A0A5K4FA66_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 385 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
1M64.9Low74.1Confident46 Ų4673.1 Ų73.123%0.22738%0.379CS..  087.60-67.8-169.372.700109D5 I7 L11 L13 I16 L197 L199M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.42Å; M1-I7 HydrophobicContact CE-CG2 3.79Å; M1-L11 HydrophobicContact CE-CD1 3.62Å; M1-L13 HydrophobicContact CE-CD1 4.48Å; M1-I16 WeakPolarHBondContact O-CD1 3Å; M1-L197 HydrophobicContact CB-CB 4.41Å; M1-L197 HydrophobicContact CB-CD2 4.38Å; M1-L197 PolarHBondContact N-O 3.19Å; M1-L197 VanDerWaalsContact O-CB 3.23Å; M1-L197 WeakPolarHBondContact O-CB 3.41Å; M1-L199 HydrophobicContact SD-CD1 3.88Å
2S73.2Confident74.6Confident5 Ų570.9 Ų70.94%0.03539%0.388CS..  trans-102.6159161.9760000108.9D4 D5 G8S2-D4 PolarHBondContact O-N 3.5Å; S2-D4 PolarHBondContact OG-N 3.48Å; S2-D5 VanDerWaalsContact N-CG 3.32Å; S2-D5 PolarHBondContact N-OD2 3.2Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.24Å; S2-G8 WeakPolarHBondContact O-CA 3.03Å
3P72.6Confident75Confident21 Ų2166.3 Ų66.314%0.13636%0.363CS..THydrogen-bonded Turntrans-48.5-33165.8-32.641000113.8G8 S9 L13 I16P3-G8 CarbonylContact O-C 3.57Å; P3-S9 PolarHBondContact O-N 3.39Å; P3-S9 VanDerWaalsContact O-N 3.17Å; P3-L13 VanDerWaalsContact CB-O 3.31Å; P3-L13 WeakPolarHBondContact CB-O 3.48Å; P3-I16 HydrophobicContact CG-CG1 4.46Å
4D74.9Confident75.4Confident126 Ų12665.9 Ų65.967%0.67437%0.367SS*.THydrogen-bonded Turntrans-86.8-10.3-175.9-52.1-48.6000113.1S2S2-D4 PolarHBondContact O-N 3.5Å; S2-D4 PolarHBondContact OG-N 3.48Å
5D74.2Confident75.6Confident38 Ų3862.1 Ų62.120%0.20335%0.347CS..SBendtrans-75.2152.9176.4-65.8-11.6000110.1M1 S2 I7 G8 S9M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.42Å; S2-D5 VanDerWaalsContact N-CG 3.32Å; S2-D5 PolarHBondContact N-OD2 3.2Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.24Å; D5-I7 PolarHBondContact O-N 2.88Å; D5-G8 PolarHBondContact O-N 2.74Å; D5-S9 WeakPolarHBondContact O-CB 3.33Å; D5-S9 PolarHBondContact O-N 2.7Å
6P76Confident75.8Confident97 Ų9758.3 Ų58.363%0.6333%0.325SS*.Hα-helixtrans-53.6-33.3178.7-27.834.3000114.2R10P6-R10 VanDerWaalsContact O-CB 3.29Å; P6-R10 WeakPolarHBondContact O-CB 3.36Å; P6-R10 WeakPolarHBondContact O-CD 3.29Å; P6-R10 WeakPolarHBondContact O-CG 3.44Å; P6-R10 PolarHBondContact O-N 3.21Å
7I75.4Confident76Confident88 Ų8855.8 Ų55.845%0.45131%0.311SS..Hα-helixtrans-75.8-44.1177.6-55.9175.5000110.4M1 D5 R10 L11M1-I7 HydrophobicContact CE-CG2 3.79Å; D5-I7 PolarHBondContact O-N 2.88Å; I7-R10 PolarHBondContact O-N 2.75Å; I7-L11 HydrophobicContact CG2-CD1 4.08Å; I7-L11 WeakPolarHBondContact O-CB 3.23Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 2.81Å
8G75.8Confident76Confident0 Ų054.4 Ų54.40%030%0.304CS..Hα-helixtrans-67.6-41.1-179.900000112.6S2 P3 D5 L11 G12 L13S2-G8 WeakPolarHBondContact O-CA 3.03Å; P3-G8 CarbonylContact O-C 3.57Å; D5-G8 PolarHBondContact O-N 2.74Å; G8-L11 CarbonylContact O-C 3.59Å; G8-L11 PolarHBondContact O-N 2.77Å; G8-G12 PolarHBondContact O-N 3.41Å; G8-G12 VanDerWaalsContact O-N 3.15Å; G8-L13 PolarHBondContact O-N 3.14Å
9S76.9Confident75.7Confident80 Ų8051.6 Ų51.656%0.55929%0.288SS*.Hα-helixtrans-63.3-42.9174.8177.90000111.9P3 D5 L11 G12P3-S9 PolarHBondContact O-N 3.39Å; P3-S9 VanDerWaalsContact O-N 3.17Å; D5-S9 WeakPolarHBondContact O-CB 3.33Å; D5-S9 PolarHBondContact O-N 2.7Å; S9-L11 VanDerWaalsContact C-N 3.26Å; S9-L11 PolarHBondContact O-N 3.42Å; S9-G12 PolarHBondContact O-N 3.38Å
10R78.4Confident75.2Confident225 Ų22550.9 Ų50.985%0.84929%0.286SS*.Hα-helixtrans-62.5-32173.8-79.5174.5-176.2-162.71.4113.5P6 I7P6-R10 VanDerWaalsContact O-CB 3.29Å; P6-R10 WeakPolarHBondContact O-CB 3.36Å; P6-R10 WeakPolarHBondContact O-CD 3.29Å; P6-R10 WeakPolarHBondContact O-CG 3.44Å; P6-R10 PolarHBondContact O-N 3.21Å; I7-R10 PolarHBondContact O-N 2.75Å
11L73.3Confident74.8Confident78 Ų7852.6 Ų52.641%0.40829%0.294SS..THydrogen-bonded Turntrans-81.7-0.9174.9-69.2173000112.6M1 I7 G8 S9 L13M1-L11 HydrophobicContact CE-CD1 3.62Å; I7-L11 HydrophobicContact CG2-CD1 4.08Å; I7-L11 WeakPolarHBondContact O-CB 3.23Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 2.81Å; G8-L11 CarbonylContact O-C 3.59Å; G8-L11 PolarHBondContact O-N 2.77Å; S9-L11 VanDerWaalsContact C-N 3.26Å; S9-L11 PolarHBondContact O-N 3.42Å; L11-L13 HydrophobicContact CB-CD1 4.37Å; L11-L13 HydrophobicContact CB-CD2 4.39Å; L11-L13 HydrophobicContact CB-CG 3.85Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 2.92Å
12G80Confident74.8Confident47 Ų4757.1 Ų57.149%0.48532%0.319SS..THydrogen-bonded Turntrans63.723.9-17700000113.4G8 S9 S14 N214G8-G12 PolarHBondContact O-N 3.41Å; G8-G12 VanDerWaalsContact O-N 3.15Å; S9-G12 PolarHBondContact O-N 3.38Å; G12-S14 PolarHBondContact O-N 3.08Å; G12-N214 WeakPolarHBondContact O-CB 3.44Å
13L80.1Confident74.4Confident11 Ų1157 Ų576%0.05832%0.318CS..  trans-67.8131.8-177.9-63.2-179.1000110.3M1 P3 G8 L11 N214 L216M1-L13 HydrophobicContact CE-CD1 4.48Å; P3-L13 VanDerWaalsContact CB-O 3.31Å; P3-L13 WeakPolarHBondContact CB-O 3.48Å; G8-L13 PolarHBondContact O-N 3.14Å; L11-L13 HydrophobicContact CB-CD1 4.37Å; L11-L13 HydrophobicContact CB-CD2 4.39Å; L11-L13 HydrophobicContact CB-CG 3.85Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 2.92Å; L13-N214 CarbonylContact C-O 3.53Å; L13-N214 WeakPolarHBondContact CA-O 3.13Å; L13-L216 HydrophobicContact CD1-CB 4.13Å; L13-L216 HydrophobicContact CD1-CD2 4.25Å; L13-L216 HydrophobicContact CD2-CB 4.09Å
14S80.3Confident73.9Confident61 Ų6157.4 Ų57.443%0.42732%0.32SS..  trans-105.1-25.9172.568.70000112.1G12 N214G12-S14 PolarHBondContact O-N 3.08Å; S14-N214 WeakPolarHBondContact CB-ND2 3.49Å; S14-N214 PolarHBondContact N-O 3.39Å; S14-N214 PolarHBondContact OG-ND2 3Å; S14-N214 VanDerWaalsContact OG-ND2 3.12Å; S14-N214 PolarHBondContact OG-O 3.17Å; S14-N214 PolarHBondContact OG-OD1 2.95Å; S14-N214 VanDerWaalsContact OG-OD1 3.13Å
15S78.1Confident73.3Confident9 Ų959.1 Ų59.16%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-157.8152.6-173.245.80000111.8F17 N214 R215 L216S15-F17 VanDerWaalsContact OG-CE2 3.32Å; S15-F17 WeakPolarHBondContact OG-CE2 3.32Å; S15-N214 PolarHBondContact N-O 3.28Å; S15-R215 WeakPolarHBondContact O-CA 2.96Å; S15-R215 WeakPolarHBondContact OG-CG 3.4Å; S15-L216 PolarHBondContact O-N 3.01Å
16I79.1Confident72.7Confident0 Ų060 Ų600%034%0.337CS..EExtended strand (participates in β ladder)trans-126.3132.8177.9-53.4-177.1000107.1M1 P3 Q189 I190 L216 L218M1-I16 WeakPolarHBondContact O-CD1 3Å; P3-I16 HydrophobicContact CG-CG1 4.46Å; I16-Q189 CarbonylContact O-C 3.55Å; I16-Q189 WeakPolarHBondContact O-CA 3.28Å; I16-Q189 WeakPolarHBondContact O-CG 3.5Å; I16-I190 HydrophobicContact CB-CB 4.37Å; I16-I190 HydrophobicContact CG2-CB 4.48Å; I16-I190 HydrophobicContact CG2-CD1 3.74Å; I16-I190 HydrophobicContact CG2-CG1 4.38Å; I16-I190 PolarHBondContact O-N 3.06Å; I16-L216 CarbonylContact C-O 3.52Å; I16-L216 VanDerWaalsContact CA-O 3.28Å; I16-L216 WeakPolarHBondContact CA-O 3.44Å; I16-L216 HydrophobicContact CB-CB 4.47Å; I16-L216 HydrophobicContact CD1-CD2 4.18Å; I16-L216 HydrophobicContact CG1-CB 4.13Å; I16-L216 HydrophobicContact CG1-CD2 4.31Å; I16-L216 HydrophobicContact CG2-CB 4.24Å; I16-L216 HydrophobicContact CG2-CD2 4.11Å; I16-L216 HydrophobicContact CG2-CG 4.38Å; I16-L218 HydrophobicContact CG2-CD1 4.29Å; I16-L218 HydrophobicContact CG2-CG 4.27Å
17F78.1Confident71.9Confident17 Ų1757.3 Ų57.38%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-119.4147.9179.9-63.5-91.1000109.5S15 M187 H188 Q189 R215 L216 F217 L218S15-F17 VanDerWaalsContact OG-CE2 3.32Å; S15-F17 WeakPolarHBondContact OG-CE2 3.32Å; F17-M187 HydrophobicContact CB-CG 4.31Å; F17-M187 HydrophobicContact CB-SD 4.45Å; F17-M187 HydrophobicContact CD1-CG 4.17Å; F17-M187 HydrophobicContact CD1-SD 4.13Å; F17-M187 HydrophobicContact CG-SD 4.43Å; F17-H188 WeakPolarHBondContact CA-O 3.29Å; F17-Q189 HydrophobicContact CD1-CB 3.86Å; F17-Q189 HydrophobicContact CD1-CG 4.25Å; F17-Q189 HydrophobicContact CE1-CB 3.67Å; F17-Q189 HydrophobicContact CE1-CG 3.89Å; F17-Q189 HydrophobicContact CZ-CB 4.4Å; F17-Q189 HydrophobicContact CZ-CG 4.13Å; F17-R215 HydrophobicContact CD2-CB 4.19Å; F17-R215 HydrophobicContact CE2-CB 3.98Å; F17-R215 HydrophobicContact CE2-CG 4.02Å; F17-L216 PolarHBondContact N-O 3.02Å; F17-F217 HydrophobicContact CB-CD1 3.62Å; F17-F217 HydrophobicContact CB-CE1 3.91Å; F17-F217 HydrophobicContact CB-CG 4.41Å; F17-F217 HydrophobicContact CD2-CD1 4.24Å; F17-F217 AromaticContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CZ 4.09Å; F17-F217 HydrophobicContact CG-CD1 4.15Å; F17-F217 AromaticContact CG-CE1 3.91Å; F17-F217 HydrophobicContact CG-CE1 3.91Å; F17-F217 CarbonylContact O-C 3.46Å; F17-F217 WeakPolarHBondContact O-CA 3.45Å; F17-L218 PolarHBondContact O-N 3.31Å
18V76.7Confident71.3Confident31 Ų3157.2 Ų57.219%0.18831%0.313CS..EExtended strand (participates in β ladder)trans-103.9128.6161.5-178.80000106.9M187 H188 I190 L218V18-M187 VanDerWaalsContact O-CA 3.32Å; V18-M187 WeakPolarHBondContact O-CA 3.37Å; V18-H188 PolarHBondContact N-O 3.42Å; V18-H188 PolarHBondContact O-N 3.07Å; V18-I190 HydrophobicContact CG2-CD1 3.41Å; V18-I190 VanDerWaalsContact CG2-CD1 3.41Å; V18-I190 HydrophobicContact CG2-CG1 3.65Å; V18-L218 WeakPolarHBondContact CA-O 3.29Å; V18-L218 HydrophobicContact CG2-CB 4.43Å; V18-L218 HydrophobicContact CG2-CD1 4.43Å
19A70.9Confident70.2Confident0 Ų062 Ų620%034%0.344CS..EExtended strand (participates in β ladder)trans-125.8138.5177.700000109.9A23 L27 M187 L218 V219 S220A19-A23 HydrophobicContact CB-CB 4.22Å; A19-L27 HydrophobicContact CB-CD1 4.1Å; A19-M187 HydrophobicContact CB-CG 4.46Å; A19-L218 PolarHBondContact N-O 3.17Å; A19-V219 WeakPolarHBondContact O-CA 3.48Å; A19-S220 PolarHBondContact O-N 3.26Å; A19-S220 VanDerWaalsContact O-N 3.12Å
20P65.7Low68.8Low38 Ų3865.6 Ų65.625%0.24735%0.352CS..EExtended strand (participates in β ladder)trans-64.3155164.626-29.9000109.9D22 A23 P185P20-D22 PolarHBondContact O-N 2.92Å; P20-A23 HydrophobicContact CG-CB 3.55Å; P20-A23 WeakPolarHBondContact O-CA 3.47Å; P20-A23 VanDerWaalsContact O-CB 3.29Å; P20-A23 WeakPolarHBondContact O-CB 3.26Å; P20-A23 PolarHBondContact O-N 2.74Å; P20-P185 WeakPolarHBondContact CG-O 2.82Å
21L67Low67.1Low87 Ų8761 Ų6146%0.45535%0.35SS..Hα-helixtrans-55.2-42.8-179.4-174.464000111.8A23 V24 V219L21-A23 PolarHBondContact O-N 3.1Å; L21-V24 VanDerWaalsContact O-CB 3.28Å; L21-V24 WeakPolarHBondContact O-CB 3.48Å; L21-V24 WeakPolarHBondContact O-CG2 3.4Å; L21-V24 PolarHBondContact O-N 3.1Å; L21-V219 HydrophobicContact CB-CG1 4.15Å; L21-V219 HydrophobicContact CD1-CG1 3.62Å
22D64.5Low65.3Low140 Ų14062.6 Ų62.675%0.74936%0.363SS*.Hα-helixtrans-63.1-22.7178.5-48.2-17000112.8P20 V24P20-D22 PolarHBondContact O-N 2.92Å; D22-V24 VanDerWaalsContact C-N 3.35Å
23A64.4Low63.3Low3 Ų364.8 Ų64.83%0.02537%0.371CS..Hα-helixtrans-79.9-17.7175.400000113A19 P20 L21 A26 L27 V184A19-A23 HydrophobicContact CB-CB 4.22Å; P20-A23 HydrophobicContact CG-CB 3.55Å; P20-A23 WeakPolarHBondContact O-CA 3.47Å; P20-A23 VanDerWaalsContact O-CB 3.29Å; P20-A23 WeakPolarHBondContact O-CB 3.26Å; P20-A23 PolarHBondContact O-N 2.74Å; L21-A23 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 2.9Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 3.32Å; A23-V184 VanDerWaalsContact CA-CG1 3.41Å; A23-V184 HydrophobicContact CB-CB 4.02Å; A23-V184 HydrophobicContact CB-CG1 3.18Å
24V62.9Low61.3Low29 Ų2972.2 Ų72.218%0.17641%0.405CS..Hα-helixtrans-70.7-37.2-177.1-177.40000111.2L21 D22 A26 L27 F28 V219L21-V24 VanDerWaalsContact O-CB 3.28Å; L21-V24 WeakPolarHBondContact O-CB 3.48Å; L21-V24 WeakPolarHBondContact O-CG2 3.4Å; L21-V24 PolarHBondContact O-N 3.1Å; D22-V24 VanDerWaalsContact C-N 3.35Å; V24-A26 PolarHBondContact O-N 2.97Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 2.93Å; V24-F28 HydrophobicContact CG1-CD2 3.71Å; V24-F28 HydrophobicContact CG1-CE2 3.89Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 3.37Å; V24-V219 HydrophobicContact CG2-CB 4.05Å; V24-V219 HydrophobicContact CG2-CG1 3.48Å; V24-V219 VanDerWaalsContact CG2-CG1 3.48Å; V24-V219 HydrophobicContact CG2-CG2 3.38Å
25E60.9Low59Low162 Ų16276.5 Ų76.576%0.75743%0.429SS*.Hα-helixtrans-60.6-35175.2-68.4-178-178.900111.9L27 F28E25-L27 VanDerWaalsContact C-N 3.34Å; E25-F28 CarbonylContact O-C 3.25Å; E25-F28 VanDerWaalsContact O-C 3.25Å
26A62.7Low56.9Low57 Ų5780 Ų8047%0.47145%0.453SS..Hα-helixtrans-74.8-22.5174.800000113.4A23 V24 V184A23-A26 PolarHBondContact O-N 2.9Å; V24-A26 PolarHBondContact O-N 2.97Å; A26-V184 HydrophobicContact CB-CG1 3.75Å; A26-V184 HydrophobicContact CB-CG2 4.03Å
27L59.8Low54.7Low40 Ų4084.5 Ų84.521%0.20948%0.484CS..Hα-helixtrans-82.8-26.5177.1-70.9169.1000112.7A19 A23 V24 E25 P29 V184 M187 F217A19-L27 HydrophobicContact CB-CD1 4.1Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 3.32Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 2.93Å; E25-L27 VanDerWaalsContact C-N 3.34Å; L27-P29 VanDerWaalsContact C-CD 3.48Å; L27-V184 HydrophobicContact CD2-CG2 3.88Å; L27-V184 HydrophobicContact CG-CG2 4.08Å; L27-M187 HydrophobicContact CD1-SD 4.1Å; L27-M187 HydrophobicContact CD2-CE 4.44Å; L27-M187 HydrophobicContact CD2-SD 3.85Å; L27-F217 HydrophobicContact CD1-CD1 3.61Å; L27-F217 HydrophobicContact CD1-CE1 3.75Å; L27-F217 HydrophobicContact CD1-CG 4.39Å; L27-F217 HydrophobicContact CD2-CE1 4Å
28F61.6Low52.7Low86 Ų8692.5 Ų92.538%0.37752%0.522SS..SBendtrans-123.872.4174.4-56.6-80.3000108V24 E25 E30 A210V24-F28 HydrophobicContact CG1-CD2 3.71Å; V24-F28 HydrophobicContact CG1-CE2 3.89Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 3.37Å; E25-F28 CarbonylContact O-C 3.25Å; E25-F28 VanDerWaalsContact O-C 3.25Å; F28-E30 PolarHBondContact O-N 2.9Å; F28-A210 HydrophobicContact CE2-CB 3.99Å; F28-A210 HydrophobicContact CZ-CB 4.01Å
29P53.4Low51Low100 Ų10096.3 Ų96.365%0.64955%0.55SS*.  trans-54.9113.3169.323.8-30.4000105.5L27 T31L27-P29 VanDerWaalsContact C-CD 3.48Å; P29-T31 PolarHBondContact O-N 2.85Å
30E47.3Very low49.2Very low157 Ų157102.6 Ų102.673%0.73459%0.594SS**  trans-45.2126.6173.3-75.4-176.1149.200105.6F28 T32F28-E30 PolarHBondContact O-N 2.9Å; E30-T32 HydrophobicContact CB-CG2 4.09Å; E30-T32 PolarHBondContact O-N 2.81Å; E30-T32 PolarHBondContact O-OG1 2.83Å
31T42.8Very low47.9Very low129 Ų129106.4 Ų106.479%0.79162%0.62SS**  trans-66.466.7160.351.70000106.8P29 S33P29-T31 PolarHBondContact O-N 2.85Å; T31-S33 PolarHBondContact O-N 3.29Å
32T35.4Very low46.9Very low111 Ų111107.2 Ų107.268%0.68163%0.633SS**  trans-71.354.7152.740.20000106.9E30 Q34E30-T32 HydrophobicContact CB-CG2 4.09Å; E30-T32 PolarHBondContact O-N 2.81Å; E30-T32 PolarHBondContact O-OG1 2.83Å; T32-Q34 PolarHBondContact O-N 3.26Å
33S37.4Very low45.6Very low93 Ų93107.2 Ų107.265%0.6563%0.633SS**  trans-69.588.2160.5-64.90000105.9T31 T35T31-S33 PolarHBondContact O-N 3.29Å; S33-T35 PolarHBondContact O-N 3.25Å
34Q38.8Very low44.6Very low166 Ų166114.1 Ų114.178%0.77667%0.669SS**  trans46.774142.2-58.5-179.4-11.200114.8T32 S36T32-Q34 PolarHBondContact O-N 3.26Å; Q34-S36 PolarHBondContact O-N 2.78Å
35T32.3Very low43.7Very low151 Ų151119.7 Ų119.793%0.92670%0.698SS**  trans-74.563.4149.161.70000108.3S33S33-T35 PolarHBondContact O-N 3.25Å
36S33.7Very low42.9Very low83 Ų83117.6 Ų117.658%0.5869%0.692SS**  trans-84.4111.1164.958.60000107.6Q34Q34-S36 PolarHBondContact O-N 2.78Å
37S33.3Very low42.2Very low94 Ų94126.1 Ų126.166%0.65771%0.712SS**SBendtrans77.799.9142.6-44.50000116.9
38H36.1Very low41.7Very low186 Ų186131.3 Ų131.386%0.86174%0.74SS**  trans66.184.9146.2-46.1-64.2000118.3
39S39.5Very low40.9Very low111 Ų111135.6 Ų135.678%0.77676%0.759SS**  trans-151.7117140.456.60000110.9C41S39-C41 PolarHBondContact O-N 3.33Å
40S34.6Very low40.4Very low131 Ų131137.6 Ų137.692%0.91677%0.769SS**  trans-74.3107174.7-55.60000109.2
41C38.2Very low40.3Very low118 Ų118137.5 Ų137.580%0.79777%0.773SS**  trans-110.7107.2164.7-70.90000107.3S39S39-C41 PolarHBondContact O-N 3.33Å
42S44.7Very low40.2Very low104 Ų104138.7 Ų138.773%0.72778%0.775SS**  trans-64.6134175.955.30000110.8N44S42-N44 PolarHBondContact O-N 2.89Å
43D37.2Very low40.5Very low141 Ų141138.7 Ų138.775%0.75478%0.779SS**  trans-47.5116.5160.5-78.2-47.8000110.9
44N43.2Very low40.6Very low148 Ų148138.8 Ų138.879%0.79178%0.78SS**  trans-131.584.5154-91.1-2.3000107.3S42 D46S42-N44 PolarHBondContact O-N 2.89Å; N44-D46 PolarHBondContact O-N 3.16Å; N44-D46 VanDerWaalsContact O-N 3.09Å
45N44.3Very low40.6Very low145 Ų145137.6 Ų137.678%0.77578%0.779SS**  trans-67.694.3162.2-82.2-36.9000108.6
46D44.4Very low41Very low118 Ų118136 Ų13663%0.63177%0.769SS**  trans-129.667.3169.5-1541.3000109.7N44 N48N44-D46 PolarHBondContact O-N 3.16Å; N44-D46 VanDerWaalsContact O-N 3.09Å; D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.32Å
47W49.2Very low41.3Very low236 Ų236138.8 Ų138.889%0.89478%0.777SS**  trans-89.220.9177.2-89.388.7000113.2
48N48.7Very low41.8Very low149 Ų149142.4 Ų142.480%0.79778%0.783SS**  trans-135.853.8-176.6-80.7-20.6000112.8D46D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.32Å
49K44.3Very low41.9Very low177 Ų177139.5 Ų139.577%0.7778%0.779SS**  trans-141.790.7157.6-74-158.4176.1-164.40111.8D51K49-D51 PolarHBondContact O-N 2.81Å
50V42.1Very low41.8Very low141 Ų141139.8 Ų139.886%0.85578%0.781SS**  trans-68.3110.7151.4172.30000106
51D46.7Very low41.9Very low155 Ų155139.7 Ų139.783%0.82978%0.777SS**  trans-154.3120.7154.1-105.3-27.9000110.3K49K49-D51 PolarHBondContact O-N 2.81Å
52D39.6Very low42Very low155 Ų155137.9 Ų137.983%0.82978%0.778SS**  trans-54126168.6-86.1-48.7000110.9
53S42.7Very low41.6Very low110 Ų110144 Ų14477%0.76979%0.785SS**  trans170.4108.8132.438.60000112.6
54S40Very low41.7Very low96 Ų96144.4 Ų144.467%0.67179%0.793SS**  trans8.9122.7139.549.20000120
55N36.9Very low41.4Very low140 Ų140146.6 Ų146.675%0.74980%0.796SS**  97.3126.1129.6-61.6-2.2000120
56T41.2Very low41.3Very low118 Ų118147.8 Ų147.872%0.72480%0.801SS**  trans83.6108.7139.748.40000120.3
57L41.4Very low41.2Very low142 Ų142147.2 Ų147.274%0.74381%0.806SS**  74.1112124.4-76.2158000118.9
58E42.2Very low40.5Very low169 Ų169143.4 Ų143.479%0.7980%0.803SS**  95.9121.6122.9-94.7-170.5177.500121.2
59V39.7Very low40Very low126 Ų126143 Ų14376%0.76481%0.81SS**  trans9797.1141.4-1760000118.8
60S37.2Very low39.6Very low117 Ų117143 Ų14382%0.81881%0.813SS**  trans2.9156.4149.1-62.80000124.3
61P36.6Very low39.3Very low129 Ų129143.1 Ų143.184%0.83881%0.808SS**  trans-107.5147.1-155.337.4-24.5000115
62G40.3Very low38.9Very low80 Ų80142.7 Ų142.783%0.82581%0.806SS**  trans-113.6129.1176.100000112.9
63R35.6Very low38.6Very low233 Ų233141.9 Ų141.988%0.87980%0.802SS**  trans-61.1148.9-179.5-58.6160.984.7175.57.5112.8
64T39.9Very low38.7Very low149 Ų149144.6 Ų144.691%0.91481%0.807SS**  -170.6137.8123.4160000113
65K35.3Very low38.7Very low194 Ų194146.7 Ų146.784%0.84381%0.81SS**  trans-69.4167.7174.7-72.3174169.7-178.80111.7
66L43Very low38.9Very low170 Ų170145.4 Ų145.489%0.8981%0.81SS**  trans144.3134.8148.6-76.5168000106.2
67S42.4Very low39.3Very low105 Ų105146 Ų14673%0.73482%0.816SS**  cis-176.71532.2410000106.5
68N34Very low39.4Very low157 Ų157147.4 Ų147.484%0.8482%0.818SS**  trans-40.9139.6174.1-74.6-7.8000116.1
69C38.1Very low39.5Very low140 Ų140145.6 Ų145.695%0.94681%0.814SS**  trans-134.4119.8140.1-73.70000108.9
70Q35.8Very low39.7Very low177 Ų177146.4 Ų146.483%0.82782%0.819SS**  trans-97.5159.9175.4-166.8176.624.900107.8
71L36.1Very low39.9Very low143 Ų143146.7 Ų146.775%0.74982%0.818SS**  trans86.6108.3160-138.373.8000116.4
72D38.1Very low40.3Very low147 Ų147146.3 Ų146.379%0.78682%0.819SS**  -171.5136.2101.2-94.2-37.4000112.1
73D33.6Very low40.8Very low138 Ų138146.9 Ų146.974%0.73882%0.816SS**  trans-93.5121-176.9-16710.4000108
74L45.1Very low41.7Very low166 Ų166141.2 Ų141.287%0.86981%0.809SS**  trans-136.9102.4174.6-78.5173.4000110.4
75N40.8Very low42Very low141 Ų141140.1 Ų140.175%0.75481%0.805SS**PPolyproline II helixtrans-58152.2171-85.4-65.3000113
76P40.5Very low42.8Very low113 Ų113137.7 Ų137.773%0.73481%0.806SS**PPolyproline II helixtrans-88.6150.5-175.235.7-32.9000112.6
77P48.8Very low42.8Very low131 Ų131133.4 Ų133.485%0.85180%0.803SS**PPolyproline II helixtrans-88.3134.817232.4-29.5000113
78E44.3Very low43.2Very low170 Ų170133.8 Ų133.879%0.79481%0.806SS**  trans-33.8156.5162.1-86178120.200119.9
79N43.4Very low44.6Very low132 Ų132136.3 Ų136.371%0.70681%0.809SS**  trans79.194.8143.8-69.7-36.2000120.3
80T45.4Very low45.3Very low142 Ų142141.2 Ų141.287%0.87181%0.808SS**  trans-156.7118.4137.2-17.30000112.2
81P39.8Very low46.8Very low123 Ų123143.8 Ų143.880%0.79981%0.81SS**  trans-105.5116.916733.6-21.7000110.1
82S45.5Very low48.3Very low122 Ų122146.4 Ų146.485%0.85382%0.815SS**  trans-165.1105.7162.7-165.20000112.9
83A51.3Low49.6Very low91 Ų91147.8 Ų147.875%0.75282%0.817SS**  168.1124.7128.400000109.9
84P54Low50.9Low114 Ų114148.8 Ų148.874%0.7482%0.821SS**  trans-82161.7178.634.2-33.1000112
85P47Very low51.9Low126 Ų126148 Ų14882%0.81882%0.817SS**  trans-90.7126.4-175.834.4-29000111.1
86T50.8Low52.9Low143 Ų143147.2 Ų147.288%0.87782%0.819SS**  trans-13080167.450.10000110.9
87G44.7Very low53.7Low80 Ų80147.2 Ų147.283%0.82582%0.822SS**  trans-90.9112.8165.500000110.5
88S51Low53.7Low114 Ų114152 Ų15280%0.79782%0.823SS**  trans-46.5129-172.8-173.20000116.7R90S88-R90 PolarHBondContact O-N 3.4Å
89K61.6Low53.7Low210 Ų210149.7 Ų149.791%0.91382%0.821SS**  trans-66.8107.1164.3-76.4-178.7177.5174.50109.5R91K89-R91 PolarHBondContact O-N 3.12Å
90R54.1Low54Low243 Ų243150 Ų15092%0.91782%0.822SS**  trans-70.2107.6172.7-167.6173.1156.7-171.4-6.9110.1S88 K92S88-R90 PolarHBondContact O-N 3.4Å; R90-K92 PolarHBondContact O-N 3.19Å
91R67.2Low53.8Low230 Ų230150.4 Ų150.487%0.86882%0.819SS**  trans-58.4122.6172.9-174.7178.2179.6-162.60.8110.1K89 Q93K89-R91 PolarHBondContact O-N 3.12Å; R91-Q93 PolarHBondContact O-N 3.37Å
92K68.1Low54.1Low198 Ų198150 Ų15086%0.86182%0.819SS**  trans-67.6111.3165.2-78.5-171177.3-178.60107.8R90R90-K92 PolarHBondContact O-N 3.19Å
93Q64.3Low54Low177 Ų177150.2 Ų150.283%0.82782%0.816SS**PPolyproline II helixtrans-81.9116.4168.3-149.6175.97.400106.9R91R91-Q93 PolarHBondContact O-N 3.37Å
94I60.7Low53.7Low159 Ų159153 Ų15382%0.81582%0.818SS**PPolyproline II helixtrans-79123.8173.6-61.6168.9000106.6
95L66.1Low53.2Low150 Ų150152.5 Ų152.579%0.78582%0.817SS**PPolyproline II helixtrans-81.7138.4171.1-70.4171000109.1
96P63.1Low53.1Low124 Ų124155.3 Ų155.381%0.80582%0.819SS**PPolyproline II helixtrans-71.1129.1173.65.65.5000110.6
97S57.2Low52.6Low112 Ų112155 Ų15578%0.78382%0.821SS**PPolyproline II helixtrans-70.7125.1167.335.50000109.8T99S97-T99 PolarHBondContact O-N 2.9Å
98R48.7Very low52.2Low233 Ų233155.7 Ų155.788%0.87982%0.819SS**  trans-66112.4169.9-96.6177.3154.3171.6-8109.4
99T44.3Very low51.7Low121 Ų121157 Ų15774%0.74282%0.821SS**  trans-80.6114.2157.338.80000108.7S97 N101S97-T99 PolarHBondContact O-N 2.9Å; T99-N101 PolarHBondContact O-N 3.06Å
100N48.9Very low50.8Low137 Ų137155.4 Ų155.473%0.73382%0.817SS**  trans-91.490.7170-62.5-12.5000108
101N41.6Very low50.2Low152 Ų152149.6 Ų149.681%0.81381%0.814SS**  trans-102105.5160.2-66.6-6.1000106.3T99T99-N101 PolarHBondContact O-N 3.06Å
102S45.4Very low49Very low114 Ų114147.5 Ų147.580%0.79781%0.814SS**  trans-135.387.3165.6-167.70000107.7D104S102-D104 PolarHBondContact O-N 2.89Å
103T43.8Very low47.7Very low127 Ų127146.2 Ų146.278%0.77981%0.811SS**  trans-47.5124144.920.70000109
104D44.1Very low46.8Very low150 Ų150143.6 Ų143.680%0.80280%0.798SS**  -171.6139.2130-105.4-25.5000113.4S102S102-D104 PolarHBondContact O-N 2.89Å
105S44.9Very low45.8Very low102 Ų102144.2 Ų144.271%0.71380%0.795SS**  trans74.595.6153.171.80000120.4
106H43.6Very low44.7Very low186 Ų186142.6 Ų142.686%0.86180%0.797SS**  17.5118.5126.6-62.5-74.9000119.4
107C41.3Very low43.7Very low136 Ų136148.1 Ų148.192%0.91980%0.802SS**  -160.5122.8123.3-96.90000109.8
108A36.9Very low42.9Very low95 Ų95149.6 Ų149.679%0.78580%0.801SS**  trans-70.2153.9170.900000110.5
109V40.3Very low42.6Very low140 Ų140143.9 Ų143.985%0.84880%0.795SS**  177.6135117.7158.50000109.5
110Q41.5Very low42.8Very low177 Ų177145.7 Ų145.783%0.82779%0.794SS**  trans-51150.7-179.2-62.2158.6-17.500115.9
111S41.4Very low42.6Very low121 Ų121148.1 Ų148.185%0.84680%0.801SS**  173.8145.2108.648.30000112.5
112E42.5Very low43Very low186 Ų186150.4 Ų150.487%0.86980%0.804SS**  trans-88.2145.2-173.8-56.2175.4138.500112
113H41.9Very low43.1Very low171 Ų171150.2 Ų150.279%0.79280%0.802SS**  trans-177.3105.6141-106.4-63.3000107.4
114E44.2Very low43.3Very low122 Ų122153.8 Ų153.857%0.5781%0.807SS**  85.8112.776.2-162.7172.1-17000114.2
115K39.3Very low43.4Very low172 Ų172154.3 Ų154.375%0.74881%0.805SS**  trans53.8115.3149.7-66.1168.3-172.5161.70119.6
116S42.9Very low43.4Very low117 Ų117159.7 Ų159.782%0.81881%0.809SS**  -173121106.955.30000111.6
117R43.1Very low43.4Very low240 Ų240159 Ų15991%0.90681%0.806SS**  trans-68.5138160.7-67.4172.5170.7169.4-4108.3
118N39.9Very low43.6Very low143 Ų143159.5 Ų159.577%0.76580%0.795SS**  trans-155.4116.2148.5-109.7-1.7000111.6
119C43.5Very low43.9Very low112 Ų112160.9 Ų160.976%0.75779%0.789SS**  trans-65.9136.6165.3-70.60000110.2
120H47.5Very low43.9Very low159 Ų159162.7 Ų162.774%0.73678%0.78SS**  trans-12795161-75.1-55.8000110.1
121H44.2Very low43.8Very low189 Ų189162.1 Ų162.188%0.87578%0.781SS**  trans-68.6123.5156.2-74.1-65.4000108.3
122K49.9Very low43.9Very low200 Ų200163.8 Ų163.887%0.8777%0.773SS**  trans-108.7130.9165.8-79.3-167.1173.7-176.50111.1
123S47.6Very low43.8Very low109 Ų109160.6 Ų160.676%0.76277%0.769SS**  trans-61.7146.5-168.3177.20000114.9H125S123-H125 PolarHBondContact O-N 2.91Å
124K48.5Very low43.7Very low203 Ų203159.7 Ų159.788%0.88377%0.765SS**  trans-74.1114.1164.8-71.2-174176.1-179.30109.5R126K124-R126 PolarHBondContact O-N 2.97Å
125H46.6Very low43.4Very low161 Ų161160.9 Ų160.975%0.74578%0.775SS**  trans-79.7107.3166.3-112.1-74.7000109.9S123 H127S123-H125 PolarHBondContact O-N 2.91Å; H125-H127 AromaticContact ND1-NE2 3.87Å
126R43.9Very low43.4Very low215 Ų215159.5 Ų159.581%0.81177%0.773SS**  trans-80.4117.9157.5-79.1-173.9173.6-165.3-0.8107.8K124K124-R126 PolarHBondContact O-N 2.97Å
127H45Very low43.2Very low172 Ų172159.9 Ų159.980%0.79677%0.77SS**  trans-92.595.2160.8-86.7-78.9000108.7H125H125-H127 AromaticContact ND1-NE2 3.87Å
128H45.5Very low43.2Very low146 Ų146156.9 Ų156.968%0.67677%0.766SS**  trans-89.9158.9150.6-98.6-65.3000108.3
129N42.4Very low43.2Very low124 Ų124158.8 Ų158.866%0.66377%0.768SS**  trans94.9136171.5-59-29.5000114.2
130R41.1Very low42.9Very low178 Ų178159.2 Ų159.267%0.67277%0.771SS**  cis-164.3136-2.7-112164.2-159.7-171.3-1.2104.7F132R130-F132 HydrophobicContact CB-CD2 3.99Å; R130-F132 HydrophobicContact CB-CE2 4.06Å; R130-F132 HydrophobicContact CG-CE2 4.33Å; R130-F132 PolarHBondContact O-N 3.31Å
131I39.8Very low42.6Very low164 Ų164155.4 Ų155.484%0.84177%0.774SS**  trans-67125.3160.4-63.1165.5000106.3
132F42.5Very low42.3Very low156 Ų156157.4 Ų157.468%0.68478%0.775SS**  trans-131.6119161.8-90.2-78.4000107.4R130R130-F132 HydrophobicContact CB-CD2 3.99Å; R130-F132 HydrophobicContact CB-CE2 4.06Å; R130-F132 HydrophobicContact CG-CE2 4.33Å; R130-F132 PolarHBondContact O-N 3.31Å
133P40.5Very low41.8Very low120 Ų120151.2 Ų151.278%0.77977%0.768SS**  trans-88.9122.6155.432.2-21.5000107.3
134H39.2Very low41.5Very low152 Ų152152.4 Ų152.470%0.70477%0.771SS**  trans-122.9102.3172.4-159.6-71.1000108.7M136H134-M136 VanDerWaalsContact CE1-CG 3.43Å; H134-M136 WeakPolarHBondContact CE1-CG 3.28Å; H134-M136 WeakPolarHBondContact ND1-CG 3.39Å; H134-M136 PolarHBondContact O-N 2.99Å
135D37.6Very low41.1Very low147 Ų147148.2 Ų148.279%0.78677%0.767SS**  trans-55.5125.5157.3-103.7-32.1000108.8
136M40.2Very low40.7Very low143 Ų143145.5 Ų145.570%0.70477%0.766SS**  trans-13097.8155-74.3-147.767.800108.4H134H134-M136 VanDerWaalsContact CE1-CG 3.43Å; H134-M136 WeakPolarHBondContact CE1-CG 3.28Å; H134-M136 WeakPolarHBondContact ND1-CG 3.39Å; H134-M136 PolarHBondContact O-N 2.99Å
137V38.4Very low40.4Very low124 Ų124139.9 Ų139.975%0.75276%0.76SS**  trans-71.1118.8156174.70000107.1
138E43.4Very low39.9Very low177 Ų177137.1 Ų137.183%0.82776%0.759SS**  trans-130.2131.7160.3-151.2171.2-162.400110.2
139K40.4Very low39.5Very low184 Ų184136.4 Ų136.480%0.877%0.765SS**  trans-78.9164.7-166.4-78.1174.6169.5176.40113.4
140C36.7Very low39.3Very low121 Ų121136.1 Ų136.182%0.81877%0.767SS**  trans107.1113.3143.2-86.80000117.8
141G41.1Very low39.4Very low78 Ų78133.5 Ų133.580%0.80477%0.773SS**  trans176.985.6163.300000111.1
142Y38Very low39.2Very low231 Ų231132.1 Ų132.191%0.90677%0.768SS**  trans-60.4140.2178.9-80-101.3000112.8
143G40.4Very low39.2Very low70 Ų70130 Ų13072%0.72277%0.772SS**  trans-175.653.9178.500000116.5
144V39.8Very low39.1Very low134 Ų134131.1 Ų131.181%0.81277%0.772SS**  trans49.8118.5140.2-163.10000120.9
145S40.2Very low39.1Very low116 Ų116131.3 Ų131.381%0.81178%0.778SS**  trans77.9133.5152.3-65.50000118.6
146S39.7Very low39Very low104 Ų104127.3 Ų127.373%0.72777%0.771SS**  cis-162.3144.414.154.10000112.5
147S37.1Very low38.8Very low97 Ų97128.6 Ų128.668%0.67878%0.775SS**  trans56.5107.914377.80000119.2
148C33.7Very low38.8Very low113 Ų113130 Ų13076%0.76477%0.774SS**  111.3131.983.462.80000107.8
149T37.2Very low38.2Very low131 Ų131130.4 Ų130.480%0.80478%0.781SS**  cis-162.8141.728.7-47.20000108
150V38.6Very low37.9Very low119 Ų119125.5 Ų125.572%0.72177%0.769SS**  trans-112.6156.3168.3-167.80000107.3N152V150-N152 HydrophobicContact CG1-CB 4.26Å
151P43.7Very low37.6Very low123 Ų123125.5 Ų125.580%0.79977%0.771SS**  -143.5128.597.833.5-16.1000112.3
152N34.5Very low37.1Very low135 Ų135127.7 Ų127.772%0.72276%0.763SS**  74108.871.9-142.128.3000114.6V150V150-N152 HydrophobicContact CG1-CB 4.26Å
153S42Very low36.7Very low112 Ų112124 Ų12478%0.78376%0.757SS**  trans172.599.5140.541.20000107.9
154N38.6Very low36.4Very low143 Ų143127 Ų12777%0.76576%0.756SS**  73141.487.4-99.76.1000115.7
155D41Very low36Very low155 Ų155128.2 Ų128.283%0.82976%0.758SS**  trans84111.3178.8-56.4-17.9000114.3
156G34.7Very low35.6Very low63 Ų63127.1 Ų127.165%0.64975%0.75SS**  cis107.3121.625.500000108.8
157H36.3Very low35.2Very low170 Ų170128 Ų12879%0.78775%0.754SS**  trans93.6116.2162.8-65.8-90.1000120.1
158E37.5Very low35Very low154 Ų154129.7 Ų129.772%0.7276%0.762SS**  92.890128.7-72.9171-158.400119.6S160E158-S160 PolarHBondContact O-N 2.83Å
159L31.9Very low35Very low186 Ų186127.6 Ų127.697%0.97476%0.76SS**  trans-37.1105.7138.3-67167.1000110.9
160S34.2Very low34.7Very low80 Ų80131.7 Ų131.756%0.55977%0.766SS**  trans-143.8122.2161.243.90000109.4E158 I162E158-S160 PolarHBondContact O-N 2.83Å; S160-I162 PolarHBondContact O-N 3.31Å
161S28.8Very low34.8Very low122 Ų122135.3 Ų135.385%0.85377%0.772SS**  trans-44.9111.9167.844.70000111.4
162I31.7Very low34.1Very low123 Ų123135.8 Ų135.863%0.63177%0.773SS**  trans-119.1101.2170.4-65176.3000108.3S160 L164S160-I162 PolarHBondContact O-N 3.31Å; I162-L164 HydrophobicContact CG2-CB 4.13Å; I162-L164 HydrophobicContact CG2-CD1 3.36Å; I162-L164 HydrophobicContact CG2-CG 3.4Å; I162-L164 PolarHBondContact O-N 3.08Å
163I28.7Very low34.2Very low155 Ų155133.8 Ų133.880%0.79577%0.77SS**  trans-62.7106.8156.8-62.8168.4000105.7
164L34.8Very low34.1Very low133 Ų133135.8 Ų135.870%0.69677%0.77SS**  trans-120.8101.4171.3-96.2164.2000109.2I162 S166I162-L164 HydrophobicContact CG2-CB 4.13Å; I162-L164 HydrophobicContact CG2-CD1 3.36Å; I162-L164 HydrophobicContact CG2-CG 3.4Å; I162-L164 PolarHBondContact O-N 3.08Å; L164-S166 PolarHBondContact O-N 3.27Å
165N31.1Very low33.8Very low158 Ų158133.5 Ų133.585%0.84577%0.771SS**  trans-64.4102.9159.5-65.1-40.5000108
166S31.8Very low33.4Very low93 Ų93134.2 Ų134.265%0.6577%0.769SS**  trans-143.1124.7169.761.70000111.3L164L164-S166 PolarHBondContact O-N 3.27Å
167P30.2Very low33.2Very low124 Ų124136 Ų13681%0.80577%0.772SS**  trans-69.6169.8171-12.128.4000112.5
168P34.3Very low33.1Very low132 Ų132137.3 Ų137.386%0.85778%0.778SS**  trans-84120.5-135.132.7-35.3000114.2
169G32.4Very low32.9Very low69 Ų69134 Ų13471%0.71177%0.772SS**  trans-104.3111.4173.500000111.8K171G169-K171 PolarHBondContact O-N 3.33Å
170K31.9Very low32.8Very low217 Ų217128.6 Ų128.694%0.94376%0.762SS**  trans-50.3106.5170.5-68.9173.9177.7177.10110.8
171K40.6Very low33.2Very low195 Ų195129.1 Ų129.185%0.84876%0.762SS**  trans-138.298.5162.2-71.1-171.8179.6178.20108.7G169 S173G169-K171 PolarHBondContact O-N 3.33Å; K171-S173 PolarHBondContact O-N 2.98Å
172T29.9Very low33.9Very low132 Ų132127.2 Ų127.281%0.8175%0.748SS**  trans-59.5107170.544.30000110
173S36.7Very low35Very low93 Ų93126.8 Ų126.865%0.6575%0.752SS**  trans-88.7114164.955.30000109.5K171 A175K171-S173 PolarHBondContact O-N 2.98Å; S173-A175 PolarHBondContact O-N 3.3Å
174I38.6Very low36.6Very low155 Ų155119.9 Ų119.980%0.79572%0.717SS**THydrogen-bonded Turntrans-75.353.4-177.4-63.6160000110.4
175A32.8Very low37.9Very low94 Ų94118.8 Ų118.878%0.77772%0.717SS**THydrogen-bonded Turntrans-138.11.5-179.100000114.6S173S173-A175 PolarHBondContact O-N 3.3Å
176E33.2Very low39.5Very low170 Ų170114 Ų11479%0.79471%0.705SS**SBendtrans-103.21178.1-125.9169-177.900113Q178E176-Q178 VanDerWaalsContact C-N 3.29Å; E176-Q178 PolarHBondContact O-N 3.06Å
177S30.7Very low41.6Very low101 Ų101111.6 Ų111.671%0.70668%0.684SS**THydrogen-bonded Turntrans-81.99.7-166.9-27.70000115.7
178Q33.4Very low43.8Very low198 Ų198110.4 Ų110.493%0.92567%0.668SS**THydrogen-bonded Turntrans-120.44.4-177.9-69-168.516.700115E176E176-Q178 VanDerWaalsContact C-N 3.29Å; E176-Q178 PolarHBondContact O-N 3.06Å
179S32.7Very low46Very low83 Ų83109.5 Ų109.558%0.5865%0.652SS**SBendtrans-101.8104.6163.7-149.50000107.9T181S179-T181 PolarHBondContact O-N 3.36Å
180G31Very low48.1Very low74 Ų74108 Ų10876%0.76363%0.627SS**  trans-65.670.2172.700000110.8S182G180-S182 PolarHBondContact O-N 3.48Å
181T42.4Very low50Low91 Ų91103.1 Ų103.156%0.55861%0.607SS**  trans-79.393.116851.40000106.4S179 T183S179-T181 PolarHBondContact O-N 3.36Å; T181-T183 PolarHBondContact O-N 3.09Å
182S43.1Very low51.1Low81 Ų8194.4 Ų94.457%0.56657%0.571SS**  trans-5497.4154.8176.60000106.2G180 V184 M187G180-S182 PolarHBondContact O-N 3.48Å; S182-V184 PolarHBondContact O-N 3.42Å; S182-M187 WeakPolarHBondContact O-CE 3.09Å
183T55.3Low52.4Low115 Ų11596.7 Ų96.771%0.70657%0.565SS**  trans-79.975.7-175.3330000108.1T181 P185T181-T183 PolarHBondContact O-N 3.09Å; T183-P185 WeakPolarHBondContact O-CD 3.41Å
184V62Low52.8Low10 Ų10101 Ų1016%0.06158%0.575CS.*  trans-62.3124.6169.3-165.30000107.9A23 A26 L27 S182 G186 M187A23-V184 VanDerWaalsContact CA-CG1 3.41Å; A23-V184 HydrophobicContact CB-CB 4.02Å; A23-V184 HydrophobicContact CB-CG1 3.18Å; A26-V184 HydrophobicContact CB-CG1 3.75Å; A26-V184 HydrophobicContact CB-CG2 4.03Å; L27-V184 HydrophobicContact CD2-CG2 3.88Å; L27-V184 HydrophobicContact CG-CG2 4.08Å; S182-V184 PolarHBondContact O-N 3.42Å; V184-G186 PolarHBondContact O-N 3.49Å; V184-M187 HydrophobicContact CB-CB 4.23Å; V184-M187 HydrophobicContact CG2-CE 4.44Å; V184-M187 VanDerWaalsContact O-CB 3.25Å; V184-M187 WeakPolarHBondContact O-CB 3.45Å; V184-M187 PolarHBondContact O-N 3.37Å
185P62.4Low53.4Low110 Ų110100.8 Ų100.871%0.71457%0.568SS**THydrogen-bonded Turntrans-52.3130-176.7-28.735.6000112.1P20 T183 M187P20-P185 WeakPolarHBondContact CG-O 2.82Å; T183-P185 WeakPolarHBondContact O-CD 3.41Å; P185-M187 VanDerWaalsContact C-N 3.27Å; P185-M187 PolarHBondContact O-N 3.09Å
186G65Low54.2Low57 Ų57102.5 Ų102.559%0.58856%0.562SS**THydrogen-bonded Turntrans82.5-8.6-179.200000115.5V184 H188V184-G186 PolarHBondContact O-N 3.49Å; G186-H188 PolarHBondContact O-ND1 3.31Å
187M74.6Confident55.3Low43 Ų4396.2 Ų96.221%0.21253%0.534CS..  trans-72.9131.1172.8-172.9177.964.900110.7F17 V18 A19 L27 S182 V184 P185 F217F17-M187 HydrophobicContact CB-CG 4.31Å; F17-M187 HydrophobicContact CB-SD 4.45Å; F17-M187 HydrophobicContact CD1-CG 4.17Å; F17-M187 HydrophobicContact CD1-SD 4.13Å; F17-M187 HydrophobicContact CG-SD 4.43Å; V18-M187 VanDerWaalsContact O-CA 3.32Å; V18-M187 WeakPolarHBondContact O-CA 3.37Å; A19-M187 HydrophobicContact CB-CG 4.46Å; L27-M187 HydrophobicContact CD1-SD 4.1Å; L27-M187 HydrophobicContact CD2-CE 4.44Å; L27-M187 HydrophobicContact CD2-SD 3.85Å; S182-M187 WeakPolarHBondContact O-CE 3.09Å; V184-M187 HydrophobicContact CB-CB 4.23Å; V184-M187 HydrophobicContact CG2-CE 4.44Å; V184-M187 VanDerWaalsContact O-CB 3.25Å; V184-M187 WeakPolarHBondContact O-CB 3.45Å; V184-M187 PolarHBondContact O-N 3.37Å; P185-M187 VanDerWaalsContact C-N 3.27Å; P185-M187 PolarHBondContact O-N 3.09Å; M187-F217 HydrophobicContact SD-CD1 4.37Å; M187-F217 HydrophobicContact SD-CE1 3.96Å
188H76.1Confident56.6Low98 Ų9898.9 Ų98.945%0.45454%0.535SS..EExtended strand (participates in β ladder)trans-141.3142.3174.160.1-79.8000111.5F17 V18 G186F17-H188 WeakPolarHBondContact CA-O 3.29Å; V18-H188 PolarHBondContact N-O 3.42Å; V18-H188 PolarHBondContact O-N 3.07Å; G186-H188 PolarHBondContact O-ND1 3.31Å
189Q81.9Confident57.9Low114 Ų11492.7 Ų92.753%0.53351%0.508SS..EExtended strand (participates in β ladder)trans-78.6132.1177.5-169.8178.9-8.500110.4I16 F17 H191I16-Q189 CarbonylContact O-C 3.55Å; I16-Q189 WeakPolarHBondContact O-CA 3.28Å; I16-Q189 WeakPolarHBondContact O-CG 3.5Å; F17-Q189 HydrophobicContact CD1-CB 3.86Å; F17-Q189 HydrophobicContact CD1-CG 4.25Å; F17-Q189 HydrophobicContact CE1-CB 3.67Å; F17-Q189 HydrophobicContact CE1-CG 3.89Å; F17-Q189 HydrophobicContact CZ-CB 4.4Å; F17-Q189 HydrophobicContact CZ-CG 4.13Å; Q189-H191 PolarHBondContact O-N 2.78Å
190I75.2Confident58.9Low36 Ų3692.9 Ų92.919%0.18551%0.509CS..EExtended strand (participates in β ladder)trans-80.7113.6172-53.9175.6000108.4I16 V18 C192 L197 L218I16-I190 HydrophobicContact CB-CB 4.37Å; I16-I190 HydrophobicContact CG2-CB 4.48Å; I16-I190 HydrophobicContact CG2-CD1 3.74Å; I16-I190 HydrophobicContact CG2-CG1 4.38Å; I16-I190 PolarHBondContact O-N 3.06Å; V18-I190 HydrophobicContact CG2-CD1 3.41Å; V18-I190 VanDerWaalsContact CG2-CD1 3.41Å; V18-I190 HydrophobicContact CG2-CG1 3.65Å; I190-C192 PolarHBondContact O-N 2.92Å; I190-C192 PolarHBondContact O-SG 2.96Å; I190-C192 VanDerWaalsContact O-SG 3.36Å; I190-L197 HydrophobicContact CD1-CD1 4.45Å; I190-L218 HydrophobicContact CD1-CD1 3.71Å
191H71.3Confident60Low115 Ų115100 Ų10053%0.53251%0.513SS..  trans-77.3102.7172.3-164.165.2000110.3Q189 R193Q189-H191 PolarHBondContact O-N 2.78Å; H191-R193 PolarHBondContact CE1-NE 3.12Å; H191-R193 WeakPolarHBondContact NE2-CD 3.36Å; H191-R193 WeakPolarHBondContact NE2-CG 3.34Å; H191-R193 PolarHBondContact NE2-NE 2.81Å; H191-R193 PolarHBondContact O-N 3.37Å
192C65.1Low60.5Low12 Ų1299.5 Ų99.58%0.08151%0.505CS..  trans-86.43.3-170.2-61.20000114.8I190 H194 K195I190-C192 PolarHBondContact O-N 2.92Å; I190-C192 PolarHBondContact O-SG 2.96Å; I190-C192 VanDerWaalsContact O-SG 3.36Å; C192-H194 PolarHBondContact O-N 3.31Å; C192-K195 PolarHBondContact O-N 3.23Å
193R56.1Low60.7Low181 Ų18199.9 Ų99.968%0.68351%0.505SS*.THydrogen-bonded Turntrans-48.1-23-168.8-83.3-166.5-174.1159.3-5.7115.7H191H191-R193 PolarHBondContact CE1-NE 3.12Å; H191-R193 WeakPolarHBondContact NE2-CD 3.36Å; H191-R193 WeakPolarHBondContact NE2-CG 3.34Å; H191-R193 PolarHBondContact NE2-NE 2.81Å; H191-R193 PolarHBondContact O-N 3.37Å
194H44.9Very low60.6Low184 Ų184100.8 Ų100.885%0.85250%0.499SS*.THydrogen-bonded Turntrans-144.922.2174.4-58.598.2000113.2C192C192-H194 PolarHBondContact O-N 3.31Å
195K51.3Low60.1Low149 Ų149106 Ų10665%0.64852%0.521SS*.  trans-125110.9-172.3-67.6-174.2179.8-179.10110.7C192 L197C192-K195 PolarHBondContact O-N 3.23Å; K195-L197 PolarHBondContact O-N 3.21Å
196I50.4Low59.8Low130 Ų130108.8 Ų108.867%0.66752%0.522SS*.  trans-69.5114.1163.1-59.4172.8000106.6H198I196-H198 PolarHBondContact O-N 3.25Å
197L56.4Low59.8Low39 Ų39110.6 Ų110.620%0.20452%0.518CS..  trans-68.3103.5165.3-173.976000108.1M1 I190 K195 L199 L218M1-L197 HydrophobicContact CB-CB 4.41Å; M1-L197 HydrophobicContact CB-CD2 4.38Å; M1-L197 PolarHBondContact N-O 3.19Å; M1-L197 VanDerWaalsContact O-CB 3.23Å; M1-L197 WeakPolarHBondContact O-CB 3.41Å; I190-L197 HydrophobicContact CD1-CD1 4.45Å; K195-L197 PolarHBondContact O-N 3.21Å; L197-L199 HydrophobicContact CD2-CD1 4.08Å; L197-L199 HydrophobicContact CD2-CD2 3.79Å; L197-L199 HydrophobicContact CD2-CG 3.83Å; L197-L199 HydrophobicContact CG-CD2 4.02Å; L197-L199 HydrophobicContact CG-CG 4.05Å; L197-L199 PolarHBondContact O-N 3.19Å; L197-L218 HydrophobicContact CD1-CD1 3.87Å; L197-L218 HydrophobicContact CD2-CD1 3.64Å; L197-L218 HydrophobicContact CD2-CD2 4.19Å; L197-L218 HydrophobicContact CD2-CG 4.44Å; L197-L218 HydrophobicContact CG-CD1 4.39Å
198H57Low59.4Low157 Ų157111.9 Ų111.973%0.72753%0.528SS*.  trans-84.2100.3171.8-166.7-94.4000108.6I196 S200I196-H198 PolarHBondContact O-N 3.25Å; H198-S200 PolarHBondContact O-N 2.92Å
199L62.2Low59.1Low68 Ų68110.2 Ų110.236%0.35653%0.525SS..  trans-84.395.8171.4-67176000107.8M1 L197 L207 L218M1-L199 HydrophobicContact SD-CD1 3.88Å; L197-L199 HydrophobicContact CD2-CD1 4.08Å; L197-L199 HydrophobicContact CD2-CD2 3.79Å; L197-L199 HydrophobicContact CD2-CG 3.83Å; L197-L199 HydrophobicContact CG-CD2 4.02Å; L197-L199 HydrophobicContact CG-CG 4.05Å; L197-L199 PolarHBondContact O-N 3.19Å; L199-L207 HydrophobicContact CD2-CD2 3.65Å; L199-L218 HydrophobicContact CD2-CD2 4.2Å
200S53Low58.3Low87 Ų87105.8 Ų105.861%0.60851%0.507SS*.  trans-83.1123.9170.854.40000109.6H198 H202H198-S200 PolarHBondContact O-N 2.92Å; S200-H202 PolarHBondContact O-N 2.76Å
201W53.4Low58Low223 Ų223108.1 Ų108.185%0.84552%0.519SS*.  trans-64.6125.8169.3-179.662.9000109.6P203W201-P203 HydrophobicContact CH2-CB 4.38Å
202H54Low57.9Low81 Ų81105.4 Ų105.438%0.37551%0.513SS..BIsolated β-bridgetrans-109.3126171.7-171.3-86.1000108.2S200 K204 K205S200-H202 PolarHBondContact O-N 2.76Å; H202-K204 PolarHBondContact ND1-N 2.73Å; H202-K204 PolarHBondContact O-N 2.89Å; H202-K205 HydrophobicContact CB-CB 3.95Å; H202-K205 WeakPolarHBondContact ND1-CG 3.42Å; H202-K205 PolarHBondContact ND1-N 2.78Å; H202-K205 VanDerWaalsContact ND1-N 3.16Å; H202-K205 PolarHBondContact O-N 2.93Å
203P47.3Very low58.3Low88 Ų88108.1 Ų108.157%0.57154%0.544SS*.THydrogen-bonded Turntrans-63.4-16.6-170.825.4-35.4000113.7W201W201-P203 HydrophobicContact CH2-CB 4.38Å
204K52.5Low59.3Low134 Ų134103.1 Ų103.158%0.58353%0.531SS*.THydrogen-bonded Turntrans-115-18.4-176.7-75.1-168.9179.5-169.30113.7H202 F225H202-K204 PolarHBondContact ND1-N 2.73Å; H202-K204 PolarHBondContact O-N 2.89Å; K204-F225 HydrophobicContact CB-CE1 3.56Å; K204-F225 HydrophobicContact CB-CZ 3.59Å; K204-F225 HydrophobicContact CD-CE1 4.31Å; K204-F225 HydrophobicContact CG-CE1 4.32Å; K204-F225 WeakPolarHBondContact O-CE1 3.15Å; K204-F225 WeakPolarHBondContact O-CZ 3.06Å
205K52.2Low60.8Low121 Ų12199.5 Ų99.553%0.52651%0.509SS..BIsolated β-bridgetrans-113109.4-174.5-66.5176.8179.7-179.10108H202 F225H202-K205 HydrophobicContact CB-CB 3.95Å; H202-K205 WeakPolarHBondContact ND1-CG 3.42Å; H202-K205 PolarHBondContact ND1-N 2.78Å; H202-K205 VanDerWaalsContact ND1-N 3.16Å; H202-K205 PolarHBondContact O-N 2.93Å; K205-F225 HydrophobicContact CG-CE2 3.98Å; K205-F225 HydrophobicContact CG-CZ 3.82Å
206F56.9Low62.2Low168 Ų16892.6 Ų92.674%0.73748%0.48SS*.  trans-78.5120.5172.9-63.8-83.1000108.5
207L63.7Low63.4Low95 Ų9587 Ų8750%0.49745%0.45SS..  trans-92.9116167.1-175.870000107L199 V209 L218L199-L207 HydrophobicContact CD2-CD2 3.65Å; L207-V209 HydrophobicContact CD2-CG2 4.09Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; L207-L218 HydrophobicContact CD2-CD2 4.32Å
208T65.7Low64.4Low70 Ų7085.8 Ų85.843%0.42944%0.444SS..EExtended strand (participates in β ladder)trans-76.3129.2173.7-600000108.1V219T208-V219 HydrophobicContact CG2-CB 3.98Å; T208-V219 HydrophobicContact CG2-CG1 4.36Å; T208-V219 HydrophobicContact CG2-CG2 4.25Å; T208-V219 WeakPolarHBondContact O-CA 3.45Å; T208-V219 WeakPolarHBondContact O-CB 3.05Å; T208-V219 PolarHBondContact O-N 2.74Å
209V69.8Low65Low63 Ų6378.3 Ų78.338%0.38241%0.41SS..EExtended strand (participates in β ladder)trans-129129.6178.5-178.50000107.5L207 L216 F217 L218L207-V209 HydrophobicContact CD2-CG2 4.09Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; V209-L216 HydrophobicContact CG1-CD1 3.32Å; V209-L216 HydrophobicContact CG1-CG 4.06Å; V209-F217 CarbonylContact C-O 3.57Å; V209-F217 WeakPolarHBondContact CA-O 3.32Å; V209-L218 HydrophobicContact CG1-CD2 4.22Å; V209-L218 HydrophobicContact CG2-CD2 3.91Å
210A65.5Low65.1Low20 Ų2077.8 Ų77.817%0.16541%0.412CS..EExtended strand (participates in β ladder)trans-118.4147.5175.300000109.9F28 F217F28-A210 HydrophobicContact CE2-CB 3.99Å; F28-A210 HydrophobicContact CZ-CB 4.01Å; A210-F217 HydrophobicContact CB-CB 4.29Å; A210-F217 PolarHBondContact N-O 3.01Å; A210-F217 PolarHBondContact O-N 3.38Å
211I69.6Low65.1Low85 Ų8575 Ų7544%0.43640%0.396SS..EExtended strand (participates in β ladder)trans-120.8129.2174.5-62172.5000107.2R215 L216I211-R215 WeakPolarHBondContact CA-O 3.31Å; I211-L216 HydrophobicContact CD1-CD1 4.01Å; I211-L216 HydrophobicContact CG1-CD1 3.47Å; I211-L216 VanDerWaalsContact CG1-CD1 3.47Å
212S69.2Low65Low58 Ų5872.4 Ų72.441%0.40639%0.394SS..EExtended strand (participates in β ladder)trans-130.8113.6171.1-177.80000109N214 R215S212-N214 PolarHBondContact O-N 2.96Å; S212-R215 PolarHBondContact N-O 3.07Å; S212-R215 WeakPolarHBondContact O-CB 3.19Å; S212-R215 PolarHBondContact O-N 3.27Å
213G73.3Confident64.4Low70 Ų7072.6 Ų72.672%0.72240%0.402SS*.THydrogen-bonded Turntrans55.4-124.4-17200000111.9R215G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.44Å
214N76.6Confident64.1Low76 Ų7674.1 Ų74.141%0.40641%0.41SS..THydrogen-bonded Turntrans-89.817.8176.860.56000113.5G12 L13 S14 S15 S212G12-N214 WeakPolarHBondContact O-CB 3.44Å; L13-N214 CarbonylContact C-O 3.53Å; L13-N214 WeakPolarHBondContact CA-O 3.13Å; S14-N214 WeakPolarHBondContact CB-ND2 3.49Å; S14-N214 PolarHBondContact N-O 3.39Å; S14-N214 PolarHBondContact OG-ND2 3Å; S14-N214 VanDerWaalsContact OG-ND2 3.12Å; S14-N214 PolarHBondContact OG-O 3.17Å; S14-N214 PolarHBondContact OG-OD1 2.95Å; S14-N214 VanDerWaalsContact OG-OD1 3.13Å; S15-N214 PolarHBondContact N-O 3.28Å; S212-N214 PolarHBondContact O-N 2.96Å
215R77.9Confident63.7Low107 Ų10771.7 Ų71.740%0.40440%0.399SS..EExtended strand (participates in β ladder)trans-117.9128.8-174.5-51.8-174.3169.8-179.20.8110.7S15 F17 I211 S212 G213 F217S15-R215 WeakPolarHBondContact O-CA 2.96Å; S15-R215 WeakPolarHBondContact OG-CG 3.4Å; F17-R215 HydrophobicContact CD2-CB 4.19Å; F17-R215 HydrophobicContact CE2-CB 3.98Å; F17-R215 HydrophobicContact CE2-CG 4.02Å; I211-R215 WeakPolarHBondContact CA-O 3.31Å; S212-R215 PolarHBondContact N-O 3.07Å; S212-R215 WeakPolarHBondContact O-CB 3.19Å; S212-R215 PolarHBondContact O-N 3.27Å; G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.44Å; R215-F217 HydrophobicContact CB-CD2 4.47Å; R215-F217 HydrophobicContact CB-CE2 3.59Å; R215-F217 HydrophobicContact CB-CZ 3.87Å
216L79Confident63Low5 Ų570.7 Ų70.73%0.02641%0.408CS..EExtended strand (participates in β ladder)trans-98.4131.7173-17570.9000109.5L13 S15 I16 F17 V209 I211 L218L13-L216 HydrophobicContact CD1-CB 4.13Å; L13-L216 HydrophobicContact CD1-CD2 4.25Å; L13-L216 HydrophobicContact CD2-CB 4.09Å; S15-L216 PolarHBondContact O-N 3.01Å; I16-L216 CarbonylContact C-O 3.52Å; I16-L216 VanDerWaalsContact CA-O 3.28Å; I16-L216 WeakPolarHBondContact CA-O 3.44Å; I16-L216 HydrophobicContact CB-CB 4.47Å; I16-L216 HydrophobicContact CD1-CD2 4.18Å; I16-L216 HydrophobicContact CG1-CB 4.13Å; I16-L216 HydrophobicContact CG1-CD2 4.31Å; I16-L216 HydrophobicContact CG2-CB 4.24Å; I16-L216 HydrophobicContact CG2-CD2 4.11Å; I16-L216 HydrophobicContact CG2-CG 4.38Å; F17-L216 PolarHBondContact N-O 3.02Å; V209-L216 HydrophobicContact CG1-CD1 3.32Å; V209-L216 HydrophobicContact CG1-CG 4.06Å; I211-L216 HydrophobicContact CD1-CD1 4.01Å; I211-L216 HydrophobicContact CG1-CD1 3.47Å; I211-L216 VanDerWaalsContact CG1-CD1 3.47Å; L216-L218 HydrophobicContact CD2-CD2 4.34Å
217F76.7Confident62.1Low11 Ų1168.4 Ų68.45%0.04840%0.403CS..EExtended strand (participates in β ladder)trans-116116.6177.4-60.2-95.4000109.3F17 L27 M187 V209 A210 R215F17-F217 HydrophobicContact CB-CD1 3.62Å; F17-F217 HydrophobicContact CB-CE1 3.91Å; F17-F217 HydrophobicContact CB-CG 4.41Å; F17-F217 HydrophobicContact CD2-CD1 4.24Å; F17-F217 AromaticContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CZ 4.09Å; F17-F217 HydrophobicContact CG-CD1 4.15Å; F17-F217 AromaticContact CG-CE1 3.91Å; F17-F217 HydrophobicContact CG-CE1 3.91Å; F17-F217 CarbonylContact O-C 3.46Å; F17-F217 WeakPolarHBondContact O-CA 3.45Å; L27-F217 HydrophobicContact CD1-CD1 3.61Å; L27-F217 HydrophobicContact CD1-CE1 3.75Å; L27-F217 HydrophobicContact CD1-CG 4.39Å; L27-F217 HydrophobicContact CD2-CE1 4Å; M187-F217 HydrophobicContact SD-CD1 4.37Å; M187-F217 HydrophobicContact SD-CE1 3.96Å; V209-F217 CarbonylContact C-O 3.57Å; V209-F217 WeakPolarHBondContact CA-O 3.32Å; A210-F217 HydrophobicContact CB-CB 4.29Å; A210-F217 PolarHBondContact N-O 3.01Å; A210-F217 PolarHBondContact O-N 3.38Å; R215-F217 HydrophobicContact CB-CD2 4.47Å; R215-F217 HydrophobicContact CB-CE2 3.59Å; R215-F217 HydrophobicContact CB-CZ 3.87Å
218L77Confident60.8Low14 Ų1469.9 Ų69.97%0.07342%0.416CS..EExtended strand (participates in β ladder)trans-88.2113170-55.4177.4000107.7I16 F17 V18 A19 I190 L197 L199 L207 V209 L216I16-L218 HydrophobicContact CG2-CD1 4.29Å; I16-L218 HydrophobicContact CG2-CG 4.27Å; F17-L218 PolarHBondContact O-N 3.31Å; V18-L218 WeakPolarHBondContact CA-O 3.29Å; V18-L218 HydrophobicContact CG2-CB 4.43Å; V18-L218 HydrophobicContact CG2-CD1 4.43Å; A19-L218 PolarHBondContact N-O 3.17Å; I190-L218 HydrophobicContact CD1-CD1 3.71Å; L197-L218 HydrophobicContact CD1-CD1 3.87Å; L197-L218 HydrophobicContact CD2-CD1 3.64Å; L197-L218 HydrophobicContact CD2-CD2 4.19Å; L197-L218 HydrophobicContact CD2-CG 4.44Å; L197-L218 HydrophobicContact CG-CD1 4.39Å; L199-L218 HydrophobicContact CD2-CD2 4.2Å; L207-L218 HydrophobicContact CD2-CD2 4.32Å; V209-L218 HydrophobicContact CG1-CD2 4.22Å; V209-L218 HydrophobicContact CG2-CD2 3.91Å; L216-L218 HydrophobicContact CD2-CD2 4.34Å
219V70.4Confident59.5Low1 Ų173.2 Ų73.21%0.00643%0.431CS..EExtended strand (participates in β ladder)trans-97.6115.5-176.8-178.90000108.2A19 L21 V24 T208 G221A19-V219 WeakPolarHBondContact O-CA 3.48Å; L21-V219 HydrophobicContact CB-CG1 4.15Å; L21-V219 HydrophobicContact CD1-CG1 3.62Å; V24-V219 HydrophobicContact CG2-CB 4.05Å; V24-V219 HydrophobicContact CG2-CG1 3.48Å; V24-V219 VanDerWaalsContact CG2-CG1 3.48Å; V24-V219 HydrophobicContact CG2-CG2 3.38Å; T208-V219 HydrophobicContact CG2-CB 3.98Å; T208-V219 HydrophobicContact CG2-CG1 4.36Å; T208-V219 HydrophobicContact CG2-CG2 4.25Å; T208-V219 WeakPolarHBondContact O-CA 3.45Å; T208-V219 WeakPolarHBondContact O-CB 3.05Å; T208-V219 PolarHBondContact O-N 2.74Å; V219-G221 VanDerWaalsContact C-N 3.32Å; V219-G221 PolarHBondContact O-N 2.95Å
220S63.1Low57.8Low57 Ų5775.6 Ų75.640%0.39945%0.447SS..EExtended strand (participates in β ladder)trans-72.890.9173.166.20000109A19A19-S220 PolarHBondContact O-N 3.26Å; A19-S220 VanDerWaalsContact O-N 3.12Å
221G53.3Low56.4Low28 Ų2879.9 Ų79.929%0.28948%0.476SS..  trans-66.2138.9166.500000109.7V219V219-G221 VanDerWaalsContact C-N 3.32Å; V219-G221 PolarHBondContact O-N 2.95Å
222Q50.4Low54.8Low169 Ų16983.9 Ų83.979%0.7949%0.493SS*.  trans-57.9137.6159.4-78.5-153.3-3.700108T224Q222-T224 PolarHBondContact O-N 2.74Å
223P42.4Very low53.3Low84 Ų8490.3 Ų90.355%0.54551%0.514SS..  trans-61.6107.2172.824.8-30.6000108.1F225P223-F225 HydrophobicContact CB-CD2 3.62Å; P223-F225 HydrophobicContact CB-CE2 3.63Å; P223-F225 PolarHBondContact O-N 3.45Å
224T41.8Very low51.4Low120 Ų12093.4 Ų93.474%0.73651%0.514SS*.  trans-72.464.3167.933.70000109.1Q222 S226Q222-T224 PolarHBondContact O-N 2.74Å; T224-S226 PolarHBondContact O-N 3.41Å
225F42.9Very low49.4Very low83 Ų8395.6 Ų95.636%0.36454%0.535SS..  trans-86.890.9157.7-63.1-57.4000107.2K204 K205 P223 D227K204-F225 HydrophobicContact CB-CE1 3.56Å; K204-F225 HydrophobicContact CB-CZ 3.59Å; K204-F225 HydrophobicContact CD-CE1 4.31Å; K204-F225 HydrophobicContact CG-CE1 4.32Å; K204-F225 WeakPolarHBondContact O-CE1 3.15Å; K204-F225 WeakPolarHBondContact O-CZ 3.06Å; K205-F225 HydrophobicContact CG-CE2 3.98Å; K205-F225 HydrophobicContact CG-CZ 3.82Å; P223-F225 HydrophobicContact CB-CD2 3.62Å; P223-F225 HydrophobicContact CB-CE2 3.63Å; P223-F225 PolarHBondContact O-N 3.45Å; F225-D227 HydrophobicContact CB-CB 4.48Å; F225-D227 PolarHBondContact O-N 3.36Å
226S37.2Very low47.3Very low101 Ų10194.4 Ų94.471%0.70654%0.543SS*.  trans-7056.3150.9-46.10000108.8T224 T228T224-S226 PolarHBondContact O-N 3.41Å; S226-T228 PolarHBondContact O-N 3.28Å; S226-T228 VanDerWaalsContact O-N 3.08Å
227D39.3Very low45.3Very low120 Ų120103.1 Ų103.164%0.64258%0.583SS**  trans-8048157.7-78-17.1000107.5F225 L229F225-D227 HydrophobicContact CB-CB 4.48Å; F225-D227 PolarHBondContact O-N 3.36Å; D227-L229 PolarHBondContact O-N 3.36Å
228T36.2Very low43.2Very low125 Ų125109.1 Ų109.177%0.76763%0.625SS**  trans-69.579.3145.4-11.20000104.5S226S226-T228 PolarHBondContact O-N 3.28Å; S226-T228 VanDerWaalsContact O-N 3.08Å
229L37.8Very low41.4Very low140 Ų140113.3 Ų113.373%0.73366%0.655SS**  trans-41.1130.6146.9-83159.9000105.1D227 S231D227-L229 PolarHBondContact O-N 3.36Å; L229-S231 PolarHBondContact O-N 3.17Å
230P34.9Very low40Very low113 Ų113118 Ų11873%0.73469%0.688SS**  trans-55.4106.2163.224.6-29.1000104Q232P230-Q232 PolarHBondContact O-N 2.75Å
231S34.4Very low38.6Very low110 Ų110120.4 Ų120.477%0.76970%0.704SS**  trans-48.6104.9160.6170.70000102.2L229 K233L229-S231 PolarHBondContact O-N 3.17Å; S231-K233 PolarHBondContact O-N 3.04Å
232Q36.2Very low37.9Very low169 Ų169126.6 Ų126.679%0.7973%0.73SS**  trans-49109.3165.5-89.2-179.1-84.500102.6P230 D234P230-Q232 PolarHBondContact O-N 2.75Å; Q232-D234 PolarHBondContact O-N 2.88Å
233K37.5Very low37.2Very low194 Ų194124.3 Ų124.384%0.84373%0.732SS**  trans-59.7100.8168.1-168.2176.5-173.21790101.7S231 S235S231-K233 PolarHBondContact O-N 3.04Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 3.38Å
234D34.4Very low37.3Very low134 Ų134129.5 Ų129.572%0.71775%0.746SS**  trans-51104179.3-80.2-40.3000106.3Q232 S236Q232-D234 PolarHBondContact O-N 2.88Å; D234-S236 PolarHBondContact O-N 2.98Å
235S34.6Very low36.9Very low123 Ų123129.3 Ų129.386%0.8675%0.75SS**  trans-7475.8175.7560000106K233K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 3.38Å
236S33.8Very low37Very low81 Ų81131.6 Ų131.657%0.56677%0.771SS**  trans-155.461.6175.366.10000111.6D234D234-S236 PolarHBondContact O-N 2.98Å
237H36.3Very low37.2Very low189 Ų189133.8 Ų133.888%0.87577%0.774SS**  trans-12472.8147.3-73.8-56.5000108.8S239H237-S239 PolarHBondContact O-N 2.98Å
238C32.9Very low37.5Very low136 Ų136135.8 Ų135.892%0.91979%0.785SS**  trans-72.8101.3152-92.40000108.2
239S40Very low37.9Very low102 Ų102137.7 Ų137.771%0.71379%0.785SS**  trans179.5130.3150.554.20000105.7H237H237-S239 PolarHBondContact O-N 2.98Å
240S39.7Very low38.4Very low99 Ų99137.7 Ų137.769%0.69279%0.786SS**  cis-172.4137.1-1.4440000102.6
241C34.3Very low38.7Very low109 Ų109138.2 Ų138.274%0.73678%0.783SS**  trans6.9123.4151.743.60000117.3
242L39.2Very low39.1Very low158 Ų158139.7 Ų139.783%0.82778%0.781SS**  172.9104.9111.3-87.7157.5000110.2K244L242-K244 PolarHBondContact O-N 3.11Å
243S35.4Very low39.2Very low120 Ų120137.6 Ų137.684%0.83978%0.782SS**  trans-57.1127.2159.4-43.20000109.9
244K44.2Very low39.5Very low194 Ų194134 Ų13484%0.84378%0.781SS**  trans-140108.9151.8-80-165.4173.2-178.50109.6L242L242-K244 PolarHBondContact O-N 3.11Å
245S34.8Very low39.5Very low116 Ų116131.3 Ų131.381%0.81179%0.785SS**  trans-73.1137.716157.10000110.2
246T44Very low39.6Very low131 Ų131133.9 Ų133.980%0.80478%0.783SS**  trans-164.196.4157.124.20000102.5
247D41.7Very low39.7Very low146 Ų146136 Ų13678%0.78180%0.796SS**  48.690.982.4-152.119.6000110.6
248D44.9Very low39.8Very low163 Ų163135 Ų13587%0.87279%0.792SS**  trans-16099150.5-111.7-23.2000107.6
249E44.7Very low39.7Very low164 Ų164133.4 Ų133.477%0.76679%0.788SS**  trans-61.2129.6160.4-65.3-146.612800109.1
250N47.8Very low39.4Very low140 Ų140133.7 Ų133.775%0.74979%0.79SS**  trans-179.5120.8130.7-95.4-33.1000112.8
251N42.8Very low39.1Very low125 Ų125134.4 Ų134.467%0.66880%0.795SS**  86.1104.8128.7-74.5-36.2000121.6
252I42.9Very low39.3Very low140 Ų140135.3 Ų135.372%0.71880%0.797SS**  trans103.1110.5130.5-56.9155.8000116.6
253P37.8Very low39.4Very low126 Ų126133.8 Ų133.882%0.81880%0.797SS**  trans-99.112316635.3-24.3000110.5
254S42.5Very low39.5Very low119 Ų119135.5 Ų135.583%0.83280%0.795SS**  trans-173.1142.6155.459.80000111.1
255G35.9Very low39.4Very low76 Ų76137.4 Ų137.478%0.78480%0.797SS**  trans128.376.6155.200000116.5
256H35.7Very low39.6Very low178 Ų178139 Ų13982%0.82480%0.796SS**  trans-14.1131.4145.3-124.3-88.3000116.1
257C36.5Very low39.4Very low124 Ų124142 Ų14284%0.83880%0.798SS**  trans-172.5102138.8-101.60000112
258E37.4Very low39.3Very low169 Ų169141.2 Ų141.279%0.7980%0.799SS**  trans29.1115.4138.2-65.2179.6157.800121.6
259A32.4Very low38.8Very low103 Ų103139 Ų13985%0.85179%0.792SS**  42103.4124.200000119
260S33.4Very low38.4Very low107 Ų107136 Ų13675%0.74879%0.788SS**  trans-144.7110.314256.40000111.3
261S33.7Very low37.9Very low115 Ų115135.9 Ų135.980%0.80479%0.786SS**  trans36101.3140.649.80000118.7
262T37.8Very low37.6Very low127 Ų127134.2 Ų134.278%0.77978%0.784SS**  trans-114.4130.9151.645.20000108.8I264T262-I264 PolarHBondContact O-N 3.22Å
263P41.5Very low37.3Very low126 Ų126136.3 Ų136.382%0.81879%0.789SS**  trans-68.8126.217927.4-30.7000109.1R265P263-R265 PolarHBondContact O-N 3.17Å; P263-R265 VanDerWaalsContact O-N 3.08Å
264I38.3Very low37.4Very low157 Ų157138.5 Ų138.581%0.80579%0.788SS**  trans-59.1109.7177.6-66166000107.7T262 D266T262-I264 PolarHBondContact O-N 3.22Å; I264-D266 PolarHBondContact O-N 3.18Å
265R41.8Very low37.4Very low234 Ų234138.1 Ų138.188%0.88379%0.785SS**  trans-58.5119162.2-98.3-179.2170.9161.5-2.5107.6P263 K267P263-R265 PolarHBondContact O-N 3.17Å; P263-R265 VanDerWaalsContact O-N 3.08Å; R265-K267 PolarHBondContact O-N 3Å
266D38.9Very low37.9Very low148 Ų148139 Ų13979%0.79178%0.779SS**  trans-50.1104.4167.2-73.1-41.2000110I264 V268I264-D266 PolarHBondContact O-N 3.18Å; D266-V268 PolarHBondContact O-N 2.74Å
267K38.3Very low38.1Very low194 Ų194138.3 Ų138.384%0.84378%0.782SS**  trans-7184.7162.8-103.3-177.9172-173.40106.6R265 T269R265-K267 PolarHBondContact O-N 3Å; K267-T269 VanDerWaalsContact C-N 3.25Å; K267-T269 PolarHBondContact O-N 3.35Å
268V39.9Very low38.6Very low130 Ų130138 Ų13879%0.78878%0.776SS**  trans-62.397.7159.3178.80000106.1D266 S270D266-V268 PolarHBondContact O-N 2.74Å; V268-S270 PolarHBondContact O-N 3.32Å
269T34.7Very low39.2Very low118 Ų118139.1 Ų139.172%0.72478%0.778SS**  trans-69.5104.2173.9-55.50000105.8K267 I271K267-T269 VanDerWaalsContact C-N 3.25Å; K267-T269 PolarHBondContact O-N 3.35Å; T269-I271 PolarHBondContact O-N 3.24Å
270S35.6Very low40Very low100 Ų100138.9 Ų138.970%0.69978%0.776SS**  trans-53.9111.5171.348.90000108V268 S272V268-S270 PolarHBondContact O-N 3.32Å; S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 2.85Å
271I38.3Very low40.8Very low137 Ų137138.4 Ų138.470%0.70378%0.778SS**  trans-59.6101.5167.4-52.8171.1000104.7T269 F273T269-I271 PolarHBondContact O-N 3.24Å; I271-F273 VanDerWaalsContact C-N 3.26Å; I271-F273 WeakPolarHBondContact O-CD2 3.46Å; I271-F273 PolarHBondContact O-N 3.19Å
272S36.1Very low42.2Very low90 Ų90143 Ų14363%0.62978%0.784SS**  trans-61.796.6170.9137.30000105.6S270 Q274S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 2.85Å; S272-Q274 PolarHBondContact O-N 2.95Å
273F37.3Very low42.9Very low185 Ų185146.4 Ų146.481%0.81178%0.783SS**  trans-62.890.2160.8-74.4-83.6000106.1I271 S275I271-F273 VanDerWaalsContact C-N 3.26Å; I271-F273 WeakPolarHBondContact O-CD2 3.46Å; I271-F273 PolarHBondContact O-N 3.19Å; F273-S275 VanDerWaalsContact C-N 3.3Å; F273-S275 PolarHBondContact O-N 2.95Å
274Q40Very low43.7Very low172 Ų172151.2 Ų151.280%0.80478%0.784SS**  trans-57.4105.5161-82.3-173.9-11.500105.2S272 S276S272-Q274 PolarHBondContact O-N 2.95Å; Q274-S276 VanDerWaalsContact C-N 3.26Å; Q274-S276 PolarHBondContact O-N 3.28Å
275S41.7Very low44.6Very low111 Ų111155.4 Ų155.478%0.77679%0.79SS**  trans-54.996.3169.756.50000107F273 N277F273-S275 VanDerWaalsContact C-N 3.3Å; F273-S275 PolarHBondContact O-N 2.95Å; S275-N277 PolarHBondContact O-N 3.15Å; S275-N277 VanDerWaalsContact O-N 3.1Å
276S46.4Very low45.5Very low94 Ų94154.6 Ų154.666%0.65779%0.787SS**  trans-62119.7170.2540000105.5Q274 V278Q274-S276 VanDerWaalsContact C-N 3.26Å; Q274-S276 PolarHBondContact O-N 3.28Å; S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CG2 3.33Å
277N40.3Very low46.2Very low163 Ų163158.4 Ų158.487%0.87279%0.79SS**  trans-71.866.7180-132.7-31000107.5S275 K279S275-N277 PolarHBondContact O-N 3.15Å; S275-N277 VanDerWaalsContact O-N 3.1Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.94Å
278V46.7Very low46.9Very low118 Ų118158 Ų15872%0.71579%0.791SS**  trans-72.294.6179.2-173.50000106.4S276 A280S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CG2 3.33Å; V278-A280 PolarHBondContact O-N 2.99Å
279K51.1Low47.4Very low193 Ų193159.9 Ų159.984%0.83979%0.791SS**  trans-48.6114.4166.4-91.5176.8173.91700107.9N277 A281N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.94Å; K279-A281 PolarHBondContact O-N 3.03Å
280A48.4Very low47.7Very low97 Ų97162.8 Ų162.880%0.80280%0.796SS**  trans-52123.317200000109.6V278 K282V278-A280 PolarHBondContact O-N 2.99Å; A280-K282 PolarHBondContact O-N 2.97Å
281A50.5Low48.1Very low97 Ų97166 Ų16680%0.80281%0.805SS**  trans-61125.2178.700000110.1K279 R283K279-A281 PolarHBondContact O-N 3.03Å; A281-R283 PolarHBondContact O-N 3.35Å
282K62.1Low48.1Very low213 Ų213166 Ų16693%0.92681%0.806SS**  trans-67.6100.3179.2-166.7174.4-176177.30109.7A280A280-K282 PolarHBondContact O-N 2.97Å
283R53Low48.2Very low198 Ų198167.5 Ų167.575%0.74782%0.817SS**  trans-71.8127-177.6-145.4169.2172.1177.6-5.2110.6A281 R285 N331A281-R283 PolarHBondContact O-N 3.35Å; R283-R285 PolarHBondContact O-N 3.05Å; R283-N331 PolarHBondContact NH1-OD1 3.46Å
284R57.7Low48.4Very low226 Ų226164.1 Ų164.185%0.85382%0.816SS**  trans-75113.1178-176.2176171.2170-2.7109.5R286R284-R286 PolarHBondContact O-N 2.85Å
285R58.4Low48.2Very low245 Ų245163.7 Ų163.793%0.92582%0.819SS**  trans-65114.1169.1-76.1-178.1169.5179.3-4.7109.2R283R283-R285 PolarHBondContact O-N 3.05Å
286R60.5Low48Very low218 Ų218163.8 Ų163.882%0.82382%0.82SS**  trans-84.3123.8164.9-76.2-171.8169.4-168.5-2.4107.8R284R284-R286 PolarHBondContact O-N 2.85Å
287R54Low47.6Very low228 Ų228164.9 Ų164.986%0.8682%0.823SS**  trans-74.6119.9169-67.4177.8178.3168.7-2.2107H289R287-H289 PolarHBondContact O-N 2.68Å
288H52.1Low47.4Very low184 Ų184164.5 Ų164.585%0.85282%0.821SS**  trans-70.7110.9166.8-88.4-90.8000107.7
289H51.1Low46.9Very low171 Ų171163.6 Ų163.679%0.79283%0.825SS**  trans-75.3122.2158.9-84.2-77.2000107.2R287 L291R287-H289 PolarHBondContact O-N 2.68Å; H289-L291 PolarHBondContact O-N 3.35Å
290Q40.6Very low46.1Very low178 Ų178164.3 Ų164.383%0.83283%0.829SS**  trans-56.3116.9167.1-152.6170.919.100107
291L43.4Very low45.7Very low168 Ų168164.9 Ų164.988%0.8883%0.825SS**  trans-90.5115.3170-148.690000106.8H289H289-L291 PolarHBondContact O-N 3.35Å
292D39.8Very low44.8Very low136 Ų136167 Ų16773%0.72782%0.822SS**  trans-58.6147.8176.9-74.6-49000112.2
293S37.8Very low43.6Very low123 Ų123165.1 Ų165.186%0.8682%0.822SS**  trans-65.6129.3179.7-40.60000111.6
294S41.2Very low42.7Very low114 Ų114161.3 Ų161.380%0.79782%0.82SS**  trans-153.8109.5156.160.20000112
295N35Very low41.6Very low162 Ų162157.2 Ų157.287%0.86682%0.816SS**  trans1.5126155-65.9-20.4000119.9
296S37.5Very low40.4Very low114 Ų114157.2 Ų157.280%0.79782%0.815SS**  trans-150.190141.159.50000108.1
297V39.4Very low39.1Very low117 Ų117154.9 Ų154.971%0.70982%0.817SS**  52.5103.897.4-174.90000113.9
298N35.9Very low38.2Very low155 Ų155151.7 Ų151.783%0.82981%0.813SS**  trans51.7107.9145.4-60.3-13.3000121
299A35.3Very low37.2Very low99 Ų99149.5 Ų149.582%0.81881%0.807SS**  trans-161.5102.5130.800000111
300F34.6Very low36.3Very low207 Ų207149.7 Ų149.791%0.90881%0.808SS**  trans-121.1144.3152.3-88.3-74.3000105
301P39.4Very low36Very low110 Ų110149.8 Ų149.871%0.71481%0.812SS**  -152.816677.436.9-15.8000117.1
302N32.1Very low35.4Very low141 Ų141145.8 Ų145.875%0.75480%0.798SS**  trans61.4103.6151.4-79.1-27.3000120.1
303L37.3Very low35Very low174 Ų174146.1 Ų146.191%0.91180%0.8SS**  trans-139.486.3145.2-97.8156.8000108
304T33.1Very low34.8Very low117 Ų117148.1 Ų148.172%0.71880%0.799SS**  trans-97.8147.8152.2-32.50000105.1
305D34.3Very low34.2Very low141 Ų141148.8 Ų148.875%0.75479%0.794SS**  trans88.386.3-175.7-60.2-19.1000116.9
306R34.8Very low33.9Very low244 Ų244150.1 Ų150.192%0.92179%0.792SS**  176.490.9123-99.6176.6166.2-175.6-4.8110.8
307I33.2Very low33.6Very low169 Ų169152.7 Ų152.787%0.86780%0.797SS**  trans-75.7106.4149.3-64.2167.8000104.6
308E34.8Very low33.2Very low162 Ų162152.4 Ų152.476%0.75780%0.797SS**  trans175.1121.6152.1-102.4167.4179.600111.3
309N30.4Very low32.9Very low137 Ų137153.4 Ų153.473%0.73380%0.802SS**  trans50.990142.7-62.3-19.9000119.3
310H31.9Very low32.6Very low175 Ų175152.1 Ų152.181%0.8179%0.792SS**  trans-158.879.2145.6-76-56.9000110.9
311I35.6Very low32.2Very low180 Ų180148.1 Ų148.192%0.92379%0.789SS**  trans-128.167.9152.7-51.2175.5000106.5
312S30.6Very low31.6Very low84 Ų84148.6 Ų148.659%0.58779%0.79SS**  trans-127.1131.9161.944.30000103.8
313D30.3Very low31.5Very low143 Ų143148.7 Ų148.777%0.76580%0.795SS**  trans107.561.4-174.3-54.5-12.3000114.6
314I33.4Very low31.1Very low165 Ų165145.1 Ų145.185%0.84678%0.784SS**  trans-130.477.5138.4-53.8-179.8000106.6
315D28.4Very low30.8Very low129 Ų129143.1 Ų143.169%0.6979%0.787SS**  trans-71.9147.9162.7-81.3-38.5000110.1
316F28.9Very low30.7Very low189 Ų189142.7 Ų142.783%0.82978%0.782SS**  trans7496.4170.7-62.6-84.2000118
317L32.1Very low30.3Very low169 Ų169138.9 Ų138.989%0.88578%0.779SS**  trans-110.4128.5140.7-85.6166.7000108.3
318P31.2Very low30.3Very low110 Ų110138.3 Ų138.371%0.71477%0.767SS**  trans-75.4139.2-169.530.2-32.8000111.6A320P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.88Å
319D28.5Very low30Very low177 Ų177135.9 Ų135.995%0.94776%0.763SS**SBendtrans-64.681.9167.5-163.821000109.4
320A29.4Very low30.3Very low72 Ų72134.4 Ų134.460%0.59576%0.76SS**  trans-160.6107.1167.700000110.6P318 V322P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.88Å; A320-V322 PolarHBondContact O-N 2.91Å
321S27Very low30.2Very low122 Ų122131.2 Ų131.285%0.85375%0.748SS**  trans-44.5101.4160.953.70000112.5
322V27.3Very low30.1Very low120 Ų120132.9 Ų132.973%0.72775%0.745SS**  trans-141.390.2157.5-172.30000107.7A320 C324A320-V322 PolarHBondContact O-N 2.91Å; V322-C324 VanDerWaalsContact C-N 3.29Å; V322-C324 HydrophobicContact CG1-CB 4.24Å; V322-C324 PolarHBondContact O-N 3.01Å
323V28.1Very low30.3Very low144 Ų144137.4 Ų137.487%0.87376%0.757SS**  trans-71.492.1164.31780000106.4
324C30Very low30.7Very low98 Ų98134 Ų13466%0.66275%0.748SS**  trans-101129.2168.5-158.40000108.2V322 M326V322-C324 VanDerWaalsContact C-N 3.29Å; V322-C324 HydrophobicContact CG1-CB 4.24Å; V322-C324 PolarHBondContact O-N 3.01Å; C324-M326 PolarHBondContact O-N 3.38Å
325G26.4Very low30.8Very low76 Ų76133.2 Ų133.278%0.78475%0.746SS**  trans-50.8124.9-174.400000112.7
326M32.9Very low31.5Very low132 Ų132134.7 Ų134.765%0.6575%0.748SS**  trans-10997173.6-74.4-177.5126.400110C324 Y328C324-M326 PolarHBondContact O-N 3.38Å; M326-Y328 HydrophobicContact CB-CD2 3.61Å; M326-Y328 HydrophobicContact CB-CE2 3.49Å; M326-Y328 VanDerWaalsContact CB-CE2 3.49Å; M326-Y328 HydrophobicContact CB-CG 4.49Å; M326-Y328 HydrophobicContact CE-CE1 4.38Å; M326-Y328 HydrophobicContact CE-CE2 3.83Å; M326-Y328 VanDerWaalsContact CE-CZ 3.43Å; M326-Y328 WeakPolarHBondContact CE-OH 3.24Å; M326-Y328 HydrophobicContact CG-CD2 4.47Å; M326-Y328 HydrophobicContact CG-CE2 3.87Å; M326-Y328 PolarHBondContact O-N 2.93Å; M326-Y328 HydrophobicContact SD-CD2 4.35Å; M326-Y328 HydrophobicContact SD-CE2 3.29Å; M326-Y328 WeakPolarHBondContact SD-CE2 3.43Å; M326-Y328 VanDerWaalsContact SD-CZ 3.6Å; M326-Y328 PolarHBondContact SD-OH 3.42Å; M326-Y328 VanDerWaalsContact SD-OH 3.38Å
327D25.5Very low32Very low163 Ų163134.2 Ų134.287%0.87275%0.748SS**  trans-65.483.5158.8-75.8-31.5000109.2V329D327-V329 PolarHBondContact O-N 3.39Å
328Y33.8Very low32.5Very low157 Ų157132.6 Ų132.662%0.61674%0.741SS**  trans-89.391.3166-72-63.4000110.1M326 T330M326-Y328 HydrophobicContact CB-CD2 3.61Å; M326-Y328 HydrophobicContact CB-CE2 3.49Å; M326-Y328 VanDerWaalsContact CB-CE2 3.49Å; M326-Y328 HydrophobicContact CB-CG 4.49Å; M326-Y328 HydrophobicContact CE-CE1 4.38Å; M326-Y328 HydrophobicContact CE-CE2 3.83Å; M326-Y328 VanDerWaalsContact CE-CZ 3.43Å; M326-Y328 WeakPolarHBondContact CE-OH 3.24Å; M326-Y328 HydrophobicContact CG-CD2 4.47Å; M326-Y328 HydrophobicContact CG-CE2 3.87Å; M326-Y328 PolarHBondContact O-N 2.93Å; M326-Y328 HydrophobicContact SD-CD2 4.35Å; M326-Y328 HydrophobicContact SD-CE2 3.29Å; M326-Y328 WeakPolarHBondContact SD-CE2 3.43Å; M326-Y328 VanDerWaalsContact SD-CZ 3.6Å; M326-Y328 PolarHBondContact SD-OH 3.42Å; M326-Y328 VanDerWaalsContact SD-OH 3.38Å; Y328-T330 PolarHBondContact O-N 2.92Å
329V28.6Very low33.1Very low111 Ų111133.8 Ų133.867%0.67374%0.741SS**  trans-68.994.9163.2179.30000108.4D327 N331D327-V329 PolarHBondContact O-N 3.39Å; V329-N331 PolarHBondContact O-N 2.84Å
330T36.1Very low33.8Very low106 Ų106135.1 Ų135.165%0.6573%0.734SS**  trans-77.4103.516443.50000108.4Y328 Y332Y328-T330 PolarHBondContact O-N 2.92Å; T330-Y332 VanDerWaalsContact C-N 3.3Å; T330-Y332 PolarHBondContact O-N 3.47Å
331N29.5Very low34.4Very low108 Ų108138.5 Ų138.558%0.57874%0.742SS**  trans-7190.4166.8-59.3-79.4000107.5R283 V329R283-N331 PolarHBondContact NH1-OD1 3.46Å; V329-N331 PolarHBondContact O-N 2.84Å
332Y35.3Very low35.1Very low215 Ų215140.6 Ų140.684%0.84374%0.739SS**  trans-94.7100.5157.9-119.7-91.3000106.6T330 A334T330-Y332 VanDerWaalsContact C-N 3.3Å; T330-Y332 PolarHBondContact O-N 3.47Å; Y332-A334 PolarHBondContact O-N 2.76Å; Y332-A334 VanDerWaalsContact O-N 3.12Å
333E33.5Very low35.7Very low180 Ų180143.7 Ų143.784%0.84175%0.745SS**  trans-65.3102.8161-102.5167164.300106.3D335E333-D335 PolarHBondContact O-N 3.46Å
334A38.7Very low36.2Very low71 Ų71145 Ų14559%0.58774%0.741SS**  trans-80.4102.2161.600000106.6Y332 H336Y332-A334 PolarHBondContact O-N 2.76Å; Y332-A334 VanDerWaalsContact O-N 3.12Å; A334-H336 VanDerWaalsContact C-N 3.34Å; A334-H336 PolarHBondContact O-N 2.95Å
335D35.5Very low36.8Very low148 Ų148146.6 Ų146.679%0.79175%0.748SS**  trans-61.697.4164.3-74.6-33.8000108.2E333E333-D335 PolarHBondContact O-N 3.46Å
336H43.1Very low37.4Very low161 Ų161148 Ų14875%0.74575%0.747SS**  trans-94.897.2163.6-82.6-54.2000108.4A334 D338A334-H336 VanDerWaalsContact C-N 3.34Å; A334-H336 PolarHBondContact O-N 2.95Å; H336-D338 PolarHBondContact O-N 3.13Å; H336-D338 VanDerWaalsContact O-N 3.1Å
337E39.7Very low37.7Very low178 Ų178151.1 Ų151.183%0.83276%0.759SS**  trans-68.790.2162.8-72.8-100.3158.500108.8N339E337-N339 PolarHBondContact O-N 3.21Å; E337-N339 VanDerWaalsContact O-N 3.14Å
338D42.9Very low38.3Very low135 Ų135148.2 Ų148.272%0.72276%0.758SS**  trans-75.689.9165.7-77.9-29.9000109.2H336 Y340H336-D338 PolarHBondContact O-N 3.13Å; H336-D338 VanDerWaalsContact O-N 3.1Å; D338-Y340 PolarHBondContact O-N 3.12Å
339N42.5Very low38.5Very low135 Ų135149.5 Ų149.572%0.72277%0.77SS**  trans-92.179.8169.7-157.8-0.4000109.6E337 N341E337-N339 PolarHBondContact O-N 3.21Å; E337-N339 VanDerWaalsContact O-N 3.14Å; N339-N341 PolarHBondContact O-N 3.29Å
340Y44.2Very low39.1Very low206 Ų206152.8 Ų152.881%0.80878%0.783SS**  trans-81.5102.8166-92.7-89.7000108.9D338D338-Y340 PolarHBondContact O-N 3.12Å
341N40.8Very low39.1Very low142 Ų142154.9 Ų154.976%0.75979%0.79SS**  trans-88.6101.8169-129.75000108.2N339 Q343N339-N341 PolarHBondContact O-N 3.29Å; N341-Q343 PolarHBondContact O-N 2.94Å
342E42.2Very low39.4Very low167 Ų167154.8 Ų154.878%0.7880%0.798SS**  trans-68.8116.3166.3-76.5-180152.300109.4
343Q40.6Very low39.5Very low185 Ų185152.9 Ų152.986%0.86480%0.8SS**  trans-122.6108.6157.3-87.2-170.6-19.500109.3N341N341-Q343 PolarHBondContact O-N 2.94Å
344H39Very low39.6Very low170 Ų170149 Ų14979%0.78779%0.793SS**  trans-63.7129.3165.9-75.6-85.7000111.2
345T41Very low39.4Very low132 Ų132150.8 Ų150.881%0.8180%0.801SS**  trans-149.4104.8149.342.20000110.9
346S40.2Very low39.4Very low107 Ų107151.9 Ų151.975%0.74881%0.807SS**  trans37.7115.1137.457.20000121.4
347E39.5Very low39.1Very low196 Ų196154.9 Ų154.992%0.91681%0.812SS**  28.6117.2129.6-63.2-178.3159.300120.1
348A38.5Very low38.8Very low103 Ų103153.8 Ų153.885%0.85181%0.812SS**  trans-160.4114.8135.400000110.1
349Q36.7Very low38.5Very low184 Ų184152.5 Ų152.586%0.8681%0.814SS**  trans-60.1139164.4-71.8169.7-61.700110.5
350L41.4Very low38.1Very low180 Ų180155.1 Ų155.194%0.94282%0.821SS**  trans-153.1116.6135.9-81.7-171.5000109.4
351D36Very low37.7Very low149 Ų149154.6 Ų154.680%0.79782%0.823SS**  trans-66.8159.5169.9-97.9-39.7000112.5
352S36.6Very low37.3Very low107 Ų107152.6 Ų152.675%0.74882%0.816SS**  trans74.4102.6155.9-510000118.4
353I36.6Very low36.8Very low175 Ų175150.5 Ų150.590%0.89782%0.817SS**  -153.3129.9126.1-90.2139.4000108.2
354S35.2Very low36.4Very low97 Ų97146 Ų14668%0.67881%0.805SS**  trans-71.9152.1-175.856.60000114.4
355S35.1Very low36.1Very low110 Ų110145.5 Ų145.577%0.76981%0.806SS**  trans56.593.9141.3-52.40000118.1
356D35.7Very low35.5Very low170 Ų170146.4 Ų146.491%0.90981%0.806SS**  trans-148135.1134.2-117.3-26.9000112.1
357R35.6Very low35.1Very low224 Ų224146.4 Ų146.485%0.84581%0.806SS**  trans-71.5149.4176.5-82175.6166168.1-5109.5
358N34.6Very low34.7Very low155 Ų155144.8 Ų144.883%0.82980%0.803SS**  trans85.994.2163.7-47-28.4000116.6
359S36.6Very low34.5Very low109 Ų109148.3 Ų148.376%0.76280%0.799SS**  -179.488122.162.60000110.2K361S359-K361 PolarHBondContact O-N 3.48Å
360E34.9Very low34.3Very low189 Ų189145.5 Ų145.588%0.88380%0.797SS**  trans-76.4102.9164.3-163173.5-162.300107.3
361K34Very low33.8Very low195 Ų195142.3 Ų142.385%0.84879%0.79SS**  trans-107.282169.7-86.1-170.8177.9-177.30109.1S359S359-K361 PolarHBondContact O-N 3.48Å
362V33.4Very low33.7Very low101 Ų101140.2 Ų140.261%0.61279%0.787SS**  trans-111.2120.1157.7-178.80000106.3C364V362-C364 VanDerWaalsContact C-N 3.26Å; V362-C364 PolarHBondContact O-N 3.24Å
363P32Very low33.4Very low122 Ų122146.2 Ų146.279%0.79279%0.793SS**  trans-76.484.3176.230-29.2000108.8I365P363-I365 PolarHBondContact O-N 3.18Å
364C31Very low33.3Very low91 Ų91146.3 Ų146.362%0.61579%0.79SS**  trans-71.7113.3166.1-64.60000108.2V362 N366V362-C364 VanDerWaalsContact C-N 3.26Å; V362-C364 PolarHBondContact O-N 3.24Å; C364-N366 PolarHBondContact O-N 3.19Å
365I32.6Very low33.1Very low160 Ų160147.5 Ų147.582%0.82179%0.793SS**  trans-71.775.6170.3-51.9167.7000107.4P363P363-I365 PolarHBondContact O-N 3.18Å
366N29.8Very low32.7Very low151 Ų151152.3 Ų152.381%0.80780%0.8SS**  trans-123.674.5171.5-81.7-14.6000107.6C364C364-N366 PolarHBondContact O-N 3.19Å
367S30.5Very low32.5Very low106 Ų106149.2 Ų149.274%0.74179%0.792SS**  trans-156.567.6172.266.60000110.9
368L32.3Very low32.2Very low162 Ų162145 Ų14585%0.84879%0.791SS**SBendtrans-151.468.5163.2-101.4147.1000105.6
369F33.4Very low32Very low177 Ų177144 Ų14478%0.77679%0.786SS**  trans171.4111.4152.4-79.9-56.4000106.7S371F369-S371 PolarHBondContact O-N 2.72Å; F369-S371 VanDerWaalsContact O-N 3.09Å
370P34Very low31.6Very low125 Ų125146.5 Ų146.581%0.81279%0.79SS**  trans-69.5108.6169.828.5-29.4000107.8S372P370-S372 VanDerWaalsContact C-N 3.29Å; P370-S372 PolarHBondContact O-N 3.19Å
371S29.9Very low31.4Very low114 Ų114143.4 Ų143.480%0.79778%0.779SS**  trans-73.887.3164.4-167.10000107.7F369 R373F369-S371 PolarHBondContact O-N 2.72Å; F369-S371 VanDerWaalsContact O-N 3.09Å; S371-R373 PolarHBondContact O-N 3.06Å
372S33.9Very low31.5Very low104 Ų104140.8 Ų140.873%0.72778%0.775SS**  trans-91.980.3162590000108.3P370 E374P370-S372 VanDerWaalsContact C-N 3.29Å; P370-S372 PolarHBondContact O-N 3.19Å; S372-E374 VanDerWaalsContact C-N 3.26Å; S372-E374 PolarHBondContact O-N 3.18Å
373R31.4Very low31.4Very low234 Ų234141.9 Ų141.988%0.88378%0.781SS**  trans-78.784.6152.3-118-177.1171.1-175.1-2.6106S371S371-R373 PolarHBondContact O-N 3.06Å
374E34.1Very low31.3Very low177 Ų177143.7 Ų143.783%0.82778%0.784SS**  trans-115.195.1158.2-79.5-171.2165.400107.6S372S372-E374 VanDerWaalsContact C-N 3.26Å; S372-E374 PolarHBondContact O-N 3.18Å
375T31.4Very low31.3Very low122 Ų122152.4 Ų152.475%0.74882%0.815SS**  trans3113.6146.120.60000116.4S377T375-S377 PolarHBondContact O-N 3.03Å
376F26.8Very low31.2Very low210 Ų210152.1 Ų152.192%0.92182%0.815SS**  trans-48.4118.6147.8-71.4-91000109
377S31Very low31.3Very low106 Ų106152.1 Ų152.174%0.74182%0.816SS**  trans-131.991.8160-72.20000106.7T375 N379T375-S377 PolarHBondContact O-N 3.03Å; S377-N379 PolarHBondContact O-N 3.47Å
378T28.5Very low31.4Very low134 Ų134154.7 Ų154.782%0.82282%0.82SS**  trans-55.4110.8161.143.20000108.5
379N30.8Very low31.3Very low134 Ų134154.2 Ų154.272%0.71782%0.818SS**  trans-121.592.1157.1-147.6-41.9000107.5S377 N381S377-N379 PolarHBondContact O-N 3.47Å; N379-N381 PolarHBondContact O-N 3.23Å; N379-N381 PolarHBondContact OD1-ND2 2.88Å
380L27.6Very low31.2Very low163 Ų163152.8 Ų152.885%0.85382%0.821SS**  trans-64.3100.8154.2-81.9159.2000106.3
381N32.1Very low31Very low123 Ų123154.7 Ų154.766%0.65882%0.821SS**  trans-159.1135.7154.3-87.6-44.7000109.4N379N379-N381 PolarHBondContact O-N 3.23Å; N379-N381 PolarHBondContact OD1-ND2 2.88Å
382D35.6Very low31.1Very low140 Ų140157.6 Ų157.675%0.74982%0.823SS**  trans74.888.9159.3-54.2-26.5000116.5
383V30.7Very low30.9Very low124 Ų124161.7 Ų161.775%0.75283%0.83SS**  53.8111.262.8-175.10000110.9
384L30Very low30.8Very low161 Ų161155.7 Ų155.784%0.84383%0.826SS**  trans83.391.6165.1-59.9156.8000118
385Q31.4Very low30.5Very low274 Ų274153.7 Ų153.7100%1.2883%0.826SS**  -162.50110-109.317629.100111.9

Retrieved 385 of 385 residues in 474.8 ms (Link to these results)