A0A087YK32_POEFO Loading...

Single stranded DNA binding protein 2a

AlphaFold DB (A0A3B3UT91), UniProt , Accession A0A087YK32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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
1M40.6Very low50.8Low241 Ų241147 Ų147100%1.18781%0.812SS**  0103.50-69.1175.2173.100107.2
2Y36.4Very low53.6Low237 Ų237139.5 Ų139.593%0.92978%0.778SS**  trans-83.8126.8-178.4-66.3-79000109.5K4Y2-K4 PolarHBondContact O-N 2.95Å
3A44.1Very low56.2Low101 Ų101138.8 Ų138.884%0.83577%0.771SS**  trans-60.1121179.300000110G5A3-G5 PolarHBondContact O-N 3.23Å; A3-G5 VanDerWaalsContact O-N 3.11Å
4K42.7Very low58.4Low207 Ų207133.8 Ų133.890%0.975%0.751SS**  trans-54.9113.5175.1-169.9170.6-178.2175.60108.6Y2 K6Y2-K4 PolarHBondContact O-N 2.95Å; K4-K6 PolarHBondContact O-N 3.34Å
5G48.3Very low60.3Low65 Ų65131.9 Ų131.967%0.6773%0.733SS**  trans-52.4130.3176.500000110.2A3 S7A3-G5 PolarHBondContact O-N 3.23Å; A3-G5 VanDerWaalsContact O-N 3.11Å; G5-S7 PolarHBondContact O-N 3.4Å
6K51.1Low62.2Low211 Ų211126.8 Ų126.892%0.91771%0.713SS**  trans-60.5102.6167.4-76.6173.9176174.20106.7K4 S8K4-K6 PolarHBondContact O-N 3.34Å; K6-S8 PolarHBondContact O-N 3.32Å; K6-S8 VanDerWaalsContact O-N 3.09Å
7S45.6Very low63.8Low94 Ų94130.4 Ų130.466%0.65771%0.713SS**  trans-53.4115.2166.850.30000107.7G5 N9G5-S7 PolarHBondContact O-N 3.4Å; S7-N9 PolarHBondContact O-N 3.29Å
8S50.1Low65.3Low113 Ų113127.1 Ų127.179%0.7969%0.692SS**  trans-63.985.6165.852.10000107.6K6 V10K6-S8 PolarHBondContact O-N 3.32Å; K6-S8 VanDerWaalsContact O-N 3.09Å; S8-V10 PolarHBondContact O-N 3.08Å; S8-V10 VanDerWaalsContact O-N 3.08Å
9N58.8Low66.6Low139 Ų139126.7 Ų126.774%0.74368%0.683SS**  trans-66.7109.3171.8-104.2-4.5000106.9S7S7-N9 PolarHBondContact O-N 3.29Å
10V67.4Low67.9Low126 Ų126125.2 Ų125.276%0.76467%0.674SS**PPolyproline II helixtrans-57128.7165.8-179.60000106.6S8 S12S8-V10 PolarHBondContact O-N 3.08Å; S8-V10 VanDerWaalsContact O-N 3.08Å; V10-S12 PolarHBondContact O-N 3.15Å
11P73.8Confident69.2Low83 Ų83119.9 Ų119.954%0.53965%0.648SS.*PPolyproline II helixtrans-58.8130.7178.722.5-30.8000108.9Q15P11-Q15 HydrophobicContact CB-CB 4.34Å
12S83.9Confident71.7Confident57 Ų57109.8 Ų109.840%0.39960%0.598SS.*PPolyproline II helixtrans-67.9154.8174.563.60000110.1V10 S14 Q15 A16V10-S12 PolarHBondContact O-N 3.15Å; S12-S14 PolarHBondContact O-N 2.96Å; S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.38Å; S12-Q15 PolarHBondContact O-N 3.17Å; S12-A16 PolarHBondContact O-N 3.41Å
13D88Confident74.4Confident130 Ų130101.1 Ų101.170%0.69556%0.564SS**Hα-helixtrans-53.4-32177.5-70.6-34.6000112.6A16 R17D13-A16 PolarHBondContact O-N 2.85Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 WeakPolarHBondContact O-CG 3.4Å; D13-R17 PolarHBondContact O-N 3.49Å
14S86.3Confident76.8Confident69 Ų6998.2 Ų98.248%0.48354%0.536SS..Hα-helixtrans-62.4-47.4173.6-170.90000111.9S12 A16 R17 E18S12-S14 PolarHBondContact O-N 2.96Å; S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.05Å; S14-R17 PolarHBondContact O-N 3.42Å; S14-E18 WeakPolarHBondContact O-CG 3.31Å; S14-E18 PolarHBondContact O-N 3.26Å
15Q88Confident79.2Confident105 Ų10589.9 Ų89.949%0.49150%0.499SS..Hα-helixtrans-63.8-38.2176.5-67.9175.912.600111.8P11 S12 E18 K19P11-Q15 HydrophobicContact CB-CB 4.34Å; S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.38Å; S12-Q15 PolarHBondContact O-N 3.17Å; Q15-E18 PolarHBondContact O-N 3.28Å; Q15-K19 WeakPolarHBondContact O-CB 3.2Å; Q15-K19 WeakPolarHBondContact O-CG 3.46Å; Q15-K19 PolarHBondContact O-N 3.37Å
16A89.6Confident81.3Confident50 Ų5087.4 Ų87.441%0.41347%0.47SS..Hα-helixtrans-63.9-44.117600000111.6S12 D13 S14 K19 L20S12-A16 PolarHBondContact O-N 3.41Å; D13-A16 PolarHBondContact O-N 2.85Å; S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.05Å; A16-K19 PolarHBondContact O-N 3.13Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 2.92Å
17R89.4Confident83.3Confident189 Ų18981.5 Ų81.571%0.71344%0.443SS*.Hα-helixtrans-61.8-43.5176-73.6171.1-174.6-163.32112.2D13 S14 L20 A21D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 WeakPolarHBondContact O-CG 3.4Å; D13-R17 PolarHBondContact O-N 3.49Å; S14-R17 PolarHBondContact O-N 3.42Å; R17-L20 PolarHBondContact O-N 2.96Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 2.99Å
18E90.6Very high85.6Confident71 Ų7178.6 Ų78.633%0.33242%0.42SS..Hα-helixtrans-62.7-44.8176.5-71.6-178.7174.800112S14 Q15 A21 L22 W46 K48S14-E18 WeakPolarHBondContact O-CG 3.31Å; S14-E18 PolarHBondContact O-N 3.26Å; Q15-E18 PolarHBondContact O-N 3.28Å; E18-A21 PolarHBondContact O-N 3.45Å; E18-L22 PolarHBondContact O-N 2.83Å; E18-L22 VanDerWaalsContact O-N 3.13Å; E18-W46 HydrophobicContact CB-CH2 4.24Å; E18-W46 HydrophobicContact CB-CZ3 4.41Å; E18-W46 WeakPolarHBondContact O-CH2 3.27Å; E18-K48 IonicContact OE1-NZ 2.69Å; E18-K48 PolarHBondContact OE1-NZ 3.13Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.81Å
19K91.1Very high87.6Confident120 Ų12074.3 Ų74.352%0.52239%0.388SS..Hα-helixtrans-64.5-41.9176.6-74.7-69.1-175.2179.40111.9Q15 A16 L22 Y23Q15-K19 WeakPolarHBondContact O-CB 3.2Å; Q15-K19 WeakPolarHBondContact O-CG 3.46Å; Q15-K19 PolarHBondContact O-N 3.37Å; A16-K19 PolarHBondContact O-N 3.13Å; K19-L22 PolarHBondContact O-N 3.18Å; K19-Y23 HydrophobicContact CB-CE2 4.16Å; K19-Y23 WeakPolarHBondContact O-CD2 3.45Å; K19-Y23 VanDerWaalsContact O-CG 3.32Å; K19-Y23 PolarHBondContact O-N 3.15Å
20L93Very high89.1Confident95 Ų9570.8 Ų70.850%0.49737%0.367SS..Hα-helixtrans-61-45.6176.4-179.562000111.3A16 R17 L22 Y23 V24 L59A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 2.92Å; R17-L20 PolarHBondContact O-N 2.96Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-Y23 PolarHBondContact O-N 3.5Å; L20-Y23 VanDerWaalsContact O-N 3.17Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.29Å; L20-L59 HydrophobicContact CD1-CD1 4.34Å
21A93.8Very high90.3Very high15 Ų1568.4 Ų68.412%0.12435%0.352CS..Hα-helixtrans-58.1-42.9176.800000111.8R17 E18 Y23 V24 Y25 F40 I44 W46R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 2.99Å; E18-A21 PolarHBondContact O-N 3.45Å; A21-Y23 PolarHBondContact O-N 2.99Å; A21-V24 PolarHBondContact O-N 3.25Å; A21-Y25 PolarHBondContact O-N 3.06Å; A21-F40 HydrophobicContact CB-CE1 4.28Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.43Å; A21-I44 HydrophobicContact CB-CD1 3.95Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å
22L93.4Very high91.1Very high29 Ų2967 Ų6715%0.15235%0.353CS..Hα-helixtrans-60.6-45.4175.5-174.8147.1000112E18 K19 L20 Y25 E26 W46E18-L22 PolarHBondContact O-N 2.83Å; E18-L22 VanDerWaalsContact O-N 3.13Å; K19-L22 PolarHBondContact O-N 3.18Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-Y25 PolarHBondContact O-N 3.5Å; L22-E26 PolarHBondContact O-N 2.91Å; L22-W46 HydrophobicContact CB-CH2 4.49Å; L22-W46 HydrophobicContact CB-CZ2 4.47Å; L22-W46 HydrophobicContact CD1-CZ2 4.49Å
23Y93.1Very high91.6Very high55 Ų5565.7 Ų65.722%0.21635%0.345CS..Hα-helixtrans-70.8-30.9179.7-59.2-44.6000113.3K19 L20 A21 Y27 F58K19-Y23 HydrophobicContact CB-CE2 4.16Å; K19-Y23 WeakPolarHBondContact O-CD2 3.45Å; K19-Y23 VanDerWaalsContact O-CG 3.32Å; K19-Y23 PolarHBondContact O-N 3.15Å; L20-Y23 PolarHBondContact O-N 3.5Å; L20-Y23 VanDerWaalsContact O-N 3.17Å; A21-Y23 PolarHBondContact O-N 2.99Å; Y23-Y27 WeakPolarHBondContact O-CB 3.49Å; Y23-Y27 PolarHBondContact O-N 3.12Å; Y23-F58 HydrophobicContact CD1-CB 3.69Å; Y23-F58 AromaticContact CD1-CD1 3.81Å; Y23-F58 HydrophobicContact CD1-CD1 3.81Å; Y23-F58 AromaticContact CD1-CG 3.98Å; Y23-F58 HydrophobicContact CD1-CG 3.98Å; Y23-F58 AromaticContact CD2-CD1 3.47Å; Y23-F58 HydrophobicContact CD2-CD1 3.47Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.47Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.41Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD2 4.45Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.38Å; Y23-F58 HydrophobicContact CE2-CD1 3.38Å; Y23-F58 AromaticContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CE1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CG 4.16Å; Y23-F58 HydrophobicContact CE2-CZ 4.22Å; Y23-F58 HydrophobicContact CG-CB 4.3Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.48Å; Y23-F58 HydrophobicContact CG-CG 4.33Å; Y23-F58 AromaticContact CZ-CD1 3.52Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.81Å
24V94.3Very high91.9Very high40 Ų4064.4 Ų64.424%0.24234%0.335CS..Hα-helixtrans-66.7-43.3171.9169.80000110.4L20 A21 Y27 L28 F40 L59L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.29Å; A21-V24 PolarHBondContact O-N 3.25Å; V24-Y27 WeakPolarHBondContact O-CB 3.41Å; V24-Y27 PolarHBondContact O-N 3.4Å; V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.31Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å
25Y93.6Very high92.3Very high32 Ų3269.8 Ų69.813%0.12535%0.35CS..Hα-helixtrans-60.9-47.8174.6173.8-101.9000111.9A21 L22 Y27 L28 L29 A37 L41 I50 L52A21-Y25 PolarHBondContact O-N 3.06Å; L22-Y25 PolarHBondContact O-N 3.5Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 2.87Å; Y25-L28 PolarHBondContact O-N 3.12Å; Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.67Å; Y25-A37 HydrophobicContact CD2-CB 3.76Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.62Å; Y25-L41 HydrophobicContact CD2-CD1 3.69Å; Y25-L41 HydrophobicContact CD2-CD2 3.71Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.34Å; Y25-L41 HydrophobicContact CE2-CD1 3.31Å; Y25-L41 HydrophobicContact CE2-CD2 4.25Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.34Å; Y25-L41 HydrophobicContact CG-CD2 3.92Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 3.8Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.73Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; Y25-L52 HydrophobicContact CD1-CD2 4.2Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å
26E92.9Very high92.7Very high12 Ų1268 Ų686%0.05635%0.349CS..Hα-helixtrans-56.1-45.8174.9179.3-176.6-138.200111.4L22 L28 L29 H30 L52 G53 F58L22-E26 PolarHBondContact O-N 2.91Å; E26-L28 PolarHBondContact O-N 3.22Å; E26-L29 PolarHBondContact O-N 2.92Å; E26-H30 VanDerWaalsContact CG-CE1 3.41Å; E26-H30 WeakPolarHBondContact CG-CE1 3.49Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 PolarHBondContact O-ND1 3.25Å; E26-H30 IonicContact OE1-CE1 3.7Å; E26-L52 HydrophobicContact CB-CD2 4.38Å; E26-L52 HydrophobicContact CG-CD2 4.48Å; E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.12Å; E26-G53 PolarHBondContact OE1-N 3.26Å; E26-F58 PolarHBondContact OE2-N 3.23Å; E26-F58 VanDerWaalsContact OE2-N 3.11Å
27Y93Very high92.9Very high88 Ų8865.6 Ų65.635%0.34533%0.329SS..Hα-helixtrans-59.3-48.1176.5170.9-103.3000112.2Y23 V24 Y25 L29 H30 V31 L59 H60Y23-Y27 WeakPolarHBondContact O-CB 3.49Å; Y23-Y27 PolarHBondContact O-N 3.12Å; V24-Y27 WeakPolarHBondContact O-CB 3.41Å; V24-Y27 PolarHBondContact O-N 3.4Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 2.87Å; Y27-L29 PolarHBondContact O-N 3.09Å; Y27-H30 PolarHBondContact O-N 3.44Å; Y27-H30 VanDerWaalsContact O-N 3.12Å; Y27-V31 HydrophobicContact CD2-CG1 3.91Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.39Å; Y27-V31 HydrophobicContact CG-CG1 4.5Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 3.47Å; Y27-L59 HydrophobicContact CG-CD2 4.28Å; Y27-H60 HydrophobicContact CD2-CB 4.3Å
28L93.9Very high93.1Very high33 Ų3363.4 Ų63.417%0.17333%0.327CS..Hα-helixtrans-58.6-37.1178.7-71.9171.1000111.7V24 Y25 E26 V31 G32 A33 A37 F40V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.31Å; Y25-L28 PolarHBondContact O-N 3.12Å; E26-L28 PolarHBondContact O-N 3.22Å; L28-V31 WeakPolarHBondContact O-CG2 3.25Å; L28-G32 PolarHBondContact O-N 3.31Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.08Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.42Å; L28-A33 PolarHBondContact O-N 2.92Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L28-F40 HydrophobicContact CD1-CB 4.16Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å
29L91.9Very high93.3Very high23 Ų2363.2 Ų63.212%0.1233%0.331CS..Hα-helixtrans-67.3-47.2174.4-68.4178.5000112.1Y25 E26 Y27 V31 G32 Q34 A37 L52Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.67Å; E26-L29 PolarHBondContact O-N 2.92Å; Y27-L29 PolarHBondContact O-N 3.09Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 2.93Å; L29-G32 PolarHBondContact O-N 3.4Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 3.39Å; L29-A37 HydrophobicContact CD2-CB 3.78Å; L29-A37 HydrophobicContact CG-CB 4.14Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.55Å; L29-L52 HydrophobicContact CD1-CG 4.25Å
30H89.9Confident93.5Very high64 Ų6459.8 Ų59.830%0.29632%0.316SS..Hα-helixtrans-65.5-32.2-178.3-70.7152.5000113.5E26 Y27 G32 P56 G57E26-H30 VanDerWaalsContact CG-CE1 3.41Å; E26-H30 WeakPolarHBondContact CG-CE1 3.49Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 PolarHBondContact O-ND1 3.25Å; E26-H30 IonicContact OE1-CE1 3.7Å; Y27-H30 PolarHBondContact O-N 3.44Å; Y27-H30 VanDerWaalsContact O-N 3.12Å; H30-G32 PolarHBondContact O-N 3.07Å; H30-P56 PolarHBondContact ND1-O 2.76Å; H30-G57 WeakPolarHBondContact ND1-CA 3.47Å; H30-G57 PolarHBondContact ND1-N 3.17Å
31V92.6Very high93.5Very high77 Ų7756.7 Ų56.747%0.46730%0.3SS..THydrogen-bonded Turntrans-81.21.4173.8-56.70000113.6Y27 L28 L29 A33Y27-V31 HydrophobicContact CD2-CG1 3.91Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.39Å; Y27-V31 HydrophobicContact CG-CG1 4.5Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 3.47Å; L28-V31 WeakPolarHBondContact O-CG2 3.25Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 2.93Å; V31-A33 HydrophobicContact CG2-CB 3.96Å
32G91.9Very high93.4Very high54 Ų5459.8 Ų59.856%0.55732%0.321SS*.THydrogen-bonded Turntrans82.57.7178.700000115L28 L29 H30 Q34L28-G32 PolarHBondContact O-N 3.31Å; L29-G32 PolarHBondContact O-N 3.4Å; H30-G32 PolarHBondContact O-N 3.07Å; G32-Q34 PolarHBondContact O-N 2.97Å
33A94.2Very high93.5Very high28 Ų2865.3 Ų65.323%0.23135%0.345CS..  trans-82.354.1179.200000112.4L28 V31 K35 S36 A37L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.08Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.42Å; L28-A33 PolarHBondContact O-N 2.92Å; V31-A33 HydrophobicContact CG2-CB 3.96Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.11Å; A33-S36 PolarHBondContact O-N 3.4Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-A37 PolarHBondContact O-N 3.26Å
34Q93.1Very high93.5Very high104 Ų10466.1 Ų66.149%0.48635%0.353SS..Hα-helixtrans-56.1-42.9-173.2-63.9-66.8-50.700113.4L29 G32 A37 Q38L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 3.39Å; G32-Q34 PolarHBondContact O-N 2.97Å; Q34-A37 PolarHBondContact O-N 3.13Å; Q34-Q38 PolarHBondContact O-N 2.96Å; Q34-Q38 VanDerWaalsContact O-N 3.13Å
35K95.6Very high93.4Very high182 Ų18274 Ų7479%0.79138%0.378SS*.Hα-helixtrans-64.7-45.8179-67.4-176.7-179.7179.80111.5A33 A37 Q38 T39A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.11Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.45Å; K35-Q38 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-N 3.08Å; K35-T39 PolarHBondContact O-OG1 3.34Å
36S96.4Very high93.4Very high66 Ų6675 Ų7546%0.46238%0.382SS..Hα-helixtrans-63.4-38.4177.1-550000111.7A33 Q38 T39 F40A33-S36 PolarHBondContact O-N 3.4Å; A33-S36 VanDerWaalsContact O-N 3.17Å; S36-Q38 PolarHBondContact O-N 3.18Å; S36-T39 PolarHBondContact O-N 3.25Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 PolarHBondContact O-N 3.3Å
37A94.1Very high93.1Very high0 Ų083.1 Ų83.10%042%0.42CS..Hα-helixtrans-60.4-45176.100000111.7Y25 L28 L29 A33 Q34 K35 L41Y25-A37 HydrophobicContact CD2-CB 3.76Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.62Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L29-A37 HydrophobicContact CD2-CB 3.78Å; L29-A37 HydrophobicContact CG-CB 4.14Å; A33-A37 PolarHBondContact O-N 3.26Å; Q34-A37 PolarHBondContact O-N 3.13Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.45Å; A37-L41 PolarHBondContact O-N 3.29Å
38Q91.9Very high92.8Very high143 Ų14384 Ų8467%0.66843%0.425SS*.Hα-helixtrans-67.5-45.4176.9-72.4-161.7-8.100112.9Q34 K35 S36 F40 L41 S42Q34-Q38 PolarHBondContact O-N 2.96Å; Q34-Q38 VanDerWaalsContact O-N 3.13Å; K35-Q38 PolarHBondContact O-N 3.4Å; S36-Q38 PolarHBondContact O-N 3.18Å; Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.44Å; Q38-L41 PolarHBondContact O-N 3.34Å; Q38-S42 PolarHBondContact O-N 3.34Å; Q38-S42 VanDerWaalsContact O-N 3.12Å
39T95.9Very high92.3Very high68 Ų6890.1 Ų90.142%0.41746%0.458SS..Hα-helixtrans-58.3-44.4176.2-600000110.8K35 S36 L41 S42 E43K35-T39 PolarHBondContact O-N 3.08Å; K35-T39 PolarHBondContact O-OG1 3.34Å; S36-T39 PolarHBondContact O-N 3.25Å; T39-L41 PolarHBondContact O-N 2.87Å; T39-S42 WeakPolarHBondContact CA-OG 3.46Å; T39-S42 PolarHBondContact O-N 3.31Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-S42 PolarHBondContact O-OG 3.34Å; T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.41Å; T39-E43 WeakPolarHBondContact O-CG 2.92Å; T39-E43 PolarHBondContact O-N 3.4Å
40F95.4Very high91.7Very high48 Ų4891.6 Ų91.621%0.21147%0.466CS..Hα-helixtrans-56.8-47.3178.2175.8-109000112.6A21 V24 L28 S36 Q38 S42 E43 I44A21-F40 HydrophobicContact CB-CE1 4.28Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.43Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CB 4.16Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 PolarHBondContact O-N 3.3Å; Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.44Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.42Å; F40-E43 PolarHBondContact O-N 2.87Å; F40-I44 HydrophobicContact CD1-CD1 4.3Å; F40-I44 HydrophobicContact CD2-CG2 4.35Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CG2 4Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.35Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.07Å
41L92.8Very high91.2Very high30 Ų3094.1 Ų94.116%0.15749%0.486CS..Hα-helixtrans-61.7-38.5176.2-68-174.2000112.7Y25 A37 Q38 T39 R45 W46 I50Y25-L41 HydrophobicContact CD2-CD1 3.69Å; Y25-L41 HydrophobicContact CD2-CD2 3.71Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.34Å; Y25-L41 HydrophobicContact CE2-CD1 3.31Å; Y25-L41 HydrophobicContact CE2-CD2 4.25Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.34Å; Y25-L41 HydrophobicContact CG-CD2 3.92Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 3.29Å; Q38-L41 PolarHBondContact O-N 3.34Å; T39-L41 PolarHBondContact O-N 2.87Å; L41-R45 PolarHBondContact O-N 2.86Å; L41-W46 HydrophobicContact CB-CB 4.18Å; L41-W46 HydrophobicContact CD2-CB 3.78Å; L41-W46 HydrophobicContact CD2-CD2 4.46Å; L41-W46 HydrophobicContact CD2-CG 3.79Å; L41-W46 PolarHBondContact O-N 3.35Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.88Å; L41-I50 HydrophobicContact CG-CD1 4.27Å
42S92.4Very high90.6Very high80 Ų8095.1 Ų95.156%0.55949%0.488SS*.Hα-helixtrans-68.6-39179.371.80000112.4Q38 T39 F40 R45Q38-S42 PolarHBondContact O-N 3.34Å; Q38-S42 VanDerWaalsContact O-N 3.12Å; T39-S42 WeakPolarHBondContact CA-OG 3.46Å; T39-S42 PolarHBondContact O-N 3.31Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-S42 PolarHBondContact O-OG 3.34Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.42Å; S42-R45 PolarHBondContact O-N 2.96Å
43E95.1Very high90Very high144 Ų14494.5 Ų94.567%0.67348%0.481SS*.Hα-helixtrans-68-41.6-179.1-76.2-179.3-175.100112T39 F40 R45T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.41Å; T39-E43 WeakPolarHBondContact O-CG 2.92Å; T39-E43 PolarHBondContact O-N 3.4Å; F40-E43 PolarHBondContact O-N 2.87Å; E43-R45 PolarHBondContact O-N 3.48Å
44I93.3Very high89.4Confident72 Ų72101.6 Ų101.637%0.36951%0.51SS..THydrogen-bonded Turntrans-82.21.4178.473-177.6000112.9A21 F40 W46A21-I44 HydrophobicContact CB-CD1 3.95Å; F40-I44 HydrophobicContact CD1-CD1 4.3Å; F40-I44 HydrophobicContact CD2-CG2 4.35Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CG2 4Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.35Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.07Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.07Å; I44-W46 HydrophobicContact CD1-CD2 4.33Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.43Å
45R92.2Very high88.8Confident207 Ų207101.1 Ų101.178%0.78152%0.516SS*.THydrogen-bonded Turntrans50.652.6-174.9-56.7-178.1180-166-0.9111.4L41 S42 E43 E47L41-R45 PolarHBondContact O-N 2.86Å; S42-R45 PolarHBondContact O-N 2.96Å; E43-R45 PolarHBondContact O-N 3.48Å; R45-E47 PolarHBondContact O-N 3.28Å
46W92.8Very high87.9Confident52 Ų5295.7 Ų95.720%0.19750%0.499CS..  trans-72.7115.6-177.9-169.2-93.6000111E18 A21 L22 L41 I44 K48E18-W46 HydrophobicContact CB-CH2 4.24Å; E18-W46 HydrophobicContact CB-CZ3 4.41Å; E18-W46 WeakPolarHBondContact O-CH2 3.27Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å; L22-W46 HydrophobicContact CB-CH2 4.49Å; L22-W46 HydrophobicContact CB-CZ2 4.47Å; L22-W46 HydrophobicContact CD1-CZ2 4.49Å; L41-W46 HydrophobicContact CB-CB 4.18Å; L41-W46 HydrophobicContact CD2-CB 3.78Å; L41-W46 HydrophobicContact CD2-CD2 4.46Å; L41-W46 HydrophobicContact CD2-CG 3.79Å; L41-W46 PolarHBondContact O-N 3.35Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.07Å; I44-W46 HydrophobicContact CD1-CD2 4.33Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.43Å; W46-K48 HydrophobicContact CZ2-CB 3.94Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.49Å; W46-K48 PolarHBondContact NE1-O 3.03Å
47E87.4Confident87.5Confident183 Ų18392.9 Ų92.986%0.85548%0.48SS*.  trans-110.40.1-177.4-66.9178.2-177.300113.3R45R45-E47 PolarHBondContact O-N 3.28Å
48K86.1Confident87.4Confident106 Ų10697 Ų9746%0.46150%0.499SS..SBendtrans-92.4147.1-175.3-54.1-172.8-170.6-169.50111.4E18 W46E18-K48 IonicContact OE1-NZ 2.69Å; E18-K48 PolarHBondContact OE1-NZ 3.13Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.81Å; W46-K48 HydrophobicContact CZ2-CB 3.94Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.49Å; W46-K48 PolarHBondContact NE1-O 3.03Å
49N82.4Confident87.5Confident162 Ų16292.5 Ų92.587%0.86648%0.479SS*.  trans-59.6140.8173.4-72.4-65.4000111.4
50I80.2Confident87.2Confident53 Ų5392.8 Ų92.827%0.27248%0.475SS..  trans-110.1120.5-178.2-54.6175.6000108.9Y25 L41 L52Y25-I50 HydrophobicContact CD1-CD1 3.8Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.73Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.88Å; L41-I50 HydrophobicContact CG-CD1 4.27Å; I50-L52 HydrophobicContact CG2-CD2 3.98Å; I50-L52 HydrophobicContact CG2-CG 4.35Å
51T79.6Confident87Confident118 Ų11892 Ų9272%0.72448%0.476SS*.  trans-102.1121166.653.30000108.6
52L80.4Confident87.1Confident98 Ų9898.1 Ų98.151%0.51350%0.497SS..  trans-88.7135.9179.1-64171.7000110.1Y25 E26 L29 I50Y25-L52 HydrophobicContact CD1-CD2 4.2Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å; E26-L52 HydrophobicContact CB-CD2 4.38Å; E26-L52 HydrophobicContact CG-CD2 4.48Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.55Å; L29-L52 HydrophobicContact CD1-CG 4.25Å; I50-L52 HydrophobicContact CG2-CD2 3.98Å; I50-L52 HydrophobicContact CG2-CG 4.35Å
53G78.9Confident87.3Confident40 Ų40101 Ų10141%0.41250%0.496SS..  trans-84.7-179.6171.800000112.2E26E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.12Å; E26-G53 PolarHBondContact OE1-N 3.26Å
54E81.8Confident87.1Confident177 Ų17797 Ų9783%0.82748%0.483SS*.SBendtrans-74.7144.5173.5-69.2-143.4162.200111.9G57E54-G57 PolarHBondContact O-N 3.26Å; E54-G57 VanDerWaalsContact O-N 3.07Å
55P80.4Confident87.1Confident94 Ų9496.2 Ų96.261%0.6148%0.481SS*.THydrogen-bonded Turntrans-60.5144173.425.6-33.5000110.7
56P76.9Confident87.2Confident68 Ų6891.5 Ų91.544%0.44247%0.467SS..THydrogen-bonded Turncis-85.44.71433.9-36.5000115.7H30 H60H30-P56 PolarHBondContact ND1-O 2.76Å; P56-H60 HydrophobicContact CB-CB 4.37Å; P56-H60 WeakPolarHBondContact O-CB 3.32Å
57G88.3Confident87.2Confident7 Ų794.8 Ų94.87%0.07248%0.479CS..  trans86.9164.6-178.400000114.1H30 E54 S61H30-G57 WeakPolarHBondContact ND1-CA 3.47Å; H30-G57 PolarHBondContact ND1-N 3.17Å; E54-G57 PolarHBondContact O-N 3.26Å; E54-G57 VanDerWaalsContact O-N 3.07Å; G57-S61 PolarHBondContact O-N 3.39Å; G57-S61 PolarHBondContact O-OG 2.83Å
58F91.1Very high87.5Confident87 Ų8788.1 Ų88.138%0.38245%0.449SS..Hα-helixtrans-67.1-47.4-172.8178.1-90.6000112.4Y23 E26 H60 S61 W62Y23-F58 HydrophobicContact CD1-CB 3.69Å; Y23-F58 AromaticContact CD1-CD1 3.81Å; Y23-F58 HydrophobicContact CD1-CD1 3.81Å; Y23-F58 AromaticContact CD1-CG 3.98Å; Y23-F58 HydrophobicContact CD1-CG 3.98Å; Y23-F58 AromaticContact CD2-CD1 3.47Å; Y23-F58 HydrophobicContact CD2-CD1 3.47Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.47Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.41Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD2 4.45Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.38Å; Y23-F58 HydrophobicContact CE2-CD1 3.38Å; Y23-F58 AromaticContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CE1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CG 4.16Å; Y23-F58 HydrophobicContact CE2-CZ 4.22Å; Y23-F58 HydrophobicContact CG-CB 4.3Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.48Å; Y23-F58 HydrophobicContact CG-CG 4.33Å; Y23-F58 AromaticContact CZ-CD1 3.52Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.81Å; E26-F58 PolarHBondContact OE2-N 3.23Å; E26-F58 VanDerWaalsContact OE2-N 3.11Å; F58-H60 PolarHBondContact O-N 3.3Å; F58-S61 PolarHBondContact O-N 3.5Å; F58-W62 AromaticContact CD2-CD1 3.72Å; F58-W62 AromaticContact CE1-CD1 3.68Å; F58-W62 HydrophobicContact CE1-CG 4.29Å; F58-W62 AromaticContact CE2-CD1 3.27Å; F58-W62 HydrophobicContact CE2-CG 4.44Å; F58-W62 AromaticContact CE2-NE1 3.25Å; F58-W62 VanDerWaalsContact CE2-NE1 3.25Å; F58-W62 AromaticContact CZ-CD1 3.24Å; F58-W62 HydrophobicContact CZ-CG 4.09Å; F58-W62 AromaticContact CZ-NE1 3.38Å; F58-W62 PolarHBondContact O-N 3.22Å
59L93Very high87.8Confident48 Ų4885.5 Ų85.525%0.25144%0.44SS..Hα-helixtrans-61-45.2-175.6-17362.2000111.6L20 V24 Y27 W63L20-L59 HydrophobicContact CD1-CD1 4.34Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å; Y27-L59 HydrophobicContact CG-CD2 4.28Å; L59-W63 WeakPolarHBondContact O-CB 3.11Å; L59-W63 PolarHBondContact O-N 3.47Å
60H91.3Very high88.1Confident75 Ų7581.9 Ų81.935%0.34742%0.415SS..Hα-helixtrans-64.4-47.3-178.2-17276.6000111.2Y27 P56 F58 W62 W63 C64Y27-H60 HydrophobicContact CD2-CB 4.3Å; P56-H60 HydrophobicContact CB-CB 4.37Å; P56-H60 WeakPolarHBondContact O-CB 3.32Å; F58-H60 PolarHBondContact O-N 3.3Å; H60-W62 PolarHBondContact O-N 2.72Å; H60-W63 PolarHBondContact O-N 2.97Å; H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 2.91Å
61S91.5Very high88.6Confident31 Ų3179.5 Ų79.522%0.21740%0.403CS..Hα-helixtrans-59.1-47.9180-55.40000111.8G57 F58 C64 V65G57-S61 PolarHBondContact O-N 3.39Å; G57-S61 PolarHBondContact O-OG 2.83Å; F58-S61 PolarHBondContact O-N 3.5Å; S61-C64 PolarHBondContact O-N 2.93Å; S61-V65 PolarHBondContact O-N 3.47Å
62W94.6Very high89Confident159 Ų15973.9 Ų73.960%0.60237%0.368SS*.Hα-helixtrans-69.1-38178.4-94100.1000113.1F58 H60 C64 V65 F66F58-W62 AromaticContact CD2-CD1 3.72Å; F58-W62 AromaticContact CE1-CD1 3.68Å; F58-W62 HydrophobicContact CE1-CG 4.29Å; F58-W62 AromaticContact CE2-CD1 3.27Å; F58-W62 HydrophobicContact CE2-CG 4.44Å; F58-W62 AromaticContact CE2-NE1 3.25Å; F58-W62 VanDerWaalsContact CE2-NE1 3.25Å; F58-W62 AromaticContact CZ-CD1 3.24Å; F58-W62 HydrophobicContact CZ-CG 4.09Å; F58-W62 AromaticContact CZ-NE1 3.38Å; F58-W62 PolarHBondContact O-N 3.22Å; H60-W62 PolarHBondContact O-N 2.72Å; W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.34Å; W62-V65 PolarHBondContact O-N 3.32Å; W62-F66 WeakPolarHBondContact O-CB 3.46Å; W62-F66 PolarHBondContact O-N 2.93Å
63W95Very high89.3Confident141 Ų14169.9 Ų69.953%0.53435%0.349SS..Hα-helixtrans-63.4-40.3176.4-178.1-104.9000111.8L59 H60 V65 F66 W67L59-W63 WeakPolarHBondContact O-CB 3.11Å; L59-W63 PolarHBondContact O-N 3.47Å; H60-W63 PolarHBondContact O-N 2.97Å; W63-V65 PolarHBondContact O-N 3.49Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.5Å; W63-F66 HydrophobicContact CH2-CD1 4.1Å; W63-F66 HydrophobicContact CH2-CE1 4.03Å; W63-F66 AromaticContact CZ3-CD1 3.6Å; W63-F66 HydrophobicContact CZ3-CD1 3.6Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.5Å; W63-W67 HydrophobicContact CZ2-CE3 4.2Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.36Å; W63-W67 PolarHBondContact O-N 3.41Å
64C92.9Very high89.1Confident60 Ų6071.5 Ų71.541%0.40535%0.352SS..Hα-helixtrans-59.3-45.8174.8-72.60000111.9H60 S61 W62 W67 D68H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 2.91Å; S61-C64 PolarHBondContact O-N 2.93Å; W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.34Å; C64-W67 PolarHBondContact O-N 3.47Å; C64-D68 VanDerWaalsContact O-CB 3.27Å; C64-D68 WeakPolarHBondContact O-CB 3.02Å; C64-D68 PolarHBondContact O-N 3.37Å
65V92.9Very high89Confident55 Ų5571.1 Ų71.133%0.33335%0.351SS..Hα-helixtrans-64-45.5177.1176.10000111.2S61 W62 W63 W67 D68 L69 F124S61-V65 PolarHBondContact O-N 3.47Å; W62-V65 PolarHBondContact O-N 3.32Å; W63-V65 PolarHBondContact O-N 3.49Å; V65-W67 PolarHBondContact O-N 3.17Å; V65-D68 PolarHBondContact O-N 3.4Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 PolarHBondContact O-N 3.35Å; V65-F124 HydrophobicContact CG2-CE1 3.78Å; V65-F124 HydrophobicContact CG2-CZ 4.25Å
66F94.4Very high88.9Confident108 Ų10871.3 Ų71.347%0.47434%0.339SS..Hα-helixtrans-59.8-47.3177.9171.9-96.7000111.6W62 W63 D68 L69 Y70W62-F66 WeakPolarHBondContact O-CB 3.46Å; W62-F66 PolarHBondContact O-N 2.93Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.5Å; W63-F66 HydrophobicContact CH2-CD1 4.1Å; W63-F66 HydrophobicContact CH2-CE1 4.03Å; W63-F66 AromaticContact CZ3-CD1 3.6Å; W63-F66 HydrophobicContact CZ3-CD1 3.6Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.5Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-D68 PolarHBondContact O-N 2.85Å; F66-L69 PolarHBondContact O-N 2.98Å; F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.31Å; F66-Y70 PolarHBondContact O-N 2.98Å
67W92.6Very high88.7Confident121 Ų12171.9 Ų71.946%0.45833%0.333SS..Hα-helixtrans-63.4-42.1180-175.6-101.9000111.9W63 C64 V65 Y70 C71W63-W67 HydrophobicContact CZ2-CE3 4.2Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.36Å; W63-W67 PolarHBondContact O-N 3.41Å; C64-W67 PolarHBondContact O-N 3.47Å; V65-W67 PolarHBondContact O-N 3.17Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.27Å; W67-Y70 HydrophobicContact CH2-CE1 4.12Å; W67-Y70 AromaticContact CZ3-CD1 3.76Å; W67-Y70 HydrophobicContact CZ3-CD1 3.76Å; W67-Y70 AromaticContact CZ3-CE1 3.75Å; W67-Y70 HydrophobicContact CZ3-CE1 3.75Å; W67-Y70 WeakPolarHBondContact O-CB 3.13Å; W67-Y70 PolarHBondContact O-N 3.46Å; W67-C71 WeakPolarHBondContact O-CB 3.41Å; W67-C71 PolarHBondContact O-N 2.69Å
68D92.6Very high88Confident42 Ų4278.6 Ų78.623%0.22537%0.367CS..Hα-helixtrans-62.5-44.5177-169.833.6000111.6C64 V65 F66 Y70 C71 A72 H82 S83 A86C64-D68 VanDerWaalsContact O-CB 3.27Å; C64-D68 WeakPolarHBondContact O-CB 3.02Å; C64-D68 PolarHBondContact O-N 3.37Å; V65-D68 PolarHBondContact O-N 3.4Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-D68 PolarHBondContact O-N 2.85Å; D68-Y70 VanDerWaalsContact C-N 3.34Å; D68-Y70 PolarHBondContact O-N 2.66Å; D68-C71 PolarHBondContact O-N 3.13Å; D68-A72 VanDerWaalsContact O-CB 3.31Å; D68-A72 WeakPolarHBondContact O-CB 3.26Å; D68-A72 PolarHBondContact O-N 3.36Å; D68-H82 WeakPolarHBondContact OD1-CA 3.36Å; D68-S83 WeakPolarHBondContact OD1-CB 3.5Å; D68-S83 PolarHBondContact OD1-N 2.97Å; D68-S83 WeakPolarHBondContact OD2-CB 3.23Å; D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.29Å
69L92.3Very high87.3Confident51 Ų5180.7 Ų80.727%0.26739%0.387SS..Hα-helixtrans-65.3-37.8174.6-169.867.4000112.4V65 F66 A72 A73 F89 H90V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 PolarHBondContact O-N 3.35Å; F66-L69 PolarHBondContact O-N 2.98Å; L69-A72 PolarHBondContact O-N 3.47Å; L69-A73 PolarHBondContact O-N 2.94Å; L69-F89 HydrophobicContact CD1-CB 4.25Å; L69-F89 HydrophobicContact CD1-CD1 3.67Å; L69-F89 HydrophobicContact CD1-CE1 4.43Å; L69-F89 HydrophobicContact CD1-CG 4.27Å; L69-F89 HydrophobicContact CD2-CD1 4.5Å; L69-H90 VanDerWaalsContact CD1-CD2 3.45Å; L69-H90 WeakPolarHBondContact CD1-CD2 3.09Å; L69-H90 WeakPolarHBondContact CD1-NE2 3.4Å; L69-H90 WeakPolarHBondContact CG-NE2 3.4Å; L69-H90 PolarHBondContact O-NE2 3.05Å
70Y89.6Confident86.6Confident86 Ų8680.2 Ų80.234%0.33739%0.387SS..Hα-helixtrans-66.2-40.8176.7176.7-107.7000112.1F66 W67 D68 A73 R76F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.31Å; F66-Y70 PolarHBondContact O-N 2.98Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.27Å; W67-Y70 HydrophobicContact CH2-CE1 4.12Å; W67-Y70 AromaticContact CZ3-CD1 3.76Å; W67-Y70 HydrophobicContact CZ3-CD1 3.76Å; W67-Y70 AromaticContact CZ3-CE1 3.75Å; W67-Y70 HydrophobicContact CZ3-CE1 3.75Å; W67-Y70 WeakPolarHBondContact O-CB 3.13Å; W67-Y70 PolarHBondContact O-N 3.46Å; D68-Y70 VanDerWaalsContact C-N 3.34Å; D68-Y70 PolarHBondContact O-N 2.66Å; Y70-A73 VanDerWaalsContact O-CB 3.23Å; Y70-A73 WeakPolarHBondContact O-CB 3.43Å; Y70-A73 PolarHBondContact O-N 2.85Å; Y70-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å
71C90.6Very high86Confident4 Ų485.6 Ų85.63%0.02741%0.413CS..Hα-helixtrans-70.7-33.7174.9-83.20000112.8W67 D68 A73 R77 C80 H82W67-C71 WeakPolarHBondContact O-CB 3.41Å; W67-C71 PolarHBondContact O-N 2.69Å; D68-C71 PolarHBondContact O-N 3.13Å; C71-A73 PolarHBondContact O-N 2.98Å; C71-R77 VanDerWaalsContact O-CA 3.29Å; C71-R77 WeakPolarHBondContact O-CA 3.48Å; C71-R77 PolarHBondContact O-N 3Å; C71-C80 HydrophobicContact CB-CB 3.57Å; C71-C80 WeakPolarHBondContact CB-SG 3.45Å; C71-C80 WeakPolarHBondContact SG-CB 3.22Å; C71-C80 CovalentContact SG-SG 2.05Å; C71-C80 PolarHBondContact SG-SG 3.48Å; C71-H82 HydrophobicContact CB-CB 4.02Å
72A87.3Confident85.8Confident0 Ų087 Ų870%042%0.415CS..THydrogen-bonded Turntrans-73.6-7174.800000114.2D68 L69 H82 A86D68-A72 VanDerWaalsContact O-CB 3.31Å; D68-A72 WeakPolarHBondContact O-CB 3.26Å; D68-A72 PolarHBondContact O-N 3.36Å; L69-A72 PolarHBondContact O-N 3.47Å; A72-H82 HydrophobicContact CB-CB 3.98Å; A72-A86 HydrophobicContact CB-CB 3.6Å
73A86.6Confident85.5Confident14 Ų1481.1 Ų81.112%0.11640%0.399CS..SBendtrans-57138.3179.200000110.7L69 Y70 C71 E75 R76 R77L69-A73 PolarHBondContact O-N 2.94Å; Y70-A73 VanDerWaalsContact O-CB 3.23Å; Y70-A73 WeakPolarHBondContact O-CB 3.43Å; Y70-A73 PolarHBondContact O-N 2.85Å; C71-A73 PolarHBondContact O-N 2.98Å; A73-E75 PolarHBondContact O-N 3.31Å; A73-R76 PolarHBondContact O-N 2.05Å; A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 PolarHBondContact O-N 3.32Å
74P76.2Confident85Confident73 Ų7379 Ų7947%0.47441%0.405SS..THydrogen-bonded Turntrans-53.9-31.1-173.7-2733.4000114.5R76P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.42Å
75E80Confident84.8Confident169 Ų16982.4 Ų82.479%0.7942%0.415SS*.THydrogen-bonded Turntrans-72.4-19.1-179.9-63.5163.7-173.800113.8A73A73-E75 PolarHBondContact O-N 3.31Å
76R77.7Confident84.5Confident98 Ų9880.2 Ų80.237%0.3740%0.403SS..THydrogen-bonded Turntrans-129-17.3-164.8-62.2169.5-169.3-121.912113.6Y70 A73 P74 D78 T79 C80Y70-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å; A73-R76 PolarHBondContact O-N 2.05Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.42Å; R76-D78 PolarHBondContact O-N 3.37Å; R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å
77R73Confident84.1Confident80 Ų8078.6 Ų78.630%0.30240%0.396SS..THydrogen-bonded Turntrans-59.7-19.9-172.669.4178.1-176.2-171.8-0.5115.3C71 A73 T79 D91C71-R77 VanDerWaalsContact O-CA 3.29Å; C71-R77 WeakPolarHBondContact O-CA 3.48Å; C71-R77 PolarHBondContact O-N 3Å; A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 PolarHBondContact O-N 3.32Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 3.24Å; R77-D91 IonicContact NH1-OD1 3.11Å; R77-D91 PolarHBondContact NH1-OD1 3.44Å; R77-D91 VanDerWaalsContact NH1-OD1 3.11Å
78D72.9Confident83.8Confident149 Ų14974.5 Ų74.580%0.79739%0.388SS*.THydrogen-bonded Turntrans-79.2-10.9176.8-58.6-32.8000113.1R76R76-D78 PolarHBondContact O-N 3.37Å
79T77.1Confident83.6Confident131 Ų13178.4 Ų78.480%0.80440%0.403SS*.THydrogen-bonded Turntrans-119.3-18.8-174.5620000114.6R76 R77R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.49Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 3.24Å
80C77.8Confident83.3Confident37 Ų3778.1 Ų78.125%0.2540%0.4CS..SBendtrans-118.5135.3-178.2-172.50000110.8C71 R76 H82C71-C80 HydrophobicContact CB-CB 3.57Å; C71-C80 WeakPolarHBondContact CB-SG 3.45Å; C71-C80 WeakPolarHBondContact SG-CB 3.22Å; C71-C80 CovalentContact SG-SG 2.05Å; C71-C80 PolarHBondContact SG-SG 3.48Å; R76-C80 PolarHBondContact O-N 3.44Å; C80-H82 PolarHBondContact O-CD2 2.83Å; C80-H82 VanDerWaalsContact O-CD2 3.31Å; C80-H82 PolarHBondContact O-N 3.25Å
81E79.5Confident83Confident189 Ų18977 Ų7788%0.88340%0.4SS*.  trans-64.3131.9168.5-71.2-168.8157.400110.2
82H87.3Confident82.5Confident59 Ų5985.1 Ų85.127%0.27343%0.431SS..  trans-144157.8-178.861.565.4000111.2D68 C71 A72 C80D68-H82 WeakPolarHBondContact OD1-CA 3.36Å; C71-H82 HydrophobicContact CB-CB 4.02Å; A72-H82 HydrophobicContact CB-CB 3.98Å; C80-H82 PolarHBondContact O-CD2 2.83Å; C80-H82 VanDerWaalsContact O-CD2 3.31Å; C80-H82 PolarHBondContact O-N 3.25Å
83S86.7Confident81.8Confident37 Ų3788.3 Ų88.326%0.25945%0.453SS..  trans-69151.8175.2-174.50000111.8D68 E85 K87D68-S83 WeakPolarHBondContact OD1-CB 3.5Å; D68-S83 PolarHBondContact OD1-N 2.97Å; D68-S83 WeakPolarHBondContact OD2-CB 3.23Å; S83-E85 PolarHBondContact O-N 3.36Å; S83-E85 PolarHBondContact OG-N 3.03Å; S83-K87 PolarHBondContact O-N 2.97Å
84S84.3Confident80.8Confident96 Ų9690.8 Ų90.867%0.67147%0.474SS*.Hα-helixtrans-65.2-28.9170.9520000112.5A88S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.4Å
85E88.8Confident80.1Confident131 Ų13191.1 Ų91.161%0.61248%0.483SS*.Hα-helixtrans-69.7-44.8178.3-64.4-179.5157.200111.6S83 K87 A88 F89S83-E85 PolarHBondContact O-N 3.36Å; S83-E85 PolarHBondContact OG-N 3.03Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.27Å; E85-A88 PolarHBondContact O-N 2.86Å; E85-F89 PolarHBondContact O-N 3.24Å
86A87.2Confident79Confident9 Ų987 Ų877%0.07448%0.477CS..Hα-helixtrans-64.3-39.1176.800000112.1D68 A72 F89 H90D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.29Å; A72-A86 HydrophobicContact CB-CB 3.6Å; A86-F89 PolarHBondContact O-N 3.27Å; A86-H90 PolarHBondContact O-N 3.36Å
87K86.1Confident77.4Confident74 Ų7484.8 Ų84.832%0.32248%0.481SS..Hα-helixtrans-61.4-46.9172.5-177.4179.5-177.3-63.40111.4S83 E85 F89 H90 D91S83-K87 PolarHBondContact O-N 2.97Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.27Å; K87-F89 VanDerWaalsContact C-N 3.28Å; K87-F89 PolarHBondContact O-N 2.92Å; K87-H90 PolarHBondContact O-N 3.01Å; K87-D91 WeakPolarHBondContact CG-OD2 3.42Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 2.68Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.42Å
88A86.8Confident76Confident35 Ų3586.9 Ų86.929%0.28951%0.505SS..Hα-helixtrans-60.5-38.9178.600000111.7S84 E85 D91 Y92S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.4Å; E85-A88 PolarHBondContact O-N 2.86Å; A88-D91 PolarHBondContact O-N 3.04Å; A88-Y92 HydrophobicContact CB-CD2 4.25Å; A88-Y92 HydrophobicContact CB-CE2 4.23Å; A88-Y92 WeakPolarHBondContact O-CB 3.45Å; A88-Y92 WeakPolarHBondContact O-CD2 3.25Å; A88-Y92 PolarHBondContact O-N 3.11Å
89F88Confident74.3Confident124 Ų12484.2 Ų84.254%0.54450%0.498SS..Hα-helixtrans-59.4-48.4177.1-170.5-91.2000112.2L69 E85 A86 K87 S93L69-F89 HydrophobicContact CD1-CB 4.25Å; L69-F89 HydrophobicContact CD1-CD1 3.67Å; L69-F89 HydrophobicContact CD1-CE1 4.43Å; L69-F89 HydrophobicContact CD1-CG 4.27Å; L69-F89 HydrophobicContact CD2-CD1 4.5Å; E85-F89 PolarHBondContact O-N 3.24Å; A86-F89 PolarHBondContact O-N 3.27Å; K87-F89 VanDerWaalsContact C-N 3.28Å; K87-F89 PolarHBondContact O-N 2.92Å; F89-S93 WeakPolarHBondContact O-CB 3.47Å; F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.5Å
90H86.1Confident72.8Confident46 Ų4684.2 Ų84.221%0.21350%0.5CS..Hα-helixtrans-64.6-42.6175.2-80.4-70.2000112.7L69 A86 K87 Y92 S93 A94L69-H90 VanDerWaalsContact CD1-CD2 3.45Å; L69-H90 WeakPolarHBondContact CD1-CD2 3.09Å; L69-H90 WeakPolarHBondContact CD1-NE2 3.4Å; L69-H90 WeakPolarHBondContact CG-NE2 3.4Å; L69-H90 PolarHBondContact O-NE2 3.05Å; A86-H90 PolarHBondContact O-N 3.36Å; K87-H90 PolarHBondContact O-N 3.01Å; H90-Y92 PolarHBondContact O-N 2.98Å; H90-S93 PolarHBondContact O-N 2.9Å; H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 3.23Å
91D82.3Confident71.4Confident61 Ų6188.4 Ų88.433%0.32652%0.524SS..Hα-helixtrans-65.7-38.9-179.3-70.1-22.2000111.4R77 K87 A88 A95R77-D91 IonicContact NH1-OD1 3.11Å; R77-D91 PolarHBondContact NH1-OD1 3.44Å; R77-D91 VanDerWaalsContact NH1-OD1 3.11Å; K87-D91 WeakPolarHBondContact CG-OD2 3.42Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 2.68Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.42Å; A88-D91 PolarHBondContact O-N 3.04Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.25Å; D91-A95 PolarHBondContact O-N 2.94Å
92Y80.3Confident69.8Low176 Ų17685.4 Ų85.469%0.6951%0.513SS*.Hα-helixtrans-71.6-39.2174.3-78.6-61.7000112.5A88 H90 A94 A95 A96A88-Y92 HydrophobicContact CB-CD2 4.25Å; A88-Y92 HydrophobicContact CB-CE2 4.23Å; A88-Y92 WeakPolarHBondContact O-CB 3.45Å; A88-Y92 WeakPolarHBondContact O-CD2 3.25Å; A88-Y92 PolarHBondContact O-N 3.11Å; H90-Y92 PolarHBondContact O-N 2.98Å; Y92-A94 VanDerWaalsContact C-N 3.31Å; Y92-A94 PolarHBondContact O-N 2.64Å; Y92-A95 PolarHBondContact O-N 3.31Å; Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3Å
93S73.8Confident67.8Low66 Ų6686.2 Ų86.246%0.46254%0.538SS..Hα-helixtrans-64.1-37.4173.5-71.80000112.1F89 H90 A96 A97F89-S93 WeakPolarHBondContact O-CB 3.47Å; F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.5Å; H90-S93 PolarHBondContact O-N 2.9Å; S93-A96 PolarHBondContact O-N 3.45Å; S93-A97 PolarHBondContact O-N 3.36Å
94A65.1Low65.8Low67 Ų6791.6 Ų91.655%0.55456%0.563SS**Hα-helixtrans-70.6-35.1174.700000112.4H90 Y92H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 3.23Å; Y92-A94 VanDerWaalsContact C-N 3.31Å; Y92-A94 PolarHBondContact O-N 2.64Å
95A60.8Low63.9Low80 Ų8093.5 Ų93.566%0.66157%0.565SS**Hα-helixtrans-76.5-23.8175.300000113.6D91 Y92D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.25Å; D91-A95 PolarHBondContact O-N 2.94Å; Y92-A95 PolarHBondContact O-N 3.31Å
96A58.1Low61.6Low81 Ų8192.6 Ų92.667%0.66957%0.571SS**Hα-helixtrans-85.6-10.1175.200000113.2Y92 S93Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3Å; S93-A96 PolarHBondContact O-N 3.45Å
97A44.5Very low59.6Low53 Ų5398.8 Ų98.844%0.43861%0.61SS.*SBendtrans-66.1126.6164.400000108.2S93 S99S93-A97 PolarHBondContact O-N 3.36Å; A97-S99 PolarHBondContact O-N 3.38Å
98P42.3Very low57.9Low124 Ų12498.5 Ų98.581%0.80563%0.628SS**  trans-60.7107.117225.2-31.4000107.5
99S36.8Very low55.6Low93 Ų93105.5 Ų105.565%0.6566%0.655SS**  trans-55.7130.9173-84.30000108.5A97 V101A97-S99 PolarHBondContact O-N 3.38Å; S99-V101 PolarHBondContact O-N 2.79Å
100P46Very low53.6Low130 Ų130105.4 Ų105.484%0.84467%0.67SS**THydrogen-bonded Turntrans-72.719.9-179.830.3-34.9000113.4
101V49Very low51.6Low125 Ų125110.4 Ų110.476%0.75870%0.697SS**THydrogen-bonded Turntrans-96.19.7-172.5175.60000112.9S99S99-V101 PolarHBondContact O-N 2.79Å
102L45Very low49.6Very low127 Ų127113.3 Ų113.367%0.66572%0.719SS**  trans-128.250.5177.5-132.895.3000114.5N104 L105L102-N104 PolarHBondContact O-N 2.84Å; L102-L105 HydrophobicContact CD2-CB 4.4Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CD2-CG 4Å
103G44.9Very low48Very low76 Ų76111.5 Ų111.578%0.78473%0.727SS**  trans-73.958.2158.700000111.9
104N45.9Very low46.5Very low149 Ų149110.9 Ų110.980%0.79773%0.73SS**  trans-171.257.4161-135.864.3000116.3L102L102-N104 PolarHBondContact O-N 2.84Å
105L44.6Very low45.7Very low136 Ų136113.8 Ų113.871%0.71274%0.744SS**  trans-134.2134.8160.6-77.2175.9000111.7L102L102-L105 HydrophobicContact CD2-CB 4.4Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CD2-CG 4Å
106P39.2Very low45.3Very low112 Ų112115.3 Ų115.373%0.72774%0.744SS**  trans-70.3153.5-177.429.9-34000111.9G108P106-G108 PolarHBondContact O-N 3.49Å
107P45.2Very low44.7Very low140 Ų140116.3 Ų116.391%0.90974%0.744SS**SBendtrans-81.4111.8-171.732-30.4000110.1
108G50.7Low44.7Very low68 Ų68120.5 Ų120.570%0.70177%0.767SS**  trans152.355.8162.600000117P106P106-G108 PolarHBondContact O-N 3.49Å
109E38.1Very low45.1Very low182 Ų182116.9 Ų116.985%0.8575%0.752SS**  trans-140.5106.2156.1-67.5-165.7175.900109.9L111E109-L111 PolarHBondContact O-N 3.32Å
110S46.3Very low45.7Very low122 Ų122120.3 Ų120.385%0.85376%0.756SS**  trans-64112.7170.149.90000110
111L43.8Very low45.5Very low151 Ų151123 Ų12379%0.79175%0.754SS**  trans-100.2140.9165.7-68.7176.9000110.2E109 V113E109-L111 PolarHBondContact O-N 3.32Å; L111-V113 PolarHBondContact O-N 2.94Å
112P42.3Very low45.3Very low121 Ų121124.3 Ų124.379%0.78675%0.752SS**  trans-71.2123.1-17028.6-33.1000110.4G114P112-G114 PolarHBondContact O-N 3.2Å
113V46Very low45.1Very low139 Ų139123.3 Ų123.384%0.84275%0.754SS**  trans-55.9106.4163.5175.30000107.2L111L111-V113 PolarHBondContact O-N 2.94Å
114G41.8Very low45.3Very low52 Ų52127 Ų12754%0.53675%0.748SS.*PPolyproline II helixtrans-60145.4175.100000110.7P112 V116P112-G114 PolarHBondContact O-N 3.2Å; G114-V116 PolarHBondContact O-N 3.27Å
115P48.2Very low45.4Very low129 Ų129126.5 Ų126.584%0.83874%0.743SS**PPolyproline II helixtrans-66.2128.1-175.725.5-31.6000110.7
116V53Low44.9Very low111 Ų111125.2 Ų125.267%0.67375%0.745SS**PPolyproline II helixtrans-58128.8172.7-151.10000108.6G114G114-V116 PolarHBondContact O-N 3.27Å
117P45.8Very low44.8Very low102 Ų102124.9 Ų124.966%0.66274%0.743SS**PPolyproline II helixtrans-63134.7179.721.6-30.1000110.8G119P117-G119 PolarHBondContact O-N 3.34Å
118P43.8Very low44.9Very low141 Ų141129.7 Ų129.792%0.91674%0.743SS**THydrogen-bonded Turntrans-70.9100.8-179.627.7-30.9000109.2
119G51.1Low44.2Very low49 Ų49136.3 Ų136.351%0.50575%0.748SS.*THydrogen-bonded Turntrans168.3-10.4-176.900000114.9P117 F121P117-G119 PolarHBondContact O-N 3.34Å; G119-F121 PolarHBondContact O-N 3.08Å; G119-F121 VanDerWaalsContact O-N 3.13Å
120F50.1Low44.5Very low164 Ų164134 Ų13472%0.71975%0.749SS**SBendtrans-65.3-13-176.9-165.9-102.5000115.3
121F40.2Very low44.5Very low186 Ų186131.9 Ų131.982%0.81675%0.746SS**  trans-125.867.4175.2-74.7-85.3000110.7G119G119-F121 PolarHBondContact O-N 3.08Å; G119-F121 VanDerWaalsContact O-N 3.13Å
122Q44.7Very low44.2Very low154 Ų154127.8 Ų127.872%0.7274%0.741SS**  trans-89.3141.4156.1-69.9-67.6-52.300108.2F124Q122-F124 PolarHBondContact O-N 2.82Å; Q122-F124 VanDerWaalsContact O-N 3.17Å
123P40.6Very low44.1Very low106 Ų106128.4 Ų128.469%0.68875%0.745SS**  trans-56.5124.7173.1-1829.6000109.1M125P123-M125 PolarHBondContact O-N 3.09Å
124F49.6Very low44.2Very low152 Ų152132.9 Ų132.967%0.66775%0.747SS**SBendtrans-69.543.1179.9-167.3-97.9000112.3V65 Q122V65-F124 HydrophobicContact CG2-CE1 3.78Å; V65-F124 HydrophobicContact CG2-CZ 4.25Å; Q122-F124 PolarHBondContact O-N 2.82Å; Q122-F124 VanDerWaalsContact O-N 3.17Å
125M47.3Very low44.1Very low140 Ų140135.6 Ų135.669%0.6975%0.754SS**  trans-145.777.7179.6-75.5-73.5146.500108P123P123-M125 PolarHBondContact O-N 3.09Å
126S35.1Very low43.8Very low108 Ų108135.6 Ų135.676%0.75575%0.754SS**  trans-90.9124.2154.5-72.50000108R128S126-R128 PolarHBondContact O-N 2.93Å; S126-R128 VanDerWaalsContact O-N 3.13Å
127P38Very low43.3Very low106 Ų106138.6 Ų138.669%0.68877%0.766SS**  trans-57.9117.1171.3-21.532000109.3Y129P127-Y129 HydrophobicContact CB-CD2 4.1Å; P127-Y129 HydrophobicContact CB-CE2 4.39Å; P127-Y129 PolarHBondContact O-N 3.35Å
128R47.3Very low43Very low240 Ų240145.6 Ų145.691%0.90678%0.779SS**  trans-69.679.9167.6-72.2-170.3177.3-162.90.9108.6S126S126-R128 PolarHBondContact O-N 2.93Å; S126-R128 VanDerWaalsContact O-N 3.13Å
129Y34.4Very low42.7Very low207 Ų207146.6 Ų146.681%0.81278%0.776SS**  trans-68.1132.9161.2-95.5-86.5000109.2P127 G131P127-Y129 HydrophobicContact CB-CD2 4.1Å; P127-Y129 HydrophobicContact CB-CE2 4.39Å; P127-Y129 PolarHBondContact O-N 3.35Å; Y129-G131 PolarHBondContact O-N 3.27Å; Y129-G131 VanDerWaalsContact O-N 3.15Å
130P45.1Very low42.2Very low134 Ų134149.8 Ų149.887%0.8779%0.788SS**SBendtrans-8286.9169.931.8-28.3000108.5
131G45.6Very low41.6Very low77 Ų77149.2 Ų149.279%0.79479%0.792SS**  trans-165.979-176.800000113.5Y129Y129-G131 PolarHBondContact O-N 3.27Å; Y129-G131 VanDerWaalsContact O-N 3.15Å
132G38.9Very low41.5Very low65 Ų65149.5 Ų149.567%0.6780%0.796SS**SBendtrans-161.1144.817100000110.7
133P38.6Very low41Very low134 Ų134144.9 Ų144.987%0.8779%0.79SS**PPolyproline II helixtrans-76.5130-149.730.7-34.2000112.7
134R49.9Very low40.9Very low234 Ų234148.8 Ų148.888%0.88380%0.804SS**PPolyproline II helixtrans-74.9141.7171.6-89.7179.9161.1160.1-4.8110.8
135P39.6Very low40.2Very low108 Ų108145.4 Ų145.470%0.70181%0.812SS**PPolyproline II helixtrans-62.3143.5167.62.26.2000110.3L137P135-L137 PolarHBondContact O-N 2.95Å; P135-L137 VanDerWaalsContact O-N 3.08Å
136P40.7Very low39.5Very low129 Ų129142.6 Ų142.684%0.83882%0.819SS**  trans-75107.8-175.730.1-31.2000109.7R138P136-R138 PolarHBondContact O-N 2.92Å
137L42.8Very low39.5Very low175 Ų175144.1 Ų144.192%0.91682%0.824SS**  trans-73111.5163.8-105.8129000108.5P135 L139P135-L137 PolarHBondContact O-N 2.95Å; P135-L137 VanDerWaalsContact O-N 3.08Å; L137-L139 PolarHBondContact O-N 3.32Å
138R40.7Very low39.7Very low248 Ų248144.8 Ų144.894%0.93683%0.828SS**  trans-62.3111.3179.6-166-166.9-169.5-177.94.5110.8P136P136-R138 PolarHBondContact O-N 2.92Å
139L37Very low38.9Very low163 Ų163136.8 Ų136.885%0.85382%0.82SS**  trans-111.8137.9166.4-144.969000109.2L137L137-L139 PolarHBondContact O-N 3.32Å
140P39.1Very low39Very low115 Ų115132.9 Ų132.975%0.74782%0.823SS**  trans-84.7142.5-165.632.8-29.9000112
141N38.4Very low38.7Very low153 Ų153135 Ų13582%0.81882%0.821SS**  trans68.195.7153-160.456.3000117.6
142Q38.2Very low39Very low191 Ų191136.6 Ų136.689%0.89382%0.818SS**  trans-148.8128.7139-76.2-135.749.500109.6
143G34.5Very low38.9Very low58 Ų58140.8 Ų140.860%0.59882%0.822SS**  trans-93.3-173.9172.500000112.5
144L37.7Very low39.3Very low187 Ų187142.6 Ų142.698%0.97982%0.823SS**  trans88.2120.7-172.8-54.8157.1000111.5
145G34.4Very low39.3Very low81 Ų81136.7 Ų136.784%0.83582%0.815SS**  cis150.3132.910.500000107.2
146G32.9Very low39.3Very low82 Ų82138.9 Ų138.985%0.84583%0.826SS**  trans119.3110.8166.700000117.1
147V35.4Very low39.1Very low140 Ų140135.8 Ų135.885%0.84882%0.818SS**  trans-88.2-174.2170.6-129.80000109.7
148P42.5Very low39.4Very low120 Ų120136.6 Ų136.678%0.77982%0.819SS**  cis-142.1173.6-14.331.3-8.9000116.6
149G31.1Very low39.3Very low71 Ų71130.5 Ų130.573%0.73281%0.805SS**  trans136.196.4134.300000118
150S35.2Very low39.9Very low125 Ų125128.6 Ų128.687%0.87480%0.803SS**  166.9103.8126.455.60000110.7
151Q39Very low40.5Very low179 Ų179128.8 Ų128.884%0.83680%0.802SS**  trans-104.9161.7160-78.2-103.9-50.300108.1
152P52.1Low40.5Very low111 Ų111132.8 Ų132.872%0.72181%0.806SS**  -140.1136.3112.928-10000115.5
153M37.3Very low40.6Very low153 Ų153132 Ų13275%0.75480%0.802SS**  trans69.1120.6133.8-59.8-66.9127.100119.4
154L46.8Very low40.8Very low172 Ų172138.1 Ų138.190%0.90182%0.815SS**  -165.6142.6108.2-87.9176.2000110.2
155P50.7Low40.8Very low109 Ų109132.6 Ų132.671%0.70880%0.804SS**  trans-111.5125.2-177.936.4-24.2000113.3
156T38.6Very low41Very low154 Ų154137.1 Ų137.195%0.94580%0.803SS**  trans-167.4130.3159.3-35.40000105.7
157G37.7Very low41.8Very low64 Ų64138.4 Ų138.466%0.6680%0.796SS**  cis153.7137.49.900000105.8
158M47.6Very low41.8Very low192 Ų192137 Ų13795%0.94679%0.793SS**  trans83.6101.4165.7-111.490.7177.500121.9
159D39Very low42Very low120 Ų120140.1 Ų140.164%0.64280%0.799SS**  62.4119.3129.2-152.9-26.1000123.4T161D159-T161 PolarHBondContact OD1-OG1 2.84Å
160P50.7Low42.6Very low124 Ų124140.2 Ų140.281%0.80580%0.8SS**  trans-94.587.8169.938.4-30.3000113
161T50.1Low43.2Very low119 Ų119137.8 Ų137.873%0.7380%0.795SS**  trans-139.876.6170.541.90000113.3D159D159-T161 PolarHBondContact OD1-OG1 2.84Å
162R38.7Very low43.5Very low237 Ų237135 Ų13589%0.89479%0.792SS**  trans-155.594.2146.1-145.1173.8-179.2172-0.3112.3
163Q41.4Very low43Very low173 Ų173139.2 Ų139.281%0.80881%0.805SS**  trans-69.5134.6157.9-81-136.74200111
164Q39.1Very low43.6Very low187 Ų187140 Ų14087%0.87481%0.806SS**  trans-162.4127.4143.6-86.1-166-11.500105
165G36.1Very low43.4Very low72 Ų72142.5 Ų142.574%0.74280%0.804SS**  cis-169.7171.35.600000108.4
166H38.6Very low42.8Very low175 Ų175146.4 Ų146.481%0.8182%0.815SS**  trans-72.3155.1-148.1-125.1-102.8000118.7
167P49.4Very low43.1Very low109 Ų109144.8 Ų144.871%0.70881%0.805SS**  trans-89.7147.9167.136.2-34.3000112.7
168S36Very low43.8Very low111 Ų111146.9 Ų146.978%0.77681%0.807SS**  trans-172.5127.3168.6-149.10000106.8
169M46.5Very low43.9Very low185 Ų185144.1 Ų144.191%0.91180%0.803SS**  cis-144.3158.616.5-60.5-172.7176.500105.6
170G43.5Very low44.3Very low74 Ų74150.1 Ų150.176%0.76382%0.817SS**  cis158.8116.417.900000106.5
171G49.4Very low43.9Very low73 Ų73147.6 Ų147.675%0.75381%0.814SS**  trans69.5146.215700000120.1M173G171-M173 PolarHBondContact O-N 3.23Å
172P44.2Very low43.6Very low122 Ų122151.3 Ų151.379%0.79283%0.825SS**  trans-79.3115.9173.932.1-29.4000109.8Q174P172-Q174 VanDerWaalsContact C-N 3.29Å; P172-Q174 PolarHBondContact O-N 3.5Å
173M41.7Very low43.9Very low198 Ų198146.1 Ų146.198%0.97582%0.819SS**  trans-73.990.2167.3-145.9172.4-165.700108.1G171G171-M173 PolarHBondContact O-N 3.23Å
174Q49.4Very low44.2Very low169 Ų169143.4 Ų143.479%0.7982%0.817SS**  trans-60.3145.7163.4-79-88.93.700109.6P172P172-Q174 VanDerWaalsContact C-N 3.29Å; P172-Q174 PolarHBondContact O-N 3.5Å
175R42.4Very low44.3Very low225 Ų225143.1 Ų143.185%0.84982%0.82SS**  trans96.888.4149.6-142.3175.8-162.8-114.62.8117.6
176M38.7Very low44.3Very low191 Ų191143 Ų14394%0.94182%0.819SS**  trans-147.996.2133-150.875.4176.800109.7
177T45.3Very low44.9Very low121 Ų121140.6 Ų140.674%0.74282%0.819SS**PPolyproline II helixtrans-88.5131.6172.5-43.50000108.5
178P52.6Low44.5Very low107 Ų107144.7 Ų144.770%0.69583%0.829SS**PPolyproline II helixtrans-73.5144.5170.929.7-31.4000110.1R180P178-R180 PolarHBondContact O-N 3.5Å
179P49.1Very low44.5Very low134 Ų134145.8 Ų145.887%0.8783%0.826SS**PPolyproline II helixtrans-78121.1-168.531.6-31.9000110.3
180R48.1Very low43.9Very low247 Ų247147.2 Ų147.293%0.93282%0.823SS**  trans-135.8117.4163.7-145.5175-176.2122.5-1.2108.7P178P178-R180 PolarHBondContact O-N 3.5Å
181G42.2Very low43.6Very low71 Ų71147.1 Ų147.173%0.73282%0.822SS**  trans89.292.9161.900000115.6
182M42.9Very low43Very low197 Ų197147.6 Ų147.697%0.9783%0.827SS**PPolyproline II helixtrans-68.7133.2156.2-83.1-165.988.700109.8
183V44.6Very low42.9Very low127 Ų127145.1 Ų145.177%0.7782%0.824SS**PPolyproline II helixtrans-63.2156177.5162.20000112.3
184P49.2Very low42.9Very low116 Ų116144.6 Ų144.675%0.75382%0.821SS**PPolyproline II helixtrans-78.8152.7-174.534-38.9000113.5
185L41.3Very low43.2Very low182 Ų182148.1 Ų148.195%0.95383%0.827SS**  trans-152.6119.3169.8-97.8155.6000110.4
186G35.6Very low43.7Very low70 Ų70142.8 Ų142.872%0.72282%0.821SS**  trans137.5116.1158.700000115.5
187P51.4Low44.5Very low124 Ų124139.7 Ų139.781%0.80582%0.815SS**  trans-85.4153.8178.535.7-31.2000110.7
188Q40.5Very low44.4Very low195 Ų195142.1 Ų142.191%0.91182%0.823SS**  trans-179.2133.1135.6-76.1-127.75.300111.1
189N35.8Very low44Very low133 Ų133145 Ų14571%0.71183%0.833SS**  trans-71.9153178.1-179.836.3000112.1
190Y33.3Very low43.2Very low215 Ų215142.9 Ų142.984%0.84383%0.826SS**  trans152.7125.5138.5-97.8-86.1000114.3
191G37.5Very low42.7Very low73 Ų73138.7 Ų138.775%0.75382%0.821SS**  trans85.9104.6150.800000116.1
192G37.2Very low42.4Very low83 Ų83142.4 Ų142.486%0.85683%0.83SS**  80.5978200000109.1
193G42.3Very low41.9Very low70 Ų70136.2 Ų136.272%0.72282%0.817SS**  94.2136.276.200000110
194M40.9Very low42Very low186 Ų186136.7 Ų136.792%0.91682%0.822SS**  trans87.3102.2160.8-49.3-57.3-172.600119.2
195R56.8Low41.3Very low243 Ų243134.8 Ų134.892%0.91782%0.824SS**  trans-61.1146.8146.7-142.8178174.7-155.9-1.6109.6
196P51.4Low41.1Very low113 Ų113135 Ų13573%0.73482%0.822SS**  trans-148.1179.1138.645.1-28.8000113.2
197P55.6Low41.4Very low126 Ų126137 Ų13782%0.81882%0.822SS**  -137.3-170-9930.1-2.9000114.7
198L44.5Very low40.8Very low172 Ų172134.7 Ų134.790%0.90182%0.821SS**SBendtrans-72.9142.4173.3-77.7149.2000113.7
199N43.7Very low40.6Very low169 Ų169134.6 Ų134.690%0.90482%0.823SS**  trans17.1117.9159.4-106.530.5000120.9
200A31.3Very low40.7Very low88 Ų88133.7 Ų133.773%0.72783%0.827SS**  trans-171.4131.415400000113.5
201L38.3Very low40.8Very low159 Ų159132.7 Ų132.783%0.83283%0.833SS**  trans69.3112.7145.8-79.986.4000123.1
202V36.7Very low41.1Very low149 Ų149132.6 Ų132.690%0.90383%0.832SS**  53.9121.8121.3177.60000120.2
203G32.7Very low41.4Very low68 Ų68135.2 Ų135.270%0.70183%0.834SS**  trans-172.4155.5160.600000113
204P46.2Very low41Very low136 Ų136135.8 Ų135.888%0.88384%0.839SS**  -122155.2-120.937.9-26.8000117.4
205G35.2Very low40.7Very low76 Ų76131 Ų13178%0.78484%0.837SS**  trans102.7100.1142.400000119.8
206M37.1Very low39.6Very low187 Ų187123.2 Ų123.292%0.92183%0.833SS**  trans-173.4144.9135.3-98.4-87.7157.300110.8
207P41.9Very low39.1Very low111 Ų111129.6 Ų129.672%0.72184%0.842SS**  trans-94.3161.9-155.737.4-33.2000114.4
208G37.8Very low39Very low76 Ų76128.7 Ų128.778%0.78484%0.836SS**  trans-77.7156.6-170.700000116.7
209M37.4Very low38.3Very low193 Ų193132.3 Ų132.395%0.95184%0.838SS**  trans-128.8116.2150.9-78.9115.711600109.1
210S36.9Very low38.6Very low114 Ų114129.4 Ų129.480%0.79783%0.828SS**  trans-83.3121.5170.146.30000110.4
211M35.1Very low38.8Very low195 Ų195131.6 Ų131.696%0.96183%0.828SS**  trans-141.199145.3-92.4-16517600107.7
212G44.8Very low38.6Very low71 Ų71129.9 Ų129.973%0.73283%0.826SS**  trans-86.9163.1150.900000109
213P43.4Very low39Very low138 Ų138128 Ų12890%0.89682%0.817SS**  -130.3131.4116.633-23.4000112.1
214G34.3Very low39.1Very low81 Ų81132.1 Ų132.184%0.83582%0.823SS**  trans107.298.3134.500000118.2
215G34.3Very low38.4Very low86 Ų86130.5 Ų130.589%0.88782%0.815SS**  trans83.1124.2152.500000114.6
216G33.3Very low38.8Very low79 Ų79134.9 Ų134.981%0.81482%0.82SS**  cis140131.829.700000105.7
217R40.3Very low38.6Very low247 Ų247130.4 Ų130.493%0.93281%0.807SS**  trans-72.1167.8-159-71.3171.8178.8-930.7115.9
218P53.6Low38.5Very low107 Ų107131.8 Ų131.870%0.69581%0.814SS**  trans-101.5154.2-16738.4-30.1000114.4
219W29.9Very low38.5Very low249 Ų249133.5 Ų133.594%0.94381%0.812SS**  trans-161.5160.8164.7-89.7115.9000110
220P49.5Very low38.1Very low107 Ų107135.5 Ų135.570%0.69581%0.81SS**  -113.9168.2-109.842-34.2000116.4
221N36.2Very low37.9Very low135 Ų135135.8 Ų135.872%0.72281%0.812SS**  trans-25.6157.9168.4-117.139.6000119.2
222P34.7Very low37.9Very low122 Ų122132.2 Ų132.279%0.79281%0.806SS**  -115.5142.4116.523.6-12.6000111.9
223P43.9Very low37.4Very low110 Ų110133.8 Ų133.871%0.71481%0.813SS**  trans-88.3132.7-17434.5-29.1000111
224N35.8Very low36.7Very low154 Ų154133 Ų13382%0.82481%0.81SS**  153.9106.2126.9-167.314000109.1
225S31.5Very low37.3Very low103 Ų103135.2 Ų135.272%0.7281%0.81SS**  trans-141.2106.1169.9-740000109.2S227S225-S227 PolarHBondContact O-N 3.37Å
226N42.4Very low37.2Very low167 Ų167134.6 Ų134.689%0.89380%0.804SS**  trans-49.5106.2140.7-100.3-7.4000108.3
227S33Very low37.1Very low93 Ų93137.2 Ų137.265%0.6581%0.81SS**  trans-17493.7155.647.20000111.6S225 P229S225-S227 PolarHBondContact O-N 3.37Å; S227-P229 WeakPolarHBondContact O-CD 3.2Å
228T41Very low37.1Very low141 Ų141136.4 Ų136.487%0.86581%0.808SS**PPolyproline II helixtrans-77.7118.9155.324.10000108.9
229P36.5Very low36.3Very low112 Ų112138 Ų13873%0.72782%0.816SS**PPolyproline II helixtrans-81.5128.3178.630.1-30.6000111.7S227 S231S227-P229 WeakPolarHBondContact O-CD 3.2Å; P229-S231 PolarHBondContact O-N 2.84Å
230Y28.9Very low36.8Very low234 Ų234128.8 Ų128.892%0.91880%0.798SS**PPolyproline II helixtrans-50.4125.4159.2-98.9-102.8000109.9
231S32.5Very low36.6Very low121 Ų121129.7 Ų129.785%0.84680%0.804SS**  trans-99.6110.9166.2-69.50000109.2P229P229-S231 PolarHBondContact O-N 2.84Å
232S36Very low37.1Very low119 Ų119129.4 Ų129.483%0.83281%0.809SS**  trans-83.7127169.351.80000110.9
233A33.7Very low37.5Very low105 Ų105127.4 Ų127.487%0.86881%0.811SS**  trans-154.4121.3155.400000110.8
234S29Very low37.4Very low120 Ų120126.4 Ų126.484%0.83982%0.821SS**  trans-104.5173.9166.8-71.30000109.4
235P47.9Very low37.6Very low128 Ų128123.2 Ų123.283%0.83182%0.824SS**  cis-131.4161.1-2832.2-13.2000114.9
236G31.5Very low38.1Very low74 Ų74122 Ų12276%0.76383%0.827SS**  trans100.5109.7138.700000121.5
237S32.2Very low38.1Very low133 Ų133118.3 Ų118.393%0.9382%0.82SS**  -179.4134125-91.40000112.7
238Y39.2Very low39Very low230 Ų230120.5 Ų120.590%0.90283%0.832SS**  trans-83.9117.2-171.3-169.7-88.3000111.8
239V36.6Very low39.2Very low142 Ų142117.2 Ų117.286%0.86183%0.826SS**  trans-151.3124.9153.4-1760000108.3
240G39.9Very low39.6Very low55 Ų55117 Ų11757%0.56782%0.823SS**  trans-72.1175179.700000114.9
241P47.1Very low40.2Very low126 Ų126112.1 Ų112.182%0.81882%0.82SS**PPolyproline II helixtrans-88.5140.1-164.333.4-31.7000113.3
242P46.6Very low41.1Very low128 Ų128113.5 Ų113.583%0.83182%0.817SS**PPolyproline II helixtrans-80.2126.3155.313.81.7000109
243G42.6Very low41.6Very low81 Ų81115.6 Ų115.684%0.83582%0.815SS**PPolyproline II helixtrans-69.9164.6-179.200000114.8
244G41.7Very low42.5Very low89 Ų89116.1 Ų116.192%0.91881%0.81SS**  trans124117.5152.500000115.8
245G40.4Very low43Very low87 Ų87115.7 Ų115.790%0.89781%0.807SS**  trans126.365.4147.900000117.5
246G41.2Very low43.1Very low76 Ų76116 Ų11678%0.78481%0.809SS**PPolyproline II helixtrans-100.2139.3165.200000112.1
247A43.5Very low43.6Very low90 Ų90116.1 Ų116.174%0.74480%0.803SS**PPolyproline II helixtrans-59.2152.4-171.700000115.6G249A247-G249 PolarHBondContact O-N 2.97Å
248P50.7Low44.2Very low139 Ų139117.2 Ų117.290%0.90380%0.798SS**THydrogen-bonded Turntrans-82.4117.1-175.432.5-30.3000110.7
249G44.9Very low44.1Very low72 Ų72111.7 Ų111.774%0.74279%0.793SS**THydrogen-bonded Turntrans146.7-1.2162.100000119.1A247A247-G249 PolarHBondContact O-N 2.97Å
250T45.5Very low44.7Very low108 Ų108111.8 Ų111.866%0.66379%0.794SS**  trans-127.9126.3176.357.10000110.9I252T250-I252 PolarHBondContact O-N 3.11Å; T250-I252 VanDerWaalsContact O-N 3.08Å
251P41.7Very low44.8Very low132 Ų132116.2 Ų116.286%0.85781%0.805SS**  trans-68.5108.8170.327.8-29.7000108.5M253P251-M253 PolarHBondContact O-N 2.82Å
252I52.1Low44.5Very low149 Ų149114.3 Ų114.376%0.76480%0.795SS**  trans-73.9106.9170.4-61.9170.9000106.4T250T250-I252 PolarHBondContact O-N 3.11Å; T250-I252 VanDerWaalsContact O-N 3.08Å
253M45.3Very low44.6Very low163 Ų163112.1 Ų112.180%0.80380%0.795SS**PPolyproline II helixtrans-63.5137.6163.9-78.3-161.8-41.200108.8P251 S255P251-M253 PolarHBondContact O-N 2.82Å; M253-S255 PolarHBondContact O-N 3.33Å
254P53.6Low45Very low117 Ų117114.2 Ų114.276%0.7679%0.787SS**PPolyproline II helixtrans-65.6120.6167.327.2-30.2000108.7
255S39.7Very low45.3Very low110 Ų110116.4 Ų116.477%0.76978%0.778SS**PPolyproline II helixtrans-57.4132.6165.5-61.10000109M253 A257M253-S255 PolarHBondContact O-N 3.33Å; S255-A257 PolarHBondContact O-N 2.89Å
256P48.2Very low45.7Very low134 Ų134120.1 Ų120.187%0.8777%0.774SS**  trans-65.4105.5170.2-14.728.5000108.4D258P256-D258 PolarHBondContact O-N 2.87Å
257A42.8Very low45.7Very low78 Ų78127.3 Ų127.365%0.64578%0.779SS**  trans-71.3125.1167.100000108.6S255 S259S255-A257 PolarHBondContact O-N 2.89Å; A257-S259 PolarHBondContact O-N 3.25Å
258D44.8Very low46Very low156 Ų156127 Ų12783%0.83477%0.768SS**  trans35.786.1147.8-54.1-39.8000116.2P256P256-D258 PolarHBondContact O-N 2.87Å
259S37.8Very low45.7Very low113 Ų113128 Ų12879%0.7976%0.762SS**  trans-116.396.8160.6-72.80000110A257 N261A257-S259 PolarHBondContact O-N 3.25Å; S259-N261 PolarHBondContact O-N 2.86Å
260T49Very low46Very low145 Ų145132.2 Ų132.289%0.8977%0.767SS**  trans-63.582.5161.2-30.30000108.5
261N41.1Very low45.5Very low147 Ų147133 Ų13379%0.78677%0.767SS**  trans-141.7116.4163.2-163.6-51.6000109.8S259S259-N261 PolarHBondContact O-N 2.86Å
262S40.8Very low45.6Very low87 Ų87133.8 Ų133.861%0.60877%0.769SS**  trans-72.9135.3-168.8-50.20000112.7D264S262-D264 VanDerWaalsContact C-N 3.31Å; S262-D264 PolarHBondContact O-N 3.32Å
263G50.1Low45.3Very low81 Ų81131.8 Ų131.884%0.83576%0.764SS**SBend63.4-14.9115.500000123.1
264D49.8Very low45.5Very low126 Ų126129.5 Ų129.567%0.67476%0.761SS**  trans-109.7-0.7-159.8-66.5-45.5000116.6S262S262-D264 VanDerWaalsContact C-N 3.31Å; S262-D264 PolarHBondContact O-N 3.32Å
265N48.8Very low45.3Very low135 Ų135129.9 Ų129.972%0.72276%0.763SS**THydrogen-bonded Turntrans-94.65.6-170.7-97.2-6.9000117.1
266M47.4Very low45.5Very low165 Ų165128.8 Ų128.881%0.81377%0.769SS**THydrogen-bonded Turntrans-92.5-17.3-179.2-66.8-102.8-82.500113.5
267Y41.8Very low45Very low226 Ų226125.8 Ų125.889%0.88676%0.763SS**SBendtrans-93.6-12.7178.7-83.5-80.1000114.2
268T49.3Very low44.7Very low83 Ų83127.9 Ų127.951%0.50977%0.773SS.*G310 helixtrans-89.2-14.9-173.4-10.90000114.3I270T268-I270 PolarHBondContact O-N 2.99Å
269M45.2Very low44.7Very low160 Ų160131.9 Ų131.979%0.78878%0.776SS**G310 helixtrans-74.7-4.9-179.3-72.3-173.3-76.800114.4
270I50.6Low44.8Very low162 Ų162132.4 Ų132.483%0.83178%0.777SS**G310 helixtrans-1022.4179.1-110.5154000114T268T268-I270 PolarHBondContact O-N 2.99Å
271N36Very low44Very low125 Ų125132.5 Ų132.567%0.66877%0.772SS**  trans-117.2116.4173.6-110-11.4000110.8V273N271-V273 PolarHBondContact O-N 3.41Å
272T43Very low43.7Very low147 Ų147134.4 Ų134.490%0.90277%0.773SS**  trans-72.939.1176.143.10000113.7
273V46.5Very low44.1Very low108 Ų108135.6 Ų135.666%0.65578%0.779SS**  trans-136.8117.8-178.8-175.40000110.6N271N271-V273 PolarHBondContact O-N 3.41Å
274P49Very low43.6Very low114 Ų114140.8 Ų140.874%0.7478%0.784SS**  trans-74.8139.6174.80.913.2000111.2G276P274-G276 PolarHBondContact O-N 3.31Å
275P49.8Very low43Very low125 Ų125138 Ų13881%0.81279%0.785SS**  trans-78.7116171.430.5-29.5000110.5
276G42.8Very low42.4Very low87 Ų87135.2 Ų135.290%0.89779%0.789SS**  trans44.583.514900000118.5P274P274-G276 PolarHBondContact O-N 3.31Å
277G37.9Very low42Very low71 Ų71131.4 Ų131.473%0.73279%0.792SS**  trans-130.7103.9160.800000110.7
278S36.9Very low41.9Very low123 Ų123125.5 Ų125.586%0.8678%0.783SS**  trans40.1101.8148.7-47.90000118.8
279R45.5Very low41.3Very low240 Ų240129.6 Ų129.691%0.90680%0.802SS**  trans-54136.3166-68.3176.9166.1-171.4-5.1111.4N281R279-N281 PolarHBondContact O-N 3.22Å
280P39.4Very low40.9Very low123 Ų123125.6 Ų125.680%0.79980%0.802SS**  trans-70.3111.7155.213.3-3.7000108.6F282P280-F282 PolarHBondContact O-N 3.31Å
281N32.9Very low40.9Very low147 Ų147123.4 Ų123.479%0.78680%0.798SS**  trans-60.6113.3169.9-175.669.3000109.6R279R279-N281 PolarHBondContact O-N 3.22Å
282F33.6Very low41.2Very low187 Ų187125.7 Ų125.782%0.8281%0.809SS**  trans-58.7132.1160.3-73.9-88.3000108.3P280 M284P280-F282 PolarHBondContact O-N 3.31Å; F282-M284 PolarHBondContact O-N 3.25Å; F282-M284 VanDerWaalsContact O-N 3.08Å
283P50.5Low40.9Very low113 Ų113122.3 Ų122.373%0.73480%0.804SS**  trans-73103.8165.429.2-27.1000107.3G285P283-G285 PolarHBondContact O-N 3.33Å; P283-G285 VanDerWaalsContact O-N 3.14Å
284M39.6Very low40.6Very low189 Ų189121 Ų12193%0.93181%0.813SS**  trans-60.3110.6156.5-110.2-99.8-175.500106.3F282F282-M284 PolarHBondContact O-N 3.25Å; F282-M284 VanDerWaalsContact O-N 3.08Å
285G36.5Very low40Very low68 Ų68124.5 Ų124.570%0.70182%0.821SS**PPolyproline II helixtrans-59.3143179.200000111.6P283P283-G285 PolarHBondContact O-N 3.33Å; P283-G285 VanDerWaalsContact O-N 3.14Å
286G36.6Very low39.3Very low77 Ų77123.5 Ų123.579%0.79482%0.823SS**PPolyproline II helixtrans-57.5150.6174.700000112.4
287G39.5Very low39.1Very low85 Ų85122.7 Ų122.788%0.87682%0.815SS**PPolyproline II helixtrans-62.3150-176.600000114.1
288S38.2Very low39.1Very low101 Ų101128.6 Ų128.671%0.70683%0.826SS**  trans-149.7106.816158.90000108.5
289D38Very low39Very low170 Ų170130.8 Ų130.891%0.90982%0.823SS**  trans42.6118.2134.6-53.3-57.1000120.7
290G35.8Very low39.1Very low76 Ų76124.4 Ų124.478%0.78481%0.813SS**  trans144.7148.5148.600000116.8
291P50.3Low39Very low115 Ų115126 Ų12675%0.74781%0.809SS**  trans-114.8178-136.630.2-12.4000116.2
292L41.8Very low39.7Very low173 Ų173126.2 Ų126.291%0.90681%0.805SS**  trans87.5129.4175.2-66.599.2000115.6
293G37.7Very low40Very low77 Ų77126.5 Ų126.579%0.79481%0.811SS**  cis163.9141.32.900000110.4
294G39.3Very low39.4Very low81 Ų81128.3 Ų128.384%0.83582%0.815SS**  trans82.7141.1162.900000117.1
295M38.2Very low39.3Very low187 Ų187123.1 Ų123.192%0.92181%0.809SS**  cis-173.3137.8-2.8-166.2144.389.300107.4
296A35.3Very low39.5Very low103 Ų103124.3 Ų124.385%0.85181%0.807SS**  trans46.5138.4157.200000120.1
297G36.9Very low39.9Very low71 Ų71129.1 Ų129.173%0.73281%0.813SS**  cis140.1140.521.900000108.6
298M38.3Very low39.7Very low195 Ų195128.5 Ų128.596%0.96181%0.808SS**  trans81.597.5159-66.2171.2168.300121
299E34.2Very low39.8Very low168 Ų168129.1 Ų129.179%0.78581%0.812SS**  50.5138.7121.7-148.7148.59700122.5
300P48.4Very low39.9Very low107 Ų107125.1 Ų125.170%0.69580%0.797SS**  trans-101.9118-172.335-22.1000113
301H38Very low40.4Very low155 Ų155129 Ų12972%0.71880%0.8SS**  trans-144.7149.8166.5-73.5-45.3000115.3
302H46.2Very low40.2Very low152 Ų152131.4 Ų131.470%0.70480%0.803SS**  trans-59.5143.7-174.336.3-92.3000116.8
303M40.3Very low40.5Very low194 Ų194129.7 Ų129.796%0.95680%0.795SS**  trans-145.6127.7154.4-134.890.3-178.600112
304N39.4Very low40.4Very low151 Ų151131.4 Ų131.481%0.80780%0.795SS**  trans-65.3151.2179.8179.322.7000114.1
305G35.6Very low40.4Very low79 Ų79135.2 Ų135.281%0.81480%0.795SS**  trans-153.989.9170.600000111.5
306S41.6Very low40.4Very low93 Ų93130.9 Ų130.965%0.6578%0.783SS**  trans-72.2153.6177.8176.90000113.4
307L44.6Very low40.5Very low178 Ų178136.2 Ų136.293%0.93279%0.787SS**  178.5120.5126-88.6176.4000112.5
308G35.2Very low40.3Very low73 Ų73140.1 Ų140.175%0.75379%0.791SS**  trans115.375.7157.400000117.2
309S40Very low40.4Very low113 Ų113135.9 Ų135.979%0.7978%0.781SS**  68.496.492-143.30000115.2
310S41.6Very low41.1Very low86 Ų86134.1 Ų134.160%0.60178%0.784SS**  69.899.610668.10000115.6
311D44.9Very low40.3Very low159 Ų159132.5 Ų132.585%0.8579%0.787SS**  83.1133.581.3-68.7-49.7000115.3
312M46.7Very low40.1Very low165 Ų165132.7 Ų132.781%0.81379%0.793SS**  trans94.798.9154.8-65.9-103.9-158.700122.1
313D47.6Very low40Very low137 Ų137133.5 Ų133.573%0.73380%0.802SS**  59.6110.6119.5-64.6-72.8000122.5
314S36.5Very low39.7Very low113 Ų113128.7 Ų128.779%0.7979%0.787SS**  trans-167115.5137.6-91.80000113.7
315L38.3Very low39.5Very low160 Ų160130.5 Ų130.584%0.83879%0.793SS**  trans80.9104.9143.2-71.2141000121
316S38.3Very low39.8Very low97 Ų97131.2 Ų131.268%0.67879%0.786SS**  trans59.689.4133.4-59.50000120.3N318S316-N318 PolarHBondContact O-N 3.08Å
317K37.4Very low39.5Very low215 Ų215134.8 Ų134.894%0.93580%0.798SS**  trans-73.398148.5-81.1177.6172.5174.90109.4S319K317-S319 PolarHBondContact O-N 3.14Å
318N34.1Very low39.2Very low152 Ų152135.3 Ų135.381%0.81380%0.795SS**  trans-65.4117.3166.7-90.1-52.4000110.4S316S316-N318 PolarHBondContact O-N 3.08Å
319S39.8Very low39.8Very low106 Ų106137.4 Ų137.474%0.74180%0.795SS**  trans-92.4155.7139.1-71.90000108K317K317-S319 PolarHBondContact O-N 3.14Å
320P47.8Very low39.5Very low132 Ų132135.7 Ų135.786%0.85780%0.796SS**  -145156.3103.936-20.4000111.9
321G32.7Very low39.4Very low73 Ų73138.2 Ų138.275%0.75381%0.808SS**  cis-176140.95.500000109.8
322N33.9Very low39.7Very low158 Ų158136.3 Ų136.385%0.84580%0.804SS**  trans-107.8108155.3-178.912.7000105.3
323L42.8Very low39.6Very low170 Ų170139 Ų13989%0.8981%0.806SS**  trans-92.4109.7166.8-76.7174.8000108.1
324S34.7Very low39.4Very low93 Ų93139.9 Ų139.965%0.6581%0.805SS**  trans-44.8126.6162-173.80000112.1
325M36.3Very low39.6Very low188 Ų188141.6 Ų141.693%0.92681%0.806SS**  trans-135.793138.5-89.4-152.1-179.200108.9
326S41.5Very low39.6Very low95 Ų95136.8 Ų136.866%0.66480%0.795SS**  trans-40.6125.1144.336.80000112.1
327N34.6Very low39.7Very low168 Ų168141.1 Ų141.190%0.89880%0.804SS**  trans-150.8129.5142.7-106.50.6000110.5
328Q39.3Very low39.9Very low188 Ų188140.4 Ų140.488%0.87981%0.807SS**  trans-85.8178.1179.9-113.3-151.1-3400111.3
329P46.6Very low40.1Very low117 Ų117137.3 Ų137.376%0.7681%0.81SS**  trans-86.2150-150.536.6-35.2000114.5
330G34.3Very low40.1Very low78 Ų78135.6 Ų135.680%0.80481%0.81SS**  trans-166137.2173.800000113
331T40.4Very low39.6Very low139 Ų139136.9 Ų136.985%0.85381%0.809SS**  trans-67.7170-176.746.30000114.3
332P50.6Low39.8Very low119 Ų119142.3 Ų142.377%0.77381%0.813SS**  trans-80.5142.2-156.134.6-31.5000112.1
333R44Very low40.1Very low222 Ų222142 Ų14284%0.83881%0.81SS**  trans-136.197173.7-162.6167.2-179.287.43.3110.9
334E43.1Very low39.9Very low154 Ų154140.9 Ų140.972%0.7281%0.805SS**  26.7145.4122.7-12.6-160.8156.900118.9
335D42.3Very low40.6Very low150 Ų150140.8 Ų140.880%0.80280%0.802SS**  trans84.9127.1171.1-52-49.5000116.9
336G36.3Very low40.9Very low59 Ų59141.3 Ų141.361%0.60880%0.8SS**  cis170.3131.25.300000108.9
337E42.3Very low40.7Very low187 Ų187145.7 Ų145.787%0.87481%0.809SS**  trans68.399.5139.3-61.8157.1102.100120.5
338M41.3Very low40.7Very low201 Ų201143.9 Ų143.999%0.9980%0.8SS**  -153.9102.9127-130.2164.4-172.100113.4
339G36.8Very low40.6Very low86 Ų86142.1 Ų142.189%0.88779%0.791SS**  trans83.8109.2136.100000119.2
340G40.5Very low40.1Very low71 Ų71142.7 Ų142.773%0.73280%0.798SS**  trans154.164.7150.300000119.3
341N37.6Very low40.2Very low159 Ų159148.6 Ų148.685%0.8580%0.798SS**  trans55.2106142.7-62.4-15.9000122.1
342F37.3Very low40Very low187 Ų187147.5 Ų147.582%0.8280%0.796SS**  trans-23.7137.4149.9-66.6-95.3000119.6
343L40.6Very low40.1Very low151 Ų151146.9 Ų146.979%0.79179%0.792SS**  trans54.2124.3139.9-56.1165.5000117.8
344N37.4Very low39.8Very low147 Ų147144.2 Ų144.279%0.78679%0.794SS**  -169.6163.755.8-134.513.5000110.6
345P50.1Low40Very low90 Ų90145.5 Ų145.558%0.58480%0.802SS**  trans-85.8160178.634.4-27.4000112.3
346F42.9Very low40.3Very low200 Ų200144.2 Ų144.288%0.87780%0.8SS**  trans8188.8176.3-58.1-83000118.3
347Q37.2Very low40.8Very low187 Ų187150.2 Ų150.287%0.87481%0.814SS**  trans-155.7135143-65.6-166.4-27.600105.2
348N33.9Very low41Very low130 Ų130146.3 Ų146.370%0.69581%0.808SS**  cis-162.61489.6-136.3-41.2000107.8
349E36.5Very low41.4Very low150 Ų150147.2 Ų147.270%0.70182%0.824SS**  trans-47137.2172.4-72.798.3107.800115.2
350S35.9Very low41.6Very low130 Ų130150.3 Ų150.391%0.90982%0.821SS**  trans-116.681147.3-72.30000108.4
351Y37.3Very low41.7Very low202 Ų202154.5 Ų154.579%0.79283%0.826SS**  trans-72138161.5-120.6-96.1000108.9
352S35.5Very low41.9Very low116 Ų116154.2 Ų154.281%0.81183%0.825SS**  trans-142.7141.3149.6-79.90000109.4
353P53.7Low42.2Very low105 Ų105152.3 Ų152.368%0.68283%0.825SS**  trans-102.8152.7-153.537.4-29.2000112.8
354N37.6Very low42.3Very low166 Ų166152.4 Ų152.489%0.88883%0.827SS**  trans-162.4119.7131.7-120.1-42.9000112.5
355M46.8Very low42.6Very low181 Ų181152.7 Ų152.789%0.89283%0.83SS**  trans-73.7141.4166-76.9145.7128.600109.9
356T49Very low42.1Very low123 Ų123157.2 Ų157.276%0.75585%0.847SS**  -169.2115.6122.9179.20000110.5
357M46.8Very low42Very low185 Ų185153.9 Ų153.991%0.91185%0.845SS**  trans-72.5132.7155.8-81.6-81.5-168.800107.4
358S46.5Very low42.4Very low106 Ų106151.2 Ų151.274%0.74184%0.843SS**  trans-119.8137.5158.4-71.10000108.5
359V49.2Very low43.2Very low220 Ų220153.1 Ų153.1100%1.33386%0.856SS**  trans-59.60-160.4-175.10000114.3

Retrieved 359 of 359 residues in 183.2 ms (Link to these results)