 3.77Å; L171-T225 HydrophobicContact CD1-CG2 3.82Å; L171-T225 HydrophobicContact CG-CG2 4.42Å
172S94Very high96.1Very high87 Ų8745.8 Ų45.861%0.60823%0.233SC*.THydrogen-bonded Turntrans-77.2-15.2175.674.80000113.7D169 L170D169-S172 PolarHBondContact O-N 3.21Å; D169-S172 PolarHBondContact O-OG 3.43Å; L170-S172 PolarHBondContact O-N 2.96Å
173V95.5Very high95.8Very high32 Ų3251.7 Ų51.719%0.19426%0.258CS..THydrogen-bonded Turntrans-90.8-46.8-178.9177.90000111.5L170 L171 G192L170-V173 PolarHBondContact O-N 3.41Å; L170-V173 VanDerWaalsContact O-N 3.08Å; L171-V173 VanDerWaalsContact C-N 3.29Å; V173-G192 VanDerWaalsContact O-CA 3.27Å; V173-G192 WeakPolarHBondContact O-CA 3.37Å; V173-G192 PolarHBondContact O-N 3.21Å
174G93.2Very high95.4Very high10 Ų1053.6 Ų53.610%0.10327%0.271CS..  trans-170.1165.6-170.800000114.7L170 S176 S190 T225L170-G174 PolarHBondContact O-N 3.17Å; L170-G174 VanDerWaalsContact O-N 3.16Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 3.07Å; G174-S190 WeakPolarHBondContact CA-OG 3.39Å; G174-S190 PolarHBondContact N-OG 3.22Å; G174-T225 PolarHBondContact O-OG1 3.46Å
175E92.9Very high95.2Very high160 Ų16052.6 Ų52.675%0.74826%0.264SS*.SBendtrans-82.9-5.3-174.9-57.3-170.8165.900114.1T225 K270E175-T225 PolarHBondContact O-N 2.88Å; E175-T225 VanDerWaalsContact O-N 3.09Å; E175-T225 PolarHBondContact O-OG1 3.43Å; E175-K270 PolarHBondContact O-NZ 3.22Å
176S94.2Very high95.2Very high29 Ų2946.3 Ų46.320%0.20324%0.24CC..EExtended strand (participates in β ladder)trans-126.3136.1177.3-160.70000110.7G174 S190 F223 T225 K270G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 3.07Å; S176-S190 WeakPolarHBondContact O-CB 3.48Å; S176-S190 PolarHBondContact O-OG 3.42Å; S176-S190 VanDerWaalsContact O-OG 3.05Å; S176-F223 CarbonylContact C-O 3.54Å; S176-F223 WeakPolarHBondContact CA-O 3.45Å; S176-T225 VanDerWaalsContact C-OG1 3.23Å; S176-T225 WeakPolarHBondContact CA-OG1 3.47Å; S176-T225 PolarHBondContact N-OG1 3.02Å; S176-T225 VanDerWaalsContact N-OG1 3.12Å; S176-K270 WeakPolarHBondContact OG-CD 3.16Å
177I95.9Very high95.2Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-111.1121.2164.6-66172.6000107.8L170 I179 F188 S189 S222 F223 T225 L228L170-I177 HydrophobicContact CB-CD1 3.76Å; L170-I177 HydrophobicContact CB-CG1 3.88Å; L170-I177 HydrophobicContact CD1-CD1 3.9Å; L170-I177 HydrophobicContact CD1-CG1 3.92Å; L170-I177 HydrophobicContact CD1-CG2 4.06Å; L170-I177 HydrophobicContact CG-CD1 4.47Å; I177-I179 HydrophobicContact CG2-CG1 3.88Å; I177-F188 HydrophobicContact CG2-CB 4.15Å; I177-F188 HydrophobicContact CG2-CD1 4.15Å; I177-S189 CarbonylContact C-O 3.58Å; I177-S189 VanDerWaalsContact CA-O 3.3Å; I177-S189 WeakPolarHBondContact CA-O 3.46Å; I177-S222 CarbonylContact O-C 3.6Å; I177-S222 WeakPolarHBondContact O-CA 3.48Å; I177-F223 PolarHBondContact N-O 3.07Å; I177-F223 PolarHBondContact O-N 3.18Å; I177-T225 HydrophobicContact CD1-CG2 3.52Å; I177-T225 HydrophobicContact CG1-CG2 3.77Å; I177-T225 PolarHBondContact N-OG1 3.23Å; I177-L228 HydrophobicContact CB-CD1 4.22Å; I177-L228 HydrophobicContact CD1-CD1 4.16Å
178T96.7Very high95.2Very high37 Ų3747.1 Ų47.123%0.22725%0.245CC..EExtended strand (participates in β ladder)trans-86.8119.7165.8-52.50000108.9S189 V221 S222T178-S189 PolarHBondContact N-O 2.93Å; T178-S189 PolarHBondContact O-N 3.13Å; T178-V221 WeakPolarHBondContact CA-O 3.3Å; T178-S222 PolarHBondContact OG1-OG 2.64Å
179I97.4Very high95.3Very high0 Ų041.1 Ų41.10%023%0.227CC..EExtended strand (participates in β ladder)trans-102.4113.2176.4-54.5179000107.7I177 I186 T187 F188 S220 V221 F223 L228 L245 I251I177-I179 HydrophobicContact CG2-CG1 3.88Å; I179-I186 HydrophobicContact CG2-CD1 3.65Å; I179-I186 HydrophobicContact CG2-CG1 3.83Å; I179-T187 WeakPolarHBondContact CA-O 3.47Å; I179-F188 HydrophobicContact CD1-CD1 4.17Å; I179-F188 HydrophobicContact CD1-CE1 3.96Å; I179-F188 HydrophobicContact CG1-CD1 3.83Å; I179-F188 HydrophobicContact CG1-CE1 4.05Å; I179-F188 HydrophobicContact CG2-CD1 4.39Å; I179-F188 HydrophobicContact CG2-CE1 4.17Å; I179-S220 WeakPolarHBondContact O-CA 3.38Å; I179-V221 PolarHBondContact N-O 3.36Å; I179-V221 PolarHBondContact O-N 2.98Å; I179-F223 HydrophobicContact CD1-CD2 3.87Å; I179-F223 HydrophobicContact CD1-CE2 4.16Å; I179-F223 HydrophobicContact CG1-CD2 4.21Å; I179-L228 HydrophobicContact CD1-CD1 4.17Å; I179-L245 HydrophobicContact CB-CD2 4Å; I179-L245 HydrophobicContact CD1-CD2 4.13Å; I179-L245 HydrophobicContact CG2-CD2 3.7Å; I179-I251 HydrophobicContact CD1-CD1 3.9Å
180T97Very high95.3Very high35 Ų3538.4 Ų38.422%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-109.5127.9177.8-52.30000109.2I186 T187 C219 S220T180-I186 WeakPolarHBondContact O-CA 3.33Å; T180-T187 PolarHBondContact N-O 3Å; T180-T187 PolarHBondContact O-N 2.89Å; T180-C219 WeakPolarHBondContact CA-O 3.24Å; T180-S220 PolarHBondContact OG1-OG 3.02Å
181C96.4Very high95.2Very high0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-123.2131.3177.7-168.20000110.5C154 L213 P218 C219C154-C181 HydrophobicContact CB-CB 4.1Å; C181-L213 WeakPolarHBondContact SG-CD1 3.25Å; C181-P218 VanDerWaalsContact O-CA 3.27Å; C181-P218 WeakPolarHBondContact O-CA 3.49Å; C181-C219 PolarHBondContact N-O 3.13Å; C181-C219 PolarHBondContact O-N 3.39Å
182N94.4Very high95.1Very high54 Ų5442 Ų4229%0.28923%0.232SC..EExtended strand (participates in β ladder)trans-147.9-178.2178.867.137.8000109.9S184 G185 L213 P218N182-S184 PolarHBondContact O-N 2.92Å; N182-S184 WeakPolarHBondContact OD1-CB 3.44Å; N182-S184 PolarHBondContact OD1-N 2.59Å; N182-S184 PolarHBondContact OD1-OG 2.82Å; N182-G185 PolarHBondContact N-O 2.93Å; N182-G185 PolarHBondContact O-N 3.27Å; N182-G185 VanDerWaalsContact O-O 3.09Å; N182-L213 WeakPolarHBondContact O-CD2 3.19Å; N182-P218 HydrophobicContact CB-CB 4.5Å
183K91.7Very high95Very high180 Ų18046.2 Ų46.278%0.78325%0.249SC*.THydrogen-bonded Turntrans-56.2-25.4-175.3-69.3-179179.8178.70114.4L215K183-L215 HydrophobicContact CB-CD2 4.21Å; K183-L215 HydrophobicContact CG-CD2 3.64Å
184S88.6Confident94.7Very high39 Ų3952.4 Ų52.427%0.27328%0.279SS..THydrogen-bonded Turntrans-83.1-22.3-178.6740000113.8N182 R200 L202N182-S184 PolarHBondContact O-N 2.92Å; N182-S184 WeakPolarHBondContact OD1-CB 3.44Å; N182-S184 PolarHBondContact OD1-N 2.59Å; N182-S184 PolarHBondContact OD1-OG 2.82Å; S184-R200 VanDerWaalsContact CB-NH2 3.25Å; S184-R200 PolarHBondContact OG-NH2 2.89Å; S184-L202 WeakPolarHBondContact O-CD2 3.28Å
185G93.5Very high94.7Very high1 Ų153.5 Ų53.51%0.0129%0.291CS..EExtended strand (participates in β ladder)trans148.6-153.7-174.600000113.6N182 L201N182-G185 PolarHBondContact N-O 2.93Å; N182-G185 PolarHBondContact O-N 3.27Å; N182-G185 VanDerWaalsContact O-O 3.09Å; G185-L201 WeakPolarHBondContact CA-O 3.49Å
186I97.8Very high94.8Very high0 Ų051.4 Ų51.40%029%0.289CS..EExtended strand (participates in β ladder)trans-121.7136.8-177.5-173168.3000110.2V156 I179 T180 F188 R200 L201 L243V156-I186 HydrophobicContact CB-CD1 4.27Å; V156-I186 HydrophobicContact CG1-CB 4.38Å; V156-I186 HydrophobicContact CG1-CD1 4.26Å; V156-I186 HydrophobicContact CG1-CG2 4.09Å; V156-I186 HydrophobicContact CG2-CD1 4.04Å; I179-I186 HydrophobicContact CG2-CD1 3.65Å; I179-I186 HydrophobicContact CG2-CG1 3.83Å; T180-I186 WeakPolarHBondContact O-CA 3.33Å; I186-F188 HydrophobicContact CB-CE2 4.49Å; I186-F188 HydrophobicContact CD1-CE1 4.16Å; I186-F188 HydrophobicContact CD1-CE2 3.98Å; I186-F188 HydrophobicContact CD1-CZ 3.52Å; I186-F188 HydrophobicContact CG1-CD2 4.48Å; I186-F188 HydrophobicContact CG1-CE2 3.85Å; I186-F188 HydrophobicContact CG1-CZ 3.9Å; I186-F188 HydrophobicContact CG2-CE2 3.93Å; I186-F188 HydrophobicContact CG2-CZ 4.46Å; I186-R200 WeakPolarHBondContact O-CA 3.49Å; I186-L201 HydrophobicContact CG2-CB 3.89Å; I186-L201 HydrophobicContact CG2-CD1 4.4Å; I186-L201 PolarHBondContact N-O 2.94Å; I186-L201 PolarHBondContact O-N 2.99Å; I186-L243 HydrophobicContact CD1-CD1 4Å
187T97.9Very high94.9Very high17 Ų1750.8 Ų50.810%0.10429%0.288CS..EExtended strand (participates in β ladder)trans-123.9132.1179.1-56.80000109.7I179 T180 N198 I199I179-T187 WeakPolarHBondContact CA-O 3.47Å; T180-T187 PolarHBondContact N-O 3Å; T180-T187 PolarHBondContact O-N 2.89Å; T187-N198 WeakPolarHBondContact CG2-ND2 3.34Å; T187-N198 WeakPolarHBondContact CG2-OD1 3.39Å; T187-I199 CarbonylContact C-O 3.6Å; T187-I199 WeakPolarHBondContact CA-O 3.15Å
188F98.2Very high95Very high1 Ų155.9 Ų55.90%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-110.7117.2174.8-56.8-97000108.8F163 I166 L170 I177 I179 I186 N198 I199 L201 L243F163-F188 HydrophobicContact CD2-CE1 4.38Å; F163-F188 HydrophobicContact CD2-CZ 4.45Å; F163-F188 HydrophobicContact CE2-CE1 4.25Å; I166-F188 HydrophobicContact CD1-CD2 3.93Å; I166-F188 HydrophobicContact CD1-CE2 3.88Å; I166-F188 HydrophobicContact CG2-CB 3.76Å; I166-F188 HydrophobicContact CG2-CD1 3.92Å; I166-F188 HydrophobicContact CG2-CD2 3.93Å; I166-F188 HydrophobicContact CG2-CG 3.61Å; L170-F188 HydrophobicContact CD1-CB 3.58Å; I177-F188 HydrophobicContact CG2-CB 4.15Å; I177-F188 HydrophobicContact CG2-CD1 4.15Å; I179-F188 HydrophobicContact CD1-CD1 4.17Å; I179-F188 HydrophobicContact CD1-CE1 3.96Å; I179-F188 HydrophobicContact CG1-CD1 3.83Å; I179-F188 HydrophobicContact CG1-CE1 4.05Å; I179-F188 HydrophobicContact CG2-CD1 4.39Å; I179-F188 HydrophobicContact CG2-CE1 4.17Å; I186-F188 HydrophobicContact CB-CE2 4.49Å; I186-F188 HydrophobicContact CD1-CE1 4.16Å; I186-F188 HydrophobicContact CD1-CE2 3.98Å; I186-F188 HydrophobicContact CD1-CZ 3.52Å; I186-F188 HydrophobicContact CG1-CD2 4.48Å; I186-F188 HydrophobicContact CG1-CE2 3.85Å; I186-F188 HydrophobicContact CG1-CZ 3.9Å; I186-F188 HydrophobicContact CG2-CE2 3.93Å; I186-F188 HydrophobicContact CG2-CZ 4.46Å; F188-N198 WeakPolarHBondContact O-CA 3.33Å; F188-I199 PolarHBondContact N-O 3.16Å; F188-I199 PolarHBondContact O-N 3.39Å; F188-L201 HydrophobicContact CE2-CD1 4.33Å; F188-L243 HydrophobicContact CE1-CD1 4.13Å; F188-L243 HydrophobicContact CZ-CD1 3.93Å
189S97.6Very high95Very high30 Ų3056 Ų5621%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-119.2139.9-178.6-56.80000111I177 T178 G197 N198I177-S189 CarbonylContact C-O 3.58Å; I177-S189 VanDerWaalsContact CA-O 3.3Å; I177-S189 WeakPolarHBondContact CA-O 3.46Å; T178-S189 PolarHBondContact N-O 2.93Å; T178-S189 PolarHBondContact O-N 3.13Å; S189-G197 CarbonylContact C-O 3.59Å; S189-G197 VanDerWaalsContact CA-O 3.29Å; S189-G197 WeakPolarHBondContact CA-O 3.49Å; S189-N198 PolarHBondContact OG-ND2 3.01Å
190S96.6Very high95Very high6 Ų662.7 Ų62.74%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-138145.9173.3-179.60000109.6G174 S176 T196 G197G174-S190 WeakPolarHBondContact CA-OG 3.39Å; G174-S190 PolarHBondContact N-OG 3.22Å; S176-S190 WeakPolarHBondContact O-CB 3.48Å; S176-S190 PolarHBondContact O-OG 3.42Å; S176-S190 VanDerWaalsContact O-OG 3.05Å; S190-T196 CarbonylContact O-C 3.56Å; S190-T196 VanDerWaalsContact O-CA 3.31Å; S190-T196 WeakPolarHBondContact O-CA 3.38Å; S190-G197 PolarHBondContact N-O 3.48Å; S190-G197 PolarHBondContact O-N 3.01Å
191K94.2Very high95Very high136 Ų13662.1 Ų62.159%0.59134%0.335SS*.EExtended strand (participates in β ladder)trans-132.4135.3175.6178.8179.1177.2-172.70108.1T196K191-T196 HydrophobicContact CB-CG2 4.16Å; K191-T196 HydrophobicContact CG-CG2 3.98Å
192G93.4Very high94.9Very high27 Ų2767 Ų6728%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-157.4-166.6170.700000111.1V173 L194 G195V173-G192 VanDerWaalsContact O-CA 3.27Å; V173-G192 WeakPolarHBondContact O-CA 3.37Å; V173-G192 PolarHBondContact O-N 3.21Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.03Å; G192-G195 PolarHBondContact N-O 3.34Å; G192-G195 PolarHBondContact O-N 2.72Å; G192-G195 VanDerWaalsContact O-N 3.16Å; G192-G195 VanDerWaalsContact O-O 3.07Å
193D91.6Very high94.9Very high177 Ų17769.2 Ų69.295%0.94737%0.369SS*.THydrogen-bonded Turntrans-64.3-31-170.5-61.4-23000113.4G195D193-G195 VanDerWaalsContact C-N 3.35Å
194L88.9Confident94.8Very high161 Ų16162.3 Ų62.384%0.84334%0.343SS*.THydrogen-bonded Turntrans-80.6-15.8-179.3-65.1177.4000113.2G192G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.03Å
195G93.3Very high94.9Very high33 Ų3368 Ų6834%0.3437%0.37SS..EExtended strand (participates in β ladder)trans143.1-153-178.600000113.6G192 D193G192-G195 PolarHBondContact N-O 3.34Å; G192-G195 PolarHBondContact O-N 2.72Å; G192-G195 VanDerWaalsContact O-N 3.16Å; G192-G195 VanDerWaalsContact O-O 3.07Å; D193-G195 VanDerWaalsContact C-N 3.35Å
196T96.2Very high94.7Very high116 Ų11672.1 Ų72.171%0.71240%0.395SS*.EExtended strand (participates in β ladder)trans-123.3150.4-179.658.70000110.4S190 K191S190-T196 CarbonylContact O-C 3.56Å; S190-T196 VanDerWaalsContact O-CA 3.31Å; S190-T196 WeakPolarHBondContact O-CA 3.38Å; K191-T196 HydrophobicContact CB-CG2 4.16Å; K191-T196 HydrophobicContact CG-CG2 3.98Å
197G96.5Very high94.1Very high17 Ų1780.8 Ų80.818%0.17544%0.436CS..EExtended strand (participates in β ladder)trans-130136.7172.900000109.4S189 S190S189-G197 CarbonylContact C-O 3.59Å; S189-G197 VanDerWaalsContact CA-O 3.29Å; S189-G197 WeakPolarHBondContact CA-O 3.49Å; S190-G197 PolarHBondContact N-O 3.48Å; S190-G197 PolarHBondContact O-N 3.01Å
198N96.7Very high93.3Very high107 Ų10782.5 Ų82.557%0.57246%0.457SS*.EExtended strand (participates in β ladder)trans-137.8121.9177.5-172.2-73.9000108.8T187 F188 S189T187-N198 WeakPolarHBondContact CG2-ND2 3.34Å; T187-N198 WeakPolarHBondContact CG2-OD1 3.39Å; F188-N198 WeakPolarHBondContact O-CA 3.33Å; S189-N198 PolarHBondContact OG-ND2 3.01Å
199I97.6Very high92.9Very high40 Ų4089.6 Ų89.621%0.20549%0.488CS..EExtended strand (participates in β ladder)trans-125.9119.3178.8-55.8171.8000108I166 L170 T187 F188I166-I199 HydrophobicContact CB-CD1 4.34Å; I166-I199 HydrophobicContact CD1-CG2 4.05Å; I166-I199 HydrophobicContact CG1-CD1 4.01Å; I166-I199 HydrophobicContact CG1-CG2 3.97Å; I166-I199 HydrophobicContact CG2-CD1 4.23Å; L170-I199 HydrophobicContact CD2-CD1 4.25Å; L170-I199 HydrophobicContact CG-CD1 4.21Å; T187-I199 CarbonylContact C-O 3.6Å; T187-I199 WeakPolarHBondContact CA-O 3.15Å; F188-I199 PolarHBondContact N-O 3.16Å; F188-I199 PolarHBondContact O-N 3.39Å
200R96.9Very high92.7Very high139 Ų13991.9 Ų91.953%0.52550%0.495SS..EExtended strand (participates in β ladder)trans-113.5130.5-179.3-175.6173.7180-175.4-1.2110.6S184 I186 L202S184-R200 VanDerWaalsContact CB-NH2 3.25Å; S184-R200 PolarHBondContact OG-NH2 2.89Å; I186-R200 WeakPolarHBondContact O-CA 3.49Å; R200-L202 HydrophobicContact CG-CD2 4.33Å
201L96.6Very high92.7Very high24 Ų2492 Ų9213%0.12650%0.496CS..EExtended strand (participates in β ladder)trans-113.5121.7172-57179.9000108.7L158 E162 I166 G185 I186 F188 V211L158-L201 HydrophobicContact CD1-CD1 3.62Å; E162-L201 HydrophobicContact CG-CD1 4.21Å; E162-L201 HydrophobicContact CG-CD2 4.25Å; I166-L201 HydrophobicContact CD1-CD1 3.87Å; I166-L201 HydrophobicContact CD1-CG 4.32Å; G185-L201 WeakPolarHBondContact CA-O 3.49Å; I186-L201 HydrophobicContact CG2-CB 3.89Å; I186-L201 HydrophobicContact CG2-CD1 4.4Å; I186-L201 PolarHBondContact N-O 2.94Å; I186-L201 PolarHBondContact O-N 2.99Å; F188-L201 HydrophobicContact CE2-CD1 4.33Å; L201-V211 HydrophobicContact CB-CG2 4.37Å
202L95Very high92.8Very high101 Ų10188.6 Ų88.653%0.52949%0.489SS..EExtended strand (participates in β ladder)trans-85.6154.6174-58.4177.7000109.8S184 R200 S204 V211S184-L202 WeakPolarHBondContact O-CD2 3.28Å; R200-L202 HydrophobicContact CG-CD2 4.33Å; L202-S204 PolarHBondContact O-N 3.17Å; L202-V211 WeakPolarHBondContact O-CB 3.34Å
203Q93.4Very high92.8Very high102 Ų10288.4 Ų88.448%0.47748%0.481SS..  trans-55.3134.7169-72.3180-42.200110.1V211 L213Q203-V211 WeakPolarHBondContact CA-O 3.49Å; Q203-L213 HydrophobicContact CG-CB 3.95Å; Q203-L213 HydrophobicContact CG-CD2 4.4Å; Q203-L213 PolarHBondContact NE2-O 2.98Å
204S91.3Very high93Very high34 Ų3484.5 Ų84.524%0.23846%0.46CS..BIsolated β-bridgetrans-156137.6-174164.70000110.2L202 V206 K209 E210 V211L202-S204 PolarHBondContact O-N 3.17Å; S204-V206 WeakPolarHBondContact OG-CG2 3.13Å; S204-V206 PolarHBondContact OG-N 2.86Å; S204-K209 PolarHBondContact OG-O 3.01Å; S204-E210 CarbonylContact O-C 3.52Å; S204-E210 VanDerWaalsContact O-CA 3.24Å; S204-E210 WeakPolarHBondContact O-CA 3.13Å; S204-V211 PolarHBondContact N-O 3.4Å; S204-V211 VanDerWaalsContact N-O 3.14Å; S204-V211 PolarHBondContact O-N 3.23Å
205D90.6Very high93.3Very high158 Ų15878.9 Ų78.985%0.84543%0.431SS*.  trans-104.215.6173.4-63.1-36.7000112.2E207D205-E207 PolarHBondContact O-N 2.87Å
206V87.7Confident93.3Very high89 Ų8984.1 Ų84.154%0.53944%0.441SS..  trans-71.5126.7179.2178.60000110.3S204 G208 K209 E210S204-V206 WeakPolarHBondContact OG-CG2 3.13Å; S204-V206 PolarHBondContact OG-N 2.86Å; V206-G208 PolarHBondContact O-N 3.32Å; V206-K209 HydrophobicContact CB-CB 4.48Å; V206-K209 CarbonylContact O-C 3.58Å; V206-K209 VanDerWaalsContact O-C 3.28Å; V206-K209 WeakPolarHBondContact O-CA 3.3Å; V206-K209 PolarHBondContact O-N 3.43Å; V206-E210 WeakPolarHBondContact O-CG 3.26Å; V206-E210 PolarHBondContact O-N 3.45Å
207E85Confident93.3Very high181 Ų18184.1 Ų84.185%0.84643%0.432SS*.THydrogen-bonded Turntrans-53.1126.7-177.6-164.9178.517500112.8D205 K209 E210D205-E207 PolarHBondContact O-N 2.87Å; E207-K209 PolarHBondContact O-N 3.13Å; E207-E210 WeakPolarHBondContact CA-OE1 3.32Å
208G82.4Confident93.2Very high54 Ų5487.3 Ų87.356%0.55745%0.45SS*.THydrogen-bonded Turntrans76.9-1.4-176.600000115.7V206 E210V206-G208 PolarHBondContact O-N 3.32Å; G208-E210 VanDerWaalsContact C-OE2 3.28Å; G208-E210 WeakPolarHBondContact CA-OE2 3.3Å; G208-E210 PolarHBondContact N-OE1 3.36Å; G208-E210 PolarHBondContact N-OE2 3.02Å
209K88.8Confident93Very high149 Ų14982.4 Ų82.465%0.64842%0.424SS*.SBendtrans-133.627.8176-63.5-175-178.3179.40111.3S204 V206 E207 V211S204-K209 PolarHBondContact OG-O 3.01Å; V206-K209 HydrophobicContact CB-CB 4.48Å; V206-K209 CarbonylContact O-C 3.58Å; V206-K209 VanDerWaalsContact O-C 3.28Å; V206-K209 WeakPolarHBondContact O-CA 3.3Å; V206-K209 PolarHBondContact O-N 3.43Å; E207-K209 PolarHBondContact O-N 3.13Å; K209-V211 PolarHBondContact O-N 3.24Å
210E94.2Very high92.9Very high79 Ų7983.4 Ų83.437%0.36944%0.435SS..  trans-69.6128.5-176-5687.715800109.8P159 S204 V206 E207 G208P159-E210 WeakPolarHBondContact CD-O 3.2Å; S204-E210 CarbonylContact O-C 3.52Å; S204-E210 VanDerWaalsContact O-CA 3.24Å; S204-E210 WeakPolarHBondContact O-CA 3.13Å; V206-E210 WeakPolarHBondContact O-CG 3.26Å; V206-E210 PolarHBondContact O-N 3.45Å; E207-E210 WeakPolarHBondContact CA-OE1 3.32Å; G208-E210 VanDerWaalsContact C-OE2 3.28Å; G208-E210 WeakPolarHBondContact CA-OE2 3.3Å; G208-E210 PolarHBondContact N-OE1 3.36Å; G208-E210 PolarHBondContact N-OE2 3.02Å
211V96.3Very high92.8Very high9 Ų977.2 Ų77.26%0.05541%0.413CS..BIsolated β-bridgetrans-127.8107.1173.9-179.80000107.3V156 T157 L158 L201 L202 Q203 S204 K209V156-V211 HydrophobicContact CG1-CG1 4.26Å; T157-V211 WeakPolarHBondContact O-CA 3.47Å; L158-V211 HydrophobicContact CB-CG2 4.17Å; L201-V211 HydrophobicContact CB-CG2 4.37Å; L202-V211 WeakPolarHBondContact O-CB 3.34Å; Q203-V211 WeakPolarHBondContact CA-O 3.49Å; S204-V211 PolarHBondContact N-O 3.4Å; S204-V211 VanDerWaalsContact N-O 3.14Å; S204-V211 PolarHBondContact O-N 3.23Å; K209-V211 PolarHBondContact O-N 3.24Å
212S95.6Very high92.7Very high63 Ų6376.3 Ų76.344%0.44141%0.408SS..EExtended strand (participates in β ladder)trans-103.4137.6176.372.50000109.8V156 T157V156-S212 CarbonylContact C-O 3.48Å; V156-S212 WeakPolarHBondContact CA-O 3.4Å; T157-S212 VanDerWaalsContact CB-OG 3.31Å; T157-S212 WeakPolarHBondContact CB-OG 3.46Å; T157-S212 PolarHBondContact N-O 2.58Å; T157-S212 PolarHBondContact O-N 3.04Å
213L95.2Very high92.6Very high23 Ų2371.6 Ų71.612%0.1238%0.383CS..EExtended strand (participates in β ladder)trans-131.1121.9179.8159.972.4000109.5V156 C181 N182 Q203 L215V156-L213 HydrophobicContact CG2-CD1 3.66Å; C181-L213 WeakPolarHBondContact SG-CD1 3.25Å; N182-L213 WeakPolarHBondContact O-CD2 3.19Å; Q203-L213 HydrophobicContact CG-CB 3.95Å; Q203-L213 HydrophobicContact CG-CD2 4.4Å; Q203-L213 PolarHBondContact NE2-O 2.98Å; L213-L215 HydrophobicContact CD1-CB 4.06Å; L213-L215 HydrophobicContact CD2-CB 4.26Å; L213-L215 HydrophobicContact CG-CB 4.04Å
214D95.2Very high92.6Very high95 Ų9567.6 Ų67.651%0.50837%0.368SS..EExtended strand (participates in β ladder)trans-100.6112.1163-178.26.4000107.9C154 V155C154-D214 CarbonylContact C-O 3.54Å; C154-D214 WeakPolarHBondContact CA-O 3.37Å; V155-D214 HydrophobicContact CB-CB 4.32Å; V155-D214 PolarHBondContact N-O 2.91Å; V155-D214 PolarHBondContact O-N 2.74Å
215L94.7Very high92.8Very high44 Ų4466 Ų6623%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-120.1117.7-173.3-17971000110.1C154 K183 L213 E217C154-L215 HydrophobicContact CB-CD1 4.43Å; C154-L215 WeakPolarHBondContact SG-CD1 3.2Å; K183-L215 HydrophobicContact CB-CD2 4.21Å; K183-L215 HydrophobicContact CG-CD2 3.64Å; L213-L215 HydrophobicContact CD1-CB 4.06Å; L213-L215 HydrophobicContact CD2-CB 4.26Å; L213-L215 HydrophobicContact CG-CB 4.04Å; L215-E217 WeakPolarHBondContact CD1-O 3.39Å
216R94.3Very high92.9Very high142 Ų14265.6 Ų65.654%0.53635%0.347SS..SBendtrans-94.2-51.7169.8-57.8-179.6179.5-164.7-0.8110.8Y152 N153Y152-R216 WeakPolarHBondContact O-CD 3.48Å; N153-R216 WeakPolarHBondContact O-CB 3.43Å; N153-R216 PolarHBondContact O-N 3Å
217E94.6Very high93.2Very high116 Ų11663.1 Ų63.154%0.54233%0.329SS..SBendtrans-138.8137.8179-66.1-177174.200109.4N153 C154 L215N153-E217 HydrophobicContact CB-CB 4.19Å; N153-E217 PolarHBondContact ND2-OE2 2.81Å; N153-E217 PolarHBondContact O-N 2.83Å; C154-E217 PolarHBondContact SG-O 3.06Å; L215-E217 WeakPolarHBondContact CD1-O 3.39Å
218P94.9Very high93.7Very high84 Ų8454.5 Ų54.555%0.54529%0.289SS..  trans-56.9141.1170.6-21.433000111C181 N182C181-P218 VanDerWaalsContact O-CA 3.27Å; C181-P218 WeakPolarHBondContact O-CA 3.49Å; N182-P218 HydrophobicContact CB-CB 4.5Å
219C93.8Very high94.3Very high5 Ų552.8 Ų52.83%0.03427%0.268CS..EExtended strand (participates in β ladder)trans-135.4154176.470.80000110.5C154 T180 C181 D247C154-C219 PolarHBondContact SG-SG 3.41Å; T180-C219 WeakPolarHBondContact CA-O 3.24Å; C181-C219 PolarHBondContact N-O 3.13Å; C181-C219 PolarHBondContact O-N 3.39Å; C219-D247 WeakPolarHBondContact CA-OD1 3.1Å; C219-D247 WeakPolarHBondContact CB-OD1 3.41Å
220S95.2Very high94.6Very high60 Ų6046.9 Ų46.942%0.4224%0.244SC..EExtended strand (participates in β ladder)trans-146.1105.1176.6-170.70000110.5I179 T180 D247I179-S220 WeakPolarHBondContact O-CA 3.38Å; T180-S220 PolarHBondContact OG1-OG 3.02Å; S220-D247 PolarHBondContact N-OD1 3.02Å
221V94Very high94.7Very high10 Ų1043.1 Ų43.16%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-132.6135.2-166.7-167.20000111.2T178 I179 F223 D247 P269T178-V221 WeakPolarHBondContact CA-O 3.3Å; I179-V221 PolarHBondContact N-O 3.36Å; I179-V221 PolarHBondContact O-N 2.98Å; V221-F223 HydrophobicContact CB-CE2 3.74Å; V221-F223 HydrophobicContact CB-CZ 3.82Å; V221-F223 HydrophobicContact CG1-CE1 4Å; V221-F223 HydrophobicContact CG1-CE2 3.75Å; V221-F223 HydrophobicContact CG1-CZ 3.4Å; V221-D247 WeakPolarHBondContact CG2-OD1 3.46Å; V221-P269 HydrophobicContact CG1-CB 3.44Å; V221-P269 VanDerWaalsContact CG1-CB 3.44Å; V221-P269 HydrophobicContact CG1-CG 4.46Å
222S94.4Very high94.8Very high5 Ų542.9 Ų42.94%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-93.5138.2179.9-68.70000111.6I177 T178 P269 K270I177-S222 CarbonylContact O-C 3.6Å; I177-S222 WeakPolarHBondContact O-CA 3.48Å; T178-S222 PolarHBondContact OG1-OG 2.64Å; S222-P269 CarbonylContact O-C 3.5Å; S222-P269 WeakPolarHBondContact O-CA 3.27Å; S222-K270 PolarHBondContact O-N 3.35Å
223F94.2Very high94.9Very high1 Ų143.7 Ų43.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-136.1153.7178.6-60.4-77.7000111.9S176 I177 I179 V221 T225 L228 L245 I251 L267 P269S176-F223 CarbonylContact C-O 3.54Å; S176-F223 WeakPolarHBondContact CA-O 3.45Å; I177-F223 PolarHBondContact N-O 3.07Å; I177-F223 PolarHBondContact O-N 3.18Å; I179-F223 HydrophobicContact CD1-CD2 3.87Å; I179-F223 HydrophobicContact CD1-CE2 4.16Å; I179-F223 HydrophobicContact CG1-CD2 4.21Å; V221-F223 HydrophobicContact CB-CE2 3.74Å; V221-F223 HydrophobicContact CB-CZ 3.82Å; V221-F223 HydrophobicContact CG1-CE1 4Å; V221-F223 HydrophobicContact CG1-CE2 3.75Å; V221-F223 HydrophobicContact CG1-CZ 3.4Å; F223-T225 PolarHBondContact O-N 2.87Å; F223-L228 HydrophobicContact CB-CD1 3.92Å; F223-L228 HydrophobicContact CB-CG 4.31Å; F223-L245 HydrophobicContact CE2-CD2 4.1Å; F223-I251 HydrophobicContact CD1-CB 4.48Å; F223-I251 HydrophobicContact CD1-CG2 3.76Å; F223-I251 HydrophobicContact CD2-CG2 4.41Å; F223-I251 HydrophobicContact CE1-CB 3.77Å; F223-I251 HydrophobicContact CE1-CG2 3.5Å; F223-I251 VanDerWaalsContact CE1-CG2 3.5Å; F223-I251 HydrophobicContact CE2-CB 4.05Å; F223-I251 HydrophobicContact CE2-CD1 4.33Å; F223-I251 HydrophobicContact CE2-CG2 4.18Å; F223-I251 HydrophobicContact CG-CG2 4.22Å; F223-I251 HydrophobicContact CZ-CB 3.53Å; F223-I251 HydrophobicContact CZ-CG2 3.73Å; F223-L267 HydrophobicContact CB-CD2 3.87Å; F223-L267 HydrophobicContact CD1-CD2 4.16Å; F223-L267 HydrophobicContact CD1-CG 4.05Å; F223-L267 WeakPolarHBondContact CE1-O 3.37Å; F223-L267 HydrophobicContact CG-CD2 4.32Å; F223-P269 HydrophobicContact CD1-CB 4.49Å; F223-P269 HydrophobicContact CE1-CB 4.04Å
224A93.3Very high95Very high19 Ų1942.6 Ų42.616%0.15722%0.215CC..EExtended strand (participates in β ladder)trans-66.1115.6174.800000112K226 Y227 L228A224-K226 PolarHBondContact O-N 3.13Å; A224-K226 VanDerWaalsContact O-N 3.13Å; A224-Y227 HydrophobicContact CB-CD2 3.72Å; A224-Y227 HydrophobicContact CB-CE2 4.36Å; A224-Y227 PolarHBondContact O-N 3.32Å; A224-Y227 VanDerWaalsContact O-N 3.1Å; A224-L228 PolarHBondContact O-N 2.99Å
225T93.7Very high95.2Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-56.3-35.7-174.8-46.60000113.4L171 G174 E175 S176 I177 F223 Y227 L228 S229L171-T225 VanDerWaalsContact CA-CG2 3.41Å; L171-T225 HydrophobicContact CB-CG2 3.77Å; L171-T225 HydrophobicContact CD1-CG2 3.82Å; L171-T225 HydrophobicContact CG-CG2 4.42Å; G174-T225 PolarHBondContact O-OG1 3.46Å; E175-T225 PolarHBondContact O-N 2.88Å; E175-T225 VanDerWaalsContact O-N 3.09Å; E175-T225 PolarHBondContact O-OG1 3.43Å; S176-T225 VanDerWaalsContact C-OG1 3.23Å; S176-T225 WeakPolarHBondContact CA-OG1 3.47Å; S176-T225 PolarHBondContact N-OG1 3.02Å; S176-T225 VanDerWaalsContact N-OG1 3.12Å; I177-T225 HydrophobicContact CD1-CG2 3.52Å; I177-T225 HydrophobicContact CG1-CG2 3.77Å; I177-T225 PolarHBondContact N-OG1 3.23Å; F223-T225 PolarHBondContact O-N 2.87Å; T225-Y227 VanDerWaalsContact C-N 3.34Å; T225-Y227 PolarHBondContact O-N 3.43Å; T225-L228 PolarHBondContact O-N 3.1Å; T225-S229 WeakPolarHBondContact O-CB 3.48Å; T225-S229 PolarHBondContact O-N 3.36Å; T225-S229 PolarHBondContact O-OG 3.28Å
226K93.5Very high95.3Very high149 Ų14940.5 Ų40.565%0.64821%0.21SC*.Hα-helixtrans-60.5-40.3-179.7-175.8179179.1-178.90112.6A224 N230A224-K226 PolarHBondContact O-N 3.13Å; A224-K226 VanDerWaalsContact O-N 3.13Å; K226-N230 PolarHBondContact O-N 3.34Å; K226-N230 VanDerWaalsContact O-N 3.13Å
227Y93.8Very high95.4Very high37 Ų3734.5 Ų34.515%0.14519%0.188CC..Hα-helixtrans-72.3-45.6179.5-74.7-85.6000111.1S61 S62 A65 A224 T225 S229 N230 F231 L267S61-Y227 PolarHBondContact O-OH 2.91Å; S62-Y227 PolarHBondContact O-OH 3.03Å; A65-Y227 HydrophobicContact CB-CD1 3.72Å; A65-Y227 HydrophobicContact CB-CE1 3.8Å; A224-Y227 HydrophobicContact CB-CD2 3.72Å; A224-Y227 HydrophobicContact CB-CE2 4.36Å; A224-Y227 PolarHBondContact O-N 3.32Å; A224-Y227 VanDerWaalsContact O-N 3.1Å; T225-Y227 VanDerWaalsContact C-N 3.34Å; T225-Y227 PolarHBondContact O-N 3.43Å; Y227-S229 VanDerWaalsContact C-N 3.26Å; Y227-S229 PolarHBondContact O-N 3.46Å; Y227-N230 WeakPolarHBondContact O-CA 3.27Å; Y227-N230 WeakPolarHBondContact O-CB 3.42Å; Y227-N230 PolarHBondContact O-N 2.86Å; Y227-F231 VanDerWaalsContact O-CD1 3.29Å; Y227-F231 WeakPolarHBondContact O-CD1 3.38Å; Y227-F231 VanDerWaalsContact O-CG 3.3Å; Y227-F231 WeakPolarHBondContact O-CG 3.43Å; Y227-F231 PolarHBondContact O-N 2.88Å; Y227-L267 HydrophobicContact CD1-CD1 4.34Å; Y227-L267 HydrophobicContact CD2-CD1 3.98Å; Y227-L267 HydrophobicContact CG-CD1 3.78Å
228L95.8Very high95.6Very high1 Ų129.4 Ų29.41%0.00517%0.166CC..Hα-helixtrans-58.3-39.9175-65.7179.8000112I177 I179 F223 A224 T225 N230 F231 A232 L267I177-L228 HydrophobicContact CB-CD1 4.22Å; I177-L228 HydrophobicContact CD1-CD1 4.16Å; I179-L228 HydrophobicContact CD1-CD1 4.17Å; F223-L228 HydrophobicContact CB-CD1 3.92Å; F223-L228 HydrophobicContact CB-CG 4.31Å; A224-L228 PolarHBondContact O-N 2.99Å; T225-L228 PolarHBondContact O-N 3.1Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.39Å; L228-F231 HydrophobicContact CD2-CD2 4.27Å; L228-F231 PolarHBondContact O-N 3.34Å; L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.11Å; L228-L267 HydrophobicContact CD2-CD2 3.84Å; L228-L267 HydrophobicContact CG-CD2 3.95Å
229S95.4Very high95.7Very high18 Ų1830.7 Ų30.713%0.12617%0.174CC..Hα-helixtrans-64.2-33.9174.8-61.20000113.1C167 T225 Y227C167-S229 PolarHBondContact O-OG 2.87Å; T225-S229 WeakPolarHBondContact O-CB 3.48Å; T225-S229 PolarHBondContact O-N 3.36Å; T225-S229 PolarHBondContact O-OG 3.28Å; Y227-S229 VanDerWaalsContact C-N 3.26Å; Y227-S229 PolarHBondContact O-N 3.46Å
230N94.8Very high95.9Very high25 Ų2533 Ų3313%0.13419%0.188CC..Hα-helixtrans-72.5-41.8173-77.7-23.6000111.7L22 K226 Y227 L228 A232 K233L22-N230 HydrophobicContact CD2-CB 3.69Å; L22-N230 HydrophobicContact CG-CB 4.18Å; K226-N230 PolarHBondContact O-N 3.34Å; K226-N230 VanDerWaalsContact O-N 3.13Å; Y227-N230 WeakPolarHBondContact O-CA 3.27Å; Y227-N230 WeakPolarHBondContact O-CB 3.42Å; Y227-N230 PolarHBondContact O-N 2.86Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.39Å; N230-A232 VanDerWaalsContact C-N 3.27Å; N230-A232 PolarHBondContact O-N 3.39Å; N230-K233 VanDerWaalsContact O-CB 3.3Å; N230-K233 WeakPolarHBondContact O-CB 3.49Å; N230-K233 PolarHBondContact O-N 2.81Å; N230-K233 VanDerWaalsContact O-N 3.13Å; N230-K233 PolarHBondContact OD1-NZ 3.44Å
231F97Very high96Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-61.7-38.1176.5-59.7-10.8000111.5L22 A65 Y227 L228 K233 A234 V253 Y265 L267L22-F231 HydrophobicContact CD1-CD1 3.86Å; L22-F231 HydrophobicContact CD1-CE1 4.02Å; L22-F231 HydrophobicContact CD2-CD1 4.28Å; L22-F231 HydrophobicContact CD2-CE1 4Å; A65-F231 HydrophobicContact CB-CE1 4.36Å; A65-F231 HydrophobicContact CB-CZ 4Å; Y227-F231 VanDerWaalsContact O-CD1 3.29Å; Y227-F231 WeakPolarHBondContact O-CD1 3.38Å; Y227-F231 VanDerWaalsContact O-CG 3.3Å; Y227-F231 WeakPolarHBondContact O-CG 3.43Å; Y227-F231 PolarHBondContact O-N 2.88Å; L228-F231 HydrophobicContact CD2-CD2 4.27Å; L228-F231 PolarHBondContact O-N 3.34Å; F231-K233 PolarHBondContact O-N 2.89Å; F231-A234 VanDerWaalsContact O-CB 3.27Å; F231-A234 WeakPolarHBondContact O-CB 3.29Å; F231-A234 PolarHBondContact O-N 3.47Å; F231-V253 HydrophobicContact CD2-CB 4.39Å; F231-V253 HydrophobicContact CD2-CG2 4.11Å; F231-Y265 HydrophobicContact CB-CD1 4.45Å; F231-Y265 HydrophobicContact CB-CD2 3.78Å; F231-Y265 HydrophobicContact CB-CE2 4.13Å; F231-Y265 HydrophobicContact CB-CG 3.94Å; F231-Y265 AromaticContact CD1-CD1 3.34Å; F231-Y265 HydrophobicContact CD1-CD1 3.34Å; F231-Y265 HydrophobicContact CD1-CD2 4.21Å; F231-Y265 AromaticContact CD1-CE1 3.92Å; F231-Y265 HydrophobicContact CD1-CE1 3.92Å; F231-Y265 AromaticContact CD1-CG 3.5Å; F231-Y265 HydrophobicContact CD1-CG 3.5Å; F231-Y265 VanDerWaalsContact CD1-CG 3.5Å; F231-Y265 VanDerWaalsContact CD2-CB 3.41Å; F231-Y265 HydrophobicContact CD2-CD2 4.43Å; F231-Y265 AromaticContact CD2-CG 3.93Å; F231-Y265 HydrophobicContact CD2-CG 3.93Å; F231-Y265 AromaticContact CE1-CD1 3.61Å; F231-Y265 HydrophobicContact CE1-CD1 3.61Å; F231-Y265 HydrophobicContact CE1-CE1 4.45Å; F231-Y265 AromaticContact CE1-CG 3.92Å; F231-Y265 HydrophobicContact CE1-CG 3.92Å; F231-Y265 VanDerWaalsContact CE2-CB 3.43Å; F231-Y265 HydrophobicContact CE2-CG 4.28Å; F231-Y265 AromaticContact CG-CD1 3.89Å; F231-Y265 HydrophobicContact CG-CD1 3.89Å; F231-Y265 AromaticContact CG-CD2 3.91Å; F231-Y265 HydrophobicContact CG-CD2 3.91Å; F231-Y265 AromaticContact CG-CG 3.52Å; F231-Y265 HydrophobicContact CG-CG 3.52Å; F231-Y265 HydrophobicContact CZ-CD1 4.33Å; F231-Y265 HydrophobicContact CZ-CG 4.29Å; F231-L267 HydrophobicContact CE2-CB 3.66Å; F231-L267 HydrophobicContact CE2-CD2 4.21Å; F231-L267 HydrophobicContact CZ-CB 4.01Å
232A97.9Very high96.2Very high3 Ų332.5 Ų32.53%0.02518%0.179CC..G310 helixtrans-58.8-13.7175.500000115F163 S164 C167 L228 N230 A234 A235F163-A232 HydrophobicContact CD1-CB 4.28Å; F163-A232 HydrophobicContact CE1-CB 4.21Å; S164-A232 PolarHBondContact OG-O 3.42Å; C167-A232 HydrophobicContact CB-CB 4.2Å; L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.11Å; N230-A232 VanDerWaalsContact C-N 3.27Å; N230-A232 PolarHBondContact O-N 3.39Å; A232-A234 PolarHBondContact O-N 2.97Å; A232-A235 VanDerWaalsContact O-CB 3.28Å; A232-A235 WeakPolarHBondContact O-CB 3.42Å; A232-A235 PolarHBondContact O-N 3.35Å
233K97.4Very high96.4Very high81 Ų8132.3 Ų32.335%0.35218%0.177SC..G310 helixtrans-69-16.3172.2-67172178.3162.20112.8D21 N230 F231 A235 P236D21-K233 WeakPolarHBondContact OD2-CE 3.35Å; D21-K233 IonicContact OD2-NZ 2.74Å; D21-K233 PolarHBondContact OD2-NZ 3Å; N230-K233 VanDerWaalsContact O-CB 3.3Å; N230-K233 WeakPolarHBondContact O-CB 3.49Å; N230-K233 PolarHBondContact O-N 2.81Å; N230-K233 VanDerWaalsContact O-N 3.13Å; N230-K233 PolarHBondContact OD1-NZ 3.44Å; F231-K233 PolarHBondContact O-N 2.89Å; K233-A235 PolarHBondContact O-N 3.28Å; K233-P236 WeakPolarHBondContact O-CD 3.33Å
234A98Very high96.6Very high0 Ų032.7 Ų32.70%018%0.18CC..G310 helixtrans-72.2-9.2170.800000113.9A18 F231 A232 P236 L237 F255 I263 Y265A18-A234 HydrophobicContact CB-CB 3.86Å; F231-A234 VanDerWaalsContact O-CB 3.27Å; F231-A234 WeakPolarHBondContact O-CB 3.29Å; F231-A234 PolarHBondContact O-N 3.47Å; A232-A234 PolarHBondContact O-N 2.97Å; A234-P236 VanDerWaalsContact C-N 3.27Å; A234-P236 VanDerWaalsContact O-N 3.07Å; A234-L237 HydrophobicContact CB-CD1 4.05Å; A234-L237 VanDerWaalsContact O-CB 3.23Å; A234-L237 WeakPolarHBondContact O-CB 3.43Å; A234-L237 PolarHBondContact O-N 2.92Å; A234-F255 HydrophobicContact CB-CB 4.38Å; A234-F255 HydrophobicContact CB-CD1 4.14Å; A234-F255 HydrophobicContact CB-CD2 3.44Å; A234-F255 VanDerWaalsContact CB-CD2 3.44Å; A234-F255 HydrophobicContact CB-CE1 4.26Å; A234-F255 HydrophobicContact CB-CE2 3.59Å; A234-F255 HydrophobicContact CB-CG 3.74Å; A234-F255 HydrophobicContact CB-CZ 4Å; A234-I263 HydrophobicContact CB-CG2 4.17Å; A234-Y265 HydrophobicContact CB-CE2 3.85Å
235A98.1Very high96.6Very high16 Ų1631.8 Ų31.813%0.13217%0.172CC..G310 helixtrans-50-35.2-176.700000115.6A232 K233 L237 S238 F255A232-A235 VanDerWaalsContact O-CB 3.28Å; A232-A235 WeakPolarHBondContact O-CB 3.42Å; A232-A235 PolarHBondContact O-N 3.35Å; K233-A235 PolarHBondContact O-N 3.28Å; A235-L237 PolarHBondContact O-N 2.85Å; A235-S238 PolarHBondContact O-N 2.83Å; A235-F255 HydrophobicContact CB-CE1 4.41Å
236P97.4Very high96.6Very high78 Ų7832.1 Ų32.151%0.50618%0.175SC..G310 helixtrans-68.3-10.3175.5-23.136.4000115.9K14 K233 A234K14-P236 HydrophobicContact CD-CB 4.29Å; K14-P236 WeakPolarHBondContact CD-O 3.49Å; K14-P236 WeakPolarHBondContact CE-O 3.47Å; K14-P236 HydrophobicContact CG-CB 4.25Å; K14-P236 PolarHBondContact NZ-O 2.98Å; K233-P236 WeakPolarHBondContact O-CD 3.33Å; A234-P236 VanDerWaalsContact C-N 3.27Å; A234-P236 VanDerWaalsContact O-N 3.07Å
237L97.3Very high96.4Very high16 Ų1628.4 Ų28.48%0.08416%0.162CC..G310 helixtrans-78.4-32.6177.8-69.1167.3000112.6K14 I15 A18 A234 A235 I257 I263K14-L237 HydrophobicContact CB-CD2 3.41Å; K14-L237 VanDerWaalsContact CB-CD2 3.41Å; K14-L237 HydrophobicContact CB-CG 3.99Å; K14-L237 HydrophobicContact CD-CD2 4.26Å; I15-L237 HydrophobicContact CG1-CD1 4.38Å; I15-L237 HydrophobicContact CG1-CD2 3.84Å; A18-L237 HydrophobicContact CB-CD1 4.11Å; A234-L237 HydrophobicContact CB-CD1 4.05Å; A234-L237 VanDerWaalsContact O-CB 3.23Å; A234-L237 WeakPolarHBondContact O-CB 3.43Å; A234-L237 PolarHBondContact O-N 2.92Å; A235-L237 PolarHBondContact O-N 2.85Å; L237-I257 HydrophobicContact CB-CG1 4.49Å; L237-I257 HydrophobicContact CD1-CG1 4.42Å; L237-I257 HydrophobicContact CD2-CG1 4.34Å; L237-I257 HydrophobicContact CD2-CG2 4.46Å; L237-I263 HydrophobicContact CD1-CG2 3.69Å
238S97.5Very high95.8Very high10 Ų1033.8 Ų33.87%0.0719%0.193CC..  trans-141.9137.4-173.4-173.50000110.9S160 A235 T240 K256S160-S238 WeakPolarHBondContact CB-O 3.35Å; S160-S238 PolarHBondContact OG-O 2.79Å; A235-S238 PolarHBondContact O-N 2.83Å; S238-T240 WeakPolarHBondContact CB-O 3.32Å; S238-T240 PolarHBondContact O-N 3.12Å; S238-T240 PolarHBondContact OG-N 2.89Å; S238-T240 PolarHBondContact OG-O 3.43Å; S238-K256 VanDerWaalsContact CB-O 3.26Å; S238-K256 WeakPolarHBondContact CB-O 3.39Å
239P96.9Very high95.5Very high111 Ų11135.8 Ų35.872%0.72120%0.203SC*.SBendtrans-61.5-27.4171.927.1-34.4000112.5P159 S160P159-P239 WeakPolarHBondContact CA-O 3.39Å; S160-P239 PolarHBondContact N-O 2.87Å
240T97.8Very high95.3Very high53 Ų5335 Ų3533%0.32520%0.198SC..EExtended strand (participates in β ladder)trans-123.8149.8-178.660.70000112.3T157 L158 S160 S238T157-T240 HydrophobicContact CG2-CG2 4.37Å; L158-T240 CarbonylContact O-C 3.56Å; L158-T240 WeakPolarHBondContact O-CA 3.5Å; S160-T240 WeakPolarHBondContact OG-CA 3.5Å; S160-T240 PolarHBondContact OG-N 2.91Å; S160-T240 PolarHBondContact OG-O 3.5Å; S238-T240 WeakPolarHBondContact CB-O 3.32Å; S238-T240 PolarHBondContact O-N 3.12Å; S238-T240 PolarHBondContact OG-N 2.89Å; S238-T240 PolarHBondContact OG-O 3.43Å
241V98.5Very high95.3Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-117.4141.1171.262.10000109.1T157 L158 S160 F163 L243 V253 E254 F255T157-V241 WeakPolarHBondContact CA-O 3.37Å; L158-V241 HydrophobicContact CD2-CG1 3.92Å; L158-V241 HydrophobicContact CG-CG1 3.83Å; L158-V241 PolarHBondContact N-O 3.18Å; L158-V241 PolarHBondContact O-N 3.2Å; S160-V241 PolarHBondContact OG-N 3.02Å; F163-V241 HydrophobicContact CB-CG1 3.64Å; F163-V241 HydrophobicContact CD1-CG1 4.08Å; F163-V241 HydrophobicContact CD1-CG2 4.35Å; F163-V241 HydrophobicContact CG-CG1 3.89Å; V241-L243 HydrophobicContact CG2-CD2 4.01Å; V241-V253 HydrophobicContact CG2-CG1 3.59Å; V241-E254 WeakPolarHBondContact CA-O 3.47Å; V241-F255 HydrophobicContact CB-CD1 3.95Å; V241-F255 HydrophobicContact CB-CE1 3.55Å; V241-F255 HydrophobicContact CB-CZ 3.91Å; V241-F255 HydrophobicContact CG2-CD1 4.05Å; V241-F255 HydrophobicContact CG2-CD2 4.16Å; V241-F255 HydrophobicContact CG2-CE1 3.61Å; V241-F255 HydrophobicContact CG2-CE2 3.74Å; V241-F255 HydrophobicContact CG2-CG 4.31Å; V241-F255 HydrophobicContact CG2-CZ 3.44Å; V241-F255 VanDerWaalsContact CG2-CZ 3.44Å
242Q98.3Very high95.2Very high60 Ų6034.3 Ų34.328%0.2820%0.195SC..EExtended strand (participates in β ladder)trans-105.9126.2171.5-179.3179.79400109.8V155 V156 V253 E254V155-Q242 VanDerWaalsContact CG1-CD 3.45Å; V155-Q242 HydrophobicContact CG1-CG 3.56Å; V156-Q242 CarbonylContact O-C 3.59Å; V156-Q242 WeakPolarHBondContact O-CA 3.27Å; Q242-V253 WeakPolarHBondContact O-CA 3.49Å; Q242-E254 HydrophobicContact CB-CB 4.34Å; Q242-E254 PolarHBondContact N-O 3.32Å; Q242-E254 PolarHBondContact O-N 2.83Å
243L98.1Very high95.2Very high0 Ų034.1 Ų34.10%019%0.194CC..EExtended strand (participates in β ladder)trans-107.2119.6173.9-51.7-178.1000108.2V155 V156 L158 F163 I186 F188 V241 L245 I251 A252 V253V155-L243 CarbonylContact C-O 3.28Å; V155-L243 WeakPolarHBondContact CA-O 3.4Å; V156-L243 PolarHBondContact N-O 3.13Å; V156-L243 PolarHBondContact O-N 2.83Å; L158-L243 HydrophobicContact CD2-CD1 3.7Å; L158-L243 HydrophobicContact CD2-CG 3.87Å; F163-L243 HydrophobicContact CD2-CD1 4.09Å; F163-L243 HydrophobicContact CD2-CD2 4.39Å; F163-L243 HydrophobicContact CE1-CD2 4.49Å; F163-L243 HydrophobicContact CE2-CD1 3.93Å; F163-L243 HydrophobicContact CE2-CD2 3.93Å; F163-L243 HydrophobicContact CZ-CD2 3.98Å; I186-L243 HydrophobicContact CD1-CD1 4Å; F188-L243 HydrophobicContact CE1-CD1 4.13Å; F188-L243 HydrophobicContact CZ-CD1 3.93Å; V241-L243 HydrophobicContact CG2-CD2 4.01Å; L243-L245 HydrophobicContact CB-CD1 3.93Å; L243-I251 HydrophobicContact CB-CD1 4.46Å; L243-I251 HydrophobicContact CD2-CD1 4.44Å; L243-A252 CarbonylContact C-O 3.59Å; L243-A252 WeakPolarHBondContact CA-O 3.41Å; L243-V253 HydrophobicContact CD2-CB 4.22Å; L243-V253 HydrophobicContact CD2-CG1 3.8Å; L243-V253 HydrophobicContact CD2-CG2 3.84Å
244S97.3Very high95.2Very high9 Ų931.4 Ų31.46%0.06318%0.182CC..EExtended strand (participates in β ladder)trans-111.7121.9174.2-44.40000109.3Y152 C154 I251 A252Y152-S244 VanDerWaalsContact CG-CB 3.45Å; C154-S244 CarbonylContact O-C 3.47Å; C154-S244 WeakPolarHBondContact O-CA 3.43Å; S244-I251 WeakPolarHBondContact O-CA 3.4Å; S244-A252 PolarHBondContact N-O 3.42Å; S244-A252 PolarHBondContact O-N 2.77Å
245L95.2Very high95.3Very high1 Ų131.4 Ų31.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-132.5142.5-170.2-48.2105.3000111.1N153 C154 V156 I179 F223 L243 I251N153-L245 PolarHBondContact N-O 2.85Å; N153-L245 VanDerWaalsContact N-O 3.09Å; C154-L245 HydrophobicContact CB-CB 4.44Å; C154-L245 HydrophobicContact CB-CD1 4.35Å; C154-L245 PolarHBondContact N-O 2.86Å; C154-L245 PolarHBondContact O-N 2.85Å; V156-L245 HydrophobicContact CG2-CD1 4.37Å; I179-L245 HydrophobicContact CB-CD2 4Å; I179-L245 HydrophobicContact CD1-CD2 4.13Å; I179-L245 HydrophobicContact CG2-CD2 3.7Å; F223-L245 HydrophobicContact CE2-CD2 4.1Å; L243-L245 HydrophobicContact CB-CD1 3.93Å; L245-I251 HydrophobicContact CD2-CD1 3.57Å; L245-I251 HydrophobicContact CD2-CG1 4.02Å; L245-I251 HydrophobicContact CG-CD1 4.02Å; L245-I251 HydrophobicContact CG-CG1 4.04Å
246S92.9Very high95.2Very high7 Ų736.3 Ų36.35%0.04920%0.2CC..  trans-143.9154.1164.3-68.10000107.7Y152 N153 M249Y152-S246 WeakPolarHBondContact CA-OG 3.32Å; N153-S246 PolarHBondContact N-OG 2.89Å; N153-S246 PolarHBondContact OD1-OG 2.82Å; S246-M249 PolarHBondContact O-N 2.93Å
247D88.5Confident95.2Very high70 Ų7032.7 Ų32.737%0.37418%0.177SC..THydrogen-bonded Turntrans-58.8145.1167.8-60.5-35000109.3C219 S220 V221 M249C219-D247 WeakPolarHBondContact CA-OD1 3.1Å; C219-D247 WeakPolarHBondContact CB-OD1 3.41Å; S220-D247 PolarHBondContact N-OD1 3.02Å; V221-D247 WeakPolarHBondContact CG2-OD1 3.46Å; D247-M249 PolarHBondContact O-N 2.85Å
248D82.8Confident94.9Very high151 Ų15137.8 Ų37.881%0.80720%0.2SC*.THydrogen-bonded Turntrans609.4179.1-53.8-40.7000117.2
249M87.6Confident94.6Very high43 Ų4342.4 Ų42.421%0.21223%0.233CC..SBendtrans-117.8151.9178.2-65.5-68.2-74.600111.9T150 S246 D247 I251T150-M249 HydrophobicContact CG2-CE 3.57Å; S246-M249 PolarHBondContact O-N 2.93Å; D247-M249 PolarHBondContact O-N 2.85Å; M249-I251 PolarHBondContact O-N 3.21Å
250P91.5Very high94.5Very high2 Ų237.5 Ų37.51%0.01320%0.2CC..PPolyproline II helixtrans-58.8133.3169.7-23.634.2000111.9A46 F47 Y152 A252 L267A46-P250 HydrophobicContact CB-CG 3.84Å; F47-P250 HydrophobicContact CZ-CB 4.41Å; F47-P250 HydrophobicContact CZ-CG 4.33Å; Y152-P250 WeakPolarHBondContact CE1-O 3.49Å; Y152-P250 PolarHBondContact OH-O 3Å; P250-A252 PolarHBondContact O-N 2.95Å; P250-L267 CarbonylContact C-O 3.58Å; P250-L267 WeakPolarHBondContact CA-O 3.31Å
251I95Very high94.5Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-63.3134.3169-178.1173000109.1I179 F223 L243 S244 L245 M249 V253 Y266 L267I179-I251 HydrophobicContact CD1-CD1 3.9Å; F223-I251 HydrophobicContact CD1-CB 4.48Å; F223-I251 HydrophobicContact CD1-CG2 3.76Å; F223-I251 HydrophobicContact CD2-CG2 4.41Å; F223-I251 HydrophobicContact CE1-CB 3.77Å; F223-I251 HydrophobicContact CE1-CG2 3.5Å; F223-I251 VanDerWaalsContact CE1-CG2 3.5Å; F223-I251 HydrophobicContact CE2-CB 4.05Å; F223-I251 HydrophobicContact CE2-CD1 4.33Å; F223-I251 HydrophobicContact CE2-CG2 4.18Å; F223-I251 HydrophobicContact CG-CG2 4.22Å; F223-I251 HydrophobicContact CZ-CB 3.53Å; F223-I251 HydrophobicContact CZ-CG2 3.73Å; L243-I251 HydrophobicContact CB-CD1 4.46Å; L243-I251 HydrophobicContact CD2-CD1 4.44Å; S244-I251 WeakPolarHBondContact O-CA 3.4Å; L245-I251 HydrophobicContact CD2-CD1 3.57Å; L245-I251 HydrophobicContact CD2-CG1 4.02Å; L245-I251 HydrophobicContact CG-CD1 4.02Å; L245-I251 HydrophobicContact CG-CG1 4.04Å; M249-I251 PolarHBondContact O-N 3.21Å; I251-V253 HydrophobicContact CD1-CG2 3.96Å; I251-V253 HydrophobicContact CG1-CG2 3.98Å; I251-Y266 VanDerWaalsContact O-CA 3.25Å; I251-Y266 WeakPolarHBondContact O-CA 3.45Å; I251-L267 HydrophobicContact CG2-CB 3.82Å; I251-L267 PolarHBondContact N-O 2.65Å; I251-L267 PolarHBondContact O-N 3.09Å
252A95.6Very high94.4Very high9 Ų938 Ų387%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-99.1122166.700000110Y152 L243 S244 P250 Y265 Y266Y152-A252 HydrophobicContact CE2-CB 4.16Å; L243-A252 CarbonylContact C-O 3.59Å; L243-A252 WeakPolarHBondContact CA-O 3.41Å; S244-A252 PolarHBondContact N-O 3.42Å; S244-A252 PolarHBondContact O-N 2.77Å; P250-A252 PolarHBondContact O-N 2.95Å; A252-Y265 CarbonylContact C-O 3.07Å; A252-Y265 WeakPolarHBondContact CA-O 3.27Å; A252-Y266 HydrophobicContact CB-CD1 3.83Å; A252-Y266 HydrophobicContact CB-CE1 3.57Å
253V97.8Very high94.4Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.7107.9176.1-176.30000108.4F163 F231 V241 Q242 L243 I251 F255 R264 Y265F163-V253 HydrophobicContact CE1-CG1 4.1Å; F163-V253 HydrophobicContact CZ-CG1 4.4Å; F231-V253 HydrophobicContact CD2-CB 4.39Å; F231-V253 HydrophobicContact CD2-CG2 4.11Å; V241-V253 HydrophobicContact CG2-CG1 3.59Å; Q242-V253 WeakPolarHBondContact O-CA 3.49Å; L243-V253 HydrophobicContact CD2-CB 4.22Å; L243-V253 HydrophobicContact CD2-CG1 3.8Å; L243-V253 HydrophobicContact CD2-CG2 3.84Å; I251-V253 HydrophobicContact CD1-CG2 3.96Å; I251-V253 HydrophobicContact CG1-CG2 3.98Å; V253-F255 HydrophobicContact CG1-CD2 4.32Å; V253-F255 HydrophobicContact CG1-CE2 3.59Å; V253-F255 HydrophobicContact CG1-CZ 4.22Å; V253-R264 CarbonylContact O-C 3.58Å; V253-R264 WeakPolarHBondContact O-CA 3.3Å; V253-Y265 HydrophobicContact CB-CD2 4.47Å; V253-Y265 PolarHBondContact N-O 2.85Å; V253-Y265 PolarHBondContact O-N 2.54Å
254E98.2Very high94.3Very high24 Ų2438.6 Ų38.611%0.11220%0.2CC..EExtended strand (participates in β ladder)trans-107.4129.5-177.7-176.3-178.5112.400111.6V241 Q242 I263 R264V241-E254 WeakPolarHBondContact CA-O 3.47Å; Q242-E254 HydrophobicContact CB-CB 4.34Å; Q242-E254 PolarHBondContact N-O 3.32Å; Q242-E254 PolarHBondContact O-N 2.83Å; E254-I263 WeakPolarHBondContact CA-O 3.49Å; E254-R264 HydrophobicContact CB-CG 4Å; E254-R264 HydrophobicContact CG-CG 3.87Å; E254-R264 IonicContact OE2-CZ 3.34Å; E254-R264 IonicContact OE2-NE 3.76Å; E254-R264 PolarHBondContact OE2-NE 2.69Å; E254-R264 IonicContact OE2-NH2 3.28Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å
255F98.6Very high94.2Very high0 Ų038.2 Ų38.20%020%0.197CC..EExtended strand (participates in β ladder)trans-115.8125.1162.8-58.5-99.8000108.5F163 A234 A235 V241 V253 Y262 I263 Y265F163-F255 HydrophobicContact CD1-CZ 4.17Å; F163-F255 HydrophobicContact CE1-CZ 4.36Å; A234-F255 HydrophobicContact CB-CB 4.38Å; A234-F255 HydrophobicContact CB-CD1 4.14Å; A234-F255 HydrophobicContact CB-CD2 3.44Å; A234-F255 VanDerWaalsContact CB-CD2 3.44Å; A234-F255 HydrophobicContact CB-CE1 4.26Å; A234-F255 HydrophobicContact CB-CE2 3.59Å; A234-F255 HydrophobicContact CB-CG 3.74Å; A234-F255 HydrophobicContact CB-CZ 4Å; A235-F255 HydrophobicContact CB-CE1 4.41Å; V241-F255 HydrophobicContact CB-CD1 3.95Å; V241-F255 HydrophobicContact CB-CE1 3.55Å; V241-F255 HydrophobicContact CB-CZ 3.91Å; V241-F255 HydrophobicContact CG2-CD1 4.05Å; V241-F255 HydrophobicContact CG2-CD2 4.16Å; V241-F255 HydrophobicContact CG2-CE1 3.61Å; V241-F255 HydrophobicContact CG2-CE2 3.74Å; V241-F255 HydrophobicContact CG2-CG 4.31Å; V241-F255 HydrophobicContact CG2-CZ 3.44Å; V241-F255 VanDerWaalsContact CG2-CZ 3.44Å; V253-F255 HydrophobicContact CG1-CD2 4.32Å; V253-F255 HydrophobicContact CG1-CE2 3.59Å; V253-F255 HydrophobicContact CG1-CZ 4.22Å; F255-Y262 CarbonylContact O-C 3.58Å; F255-Y262 WeakPolarHBondContact O-CA 3.43Å; F255-I263 HydrophobicContact CB-CG2 3.78Å; F255-I263 HydrophobicContact CD2-CG2 4.31Å; F255-I263 HydrophobicContact CG-CG2 4.46Å; F255-I263 PolarHBondContact N-O 2.99Å; F255-I263 PolarHBondContact O-N 3.26Å; F255-Y265 HydrophobicContact CD2-CD2 4.35Å; F255-Y265 HydrophobicContact CD2-CE2 4.03Å; F255-Y265 HydrophobicContact CE2-CD2 4.28Å; F255-Y265 HydrophobicContact CE2-CE2 4.07Å
256K97.7Very high94.1Very high118 Ų11838.6 Ų38.651%0.51320%0.198SC..EExtended strand (participates in β ladder)trans-72.2147.8172-66.3-177.7-179.6176.80109.9S238S238-K256 VanDerWaalsContact CB-O 3.26Å; S238-K256 WeakPolarHBondContact CB-O 3.39Å
257I96.6Very high94.1Very high2 Ų238.3 Ų38.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-112.591.2175.9-56.6174000105.9I11 I15 L69 L71 L237 S259 I260 G261 I263I11-I257 HydrophobicContact CG2-CG2 3.76Å; I15-I257 HydrophobicContact CD1-CD1 3.93Å; I15-I257 HydrophobicContact CG1-CD1 3.99Å; L69-I257 HydrophobicContact CD1-CD1 3.47Å; L69-I257 VanDerWaalsContact CD1-CD1 3.47Å; L71-I257 HydrophobicContact CD2-CB 4.46Å; L71-I257 HydrophobicContact CD2-CD1 3.84Å; L71-I257 HydrophobicContact CD2-CG2 4.25Å; L237-I257 HydrophobicContact CB-CG1 4.49Å; L237-I257 HydrophobicContact CD1-CG1 4.42Å; L237-I257 HydrophobicContact CD2-CG1 4.34Å; L237-I257 HydrophobicContact CD2-CG2 4.46Å; I257-S259 PolarHBondContact O-N 3.41Å; I257-I260 HydrophobicContact CB-CG1 4.28Å; I257-I260 HydrophobicContact CG2-CD1 4Å; I257-I260 HydrophobicContact CG2-CG1 3.79Å; I257-I260 WeakPolarHBondContact O-CG1 3.44Å; I257-I260 PolarHBondContact O-N 3.07Å; I257-G261 PolarHBondContact N-O 2.93Å; I257-G261 PolarHBondContact O-N 3.15Å; I257-G261 VanDerWaalsContact O-N 3.14Å; I257-I263 HydrophobicContact CD1-CB 4.37Å
258E91.5Very high94.2Very high123 Ų12335.8 Ų35.858%0.57519%0.185SC*.THydrogen-bonded Turntrans46.3-131.7-175.2-60179.7-171.300110.9
259S90.8Very high94.6Very high107 Ų10730.3 Ų30.375%0.74816%0.158SC*.THydrogen-bonded Turntrans-95.63.1170.158.60000113.3I257I257-S259 PolarHBondContact O-N 3.41Å
260I94.7Very high94.6Very high8 Ų831.9 Ų31.94%0.04116%0.164CC..THydrogen-bonded Turntrans-96.2-15.9-168.372.5165.6000112.8L6 I11 L71 N72 G75 I257L6-I260 HydrophobicContact CD2-CD1 3.95Å; I11-I260 HydrophobicContact CD1-CD1 4.1Å; I11-I260 HydrophobicContact CG2-CD1 4.04Å; L71-I260 CarbonylContact C-O 3.56Å; L71-I260 WeakPolarHBondContact CA-O 3.5Å; L71-I260 HydrophobicContact CD2-CD1 3.88Å; L71-I260 HydrophobicContact CD2-CG1 4.07Å; N72-I260 PolarHBondContact N-O 2.9Å; G75-I260 WeakPolarHBondContact O-CG2 3.36Å; I257-I260 HydrophobicContact CB-CG1 4.28Å; I257-I260 HydrophobicContact CG2-CD1 4Å; I257-I260 HydrophobicContact CG2-CG1 3.79Å; I257-I260 WeakPolarHBondContact O-CG1 3.44Å; I257-I260 PolarHBondContact O-N 3.07Å
261G96.8Very high93.8Very high11 Ų1136.8 Ų36.811%0.11319%0.188CC..EExtended strand (participates in β ladder)trans168.6-154.8-175.400000115.8K70 I257K70-G261 CarbonylContact O-C 3.55Å; K70-G261 WeakPolarHBondContact O-CA 3.38Å; I257-G261 PolarHBondContact N-O 2.93Å; I257-G261 PolarHBondContact O-N 3.15Å; I257-G261 VanDerWaalsContact O-N 3.14Å
262Y97.5Very high92.3Very high53 Ų5341.6 Ų41.621%0.20821%0.214CC..EExtended strand (participates in β ladder)trans-153.5159.217959-104.1000112K70 F255 R264K70-Y262 HydrophobicContact CB-CD1 4.46Å; K70-Y262 HydrophobicContact CB-CD2 4.34Å; K70-Y262 HydrophobicContact CB-CE1 3.97Å; K70-Y262 HydrophobicContact CB-CE2 3.83Å; K70-Y262 HydrophobicContact CD-CE1 3.89Å; K70-Y262 WeakPolarHBondContact CD-OH 3.24Å; K70-Y262 HydrophobicContact CG-CE1 4.47Å; K70-Y262 PolarHBondContact N-O 3.29Å; K70-Y262 PolarHBondContact O-N 3.12Å; F255-Y262 CarbonylContact O-C 3.58Å; F255-Y262 WeakPolarHBondContact O-CA 3.43Å; Y262-R264 HydrophobicContact CD2-CB 4.4Å; Y262-R264 HydrophobicContact CD2-CG 3.67Å; Y262-R264 HydrophobicContact CE2-CG 4.02Å; Y262-R264 HydrophobicContact CG-CG 4.47Å
263I97.2Very high90.2Very high0 Ų050.4 Ų50.40%025%0.254CS..EExtended strand (participates in β ladder)trans-117.5128157.8-173.7161.1000109A18 I19 V67 L69 A234 L237 E254 F255 I257 Y265A18-I263 HydrophobicContact CB-CD1 4.38Å; I19-I263 HydrophobicContact CG2-CD1 3.54Å; V67-I263 HydrophobicContact CG1-CD1 4.07Å; V67-I263 HydrophobicContact CG1-CG1 4.23Å; L69-I263 HydrophobicContact CD1-CB 4.06Å; A234-I263 HydrophobicContact CB-CG2 4.17Å; L237-I263 HydrophobicContact CD1-CG2 3.69Å; E254-I263 WeakPolarHBondContact CA-O 3.49Å; F255-I263 HydrophobicContact CB-CG2 3.78Å; F255-I263 HydrophobicContact CD2-CG2 4.31Å; F255-I263 HydrophobicContact CG-CG2 4.46Å; F255-I263 PolarHBondContact N-O 2.99Å; F255-I263 PolarHBondContact O-N 3.26Å; I257-I263 HydrophobicContact CD1-CB 4.37Å; I263-Y265 HydrophobicContact CD1-CE1 4Å; I263-Y265 HydrophobicContact CD1-CE2 4.13Å; I263-Y265 WeakPolarHBondContact CD1-OH 3.29Å; I263-Y265 HydrophobicContact CG1-CE1 4.21Å; I263-Y265 HydrophobicContact CG1-CE2 3.9Å; I263-Y265 HydrophobicContact CG2-CE2 4.25Å
264R96.2Very high87.8Confident73 Ų7356.1 Ų56.128%0.27528%0.284SS..EExtended strand (participates in β ladder)trans-117.7135.4176.7-71.9173.5-172.6167.8-0.7109.6A68 V253 E254 Y262 Y266A68-R264 HydrophobicContact CB-CB 4.35Å; A68-R264 PolarHBondContact N-O 2.93Å; A68-R264 PolarHBondContact O-N 2.96Å; V253-R264 CarbonylContact O-C 3.58Å; V253-R264 WeakPolarHBondContact O-CA 3.3Å; E254-R264 HydrophobicContact CB-CG 4Å; E254-R264 HydrophobicContact CG-CG 3.87Å; E254-R264 IonicContact OE2-CZ 3.34Å; E254-R264 IonicContact OE2-NE 3.76Å; E254-R264 PolarHBondContact OE2-NE 2.69Å; E254-R264 IonicContact OE2-NH2 3.28Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å; Y262-R264 HydrophobicContact CD2-CB 4.4Å; Y262-R264 HydrophobicContact CD2-CG 3.67Å; Y262-R264 HydrophobicContact CE2-CG 4.02Å; Y262-R264 HydrophobicContact CG-CG 4.47Å; R264-Y266 HydrophobicContact CB-CE2 3.9Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å
265Y95.3Very high85.2Confident0 Ų060.2 Ų60.20%031%0.313CS..EExtended strand (participates in β ladder)trans-115140.7171.1-54.7-83.6000109.8A18 L22 L66 V67 F231 A234 A252 V253 F255 I263A18-Y265 WeakPolarHBondContact CB-OH 3.2Å; A18-Y265 PolarHBondContact O-OH 2.89Å; L22-Y265 HydrophobicContact CD1-CD1 3.88Å; L22-Y265 HydrophobicContact CD1-CE1 3.39Å; L66-Y265 CarbonylContact O-C 3.53Å; L66-Y265 WeakPolarHBondContact O-CA 3.26Å; V67-Y265 HydrophobicContact CB-CD1 4.4Å; V67-Y265 HydrophobicContact CB-CE1 4.48Å; V67-Y265 HydrophobicContact CG1-CD1 4.13Å; V67-Y265 HydrophobicContact CG1-CE1 3.85Å; V67-Y265 HydrophobicContact CG2-CD1 3.9Å; V67-Y265 HydrophobicContact CG2-CE1 4Å; F231-Y265 HydrophobicContact CB-CD1 4.45Å; F231-Y265 HydrophobicContact CB-CD2 3.78Å; F231-Y265 HydrophobicContact CB-CE2 4.13Å; F231-Y265 HydrophobicContact CB-CG 3.94Å; F231-Y265 AromaticContact CD1-CD1 3.34Å; F231-Y265 HydrophobicContact CD1-CD1 3.34Å; F231-Y265 HydrophobicContact CD1-CD2 4.21Å; F231-Y265 AromaticContact CD1-CE1 3.92Å; F231-Y265 HydrophobicContact CD1-CE1 3.92Å; F231-Y265 AromaticContact CD1-CG 3.5Å; F231-Y265 HydrophobicContact CD1-CG 3.5Å; F231-Y265 VanDerWaalsContact CD1-CG 3.5Å; F231-Y265 VanDerWaalsContact CD2-CB 3.41Å; F231-Y265 HydrophobicContact CD2-CD2 4.43Å; F231-Y265 AromaticContact CD2-CG 3.93Å; F231-Y265 HydrophobicContact CD2-CG 3.93Å; F231-Y265 AromaticContact CE1-CD1 3.61Å; F231-Y265 HydrophobicContact CE1-CD1 3.61Å; F231-Y265 HydrophobicContact CE1-CE1 4.45Å; F231-Y265 AromaticContact CE1-CG 3.92Å; F231-Y265 HydrophobicContact CE1-CG 3.92Å; F231-Y265 VanDerWaalsContact CE2-CB 3.43Å; F231-Y265 HydrophobicContact CE2-CG 4.28Å; F231-Y265 AromaticContact CG-CD1 3.89Å; F231-Y265 HydrophobicContact CG-CD1 3.89Å; F231-Y265 AromaticContact CG-CD2 3.91Å; F231-Y265 HydrophobicContact CG-CD2 3.91Å; F231-Y265 AromaticContact CG-CG 3.52Å; F231-Y265 HydrophobicContact CG-CG 3.52Å; F231-Y265 HydrophobicContact CZ-CD1 4.33Å; F231-Y265 HydrophobicContact CZ-CG 4.29Å; A234-Y265 HydrophobicContact CB-CE2 3.85Å; A252-Y265 CarbonylContact C-O 3.07Å; A252-Y265 WeakPolarHBondContact CA-O 3.27Å; V253-Y265 HydrophobicContact CB-CD2 4.47Å; V253-Y265 PolarHBondContact N-O 2.85Å; V253-Y265 PolarHBondContact O-N 2.54Å; F255-Y265 HydrophobicContact CD2-CD2 4.35Å; F255-Y265 HydrophobicContact CD2-CE2 4.03Å; F255-Y265 HydrophobicContact CE2-CD2 4.28Å; F255-Y265 HydrophobicContact CE2-CE2 4.07Å; I263-Y265 HydrophobicContact CD1-CE1 4Å; I263-Y265 HydrophobicContact CD1-CE2 4.13Å; I263-Y265 WeakPolarHBondContact CD1-OH 3.29Å; I263-Y265 HydrophobicContact CG1-CE1 4.21Å; I263-Y265 HydrophobicContact CG1-CE2 3.9Å; I263-Y265 HydrophobicContact CG2-CE2 4.25Å
266Y93.5Very high82.5Confident10 Ų1069 Ų694%0.03935%0.354CS..EExtended strand (participates in β ladder)trans-119.9138.7171.5-56.2-93.5000109.3F47 A65 L66 A68 I147 I251 A252 R264F47-Y266 HydrophobicContact CE1-CD1 4.17Å; F47-Y266 HydrophobicContact CE1-CE1 4.4Å; F47-Y266 HydrophobicContact CE2-CG 4.4Å; F47-Y266 AromaticContact CZ-CD1 3.53Å; F47-Y266 HydrophobicContact CZ-CD1 3.53Å; F47-Y266 HydrophobicContact CZ-CD2 4.45Å; F47-Y266 HydrophobicContact CZ-CE1 4.06Å; F47-Y266 AromaticContact CZ-CG 3.73Å; F47-Y266 HydrophobicContact CZ-CG 3.73Å; A65-Y266 CarbonylContact C-O 3.51Å; A65-Y266 WeakPolarHBondContact CA-O 3.45Å; L66-Y266 HydrophobicContact CB-CD2 4.3Å; L66-Y266 HydrophobicContact CD2-CD2 3.54Å; L66-Y266 HydrophobicContact CD2-CE2 3.92Å; L66-Y266 HydrophobicContact CG-CD2 4.46Å; L66-Y266 PolarHBondContact N-O 3.08Å; L66-Y266 PolarHBondContact O-N 2.87Å; A68-Y266 HydrophobicContact CB-CE2 4.41Å; I147-Y266 HydrophobicContact CD1-CE2 3.71Å; I147-Y266 HydrophobicContact CG2-CE1 4.24Å; I147-Y266 HydrophobicContact CG2-CE2 4.45Å; I251-Y266 VanDerWaalsContact O-CA 3.25Å; I251-Y266 WeakPolarHBondContact O-CA 3.45Å; A252-Y266 HydrophobicContact CB-CD1 3.83Å; A252-Y266 HydrophobicContact CB-CE1 3.57Å; R264-Y266 HydrophobicContact CB-CE2 3.9Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å
267L92.6Very high79.7Confident0 Ų069.8 Ų69.80%036%0.358CS..EExtended strand (participates in β ladder)trans-140121179173.965.2000109.1V64 F223 Y227 L228 F231 P250 I251V64-L267 HydrophobicContact CB-CD1 4.31Å; V64-L267 HydrophobicContact CG1-CD1 4.28Å; V64-L267 WeakPolarHBondContact O-CA 3.49Å; V64-L267 WeakPolarHBondContact O-CD1 3.4Å; F223-L267 HydrophobicContact CB-CD2 3.87Å; F223-L267 HydrophobicContact CD1-CD2 4.16Å; F223-L267 HydrophobicContact CD1-CG 4.05Å; F223-L267 WeakPolarHBondContact CE1-O 3.37Å; F223-L267 HydrophobicContact CG-CD2 4.32Å; Y227-L267 HydrophobicContact CD1-CD1 4.34Å; Y227-L267 HydrophobicContact CD2-CD1 3.98Å; Y227-L267 HydrophobicContact CG-CD1 3.78Å; L228-L267 HydrophobicContact CD2-CD2 3.84Å; L228-L267 HydrophobicContact CG-CD2 3.95Å; F231-L267 HydrophobicContact CE2-CB 3.66Å; F231-L267 HydrophobicContact CE2-CD2 4.21Å; F231-L267 HydrophobicContact CZ-CB 4.01Å; P250-L267 CarbonylContact C-O 3.58Å; P250-L267 WeakPolarHBondContact CA-O 3.31Å; I251-L267 HydrophobicContact CG2-CB 3.82Å; I251-L267 PolarHBondContact N-O 2.65Å; I251-L267 PolarHBondContact O-N 3.09Å
268A91.1Very high77.1Confident17 Ų1778.6 Ų78.614%0.1440%0.396CS..PPolyproline II helixtrans-67.3149.7175.600000110.8L43 A46 V64L43-A268 HydrophobicContact CD2-CB 3.83Å; A46-A268 HydrophobicContact CB-CB 4.48Å; V64-A268 HydrophobicContact CG1-CB 3.18Å; V64-A268 PolarHBondContact O-N 3.16Å; V64-A268 VanDerWaalsContact O-N 3.16Å
269P91.6Very high74.8Confident37 Ų3777.4 Ų77.424%0.2440%0.397CS..PPolyproline II helixtrans-66.1155.7178.429.6-36.4000112.1V221 S222 F223V221-P269 HydrophobicContact CG1-CB 3.44Å; V221-P269 VanDerWaalsContact CG1-CB 3.44Å; V221-P269 HydrophobicContact CG1-CG 4.46Å; S222-P269 CarbonylContact O-C 3.5Å; S222-P269 WeakPolarHBondContact O-CA 3.27Å; F223-P269 HydrophobicContact CD1-CB 4.49Å; F223-P269 HydrophobicContact CE1-CB 4.04Å
270K87.2Confident72.2Confident76 Ų7680.8 Ų80.833%0.3340%0.401SS..PPolyproline II helixtrans-78.3133.3162-76.9-175.7159.3-174.40108.2E175 S176 S222E175-K270 PolarHBondContact O-NZ 3.22Å; S176-K270 WeakPolarHBondContact OG-CD 3.16Å; S222-K270 PolarHBondContact O-N 3.35Å
271I74.2Confident69.4Low104 Ų10486 Ų8653%0.53344%0.435SS..PPolyproline II helixtrans-83.6119.7168.4-58.2171.3000105.9L56 E273L56-I271 HydrophobicContact CB-CD1 3.39Å; I271-E273 PolarHBondContact O-N 3.05Å
272D64Low66.7Low101 Ų10190.1 Ų90.154%0.5447%0.468SS..PPolyproline II helixtrans-66.6121.7175.1-68.5-34.2000108.5D274D272-D274 PolarHBondContact O-N 3.28Å
273E52Low63.8Low194 Ų19496.3 Ų96.391%0.90750%0.5SS*.SBendtrans-71.7-13.8176.1-66.5-176.6173.100111.9I271I271-E273 PolarHBondContact O-N 3.05Å
274D46Very low61Low120 Ų120105.2 Ų105.264%0.64254%0.541SS*.  trans-122.3102179.4-96.6-37.5000112.1D272 E276D272-D274 PolarHBondContact O-N 3.28Å; D274-E276 PolarHBondContact O-N 3.32Å; D274-E276 VanDerWaalsContact O-N 3.13Å
275P43.2Very low58.2Low111 Ų111111.1 Ų111.172%0.72157%0.572SS**THydrogen-bonded Turntrans-70.2-3.6-179.526.2-32.7000114.9F277P275-F277 PolarHBondContact O-N 3.45Å
276E42.9Very low55.5Low184 Ų184119.9 Ų119.986%0.8661%0.613SS**THydrogen-bonded Turntrans-81.9-7.5-174.9-68.2-174.9168.800114.3D274D274-E276 PolarHBondContact O-N 3.32Å; D274-E276 VanDerWaalsContact O-N 3.13Å
277F39.5Very low52.9Low134 Ų134128.1 Ų128.159%0.58865%0.652SS**  trans-105.958.8-178.6-154.3-98000112.8P275 T279P275-F277 PolarHBondContact O-N 3.45Å; F277-T279 HydrophobicContact CE1-CG2 3.93Å; F277-T279 HydrophobicContact CZ-CG2 4.27Å; F277-T279 PolarHBondContact O-N 3.11Å
278K41.3Very low50.5Low188 Ų188132.7 Ų132.782%0.81769%0.689SS**  trans-81.2111.6157.6-71.5-172.4178.9-175.20107.3E280K278-E280 PolarHBondContact O-N 3.47Å; K278-E280 VanDerWaalsContact O-N 3.11Å
279T43.3Very low48Very low97 Ų97137.7 Ų137.760%0.59572%0.718SS**  trans-62.2113.8169.119.30000107.4F277F277-T279 HydrophobicContact CE1-CG2 3.93Å; F277-T279 HydrophobicContact CZ-CG2 4.27Å; F277-T279 PolarHBondContact O-N 3.11Å
280E35.6Very low45.7Very low178 Ų178144.4 Ų144.483%0.83275%0.748SS**  trans-56.1137171.4-69.7-177.9154.200108.5K278 A282K278-E280 PolarHBondContact O-N 3.47Å; K278-E280 VanDerWaalsContact O-N 3.11Å; E280-A282 PolarHBondContact O-N 2.83Å
281P36.8Very low43.5Very low117 Ų117149.3 Ų149.376%0.7677%0.772SS**  trans-58131.5174-3.212.5000108.3E283P281-E283 PolarHBondContact O-N 3.36Å
282A39.8Very low42.1Very low98 Ų98155.9 Ų155.981%0.8181%0.809SS**  trans-55113.717200000108.6E280 E284E280-A282 PolarHBondContact O-N 2.83Å; A282-E284 PolarHBondContact O-N 3.29Å
283E37.2Very low41Very low184 Ų184158.6 Ų158.686%0.8682%0.822SS**  trans-55.5124.6173.8-65.4-179.5157.900108.3P281 E285P281-E283 PolarHBondContact O-N 3.36Å; E283-E285 PolarHBondContact O-N 2.97Å; E283-E285 VanDerWaalsContact O-N 3.12Å
284E37.1Very low40.4Very low186 Ų186156.7 Ų156.787%0.86982%0.818SS**  trans-63.6108.8171.1-69.3175.7163.100107.5A282 E286A282-E284 PolarHBondContact O-N 3.29Å; E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 3.47Å
285E38.2Very low40.1Very low197 Ų197158.8 Ų158.892%0.92183%0.827SS**  trans-64.296.7166.7-74.6-175.816400108.1E283 E287E283-E285 PolarHBondContact O-N 2.97Å; E283-E285 VanDerWaalsContact O-N 3.12Å; E285-E287 PolarHBondContact O-N 3.5Å; E285-E287 VanDerWaalsContact O-N 3.15Å
286E39.4Very low39.9Very low184 Ų184161.6 Ų161.686%0.8683%0.834SS**  trans-62.4108.8164.8-83.8-175148.300109.1E284 A288E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 3.47Å; E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.13Å
287E37.1Very low39.7Very low184 Ų184160.2 Ų160.286%0.8683%0.832SS**  trans-58.693.5162.1-86.3-175.4145.300109.8E285 T289E285-E287 PolarHBondContact O-N 3.5Å; E285-E287 VanDerWaalsContact O-N 3.15Å; E287-T289 VanDerWaalsContact C-N 3.34Å; E287-T289 PolarHBondContact O-N 3.16Å
288A43.6Very low39.8Very low96 Ų96161.9 Ų161.979%0.79385%0.848SS**  trans-7788.5163.600000109.5E286 M290E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.13Å; A288-M290 PolarHBondContact O-N 3.26Å
289T39.1Very low39.6Very low121 Ų121160.1 Ų160.174%0.74285%0.851SS**  trans-64.6115.4154.238.60000108.6E287E287-T289 VanDerWaalsContact C-N 3.34Å; E287-T289 PolarHBondContact O-N 3.16Å
290M41.3Very low39.4Very low178 Ų178164.9 Ų164.988%0.87787%0.87SS**  trans-158.9112.5155.2-116.6178.1-86.600112.4A288A288-M290 PolarHBondContact O-N 3.26Å
291E41.5Very low39.7Very low179 Ų179163.8 Ų163.884%0.83687%0.873SS**  trans-14.6123158.7-61.417114600117.9
292N45Very low39.9Very low242 Ų242168.1 Ų168.1100%1.29488%0.884SS**  -169.60121.5-94.9-33000111

Retrieved 292 of 292 residues in 284.5 ms (Link to these results)

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