A0A087YQ77_POEFO Loading...

Sosondowah ankyrin repeat domain family member A

AlphaFold DB , UniProt , Accession A0A087YQ77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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
1M59Low85.7Confident204 Ų20464 Ų64100%1.00536%0.356SS*.  0141.70-64-47.2-166.700108.9L31M1-L31 HydrophobicContact CB-CD1 4.1Å; M1-L31 WeakPolarHBondContact O-CD2 3.45Å
2A76.8Confident86.2Confident67 Ų6758.7 Ų58.755%0.55433%0.326SS*.  trans-100.2158.717100000110.4T4A2-T4 VanDerWaalsContact C-N 3.35Å; A2-T4 HydrophobicContact CB-CG2 3.98Å; A2-T4 PolarHBondContact O-N 2.92Å
3L86.9Confident86.4Confident31 Ų3156.8 Ų56.816%0.16232%0.315CS..  trans-82.975.9-178.6-169.461.2000110.4F28 L31 N43 L46 F47 L50L3-F28 HydrophobicContact CD1-CD1 3.76Å; L3-F28 HydrophobicContact CD1-CE1 4.47Å; L3-F28 HydrophobicContact CD1-CG 4.48Å; L3-L31 HydrophobicContact CB-CB 4.49Å; L3-L31 HydrophobicContact CD1-CB 4.28Å; L3-N43 HydrophobicContact CD2-CB 4.25Å; L3-L46 HydrophobicContact CB-CD2 4.3Å; L3-L46 HydrophobicContact CD2-CD2 3.73Å; L3-L46 HydrophobicContact CG-CD2 3.78Å; L3-F47 HydrophobicContact CD1-CB 4.37Å; L3-F47 HydrophobicContact CD1-CD2 3.98Å; L3-F47 HydrophobicContact CD2-CB 4.25Å; L3-L50 HydrophobicContact CG-CD1 4.34Å; L3-L50 WeakPolarHBondContact O-CD1 3.44Å
4T91.6Very high86.4Confident53 Ų5362.4 Ų62.433%0.32534%0.338SS..  trans-111.6162.7-174.769.50000113.3A2 E6 A7 V8A2-T4 VanDerWaalsContact C-N 3.35Å; A2-T4 HydrophobicContact CB-CG2 3.98Å; A2-T4 PolarHBondContact O-N 2.92Å; T4-E6 VanDerWaalsContact C-N 3.26Å; T4-E6 PolarHBondContact O-N 3.38Å; T4-A7 PolarHBondContact O-N 2.89Å; T4-A7 PolarHBondContact OG1-N 2.99Å; T4-V8 PolarHBondContact O-N 3.37Å
5Q89.3Confident86.5Confident83 Ų8365.8 Ų65.839%0.38834%0.344SS..Hα-helixtrans-59-40.6174.5-167-176.9-74.800111.7V8 L9 L50 S53 V54Q5-V8 PolarHBondContact O-N 2.81Å; Q5-L9 WeakPolarHBondContact O-CB 3.35Å; Q5-L9 PolarHBondContact O-N 2.96Å; Q5-L50 HydrophobicContact CB-CD2 3.88Å; Q5-L50 HydrophobicContact CG-CD2 4.48Å; Q5-S53 PolarHBondContact OE1-OG 3.09Å; Q5-V54 HydrophobicContact CG-CG1 3.63Å
6E89.1Confident86.3Confident145 Ų14564.1 Ų64.168%0.67835%0.347SS*.Hα-helixtrans-62.8-47.8179.5-63.6166.8166.900111.1T4 V8 L9 C10T4-E6 VanDerWaalsContact C-N 3.26Å; T4-E6 PolarHBondContact O-N 3.38Å; E6-V8 VanDerWaalsContact C-N 3.3Å; E6-V8 PolarHBondContact O-N 2.58Å; E6-L9 PolarHBondContact O-N 3Å; E6-C10 PolarHBondContact O-N 3.09Å; E6-C10 PolarHBondContact O-SG 3.36Å; E6-C10 VanDerWaalsContact O-SG 3.35Å
7A89.8Confident86.4Confident26 Ų2660.6 Ų60.622%0.21533%0.33CS..Hα-helixtrans-59.3-40.1178.900000112.4T4 F11 F28T4-A7 PolarHBondContact O-N 2.89Å; T4-A7 PolarHBondContact OG1-N 2.99Å; A7-F11 WeakPolarHBondContact O-CB 3.32Å; A7-F11 PolarHBondContact O-N 3.46Å; A7-F28 HydrophobicContact CB-CE1 4.1Å; A7-F28 HydrophobicContact CB-CZ 4.38Å
8V91.1Very high86.6Confident0 Ų063.3 Ų63.30%034%0.338CS..Hα-helixtrans-69.7-35.7175.5-178.80000111.4T4 Q5 E6 L12 F28 F47 L50 V51 V54T4-V8 PolarHBondContact O-N 3.37Å; Q5-V8 PolarHBondContact O-N 2.81Å; E6-V8 VanDerWaalsContact C-N 3.3Å; E6-V8 PolarHBondContact O-N 2.58Å; V8-L12 HydrophobicContact CG1-CD1 4.27Å; V8-L12 WeakPolarHBondContact O-CD1 3.2Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.14Å; V8-L12 PolarHBondContact O-N 3.42Å; V8-F28 HydrophobicContact CB-CZ 4.41Å; V8-F28 HydrophobicContact CG2-CE1 4.02Å; V8-F28 HydrophobicContact CG2-CE2 4.29Å; V8-F28 HydrophobicContact CG2-CZ 3.88Å; V8-F47 HydrophobicContact CG2-CD2 4.45Å; V8-F47 HydrophobicContact CG2-CE2 4.38Å; V8-L50 HydrophobicContact CG2-CB 4.5Å; V8-V51 HydrophobicContact CG1-CG2 3.9Å; V8-V54 HydrophobicContact CG1-CG2 3.82Å
9L90.1Very high86.9Confident27 Ų2760.1 Ų60.114%0.14132%0.321CS..Hα-helixtrans-70.2-50.1177.8-177.358000111.9Q5 E6 F11 L12 L13 V54 V68 Y72Q5-L9 WeakPolarHBondContact O-CB 3.35Å; Q5-L9 PolarHBondContact O-N 2.96Å; E6-L9 PolarHBondContact O-N 3Å; L9-F11 PolarHBondContact O-N 2.83Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-L12 VanDerWaalsContact O-N 3.07Å; L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CG 4.14Å; L9-L13 HydrophobicContact CG-CD1 4.06Å; L9-L13 HydrophobicContact CG-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.41Å; L9-V54 HydrophobicContact CB-CG1 4.26Å; L9-V54 HydrophobicContact CD1-CB 4.47Å; L9-V54 HydrophobicContact CD1-CG1 4.5Å; L9-V68 HydrophobicContact CD1-CG1 4.44Å; L9-Y72 HydrophobicContact CD1-CG 4.19Å; L9-Y72 HydrophobicContact CD2-CD1 4.11Å; L9-Y72 HydrophobicContact CD2-CE1 4.35Å
10C88.2Confident87.2Confident64 Ų6461.5 Ų61.543%0.43232%0.324SS..Hα-helixtrans-54.3-51.8178.5-67.30000111.5E6 L12 L13 E14E6-C10 PolarHBondContact O-N 3.09Å; E6-C10 PolarHBondContact O-SG 3.36Å; E6-C10 VanDerWaalsContact O-SG 3.35Å; C10-L12 PolarHBondContact O-N 3.01Å; C10-L12 VanDerWaalsContact O-N 3.14Å; C10-L13 PolarHBondContact O-N 3.39Å; C10-E14 WeakPolarHBondContact O-CB 3.45Å; C10-E14 VanDerWaalsContact O-CG 3.26Å; C10-E14 WeakPolarHBondContact O-CG 3.43Å; C10-E14 PolarHBondContact O-N 2.92Å
11F91.2Very high87.4Confident4 Ų462 Ų622%0.01833%0.327CS..Hα-helixtrans-59.7-27178.5175.6-91.2000114.2A7 L9 V19 L24 H27 F28A7-F11 WeakPolarHBondContact O-CB 3.32Å; A7-F11 PolarHBondContact O-N 3.46Å; L9-F11 PolarHBondContact O-N 2.83Å; F11-V19 HydrophobicContact CE1-CG1 3.91Å; F11-V19 HydrophobicContact CE1-CG2 4.42Å; F11-V19 HydrophobicContact CZ-CG1 4.35Å; F11-L24 HydrophobicContact CD1-CD1 3.44Å; F11-L24 VanDerWaalsContact CD1-CD1 3.44Å; F11-L24 HydrophobicContact CE1-CB 4.15Å; F11-L24 HydrophobicContact CE1-CD1 3.48Å; F11-L24 VanDerWaalsContact CE1-CD1 3.48Å; F11-L24 HydrophobicContact CE1-CG 4.41Å; F11-H27 HydrophobicContact CD2-CB 4.18Å; F11-H27 AromaticContact CD2-CD2 3.86Å; F11-H27 AromaticContact CD2-CE1 3.55Å; F11-H27 AromaticContact CD2-CG 3.55Å; F11-H27 AromaticContact CD2-ND1 3.36Å; F11-H27 WeakPolarHBondContact CD2-ND1 3.37Å; F11-H27 AromaticContact CD2-NE2 3.87Å; F11-H27 HydrophobicContact CE1-CB 4.32Å; F11-H27 HydrophobicContact CE2-CB 3.51Å; F11-H27 AromaticContact CE2-CD2 3.63Å; F11-H27 AromaticContact CE2-CG 3.3Å; F11-H27 AromaticContact CE2-ND1 3.64Å; F11-H27 AromaticContact CG-ND1 3.81Å; F11-H27 HydrophobicContact CZ-CB 3.59Å; F11-H27 AromaticContact CZ-CG 3.91Å; F11-F28 HydrophobicContact CB-CE2 4.28Å; F11-F28 HydrophobicContact CB-CZ 4.37Å; F11-F28 HydrophobicContact CD1-CE2 4.12Å; F11-F28 HydrophobicContact CG-CE2 4.15Å
12L91.3Very high88.9Confident0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-82.8-33174-69.6173.2000112.3V8 L9 C10 G17 V19 L24 V54 A55 V66 V68V8-L12 HydrophobicContact CG1-CD1 4.27Å; V8-L12 WeakPolarHBondContact O-CD1 3.2Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.14Å; V8-L12 PolarHBondContact O-N 3.42Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-L12 VanDerWaalsContact O-N 3.07Å; C10-L12 PolarHBondContact O-N 3.01Å; C10-L12 VanDerWaalsContact O-N 3.14Å; L12-G17 WeakPolarHBondContact O-CA 3.19Å; L12-G17 PolarHBondContact O-N 3.24Å; L12-V19 HydrophobicContact CD2-CB 3.88Å; L12-V19 HydrophobicContact CD2-CG2 3.61Å; L12-L24 HydrophobicContact CD2-CD1 4.2Å; L12-V54 HydrophobicContact CD1-CG2 4.13Å; L12-A55 HydrophobicContact CD1-CB 3.93Å; L12-V66 HydrophobicContact CD1-CG1 4.35Å; L12-V66 HydrophobicContact CD2-CB 4.47Å; L12-V66 HydrophobicContact CD2-CG1 4.2Å; L12-V68 HydrophobicContact CB-CG2 3.54Å; L12-V68 HydrophobicContact CD1-CG2 4.1Å; L12-V68 HydrophobicContact CG-CG2 4.39Å
13L88.3Confident89.6Confident34 Ų3455.2 Ų55.218%0.17829%0.289CS..Hα-helixtrans-70.1-49175.4-66.9179000111.1L9 C10 R15 G16 F75 V76L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CG 4.14Å; L9-L13 HydrophobicContact CG-CD1 4.06Å; L9-L13 HydrophobicContact CG-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.41Å; C10-L13 PolarHBondContact O-N 3.39Å; L13-R15 PolarHBondContact O-N 3.17Å; L13-G16 PolarHBondContact O-N 3.14Å; L13-F75 HydrophobicContact CD1-CB 4.17Å; L13-F75 HydrophobicContact CD2-CB 3.95Å; L13-V76 HydrophobicContact CD2-CG2 3.55Å
14E87.1Confident89.8Confident136 Ų13653.8 Ų53.864%0.63628%0.282SS*.THydrogen-bonded Turntrans-50.7-12.4174.5-73.1164.7-158.700114.9C10C10-E14 WeakPolarHBondContact O-CB 3.45Å; C10-E14 VanDerWaalsContact O-CG 3.26Å; C10-E14 WeakPolarHBondContact O-CG 3.43Å; C10-E14 PolarHBondContact O-N 2.92Å
15R87.4Confident89.8Confident113 Ų11354 Ų5443%0.42628%0.283SS..THydrogen-bonded Turntrans-121.727-179.2-63.5-175.3179.5-140.7-3.2112.5L13 G17 V19 E23L13-R15 PolarHBondContact O-N 3.17Å; R15-G17 VanDerWaalsContact C-N 3.33Å; R15-G17 PolarHBondContact O-N 2.94Å; R15-V19 HydrophobicContact CB-CG2 3.56Å; R15-V19 HydrophobicContact CG-CG2 4.13Å; R15-E23 IonicContact NH1-OE2 2.91Å; R15-E23 PolarHBondContact NH1-OE2 3.01Å
16G83.9Confident89.9Confident39 Ų3955 Ų5540%0.40229%0.291SS..THydrogen-bonded Turntrans65.832.6177.200000113.5L13 K18 V76L13-G16 PolarHBondContact O-N 3.14Å; G16-K18 PolarHBondContact O-N 3.17Å; G16-K18 VanDerWaalsContact O-N 3.11Å; G16-V76 VanDerWaalsContact O-CG1 3.3Å; G16-V76 WeakPolarHBondContact O-CG1 3.36Å
17G87.3Confident90Very high5 Ų552.6 Ų52.65%0.05228%0.279CS..THydrogen-bonded Turntrans72.5-0.417300000116.9L12 R15 V67 V68L12-G17 WeakPolarHBondContact O-CA 3.19Å; L12-G17 PolarHBondContact O-N 3.24Å; R15-G17 VanDerWaalsContact C-N 3.33Å; R15-G17 PolarHBondContact O-N 2.94Å; G17-V67 WeakPolarHBondContact O-CA 3.32Å; G17-V68 WeakPolarHBondContact O-CG2 3.44Å; G17-V68 PolarHBondContact O-N 2.91Å
18K89.6Confident90Very high109 Ų10951.5 Ų51.547%0.47427%0.27SS..EExtended strand (participates in β ladder)trans-133.4130.9172.493.3178.8-171.3-178.10111.6G16 F65 V66 V67G16-K18 PolarHBondContact O-N 3.17Å; G16-K18 VanDerWaalsContact O-N 3.11Å; K18-F65 HydrophobicContact CD-CD1 4.2Å; K18-F65 HydrophobicContact CD-CE1 4.39Å; K18-F65 HydrophobicContact CG-CD1 4.12Å; K18-F65 HydrophobicContact CG-CE1 4.5Å; K18-V66 WeakPolarHBondContact CA-O 3.36Å; K18-V67 HydrophobicContact CB-CG2 4.24Å
19V93.9Very high89.9Confident2 Ų257.2 Ų57.21%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-136145.8179.4-173.40000110.6F11 L12 R15 E23 L24 F65 V66F11-V19 HydrophobicContact CE1-CG1 3.91Å; F11-V19 HydrophobicContact CE1-CG2 4.42Å; F11-V19 HydrophobicContact CZ-CG1 4.35Å; L12-V19 HydrophobicContact CD2-CB 3.88Å; L12-V19 HydrophobicContact CD2-CG2 3.61Å; R15-V19 HydrophobicContact CB-CG2 3.56Å; R15-V19 HydrophobicContact CG-CG2 4.13Å; V19-E23 HydrophobicContact CG1-CB 3.8Å; V19-L24 HydrophobicContact CG1-CB 4.43Å; V19-F65 CarbonylContact O-C 3.57Å; V19-F65 WeakPolarHBondContact O-CA 3.24Å; V19-V66 PolarHBondContact N-O 2.83Å; V19-V66 PolarHBondContact O-N 2.9Å
20K93Very high89.8Confident88 Ų8860.6 Ų60.638%0.38332%0.321SS..EExtended strand (participates in β ladder)trans-66.8139.2173.8-57.7-172-159.3111.80109.8S22 E23 L24 V63 F65K20-S22 PolarHBondContact O-N 3.28Å; K20-S22 VanDerWaalsContact O-N 3.13Å; K20-E23 HydrophobicContact CB-CB 4.47Å; K20-E23 HydrophobicContact CB-CG 4.12Å; K20-E23 VanDerWaalsContact CD-OE1 3.28Å; K20-E23 WeakPolarHBondContact CD-OE1 3.26Å; K20-E23 WeakPolarHBondContact CE-OE1 3.41Å; K20-E23 WeakPolarHBondContact CG-OE1 3.49Å; K20-E23 IonicContact NZ-OE1 2.81Å; K20-E23 PolarHBondContact NZ-OE1 2.84Å; K20-E23 PolarHBondContact O-N 2.73Å; K20-L24 PolarHBondContact O-N 2.87Å; K20-L24 VanDerWaalsContact O-N 3.16Å; K20-V63 HydrophobicContact CD-CG1 4.26Å; K20-V63 HydrophobicContact CG-CG1 4.22Å; K20-F65 HydrophobicContact CG-CD1 4.21Å; K20-F65 HydrophobicContact CG-CE1 3.74Å; K20-F65 HydrophobicContact CG-CZ 4.31Å
21N91.1Very high89.6Confident73 Ų7359.9 Ų59.939%0.3931%0.312SS..Hα-helixtrans-56.5-33.8-179-17872.2000113.3V25 K64 V66N21-V25 WeakPolarHBondContact O-CB 3.45Å; N21-V25 VanDerWaalsContact O-CG2 3.3Å; N21-V25 WeakPolarHBondContact O-CG2 3.35Å; N21-V25 PolarHBondContact O-N 3.43Å; N21-K64 WeakPolarHBondContact CB-O 3.33Å; N21-K64 PolarHBondContact N-O 3.26Å; N21-V66 HydrophobicContact CB-CG2 4.24Å
22S90.3Very high89.4Confident70 Ų7060.3 Ų60.349%0.4932%0.315SS..Hα-helixtrans-64.4-41.8174.746.60000113.4K20 N26K20-S22 PolarHBondContact O-N 3.28Å; K20-S22 VanDerWaalsContact O-N 3.13Å; S22-N26 VanDerWaalsContact O-CB 3.27Å; S22-N26 WeakPolarHBondContact O-CB 3.41Å; S22-N26 PolarHBondContact O-N 3Å; S22-N26 PolarHBondContact O-ND2 2.94Å
23E90.6Very high89.2Confident58 Ų5863.8 Ų63.827%0.27133%0.333SS..Hα-helixtrans-67.5-43.3179.1-67.3169.6-152.800111.3R15 V19 K20 N26 H27R15-E23 IonicContact NH1-OE2 2.91Å; R15-E23 PolarHBondContact NH1-OE2 3.01Å; V19-E23 HydrophobicContact CG1-CB 3.8Å; K20-E23 HydrophobicContact CB-CB 4.47Å; K20-E23 HydrophobicContact CB-CG 4.12Å; K20-E23 VanDerWaalsContact CD-OE1 3.28Å; K20-E23 WeakPolarHBondContact CD-OE1 3.26Å; K20-E23 WeakPolarHBondContact CE-OE1 3.41Å; K20-E23 WeakPolarHBondContact CG-OE1 3.49Å; K20-E23 IonicContact NZ-OE1 2.81Å; K20-E23 PolarHBondContact NZ-OE1 2.84Å; K20-E23 PolarHBondContact O-N 2.73Å; E23-N26 PolarHBondContact O-N 3.36Å; E23-H27 PolarHBondContact O-N 2.63Å
24L91.7Very high89Confident1 Ų163.5 Ų63.51%0.00533%0.334CS..Hα-helixtrans-61.9-48.8175.8-177.869.8000111.5F11 L12 V19 K20 N26 H27 F28 F47 V51 V66F11-L24 HydrophobicContact CD1-CD1 3.44Å; F11-L24 VanDerWaalsContact CD1-CD1 3.44Å; F11-L24 HydrophobicContact CE1-CB 4.15Å; F11-L24 HydrophobicContact CE1-CD1 3.48Å; F11-L24 VanDerWaalsContact CE1-CD1 3.48Å; F11-L24 HydrophobicContact CE1-CG 4.41Å; L12-L24 HydrophobicContact CD2-CD1 4.2Å; V19-L24 HydrophobicContact CG1-CB 4.43Å; K20-L24 PolarHBondContact O-N 2.87Å; K20-L24 VanDerWaalsContact O-N 3.16Å; L24-N26 VanDerWaalsContact C-N 3.3Å; L24-N26 PolarHBondContact O-N 3.28Å; L24-H27 PolarHBondContact O-N 3.19Å; L24-F28 HydrophobicContact CD1-CD2 4.01Å; L24-F28 HydrophobicContact CD1-CE2 3.84Å; L24-F28 WeakPolarHBondContact O-CD2 3.4Å; L24-F28 PolarHBondContact O-N 3.04Å; L24-F47 HydrophobicContact CD2-CZ 4.27Å; L24-F47 HydrophobicContact CG-CZ 4.07Å; L24-V51 HydrophobicContact CD2-CG1 4.37Å; L24-V51 HydrophobicContact CD2-CG2 4.16Å; L24-V66 HydrophobicContact CD2-CB 4.06Å; L24-V66 HydrophobicContact CD2-CG1 3.92Å; L24-V66 HydrophobicContact CD2-CG2 3.8Å
25V90.8Very high88.7Confident57 Ų5761 Ų6135%0.34535%0.345SS..Hα-helixtrans-64.2-35.8177.7171.20000111.6N21 K29 F47N21-V25 WeakPolarHBondContact O-CB 3.45Å; N21-V25 VanDerWaalsContact O-CG2 3.3Å; N21-V25 WeakPolarHBondContact O-CG2 3.35Å; N21-V25 PolarHBondContact O-N 3.43Å; V25-K29 WeakPolarHBondContact O-CA 3.34Å; V25-K29 WeakPolarHBondContact O-CB 3.19Å; V25-K29 PolarHBondContact O-N 3.15Å; V25-F47 HydrophobicContact CG2-CE1 4.29Å
26N91.9Very high88.7Confident104 Ų10459.2 Ų59.256%0.55634%0.344SS*.Hα-helixtrans-67.2-40.7176.6-80.1-20.2000112.7S22 E23 L24 K29S22-N26 VanDerWaalsContact O-CB 3.27Å; S22-N26 WeakPolarHBondContact O-CB 3.41Å; S22-N26 PolarHBondContact O-N 3Å; S22-N26 PolarHBondContact O-ND2 2.94Å; E23-N26 PolarHBondContact O-N 3.36Å; L24-N26 VanDerWaalsContact C-N 3.3Å; L24-N26 PolarHBondContact O-N 3.28Å; N26-K29 WeakPolarHBondContact O-CB 3.39Å; N26-K29 PolarHBondContact O-N 3.38Å
27H90.6Very high88.9Confident94 Ų9462.2 Ų62.244%0.43536%0.356SS..Hα-helixtrans-62.4-45.8178.3-177.4-110000112.3F11 E23 L24 K29F11-H27 HydrophobicContact CD2-CB 4.18Å; F11-H27 AromaticContact CD2-CD2 3.86Å; F11-H27 AromaticContact CD2-CE1 3.55Å; F11-H27 AromaticContact CD2-CG 3.55Å; F11-H27 AromaticContact CD2-ND1 3.36Å; F11-H27 WeakPolarHBondContact CD2-ND1 3.37Å; F11-H27 AromaticContact CD2-NE2 3.87Å; F11-H27 HydrophobicContact CE1-CB 4.32Å; F11-H27 HydrophobicContact CE2-CB 3.51Å; F11-H27 AromaticContact CE2-CD2 3.63Å; F11-H27 AromaticContact CE2-CG 3.3Å; F11-H27 AromaticContact CE2-ND1 3.64Å; F11-H27 AromaticContact CG-ND1 3.81Å; F11-H27 HydrophobicContact CZ-CB 3.59Å; F11-H27 AromaticContact CZ-CG 3.91Å; E23-H27 PolarHBondContact O-N 2.63Å; L24-H27 PolarHBondContact O-N 3.19Å; H27-K29 VanDerWaalsContact C-N 3.29Å; H27-K29 PolarHBondContact O-N 3.48Å
28F91.5Very high88.9Confident4 Ų465.1 Ų65.12%0.01838%0.38CS..THydrogen-bonded Turntrans-852.8179.1-68-85.9000113.6L3 A7 V8 F11 L24 S30 L31 I32 F47L3-F28 HydrophobicContact CD1-CD1 3.76Å; L3-F28 HydrophobicContact CD1-CE1 4.47Å; L3-F28 HydrophobicContact CD1-CG 4.48Å; A7-F28 HydrophobicContact CB-CE1 4.1Å; A7-F28 HydrophobicContact CB-CZ 4.38Å; V8-F28 HydrophobicContact CB-CZ 4.41Å; V8-F28 HydrophobicContact CG2-CE1 4.02Å; V8-F28 HydrophobicContact CG2-CE2 4.29Å; V8-F28 HydrophobicContact CG2-CZ 3.88Å; F11-F28 HydrophobicContact CB-CE2 4.28Å; F11-F28 HydrophobicContact CB-CZ 4.37Å; F11-F28 HydrophobicContact CD1-CE2 4.12Å; F11-F28 HydrophobicContact CG-CE2 4.15Å; L24-F28 HydrophobicContact CD1-CD2 4.01Å; L24-F28 HydrophobicContact CD1-CE2 3.84Å; L24-F28 WeakPolarHBondContact O-CD2 3.4Å; L24-F28 PolarHBondContact O-N 3.04Å; F28-S30 VanDerWaalsContact C-N 3.26Å; F28-S30 PolarHBondContact O-N 3.05Å; F28-L31 HydrophobicContact CD1-CD1 4.14Å; F28-L31 PolarHBondContact O-N 2.93Å; F28-I32 HydrophobicContact CB-CD1 3.58Å; F28-I32 HydrophobicContact CB-CG1 4.21Å; F28-I32 WeakPolarHBondContact O-CD1 3.22Å; F28-I32 VanDerWaalsContact O-CG1 3.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.35Å; F28-I32 PolarHBondContact O-N 3.07Å; F28-F47 HydrophobicContact CB-CD2 4.27Å; F28-F47 HydrophobicContact CB-CE2 3.83Å; F28-F47 HydrophobicContact CB-CZ 4.37Å; F28-F47 AromaticContact CD2-CE2 3.85Å; F28-F47 HydrophobicContact CD2-CE2 3.85Å; F28-F47 HydrophobicContact CD2-CZ 4.48Å; F28-F47 HydrophobicContact CG-CD2 4.35Å; F28-F47 AromaticContact CG-CE2 3.79Å; F28-F47 HydrophobicContact CG-CE2 3.79Å
29K89.4Confident88.8Confident119 Ų11964.4 Ų64.452%0.51738%0.378SS..Hα-helixtrans-57.2-35.6-173.9-169.9177.4177.8-177.50113.5V25 N26 H27 L31 N33V25-K29 WeakPolarHBondContact O-CA 3.34Å; V25-K29 WeakPolarHBondContact O-CB 3.19Å; V25-K29 PolarHBondContact O-N 3.15Å; N26-K29 WeakPolarHBondContact O-CB 3.39Å; N26-K29 PolarHBondContact O-N 3.38Å; H27-K29 VanDerWaalsContact C-N 3.29Å; H27-K29 PolarHBondContact O-N 3.48Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-N33 WeakPolarHBondContact CG-ND2 3.38Å; K29-N33 WeakPolarHBondContact O-CB 3.46Å; K29-N33 PolarHBondContact O-N 3.12Å; K29-N33 PolarHBondContact O-ND2 2.88Å
30S87.1Confident88.6Confident99 Ų9968 Ų6869%0.69239%0.394SS*.Hα-helixtrans-73.3-20.3177.450.30000114.1F28F28-S30 VanDerWaalsContact C-N 3.26Å; F28-S30 PolarHBondContact O-N 3.05Å
31L84.3Confident88.5Confident48 Ų4867.6 Ų67.625%0.25139%0.393SS..Hα-helixtrans-99.3-14.6177.5-55.7-179.8000112.5M1 L3 F28 K29M1-L31 HydrophobicContact CB-CD1 4.1Å; M1-L31 WeakPolarHBondContact O-CD2 3.45Å; L3-L31 HydrophobicContact CB-CB 4.49Å; L3-L31 HydrophobicContact CD1-CB 4.28Å; F28-L31 HydrophobicContact CD1-CD1 4.14Å; F28-L31 PolarHBondContact O-N 2.93Å; K29-L31 VanDerWaalsContact C-N 3.33Å
32I87Confident88.4Confident14 Ų1469.5 Ų69.57%0.07240%0.399CS..Hα-helixtrans-96.7-24.3179.9-66.9166.6000111.7F28 R44 F47F28-I32 HydrophobicContact CB-CD1 3.58Å; F28-I32 HydrophobicContact CB-CG1 4.21Å; F28-I32 WeakPolarHBondContact O-CD1 3.22Å; F28-I32 VanDerWaalsContact O-CG1 3.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.35Å; F28-I32 PolarHBondContact O-N 3.07Å; I32-R44 HydrophobicContact CG2-CB 4.45Å; I32-R44 HydrophobicContact CG2-CG 3.39Å; I32-F47 HydrophobicContact CD1-CB 4.14Å; I32-F47 HydrophobicContact CD1-CD1 3.54Å; I32-F47 HydrophobicContact CD1-CD2 3.87Å; I32-F47 HydrophobicContact CD1-CE1 3.77Å; I32-F47 HydrophobicContact CD1-CE2 4.07Å; I32-F47 HydrophobicContact CD1-CG 3.57Å; I32-F47 HydrophobicContact CD1-CZ 4.01Å; I32-F47 HydrophobicContact CG1-CB 4.16Å; I32-F47 HydrophobicContact CG1-CD1 4.44Å; I32-F47 HydrophobicContact CG1-CD2 4.5Å; I32-F47 HydrophobicContact CG1-CG 4.13Å
33N87.3Confident88.5Confident72 Ų7267.3 Ų67.339%0.38538%0.382SS..  trans-105.194.1179.7-68.4-82000111.6K29 K40K29-N33 WeakPolarHBondContact CG-ND2 3.38Å; K29-N33 WeakPolarHBondContact O-CB 3.46Å; K29-N33 PolarHBondContact O-N 3.12Å; K29-N33 PolarHBondContact O-ND2 2.88Å; N33-K40 WeakPolarHBondContact OD1-CE 3.45Å; N33-K40 PolarHBondContact OD1-NZ 2.77Å
34S83.3Confident88.5Confident28 Ų2871 Ų7120%0.19639%0.393CS..  trans-87.5164.9166.9-47.50000111.2E39 N43S34-E39 WeakPolarHBondContact CB-OE1 3.36Å; S34-E39 WeakPolarHBondContact CB-OE2 3.27Å; S34-E39 PolarHBondContact OG-OE1 2.88Å; S34-E39 PolarHBondContact OG-OE2 3.14Å; S34-N43 PolarHBondContact OG-ND2 3.35Å
35G81.4Confident88.6Confident85 Ų8576.2 Ų76.288%0.87642%0.418SS*.SBendtrans-72.3-31.6177.900000113.6
36D87.6Confident88.6Confident75 Ų7576.4 Ų76.440%0.40142%0.417SS..SBendtrans-79.3128.4172.1166.933.1000111A38 E39 K40D36-A38 VanDerWaalsContact C-N 3.29Å; D36-A38 PolarHBondContact O-N 3.35Å; D36-A38 PolarHBondContact OD1-N 3.32Å; D36-A38 WeakPolarHBondContact OD2-CB 3.28Å; D36-E39 HydrophobicContact CB-CB 4.05Å; D36-E39 WeakPolarHBondContact OD2-CB 3.49Å; D36-E39 PolarHBondContact OD2-N 3.35Å; D36-K40 WeakPolarHBondContact O-CB 3.16Å; D36-K40 PolarHBondContact O-N 3.08Å
37P87.9Confident88.7Confident101 Ų10172.6 Ų72.666%0.65640%0.395SS*.Hα-helixtrans-60.1-30.717324.9-35.5000114.5Q41P37-Q41 PolarHBondContact O-N 3.29Å; P37-Q41 VanDerWaalsContact O-N 3.09Å
38A87.5Confident88.9Confident66 Ų6674.7 Ų74.755%0.54540%0.403SS..Hα-helixtrans-74.4-50.9-179.200000111.5D36 K40 Q41 H42D36-A38 VanDerWaalsContact C-N 3.29Å; D36-A38 PolarHBondContact O-N 3.35Å; D36-A38 PolarHBondContact OD1-N 3.32Å; D36-A38 WeakPolarHBondContact OD2-CB 3.28Å; A38-K40 VanDerWaalsContact C-N 3.29Å; A38-K40 PolarHBondContact O-N 3.05Å; A38-Q41 PolarHBondContact O-N 2.99Å; A38-Q41 VanDerWaalsContact O-N 3.09Å; A38-H42 PolarHBondContact O-N 3.42Å
39E87.8Confident88.9Confident94 Ų9482.5 Ų82.544%0.43944%0.437SS..Hα-helixtrans-56.5-42.4172.2-161.2-145.5134.400111.5S34 D36 Q41 H42 N43S34-E39 WeakPolarHBondContact CB-OE1 3.36Å; S34-E39 WeakPolarHBondContact CB-OE2 3.27Å; S34-E39 PolarHBondContact OG-OE1 2.88Å; S34-E39 PolarHBondContact OG-OE2 3.14Å; D36-E39 HydrophobicContact CB-CB 4.05Å; D36-E39 WeakPolarHBondContact OD2-CB 3.49Å; D36-E39 PolarHBondContact OD2-N 3.35Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-H42 WeakPolarHBondContact O-CB 3.31Å; E39-H42 PolarHBondContact O-N 3.41Å; E39-N43 WeakPolarHBondContact O-CB 3.42Å; E39-N43 VanDerWaalsContact O-CG 3.27Å; E39-N43 PolarHBondContact O-N 2.88Å; E39-N43 PolarHBondContact O-ND2 3.32Å; E39-N43 PolarHBondContact OE1-ND2 3.48Å
40K88.8Confident89.1Confident79 Ų7978.1 Ų78.134%0.34342%0.419SS..Hα-helixtrans-58.9-40.3174.4176.4175.3179.8170.20112.8N33 D36 A38 R44N33-K40 WeakPolarHBondContact OD1-CE 3.45Å; N33-K40 PolarHBondContact OD1-NZ 2.77Å; D36-K40 WeakPolarHBondContact O-CB 3.16Å; D36-K40 PolarHBondContact O-N 3.08Å; A38-K40 VanDerWaalsContact C-N 3.29Å; A38-K40 PolarHBondContact O-N 3.05Å; K40-R44 VanDerWaalsContact O-CG 3.24Å; K40-R44 WeakPolarHBondContact O-CG 3.22Å; K40-R44 PolarHBondContact O-N 2.72Å; K40-R44 VanDerWaalsContact O-N 3.14Å
41Q89.9Confident89.4Confident78 Ų7874.1 Ų74.136%0.36439%0.39SS..Hα-helixtrans-70.4-41.4175.7-179.758.814.600111.3P37 A38 E39 N43 R44 E45P37-Q41 PolarHBondContact O-N 3.29Å; P37-Q41 VanDerWaalsContact O-N 3.09Å; A38-Q41 PolarHBondContact O-N 2.99Å; A38-Q41 VanDerWaalsContact O-N 3.09Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; Q41-N43 PolarHBondContact O-N 2.91Å; Q41-R44 PolarHBondContact O-N 3.47Å; Q41-E45 PolarHBondContact NE2-OE1 3.41Å; Q41-E45 PolarHBondContact O-N 3.2Å
42H90.7Very high89.8Confident113 Ų11376 Ų7652%0.52340%0.401SS..Hα-helixtrans-56.9-48.5173.8-176.884.1000111.9A38 E39 R44 E45 L46A38-H42 PolarHBondContact O-N 3.42Å; E39-H42 WeakPolarHBondContact O-CB 3.31Å; E39-H42 PolarHBondContact O-N 3.41Å; H42-R44 VanDerWaalsContact C-N 3.31Å; H42-R44 PolarHBondContact O-N 3.18Å; H42-E45 PolarHBondContact O-N 3.41Å; H42-E45 VanDerWaalsContact O-N 3.15Å; H42-L46 WeakPolarHBondContact O-CB 3.45Å; H42-L46 PolarHBondContact O-N 2.97Å
43N91.3Very high90Very high24 Ų2476.8 Ų76.813%0.12841%0.407CS..Hα-helixtrans-64.8-33.1179.9-68.4-20.4000112.2L3 S34 E39 Q41 F47L3-N43 HydrophobicContact CD2-CB 4.25Å; S34-N43 PolarHBondContact OG-ND2 3.35Å; E39-N43 WeakPolarHBondContact O-CB 3.42Å; E39-N43 VanDerWaalsContact O-CG 3.27Å; E39-N43 PolarHBondContact O-N 2.88Å; E39-N43 PolarHBondContact O-ND2 3.32Å; E39-N43 PolarHBondContact OE1-ND2 3.48Å; Q41-N43 PolarHBondContact O-N 2.91Å; N43-F47 VanDerWaalsContact O-CB 3.22Å; N43-F47 WeakPolarHBondContact O-CB 3.3Å; N43-F47 PolarHBondContact O-N 3.31Å
44R91.7Very high90.1Very high135 Ų13573.3 Ų73.351%0.50939%0.389SS..Hα-helixtrans-66.7-41.8171.4-7317482.4-128.15.5112.8I32 K40 Q41 H42 K48I32-R44 HydrophobicContact CG2-CB 4.45Å; I32-R44 HydrophobicContact CG2-CG 3.39Å; K40-R44 VanDerWaalsContact O-CG 3.24Å; K40-R44 WeakPolarHBondContact O-CG 3.22Å; K40-R44 PolarHBondContact O-N 2.72Å; K40-R44 VanDerWaalsContact O-N 3.14Å; Q41-R44 PolarHBondContact O-N 3.47Å; H42-R44 VanDerWaalsContact C-N 3.31Å; H42-R44 PolarHBondContact O-N 3.18Å; R44-K48 WeakPolarHBondContact O-CB 3.37Å; R44-K48 PolarHBondContact O-N 3.25Å
45E92.6Very high90.6Very high112 Ų11272.1 Ų72.152%0.52338%0.381SS..Hα-helixtrans-70.4-42178.2-72.9-179.8-162.100112Q41 H42 K48 K49Q41-E45 PolarHBondContact NE2-OE1 3.41Å; Q41-E45 PolarHBondContact O-N 3.2Å; H42-E45 PolarHBondContact O-N 3.41Å; H42-E45 VanDerWaalsContact O-N 3.15Å; E45-K48 PolarHBondContact O-N 3.02Å; E45-K49 WeakPolarHBondContact O-CB 3.28Å; E45-K49 PolarHBondContact O-N 3.41Å
46L91.9Very high91.1Very high61 Ų6171.4 Ų71.432%0.31936%0.359SS..Hα-helixtrans-61.7-47.9174.6-172.2140.4000110.8L3 H42 K48 K49 L50L3-L46 HydrophobicContact CB-CD2 4.3Å; L3-L46 HydrophobicContact CD2-CD2 3.73Å; L3-L46 HydrophobicContact CG-CD2 3.78Å; H42-L46 WeakPolarHBondContact O-CB 3.45Å; H42-L46 PolarHBondContact O-N 2.97Å; L46-K48 PolarHBondContact O-N 3.43Å; L46-K49 WeakPolarHBondContact O-CB 3.35Å; L46-K49 PolarHBondContact O-N 3.31Å; L46-L50 HydrophobicContact CD2-CD1 3.63Å; L46-L50 HydrophobicContact CD2-CG 4.27Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.3Å; L46-L50 PolarHBondContact O-N 3.35Å
47F93.3Very high91.3Very high23 Ų2371.7 Ų71.710%0.10136%0.363CS..Hα-helixtrans-56.1-46.6172.5175.3-111000112.5L3 V8 L24 V25 F28 I32 N43 K49 L50 V51L3-F47 HydrophobicContact CD1-CB 4.37Å; L3-F47 HydrophobicContact CD1-CD2 3.98Å; L3-F47 HydrophobicContact CD2-CB 4.25Å; V8-F47 HydrophobicContact CG2-CD2 4.45Å; V8-F47 HydrophobicContact CG2-CE2 4.38Å; L24-F47 HydrophobicContact CD2-CZ 4.27Å; L24-F47 HydrophobicContact CG-CZ 4.07Å; V25-F47 HydrophobicContact CG2-CE1 4.29Å; F28-F47 HydrophobicContact CB-CD2 4.27Å; F28-F47 HydrophobicContact CB-CE2 3.83Å; F28-F47 HydrophobicContact CB-CZ 4.37Å; F28-F47 AromaticContact CD2-CE2 3.85Å; F28-F47 HydrophobicContact CD2-CE2 3.85Å; F28-F47 HydrophobicContact CD2-CZ 4.48Å; F28-F47 HydrophobicContact CG-CD2 4.35Å; F28-F47 AromaticContact CG-CE2 3.79Å; F28-F47 HydrophobicContact CG-CE2 3.79Å; I32-F47 HydrophobicContact CD1-CB 4.14Å; I32-F47 HydrophobicContact CD1-CD1 3.54Å; I32-F47 HydrophobicContact CD1-CD2 3.87Å; I32-F47 HydrophobicContact CD1-CE1 3.77Å; I32-F47 HydrophobicContact CD1-CE2 4.07Å; I32-F47 HydrophobicContact CD1-CG 3.57Å; I32-F47 HydrophobicContact CD1-CZ 4.01Å; I32-F47 HydrophobicContact CG1-CB 4.16Å; I32-F47 HydrophobicContact CG1-CD1 4.44Å; I32-F47 HydrophobicContact CG1-CD2 4.5Å; I32-F47 HydrophobicContact CG1-CG 4.13Å; N43-F47 VanDerWaalsContact O-CB 3.22Å; N43-F47 WeakPolarHBondContact O-CB 3.3Å; N43-F47 PolarHBondContact O-N 3.31Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 3.05Å; F47-L50 PolarHBondContact O-N 3.43Å; F47-V51 HydrophobicContact CD1-CG2 4.4Å; F47-V51 HydrophobicContact CD2-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 4.06Å; F47-V51 HydrophobicContact CE2-CG2 3.62Å; F47-V51 HydrophobicContact CG-CG2 4.39Å; F47-V51 HydrophobicContact CZ-CG2 3.67Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.01Å
48K93.8Very high91.4Very high138 Ų13874.6 Ų74.660%0.636%0.361SS*.Hα-helixtrans-60.7-40.5177.1-174.9-178178.2-173.80112R44 E45 L46 N52R44-K48 WeakPolarHBondContact O-CB 3.37Å; R44-K48 PolarHBondContact O-N 3.25Å; E45-K48 PolarHBondContact O-N 3.02Å; L46-K48 PolarHBondContact O-N 3.43Å; K48-N52 VanDerWaalsContact O-CB 3.29Å; K48-N52 WeakPolarHBondContact O-CB 3.24Å; K48-N52 VanDerWaalsContact O-CG 3.23Å; K48-N52 PolarHBondContact O-N 3.04Å
49K93.3Very high91.6Very high169 Ų16977.7 Ų77.774%0.73536%0.364SS*.Hα-helixtrans-64.1-43.4176-169.7179.4-177.2179.80111.4E45 L46 F47 S53E45-K49 WeakPolarHBondContact O-CB 3.28Å; E45-K49 PolarHBondContact O-N 3.41Å; L46-K49 WeakPolarHBondContact O-CB 3.35Å; L46-K49 PolarHBondContact O-N 3.31Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 3.05Å; K49-S53 PolarHBondContact O-N 3.18Å
50L92.6Very high91.4Very high26 Ų2676 Ų7614%0.13636%0.358CS..Hα-helixtrans-64-52.1176-67176.2000111.7L3 Q5 V8 L46 F47 N52 S53 V54L3-L50 HydrophobicContact CG-CD1 4.34Å; L3-L50 WeakPolarHBondContact O-CD1 3.44Å; Q5-L50 HydrophobicContact CB-CD2 3.88Å; Q5-L50 HydrophobicContact CG-CD2 4.48Å; V8-L50 HydrophobicContact CG2-CB 4.5Å; L46-L50 HydrophobicContact CD2-CD1 3.63Å; L46-L50 HydrophobicContact CD2-CG 4.27Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.3Å; L46-L50 PolarHBondContact O-N 3.35Å; F47-L50 PolarHBondContact O-N 3.43Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.4Å; L50-S53 WeakPolarHBondContact O-CA 3.25Å; L50-S53 WeakPolarHBondContact O-CB 3.35Å; L50-S53 PolarHBondContact O-N 3.35Å; L50-S53 PolarHBondContact O-OG 3.32Å; L50-V54 PolarHBondContact O-N 3.42Å
51V92.9Very high90.8Very high15 Ų1579.4 Ų79.49%0.09138%0.38CS..Hα-helixtrans-57.5-44.7178.7173.10000111.2V8 L24 F47 S53 V54 A55 V66V8-V51 HydrophobicContact CG1-CG2 3.9Å; L24-V51 HydrophobicContact CD2-CG1 4.37Å; L24-V51 HydrophobicContact CD2-CG2 4.16Å; F47-V51 HydrophobicContact CD1-CG2 4.4Å; F47-V51 HydrophobicContact CD2-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 4.06Å; F47-V51 HydrophobicContact CE2-CG2 3.62Å; F47-V51 HydrophobicContact CG-CG2 4.39Å; F47-V51 HydrophobicContact CZ-CG2 3.67Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.01Å; V51-S53 PolarHBondContact O-N 2.83Å; V51-V54 PolarHBondContact O-N 3.4Å; V51-A55 PolarHBondContact O-N 3.16Å; V51-V66 HydrophobicContact CG1-CG1 4.12Å
52N93.2Very high90.5Very high89 Ų8984.3 Ų84.348%0.47640%0.403SS..Hα-helixtrans-64.9-18.8176.2-75.9-4.7000114K48 L50 R69K48-N52 VanDerWaalsContact O-CB 3.29Å; K48-N52 WeakPolarHBondContact O-CB 3.24Å; K48-N52 VanDerWaalsContact O-CG 3.23Å; K48-N52 PolarHBondContact O-N 3.04Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.4Å; N52-R69 PolarHBondContact O-NH1 2.67Å; N52-R69 PolarHBondContact O-NH2 2.88Å
53S90.8Very high90.3Very high29 Ų2981.9 Ų81.920%0.20340%0.395CS..Hα-helixtrans-79.2-42.3175.779.50000111.9Q5 K49 L50 V51 R69Q5-S53 PolarHBondContact OE1-OG 3.09Å; K49-S53 PolarHBondContact O-N 3.18Å; L50-S53 WeakPolarHBondContact O-CA 3.25Å; L50-S53 WeakPolarHBondContact O-CB 3.35Å; L50-S53 PolarHBondContact O-N 3.35Å; L50-S53 PolarHBondContact O-OG 3.32Å; V51-S53 PolarHBondContact O-N 2.83Å; S53-R69 WeakPolarHBondContact O-CD 3.48Å; S53-R69 PolarHBondContact O-NH1 3.23Å
54V90.9Very high90.2Very high0 Ų086.5 Ų86.50%041%0.414CS..Hα-helixtrans-92.8-29.9-174.5-65.70000114.5Q5 V8 L9 L12 L50 V51 R69 Y72Q5-V54 HydrophobicContact CG-CG1 3.63Å; V8-V54 HydrophobicContact CG1-CG2 3.82Å; L9-V54 HydrophobicContact CB-CG1 4.26Å; L9-V54 HydrophobicContact CD1-CB 4.47Å; L9-V54 HydrophobicContact CD1-CG1 4.5Å; L12-V54 HydrophobicContact CD1-CG2 4.13Å; L50-V54 PolarHBondContact O-N 3.42Å; V51-V54 PolarHBondContact O-N 3.4Å; V54-R69 WeakPolarHBondContact O-CB 3.5Å; V54-R69 WeakPolarHBondContact O-CG 3.4Å; V54-R69 PolarHBondContact O-N 3.03Å; V54-Y72 HydrophobicContact CB-CD2 4.49Å; V54-Y72 HydrophobicContact CB-CE2 4.32Å; V54-Y72 HydrophobicContact CG1-CE2 4.17Å
55A93.2Very high90.2Very high3 Ų381.3 Ų81.33%0.02540%0.396CS..EExtended strand (participates in β ladder)trans-133.8170.9-167.200000113.7L12 V51 V66 V67L12-A55 HydrophobicContact CD1-CB 3.93Å; V51-A55 PolarHBondContact O-N 3.16Å; A55-V66 HydrophobicContact CB-CG1 3.41Å; A55-V66 VanDerWaalsContact CB-CG1 3.41Å; A55-V67 CarbonylContact C-O 3.55Å; A55-V67 VanDerWaalsContact CA-O 3.29Å; A55-V67 WeakPolarHBondContact CA-O 3.41Å; A55-V67 WeakPolarHBondContact CB-O 3.5Å
56V92.2Very high90.2Very high70 Ų7076 Ų7642%0.42437%0.371SS..EExtended strand (participates in β ladder)trans-134.9136.8172.9172.90000108.2V67 R69V56-V67 PolarHBondContact N-O 3.19Å; V56-V67 PolarHBondContact O-N 3.42Å; V56-R69 HydrophobicContact CG2-CG 3.78Å
57V91.5Very high90.2Very high80 Ų8074.2 Ų74.249%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-76.3129.1174.1-176.20000109.4K64 F65 V66V57-K64 HydrophobicContact CG1-CB 4.25Å; V57-F65 CarbonylContact C-O 3.54Å; V57-F65 WeakPolarHBondContact CA-O 3.26Å; V57-V66 HydrophobicContact CG2-CG2 4.46Å
58R89.4Confident90.2Very high162 Ų16273.4 Ų73.461%0.61136%0.359SS*.EExtended strand (participates in β ladder)trans-120.7137.4168.9-69.7-171.2170.7-139.2-2.7109.3I60 F65 V67R58-I60 HydrophobicContact CB-CD1 4.41Å; R58-I60 HydrophobicContact CB-CG1 4.29Å; R58-F65 PolarHBondContact N-O 3.14Å; R58-F65 PolarHBondContact O-N 3.01Å; R58-F65 VanDerWaalsContact O-O 3.12Å; R58-V67 HydrophobicContact CB-CG2 4.09Å; R58-V67 HydrophobicContact CG-CG2 4.22Å
59Q91.1Very high90Very high132 Ų13271.2 Ų71.262%0.61735%0.347SS*.EExtended strand (participates in β ladder)trans-92.3126.1170-170.1162.2-36.800108.1V63 K64Q59-V63 WeakPolarHBondContact CA-O 3.42Å; Q59-K64 HydrophobicContact CG-CG 4.43Å
60I83.6Confident89.5Confident59 Ų5970.8 Ų70.830%0.30335%0.346SS..EExtended strand (participates in β ladder)trans-142.4125.9-177.4-50.3176.1000105.6R58 E62 V63 F65R58-I60 HydrophobicContact CB-CD1 4.41Å; R58-I60 HydrophobicContact CB-CG1 4.29Å; I60-E62 PolarHBondContact O-N 3.13Å; I60-V63 PolarHBondContact N-O 3.16Å; I60-V63 PolarHBondContact O-N 3.08Å; I60-F65 HydrophobicContact CB-CD2 3.94Å; I60-F65 HydrophobicContact CB-CE2 4.15Å; I60-F65 HydrophobicContact CD1-CD2 4.28Å; I60-F65 HydrophobicContact CG1-CD2 4.28Å
61D76.8Confident89Confident149 Ų14977.6 Ų77.680%0.79737%0.369SS*.THydrogen-bonded Turntrans49.255177.6-44.4-31.9000112.1V63D61-V63 PolarHBondContact O-N 2.8Å
62E84.1Confident88.6Confident182 Ų18278.8 Ų78.885%0.8537%0.373SS*.THydrogen-bonded Turntrans61.6-17.9-173.5-53.5-168.2155.600116.5I60I60-E62 PolarHBondContact O-N 3.13Å
63V86.7Confident87.8Confident61 Ų6178.5 Ų78.537%0.3737%0.368SS..EExtended strand (participates in β ladder)trans-87.9138.9-177.1178.10000112K20 Q59 I60 D61 F65K20-V63 HydrophobicContact CD-CG1 4.26Å; K20-V63 HydrophobicContact CG-CG1 4.22Å; Q59-V63 WeakPolarHBondContact CA-O 3.42Å; I60-V63 PolarHBondContact N-O 3.16Å; I60-V63 PolarHBondContact O-N 3.08Å; D61-V63 PolarHBondContact O-N 2.8Å; V63-F65 HydrophobicContact CB-CD2 4.3Å; V63-F65 HydrophobicContact CB-CE2 3.76Å; V63-F65 HydrophobicContact CB-CZ 4.36Å; V63-F65 HydrophobicContact CG1-CD2 4.09Å; V63-F65 HydrophobicContact CG1-CE2 3.71Å; V63-F65 HydrophobicContact CG1-CZ 4Å; V63-F65 PolarHBondContact O-N 3.38Å
64K89.1Confident86.9Confident121 Ų12181.1 Ų81.153%0.52638%0.38SS..EExtended strand (participates in β ladder)trans-88.5106.6174.7-67.7178.9-178.3175.50110.7N21 V57 Q59N21-K64 WeakPolarHBondContact CB-O 3.33Å; N21-K64 PolarHBondContact N-O 3.26Å; V57-K64 HydrophobicContact CG1-CB 4.25Å; Q59-K64 HydrophobicContact CG-CG 4.43Å
65F91.8Very high85.9Confident26 Ų2686.6 Ų86.611%0.11440%0.404CS..EExtended strand (participates in β ladder)trans-94.1141.5173.6-70.1-89.2000111.1K18 V19 K20 V57 R58 I60 V63 V67K18-F65 HydrophobicContact CD-CD1 4.2Å; K18-F65 HydrophobicContact CD-CE1 4.39Å; K18-F65 HydrophobicContact CG-CD1 4.12Å; K18-F65 HydrophobicContact CG-CE1 4.5Å; V19-F65 CarbonylContact O-C 3.57Å; V19-F65 WeakPolarHBondContact O-CA 3.24Å; K20-F65 HydrophobicContact CG-CD1 4.21Å; K20-F65 HydrophobicContact CG-CE1 3.74Å; K20-F65 HydrophobicContact CG-CZ 4.31Å; V57-F65 CarbonylContact C-O 3.54Å; V57-F65 WeakPolarHBondContact CA-O 3.26Å; R58-F65 PolarHBondContact N-O 3.14Å; R58-F65 PolarHBondContact O-N 3.01Å; R58-F65 VanDerWaalsContact O-O 3.12Å; I60-F65 HydrophobicContact CB-CD2 3.94Å; I60-F65 HydrophobicContact CB-CE2 4.15Å; I60-F65 HydrophobicContact CD1-CD2 4.28Å; I60-F65 HydrophobicContact CG1-CD2 4.28Å; V63-F65 HydrophobicContact CB-CD2 4.3Å; V63-F65 HydrophobicContact CB-CE2 3.76Å; V63-F65 HydrophobicContact CB-CZ 4.36Å; V63-F65 HydrophobicContact CG1-CD2 4.09Å; V63-F65 HydrophobicContact CG1-CE2 3.71Å; V63-F65 HydrophobicContact CG1-CZ 4Å; V63-F65 PolarHBondContact O-N 3.38Å; F65-V67 HydrophobicContact CB-CG2 4.16Å
66V92.8Very high84.6Confident1 Ų187.2 Ų87.21%0.00641%0.408CS..EExtended strand (participates in β ladder)trans-93.2117.6164.9-176.60000106.9L12 K18 V19 N21 L24 V51 A55 V57L12-V66 HydrophobicContact CD1-CG1 4.35Å; L12-V66 HydrophobicContact CD2-CB 4.47Å; L12-V66 HydrophobicContact CD2-CG1 4.2Å; K18-V66 WeakPolarHBondContact CA-O 3.36Å; V19-V66 PolarHBondContact N-O 2.83Å; V19-V66 PolarHBondContact O-N 2.9Å; N21-V66 HydrophobicContact CB-CG2 4.24Å; L24-V66 HydrophobicContact CD2-CB 4.06Å; L24-V66 HydrophobicContact CD2-CG1 3.92Å; L24-V66 HydrophobicContact CD2-CG2 3.8Å; V51-V66 HydrophobicContact CG1-CG1 4.12Å; A55-V66 HydrophobicContact CB-CG1 3.41Å; A55-V66 VanDerWaalsContact CB-CG1 3.41Å; V57-V66 HydrophobicContact CG2-CG2 4.46Å
67V90.9Very high83Confident24 Ų2489.6 Ų89.615%0.14541%0.412CS..EExtended strand (participates in β ladder)trans-115.4132.3-175.5-172.20000109.4G17 K18 A55 V56 R58 F65G17-V67 WeakPolarHBondContact O-CA 3.32Å; K18-V67 HydrophobicContact CB-CG2 4.24Å; A55-V67 CarbonylContact C-O 3.55Å; A55-V67 VanDerWaalsContact CA-O 3.29Å; A55-V67 WeakPolarHBondContact CA-O 3.41Å; A55-V67 WeakPolarHBondContact CB-O 3.5Å; V56-V67 PolarHBondContact N-O 3.19Å; V56-V67 PolarHBondContact O-N 3.42Å; R58-V67 HydrophobicContact CB-CG2 4.09Å; R58-V67 HydrophobicContact CG-CG2 4.22Å; F65-V67 HydrophobicContact CB-CG2 4.16Å
68V93.4Very high81.1Confident5 Ų590 Ų903%0.0341%0.409CS..EExtended strand (participates in β ladder)trans-58.7137.7178.3175.30000110.9L9 L12 G17 Y72L9-V68 HydrophobicContact CD1-CG1 4.44Å; L12-V68 HydrophobicContact CB-CG2 3.54Å; L12-V68 HydrophobicContact CD1-CG2 4.1Å; L12-V68 HydrophobicContact CG-CG2 4.39Å; G17-V68 WeakPolarHBondContact O-CG2 3.44Å; G17-V68 PolarHBondContact O-N 2.91Å; V68-Y72 VanDerWaalsContact CG1-CB 3.47Å
69R89.5Confident79.2Confident92 Ų9287.6 Ų87.635%0.34741%0.405SS..  trans-66146.1178.2-79.7169.9153.3-175.2-7.3111.1N52 S53 V54 V56 R71 Y72 Q73N52-R69 PolarHBondContact O-NH1 2.67Å; N52-R69 PolarHBondContact O-NH2 2.88Å; S53-R69 WeakPolarHBondContact O-CD 3.48Å; S53-R69 PolarHBondContact O-NH1 3.23Å; V54-R69 WeakPolarHBondContact O-CB 3.5Å; V54-R69 WeakPolarHBondContact O-CG 3.4Å; V54-R69 PolarHBondContact O-N 3.03Å; V56-R69 HydrophobicContact CG2-CG 3.78Å; R69-R71 HydrophobicContact CB-CG 4.09Å; R69-R71 PolarHBondContact O-N 2.94Å; R69-Y72 HydrophobicContact CB-CD2 4.34Å; R69-Y72 CarbonylContact O-C 3.37Å; R69-Y72 WeakPolarHBondContact O-CA 3.3Å; R69-Y72 PolarHBondContact O-N 3.02Å; R69-Q73 PolarHBondContact O-N 3.2Å; R69-Q73 VanDerWaalsContact O-N 3.14Å
70K82.9Confident77.1Confident161 Ų16187.2 Ų87.270%0.740%0.404SS*.Hα-helixtrans-43.4-44.2-178.6-172175.5178.3-178.30114.2Y72 Q73K70-Y72 PolarHBondContact O-N 2.79Å; K70-Q73 WeakPolarHBondContact O-CB 3.29Å; K70-Q73 PolarHBondContact O-N 3.08Å
71R81.8Confident75.3Confident169 Ų16990.2 Ų90.264%0.63842%0.421SS*.Hα-helixtrans-59.6-8.317670.5-160.6-67.6-146.8-1.2116.7R69R69-R71 HydrophobicContact CB-CG 4.09Å; R69-R71 PolarHBondContact O-N 2.94Å
72Y84Confident73.8Confident40 Ų4090.3 Ų90.316%0.15742%0.417CS..Hα-helixtrans-129.33.6172.6-53.4-66.9000111.3L9 V54 V68 R69 K70 F75L9-Y72 HydrophobicContact CD1-CG 4.19Å; L9-Y72 HydrophobicContact CD2-CD1 4.11Å; L9-Y72 HydrophobicContact CD2-CE1 4.35Å; V54-Y72 HydrophobicContact CB-CD2 4.49Å; V54-Y72 HydrophobicContact CB-CE2 4.32Å; V54-Y72 HydrophobicContact CG1-CE2 4.17Å; V68-Y72 VanDerWaalsContact CG1-CB 3.47Å; R69-Y72 HydrophobicContact CB-CD2 4.34Å; R69-Y72 CarbonylContact O-C 3.37Å; R69-Y72 WeakPolarHBondContact O-CA 3.3Å; R69-Y72 PolarHBondContact O-N 3.02Å; K70-Y72 PolarHBondContact O-N 2.79Å; Y72-F75 HydrophobicContact CD1-CE2 4.39Å
73Q77.2Confident71.7Confident82 Ų8286.5 Ų86.538%0.38341%0.41SS..Hα-helixtrans-84.7-16.6-175.3-167.1178.39.100112R69 K70 F75 V76R69-Q73 PolarHBondContact O-N 3.2Å; R69-Q73 VanDerWaalsContact O-N 3.14Å; K70-Q73 WeakPolarHBondContact O-CB 3.29Å; K70-Q73 PolarHBondContact O-N 3.08Å; Q73-F75 VanDerWaalsContact C-N 3.32Å; Q73-V76 VanDerWaalsContact O-CB 3.28Å; Q73-V76 WeakPolarHBondContact O-CB 3.27Å; Q73-V76 PolarHBondContact O-N 2.86Å; Q73-V76 VanDerWaalsContact O-N 3.1Å
74D71.3Confident69.5Low85 Ų8590.4 Ų90.446%0.45543%0.428SS..Hα-helixtrans-70.5-32.3175-58.2-57.5000111.1V76 K77D74-V76 PolarHBondContact O-N 2.97Å; D74-V76 VanDerWaalsContact O-N 3.16Å; D74-K77 PolarHBondContact O-N 3.08Å; D74-K77 VanDerWaalsContact O-N 3.12Å; D74-K77 IonicContact OD1-NZ 2.6Å; D74-K77 PolarHBondContact OD1-NZ 3.35Å
75F69.8Low67Low115 Ų11594.1 Ų94.150%0.50444%0.444SS..Hα-helixtrans-60.7-19.1167-57.4-65.8000114L13 Y72 Q73L13-F75 HydrophobicContact CD1-CB 4.17Å; L13-F75 HydrophobicContact CD2-CB 3.95Å; Y72-F75 HydrophobicContact CD1-CE2 4.39Å; Q73-F75 VanDerWaalsContact C-N 3.32Å
76V66.6Low64.2Low16 Ų1695.6 Ų95.610%0.09747%0.467CS..Hα-helixtrans-82-24.8178.4-179.50000111.5L13 G16 Q73 D74L13-V76 HydrophobicContact CD2-CG2 3.55Å; G16-V76 VanDerWaalsContact O-CG1 3.3Å; G16-V76 WeakPolarHBondContact O-CG1 3.36Å; Q73-V76 VanDerWaalsContact O-CB 3.28Å; Q73-V76 WeakPolarHBondContact O-CB 3.27Å; Q73-V76 PolarHBondContact O-N 2.86Å; Q73-V76 VanDerWaalsContact O-N 3.1Å; D74-V76 PolarHBondContact O-N 2.97Å; D74-V76 VanDerWaalsContact O-N 3.16Å
77K58.4Low61.4Low119 Ų119104.2 Ų104.252%0.51751%0.507SS..Hα-helixtrans-78.2-33.4-177.9-65.2172.9-174.6154.80112.4D74 E79 M80D74-K77 PolarHBondContact O-N 3.08Å; D74-K77 VanDerWaalsContact O-N 3.12Å; D74-K77 IonicContact OD1-NZ 2.6Å; D74-K77 PolarHBondContact OD1-NZ 3.35Å; K77-E79 PolarHBondContact O-N 3.5Å; K77-M80 PolarHBondContact O-N 3.15Å
78E51.9Low58.5Low90 Ų90109.4 Ų109.442%0.42154%0.539SS..Hα-helixtrans-62.8-26.4-176.8-61.8-168.6141.700113.4Q82 Q261E78-Q82 PolarHBondContact O-NE2 2.95Å; E78-Q261 PolarHBondContact OE2-NE2 3.46Å
79E49.2Very low55.8Low111 Ų111113.7 Ų113.752%0.51958%0.575SS.*Hα-helixtrans-86.5-38.3175-65.3-168.714900113.2K77 D81 Q82K77-E79 PolarHBondContact O-N 3.5Å; E79-D81 PolarHBondContact O-N 3.3Å; E79-Q82 WeakPolarHBondContact O-CB 3.5Å; E79-Q82 PolarHBondContact O-N 2.88Å; E79-Q82 VanDerWaalsContact O-N 3.12Å
80M47.3Very low53Low124 Ų124116.2 Ų116.261%0.61160%0.596SS**Hα-helixtrans-76.1-23.7-166.8-150.1173.574.600114K77 Q82 S83K77-M80 PolarHBondContact O-N 3.15Å; M80-Q82 VanDerWaalsContact C-N 3.29Å; M80-S83 PolarHBondContact O-OG 3.3Å
81D44.9Very low50.8Low121 Ų121113.2 Ų113.265%0.64760%0.595SS**THydrogen-bonded Turntrans-73.7-18.9171-78.8-22.3000112.6E79E79-D81 PolarHBondContact O-N 3.3Å
82Q45.8Very low48.6Very low152 Ų152112.7 Ų112.771%0.7161%0.605SS**THydrogen-bonded Turntrans-76.3-23.9-179.2-59.6-176.238.900112.9E78 E79 M80 L84E78-Q82 PolarHBondContact O-NE2 2.95Å; E79-Q82 WeakPolarHBondContact O-CB 3.5Å; E79-Q82 PolarHBondContact O-N 2.88Å; E79-Q82 VanDerWaalsContact O-N 3.12Å; M80-Q82 VanDerWaalsContact C-N 3.29Å; Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 PolarHBondContact O-N 2.63Å
83S39.5Very low46Very low101 Ų101116 Ų11671%0.70664%0.64SS**THydrogen-bonded Turntrans-82.11.3-179.360.70000115.2M80M80-S83 PolarHBondContact O-OG 3.3Å
84L42.3Very low43.8Very low143 Ų143123.4 Ų123.475%0.74966%0.664SS**THydrogen-bonded Turntrans-114.2-17.9-177-94.9163.2000115.1Q82 G86Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 PolarHBondContact O-N 2.63Å; L84-G86 PolarHBondContact O-N 3.21Å
85F35.1Very low42Very low199 Ų199130.7 Ų130.787%0.87369%0.686SS**  trans-94.869178.8-85.1-82.3000112.6
86G32.7Very low40.1Very low57 Ų57130.3 Ų130.359%0.58870%0.697SS**  trans-118.614-169.400000117.6L84L84-G86 PolarHBondContact O-N 3.21Å
87Q34.2Very low38.4Very low182 Ų182134.2 Ų134.285%0.8573%0.725SS**SBendtrans-164.6130.4166.5-109.8140.310900115.2
88T31.3Very low36.9Very low133 Ų133134 Ų13482%0.81674%0.739SS**  trans55.1114154.350.20000122.7
89A35.3Very low35.8Very low95 Ų95136.4 Ų136.479%0.78576%0.759SS**  trans71.786130.900000121.9
90N31.5Very low34.7Very low146 Ų146135.5 Ų135.578%0.78177%0.765SS**  34.1115.1118.1-162.928.2000117.6
91S37.8Very low33.7Very low97 Ų97137.4 Ų137.468%0.67878%0.778SS**  -177.5149.970.843.70000116.1
92N33.6Very low32.6Very low159 Ų159140.9 Ų140.985%0.8578%0.783SS**  trans38.4105.9150.3-66.7-27.4000122.2
93A29.9Very low31.6Very low109 Ų109145.1 Ų145.190%0.90179%0.794SS**  trans-152.4144.1130.600000111.6
94R31.8Very low31.1Very low237 Ų237144.5 Ų144.589%0.89479%0.79SS**  trans-112.4136.8173.4-68.6-179.2178.1-180-1.2111
95R33.2Very low30.4Very low239 Ų239145.1 Ų145.190%0.90279%0.794SS**  trans171.5132.3130.4-89.1150.6-163.6-124.94.1108.1
96S28.9Very low29.9Very low107 Ų107140.9 Ų140.975%0.74878%0.781SS**  72.3130.658.6-153.30000111.4
97S31.5Very low29.7Very low98 Ų98146.4 Ų146.469%0.68579%0.789SS**  cis178.3148-439.30000111.8
98S27.8Very low29.2Very low114 Ų114143.3 Ų143.380%0.79779%0.787SS**  trans-160.4114.7154.737.70000108
99V29.2Very low28.7Very low140 Ų140142.4 Ų142.485%0.84879%0.785SS**  65.6106.561.9-1770000112.4
100S24.6Very low28.3Very low93 Ų93143.6 Ų143.665%0.6578%0.782SS**  trans-152.2114.8157.1-171.70000108.7
101N26.4Very low28Very low163 Ų163144.8 Ų144.887%0.87278%0.783SS**  trans-109.3143.3163.4-87.3-7.4000107.1
102Y22.8Very low27.4Very low195 Ų195144.1 Ų144.177%0.76578%0.778SS**  trans-116.5137.7174.5-98.7-94.9000110.6
103Y23.4Very low27.1Very low240 Ų240143.5 Ų143.594%0.94177%0.774SS**  trans-147.9156.1147.3-115.6-84.4000107.5
104S30.8Very low27.1Very low88 Ų88145.3 Ų145.362%0.61576%0.764SS**  trans-112.3175-158-59.30000115
105D25.8Very low26.8Very low156 Ų156141.1 Ų141.183%0.83475%0.754SS**  trans77.6145.9163.2-52-59.9000116.1
106D24.6Very low26.5Very low111 Ų111134.8 Ų134.859%0.59475%0.747SS**  cis-152.6156.115.7-166.8-6.9000112
107K28.6Very low26.2Very low173 Ų173133 Ų13375%0.75275%0.745SS**  trans60.6153.5167.7-78.4133.1-163.11590119.3
108S23.9Very low26.6Very low117 Ų117134.3 Ų134.382%0.81875%0.751SS**  cis-152.5172.8-646.10000112.2
109C22.3Very low26.5Very low113 Ų113132.9 Ų132.976%0.76475%0.746SS**  trans-81.7152-174.7-167.10000114.6
110V25.6Very low26.4Very low120 Ų120133.1 Ų133.173%0.72775%0.748SS**  -177.5143.9115.2-87.80000113
111E24.8Very low26.7Very low172 Ų172133.1 Ų133.180%0.80475%0.747SS**  trans49.8156141.4-63.4-162.493.900123
112S25.4Very low26.8Very low82 Ų82131.6 Ų131.657%0.57374%0.744SS**  cis-172157.2-18.4-94.40000110.4
113L28.8Very low27.3Very low146 Ų146127.2 Ų127.276%0.76475%0.748SS**  trans68.5129.1159.4-63.7160.1000117.7
114Q28.3Very low27.8Very low147 Ų147123.3 Ų123.369%0.68774%0.744SS**  77.4133.176.7-158158.4-1200111.4
115E25.3Very low28Very low149 Ų149124.2 Ų124.270%0.69675%0.75SS**  cis-159.2172.623.4-151.5151.1-145.100114.7
116S26.9Very low28.6Very low107 Ų107122 Ų12275%0.74875%0.754SS**  trans43.9138.6149.460.90000124.5
117G24.1Very low29.4Very low68 Ų68122.2 Ų122.270%0.70176%0.759SS**  trans-85.5-158.3153.100000112.7
118P39.5Very low29.7Very low126 Ų126120.2 Ų120.282%0.81876%0.761SS**  cis-146.3-172.22643.9-23.8000117.5
119A25.9Very low30.4Very low84 Ų84123.8 Ų123.869%0.69476%0.762SS**  trans78.5120.5140.900000124
120V27.6Very low30.8Very low146 Ų146124.2 Ų124.289%0.88576%0.761SS**  trans83.4150.7132.2172.10000121
121S29.8Very low31.2Very low92 Ų92126.7 Ų126.764%0.64377%0.769SS**  trans74111.1175.4-170.80000116.7
122T29.1Very low31.6Very low131 Ų131125.1 Ų125.180%0.80477%0.766SS**  72.9137.959.360.30000117.4
123A33.7Very low32Very low103 Ų103128.3 Ų128.385%0.85178%0.775SS**  trans81.6140166.800000119.4
124D32.1Very low32.1Very low159 Ų159126.6 Ų126.685%0.8578%0.775SS**  trans-72.7147.9175.7-63.7-85.4000113.5
125S36.9Very low32.3Very low106 Ų106130.4 Ų130.474%0.74178%0.784SS**  trans-164107.6144-870000111.8T127S125-T127 PolarHBondContact O-N 2.96Å; S125-T127 VanDerWaalsContact O-N 3.14Å
126A37.8Very low32.6Very low110 Ų110131.3 Ų131.391%0.90979%0.793SS**  trans-67.5108.617000000110.2
127T41Very low33.2Very low115 Ų115134 Ų13471%0.70679%0.794SS**  trans-116.499.9176.140.70000111S125 K129S125-T127 PolarHBondContact O-N 2.96Å; S125-T127 VanDerWaalsContact O-N 3.14Å; T127-K129 PolarHBondContact O-N 3.35Å
128V35.3Very low33.9Very low131 Ų131136.2 Ų136.279%0.79480%0.796SS**  trans-66.2124.3172.9176.50000109.4V130V128-V130 HydrophobicContact CG1-CG2 3.98Å
129K37.5Very low33.5Very low192 Ų192134.9 Ų134.984%0.83579%0.789SS**  trans-12091.4167.9-75.2-174.9175.21780110T127T127-K129 PolarHBondContact O-N 3.35Å
130V32.3Very low33.9Very low123 Ų123142.2 Ų142.275%0.74580%0.798SS**  trans-77.2121.1163.4176.10000107.8V128V128-V130 HydrophobicContact CG1-CG2 3.98Å
131L33.5Very low34.5Very low172 Ų172140.4 Ų140.490%0.90180%0.798SS**  trans-122.1141.1157.4-76.9172.7000108.2
132N32.3Very low35.1Very low139 Ų139141.3 Ų141.374%0.74381%0.805SS**  trans-127.7172.5-174-178.624.2000107.9
133I33.5Very low36Very low148 Ų148144.6 Ų144.676%0.75981%0.808SS**  trans77136.8175.3-44.1156.4000110.9
134S31.1Very low36.4Very low110 Ų110145.6 Ų145.677%0.76981%0.808SS**  cis-128.9174.810.9-1530000114.4
135R33.1Very low36.9Very low228 Ų228141.5 Ų141.586%0.8680%0.804SS**  trans-65.7152.6161.2-70.5170.5162.9150.7-7.4110.5
136D31.1Very low37.5Very low167 Ų167140.1 Ų140.189%0.89380%0.799SS**  -140.8147112.1-117.3-34.1000110.8
137Q40.8Very low37.7Very low163 Ų163141.6 Ų141.676%0.76280%0.796SS**  trans-163.9141.2178.3-160.8-160.6100.800110.6
138P38.1Very low37.5Very low116 Ų116144.9 Ų144.975%0.75380%0.801SS**  -136.9138.7127.835.5-24.1000114
139C31Very low37.8Very low98 Ų98142.9 Ų142.966%0.66280%0.799SS**  trans50.7128.3133.2-68.40000120
140R34Very low38Very low238 Ų238140.3 Ų140.390%0.89880%0.799SS**  cis-161.2130.213-94.3160177.5-178.6-0.7109.6
141A40.8Very low38.4Very low107 Ų107141.4 Ų141.488%0.88480%0.799SS**  trans-167.7129.7146.500000109.7
142S41.4Very low38.8Very low112 Ų112137.8 Ų137.878%0.78379%0.794SS**  trans-92.1133.9179.6-53.90000112
143K49.1Very low39.2Very low200 Ų200137 Ų13787%0.8779%0.794SS**  176.9126.8114.8-91.3150.6-170.2177.10113.3
144S42.5Very low39.8Very low123 Ų123139.3 Ų139.386%0.8679%0.793SS**  trans32.8104.6152.1-154.90000119.4
145G40.8Very low40Very low74 Ų74138.7 Ų138.776%0.76379%0.789SS**PPolyproline II helixtrans-93.4129.1158.300000110.7
146A51Low40.5Very low76 Ų76133.7 Ų133.763%0.62879%0.785SS**PPolyproline II helixtrans-87126.9176.200000111.1F148A146-F148 HydrophobicContact CB-CD2 4.36Å; A146-F148 HydrophobicContact CB-CE2 3.72Å; A146-F148 HydrophobicContact CB-CZ 4.27Å
147V40.6Very low40.8Very low141 Ų141132.6 Ų132.686%0.85578%0.775SS**PPolyproline II helixtrans-93.7116.6176.8-179.70000109.4
148F38.2Very low40.5Very low184 Ų184136.3 Ų136.381%0.80778%0.782SS**  trans-107.3107.1173.5-68.5-80.7000110A146A146-F148 HydrophobicContact CB-CD2 4.36Å; A146-F148 HydrophobicContact CB-CE2 3.72Å; A146-F148 HydrophobicContact CB-CZ 4.27Å
149A41.6Very low40.2Very low90 Ų90138.5 Ų138.574%0.74479%0.787SS**  trans-83.6125.7170.200000110
150V41.7Very low40.5Very low138 Ų138139.5 Ų139.584%0.83680%0.796SS**  trans-99.6107.7172.6-179.90000108.5A152V150-A152 PolarHBondContact O-N 3.19Å
151I40Very low40.4Very low146 Ų146132.6 Ų132.675%0.74979%0.789SS**  trans-83.5102.7176.7-56.5177.8000108.6V153I151-V153 HydrophobicContact CG2-CG2 3.94Å; I151-V153 PolarHBondContact O-N 3.19Å
152A42.7Very low40Very low95 Ų95132.4 Ų132.479%0.78579%0.788SS**  trans-79.294.4173.800000110.6V150 R154V150-A152 PolarHBondContact O-N 3.19Å; A152-R154 PolarHBondContact O-N 2.94Å
153V40.8Very low39.6Very low123 Ų123130.5 Ų130.575%0.74579%0.785SS**  trans-80.5102175-1760000109.7I151 S155I151-V153 HydrophobicContact CG2-CG2 3.94Å; I151-V153 PolarHBondContact O-N 3.19Å; V153-S155 PolarHBondContact O-N 3.49Å
154R45.3Very low38.8Very low197 Ų197125.8 Ų125.874%0.74378%0.784SS**  trans-74.7112.3170.6-179.5176.7178.7178.5-0.8109.4A152 E157A152-R154 PolarHBondContact O-N 2.94Å; R154-E157 IonicContact CZ-OE1 2.66Å; R154-E157 IonicContact NE-OE1 3.69Å; R154-E157 PolarHBondContact NE-OE1 3.37Å; R154-E157 IonicContact NH2-OE1 3.25Å; R154-E157 PolarHBondContact NH2-OE1 3.45Å; R154-E157 IonicContact NH2-OE2 2.63Å
155S34.7Very low38.4Very low97 Ų97130.5 Ų130.568%0.67878%0.783SS**PPolyproline II helixtrans-65.7142.9166.2-57.20000110.1V153V153-S155 PolarHBondContact O-N 3.49Å
156P45.3Very low37.9Very low122 Ų122134.5 Ų134.579%0.79279%0.787SS**PPolyproline II helixtrans-72144-174.828.9-35000112.5
157E36.8Very low37Very low144 Ų144134.2 Ų134.267%0.67379%0.791SS**PPolyproline II helixtrans-66.8152.6168.2-77.7135.8-111.900111.1R154R154-E157 IonicContact CZ-OE1 2.66Å; R154-E157 IonicContact NE-OE1 3.69Å; R154-E157 PolarHBondContact NE-OE1 3.37Å; R154-E157 IonicContact NH2-OE1 3.25Å; R154-E157 PolarHBondContact NH2-OE1 3.45Å; R154-E157 IonicContact NH2-OE2 2.63Å
158R34.7Very low36.5Very low242 Ų242135.3 Ų135.391%0.91379%0.792SS**  trans-126.395.5-176.3-148.5-170.5-54.8-166.65.5109.9
159D31.6Very low36.1Very low162 Ų162137.1 Ų137.187%0.86679%0.793SS**  trans-70.6167.4179.3-96.5-49.6000113.7
160S37.5Very low35.6Very low119 Ų119136.9 Ų136.983%0.83279%0.786SS**  trans-101.8140.3-162.5-62.60000115.4
161A32.3Very low35Very low92 Ų92138.2 Ų138.276%0.7678%0.783SS**  trans-146124.315400000107
162A32.4Very low34.4Very low104 Ų104136 Ų13686%0.8678%0.776SS**  66.1121.163.200000112.3
163G31.4Very low33.9Very low71 Ų71139.8 Ų139.873%0.73278%0.777SS**  cis177.7-148.20.100000112
164A32.3Very low33.4Very low102 Ų102141.8 Ų141.884%0.84378%0.778SS**  trans70.5154.6176.500000116.9
165R34.3Very low32.8Very low222 Ų222140.4 Ų140.484%0.83878%0.78SS**  cis-165.6168.9-39.8-121.5179.1-170.5-174.72.2108.8
166D31.6Very low32.5Very low158 Ų158144.9 Ų144.985%0.84579%0.79SS**  trans63.8157.8168.1-51.5-25.1000117.1
167G31.4Very low31.6Very low70 Ų70143 Ų14372%0.72279%0.792SS**  cis-174.1110.4-6.900000115.1
168L30.6Very low31.4Very low164 Ų164143.8 Ų143.886%0.85980%0.801SS**  trans31.4143147.9-147.875.3000123.8
169R29.1Very low32.3Very low222 Ų222137 Ų13784%0.83879%0.789SS**  trans71155.3164.3-86.2178.3160.3170.5-6.8116.6
170S30.9Very low32.1Very low84 Ų84135 Ų13559%0.58778%0.778SS**  cis-148.2140.3-3.7-109.70000107.9
171Q29.6Very low31.8Very low166 Ų166136.9 Ų136.978%0.77677%0.771SS**  93.2138.367.2-153.1-1610.400114.2
172V28.1Very low31.7Very low101 Ų101137.2 Ų137.261%0.61277%0.774SS**  trans70.9103.7165.1-148.20000120.2
173H31.8Very low31.5Very low173 Ų173138.4 Ų138.480%0.80177%0.77SS**  -168.4159.1105.6-108.284.8000114.9
174Q30.8Very low31.5Very low165 Ų165142.2 Ų142.277%0.77177%0.772SS**  trans-121155.9174.3-60.2174.6-4.200109.9
175Q31.4Very low31.2Very low169 Ų169148.9 Ų148.979%0.7978%0.776SS**  trans157126.5140.7-84.6160.135.600108.5
176H28.9Very low31Very low190 Ų190144.2 Ų144.288%0.8877%0.772SS**  64.7117.972-86.580.1000114
177G26.3Very low31.4Very low82 Ų82142.3 Ų142.385%0.84577%0.768SS**  trans163.7105.817200000115.5
178N32Very low31.2Very low161 Ų161144 Ų14486%0.86177%0.769SS**  trans-164.5160.3169.4-159.722.8000106.1
179P53.3Low31.4Very low99 Ų99144 Ų14464%0.64377%0.768SS**  cis-125-170.9-1243.1-28.8000113.1
180D28.9Very low31.8Very low121 Ų121139.4 Ų139.465%0.64777%0.768SS**  -166.3146.9127-123.8-2.8000119.9
181K30Very low31.7Very low159 Ų159139.8 Ų139.869%0.69178%0.776SS**  trans23.1118.3152.7-68.1164.7-168.379.20124.7
182A29.7Very low32.5Very low99 Ų99137.2 Ų137.282%0.81877%0.774SS**  -168.8133.6129.300000110.5
183V29.9Very low32.5Very low128 Ų128138.7 Ų138.778%0.77678%0.783SS**  cis111.6130.7-8.3-167.20000117
184I29.8Very low32.3Very low151 Ų151134.6 Ų134.677%0.77477%0.773SS**  trans101.4102.6170.8-53.2-158.1000120.8
185R26.3Very low32.1Very low242 Ų242133.8 Ų133.891%0.91377%0.774SS**  trans69.1146.6142.2-80.4-177.5168.5155.9-2.4126.1
186V30.8Very low31.9Very low125 Ų125130.2 Ų130.276%0.75877%0.768SS**  trans-113.7157.1167.1-149.90000108.6
187P39.8Very low31.8Very low118 Ų118126.5 Ų126.577%0.76676%0.764SS**  -137.3139.110612.79.9000112.2
188S28Very low31.9Very low105 Ų105127.7 Ų127.773%0.73476%0.759SS**  87.6133.560.481.20000115.4
189L33.5Very low31.6Very low163 Ų163128.8 Ų128.885%0.85376%0.759SS**  trans-65.2167.7-176.1-74.5133.3000114.6
190P37.1Very low30.3Very low127 Ų127133.6 Ų133.683%0.82577%0.772SS**  -141.3162.6107.639.8-28.7000117.1
191A30.1Very low30.2Very low91 Ų91137.6 Ų137.675%0.75278%0.778SS**  trans-138.7177.7157.600000105.7
192P46.5Very low29.9Very low113 Ų113137.1 Ų137.173%0.73478%0.779SS**  cis-142.3-157.516.145.2-24.7000114.1
193T27.4Very low29.7Very low131 Ų131139.9 Ų139.980%0.80478%0.779SS**  trans132149.2155.252.40000112
194S27.3Very low29.9Very low87 Ų87141.3 Ų141.361%0.60878%0.78SS**  cis-165.5170.1-3553.30000109.3
195N27.4Very low29.7Very low148 Ų148143.2 Ų143.279%0.79178%0.783SS**  trans72154.1166-53.3-13000117.6
196S27.4Very low29.8Very low94 Ų94138.4 Ų138.466%0.65777%0.771SS**  cis-173.4140.6-28.452.60000111.1
197S26.1Very low29.7Very low113 Ų113138.9 Ų138.979%0.7978%0.777SS**  trans61.4164.616362.40000117
198S27.8Very low29.2Very low106 Ų106140.2 Ų140.274%0.74177%0.773SS**  cis-145.2172.27.9-34.20000112.4
199H25.6Very low29.1Very low185 Ų185139.4 Ų139.486%0.85677%0.766SS**  trans-58.2150.1172.1-41.3-97.9000114.5
200Q27.5Very low28.9Very low199 Ų199142.2 Ų142.293%0.9377%0.766SS**  -156.1174120.4-141.9153.3-3.700112.8
201R25.1Very low28.3Very low205 Ų205145.3 Ų145.377%0.77477%0.766SS**  trans-99.8165.3-172-79.3-166.3-176.3-178.3-1.9113.4
202E24.9Very low28.3Very low149 Ų149146.2 Ų146.270%0.69677%0.767SS**  trans48120.9144.5-67.2168.6108.500119.7
203L24.9Very low27.4Very low158 Ų158150.4 Ų150.483%0.82777%0.774SS**  -161.9153.6100.4-132.282.9000112.9
204I34.3Very low27.7Very low157 Ų157153.6 Ų153.681%0.80578%0.779SS**  trans-80.4141.8168.6-63.2161000109.3
205K25.9Very low27.7Very low191 Ų191156.1 Ų156.183%0.8379%0.791SS**  trans-152.4136.7161.1-111.7168.6-171.7175.10112.5
206E27.7Very low27.8Very low142 Ų142157.6 Ų157.666%0.66479%0.794SS**  trans-73.4150.2173.1-53.2-178.9135.500112.1Q208E206-Q208 PolarHBondContact O-N 3.18Å; E206-Q208 PolarHBondContact OE2-NE2 2.93Å
207P29.4Very low27.8Very low135 Ų135158.1 Ų158.188%0.87780%0.804SS**  trans-81.389.5159.633.2-30.7000110.3
208Q28.9Very low28Very low146 Ų146161.9 Ų161.968%0.68281%0.805SS**PPolyproline II helixtrans-64.6150.7176.4-89.3-74.4-33.800113.4E206E206-Q208 PolarHBondContact O-N 3.18Å; E206-Q208 PolarHBondContact OE2-NE2 2.93Å
209C27.2Very low28Very low88 Ų88166.4 Ų166.460%0.59582%0.815SS**PPolyproline II helixtrans-58.2147.3-174.8-172.70000114.2K211C209-K211 PolarHBondContact O-N 3.43Å
210W28.3Very low28.2Very low221 Ų221162 Ų16284%0.83781%0.811SS**PPolyproline II helixtrans-70.3116.517844-74.2000111.5
211K25.3Very low28.9Very low193 Ų193158.8 Ų158.884%0.83981%0.807SS**  trans-114.1109.5173.2-77178.3177169.90110.7C209C209-K211 PolarHBondContact O-N 3.43Å
212S30.4Very low29.2Very low109 Ų109152.4 Ų152.476%0.76281%0.805SS**  trans-71.8137.9173.6-55.30000111.7
213K27.4Very low29.6Very low202 Ų202151 Ų15188%0.87881%0.811SS**  trans-137.2134.2157.2-80-165.2173-172.80110
214Q32.6Very low30.6Very low197 Ų197148.6 Ų148.692%0.92181%0.805SS**  trans-84.5149.4164-67.1167.9-52.800109.1
215T28.4Very low30.5Very low141 Ų141148.9 Ų148.987%0.86581%0.808SS**  trans-149129.2161.37.30000108.5
216E29.4Very low30.9Very low179 Ų179146 Ų14684%0.83681%0.806SS**  trans-79.1148.1173.6-68.7174.371.500111.4
217A27.4Very low31.2Very low105 Ų105149.1 Ų149.187%0.86881%0.811SS**  trans-145.8135.1157.600000108.9
218K29.1Very low31.2Very low191 Ų191148.6 Ų148.683%0.8381%0.808SS**  trans-100140.6-178.9-65.1-179.5179.6178.30110.8
219Q27.4Very low31.5Very low202 Ų202149.3 Ų149.394%0.94481%0.811SS**  trans-152.7152.3160.7-116.1176.1500111.6
220A30.1Very low31.7Very low92 Ų92152.9 Ų152.976%0.7683%0.825SS**  trans-170.3169.4-176.700000108.8
221P43.8Very low31.9Very low131 Ų131151.4 Ų151.485%0.85182%0.824SS**  cis-125.5166-30.635.2-20.6000112.5
222G29.7Very low32.4Very low71 Ų71148.5 Ų148.573%0.73282%0.823SS**  trans176.8133.1171.200000112.8
223S33.4Very low32.6Very low119 Ų119150.5 Ų150.583%0.83282%0.824SS**  trans-153.6173.5-172.4-56.90000109.4
224P46.2Very low32.9Very low108 Ų108151.5 Ų151.570%0.70182%0.822SS**  cis-137.9-168.56.743.1-24.9000115.7
225L32.6Very low33Very low163 Ų163150.4 Ų150.485%0.85382%0.817SS**  trans70.4143.2171.5-95.463.9000115.7
226V34Very low33.3Very low130 Ų130148.1 Ų148.179%0.78881%0.812SS**  cis-127.3152.414.3175.80000111.7
227R33.6Very low34.1Very low208 Ų208147.9 Ų147.979%0.78582%0.817SS**  trans-80.1147172.2-92.1-179.8172.3167.5-1.8112.2
228P30.7Very low35.2Very low124 Ų124149.6 Ų149.681%0.80581%0.811SS**  -109.2154.9111.4-16.933.2000113.7N230P228-N230 PolarHBondContact O-N 3.49Å
229Q35Very low35.7Very low162 Ų162148.1 Ų148.176%0.75781%0.808SS**  trans-82.9109.1170.5-66.4169.9-66.200109.5
230N30Very low36.8Very low163 Ų163143.9 Ų143.987%0.87280%0.8SS**  trans-82.3117.1165.6-151.8-2.2000108.6P228P228-N230 PolarHBondContact O-N 3.49Å
231K33.5Very low38.2Very low189 Ų189144.3 Ų144.382%0.82279%0.793SS**  trans-71.3131.3-176.1-73176.8177.7175.20109.6L233K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 2.94Å
232T36.3Very low39.3Very low133 Ų133143.7 Ų143.782%0.81679%0.789SS**  trans-6494165.5-47.50000108.7R234T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 PolarHBondContact O-N 3.28Å
233L33.6Very low41.2Very low150 Ų150144.1 Ų144.179%0.78577%0.774SS**  trans-68.198.5169.5-174.270.2000107.3K231 Q235K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 2.94Å; L233-Q235 PolarHBondContact O-N 3.36Å; L233-Q235 VanDerWaalsContact O-N 3.1Å
234R34.7Very low43.5Very low223 Ų223144.1 Ų144.184%0.84276%0.761SS**  trans-62.3111.2159.2-51.1-169.997.3-145.73.4105T232 A236T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 PolarHBondContact O-N 3.28Å; R234-A236 PolarHBondContact O-N 3.36Å
235Q33.6Very low45.5Very low175 Ų175144.3 Ų144.382%0.81876%0.762SS**  trans-61.2125.5164.4-73-177.7-61.500106.2L233L233-Q235 PolarHBondContact O-N 3.36Å; L233-Q235 VanDerWaalsContact O-N 3.1Å
236A34.2Very low48.2Very low92 Ų92138.6 Ų138.676%0.7673%0.732SS**  trans-78.2127.1-177.900000108.9R234 D238R234-A236 PolarHBondContact O-N 3.36Å; A236-D238 PolarHBondContact O-N 2.89Å
237D47.6Very low50.9Low175 Ų175132.5 Ų132.594%0.93670%0.695SS**SBendtrans-74.974.1167.9-56-74000109.9
238D49.1Very low53.7Low140 Ų140127.4 Ų127.475%0.74968%0.68SS**  trans-166.293.6151.3-167.114.3000110.9A236A236-D238 PolarHBondContact O-N 2.89Å
239E40.3Very low56.8Low161 Ų161124.9 Ų124.975%0.75266%0.658SS**  trans-147.4112.3163.4-94.4-61.2165.800108.5V241E239-V241 HydrophobicContact CB-CG2 3.81Å; E239-V241 PolarHBondContact O-N 2.6Å
240S50Low59.6Low112 Ų112117.1 Ų117.178%0.78362%0.621SS**  trans-77.554.2174.5178.10000110.9P242S240-P242 WeakPolarHBondContact O-CD 3.44Å
241V60.2Low62.7Low102 Ų102110.1 Ų110.162%0.61858%0.584SS**PPolyproline II helixtrans-56.9122.1179-170.60000109.2E239 L243E239-V241 HydrophobicContact CB-CG2 3.81Å; E239-V241 PolarHBondContact O-N 2.6Å; V241-L243 PolarHBondContact O-N 2.78Å; V241-L243 VanDerWaalsContact O-N 3.1Å
242P67.3Low65.6Low118 Ų118104.8 Ų104.877%0.76657%0.567SS**PPolyproline II helixtrans-57.4119.4171.7-24.134.8000109.6S240 E244S240-P242 WeakPolarHBondContact O-CD 3.44Å; P242-E244 PolarHBondContact O-N 3.43Å
243L69.1Low68.4Low80 Ų80100.4 Ų100.442%0.41954%0.536SS..PPolyproline II helixtrans-55.1138.7173.9-71.8172.4000109.4V241 H248 L251V241-L243 PolarHBondContact O-N 2.78Å; V241-L243 VanDerWaalsContact O-N 3.1Å; L243-H248 HydrophobicContact CB-CB 4.01Å; L243-H248 HydrophobicContact CD1-CB 4.47Å; L243-L251 HydrophobicContact CD1-CD1 4.25Å
244E81.8Confident71.3Confident119 Ų11993.3 Ų93.356%0.55650%0.5SS*.PPolyproline II helixtrans-47.6129.8171.1-62.4174.2114.800109P242 I246 A247 H248 K275P242-E244 PolarHBondContact O-N 3.43Å; E244-I246 VanDerWaalsContact C-N 3.25Å; E244-I246 PolarHBondContact O-N 2.94Å; E244-I246 VanDerWaalsContact O-N 3.07Å; E244-A247 HydrophobicContact CB-CB 4.16Å; E244-A247 WeakPolarHBondContact O-CA 3.36Å; E244-A247 WeakPolarHBondContact O-CB 3.48Å; E244-A247 PolarHBondContact O-N 2.9Å; E244-H248 PolarHBondContact O-N 3.14Å; E244-K275 IonicContact OE2-NZ 2.72Å; E244-K275 PolarHBondContact OE2-NZ 3.42Å
245P88.3Confident74Confident111 Ų11185.3 Ų85.372%0.72148%0.481SS*.Hα-helixtrans-52.7-41.1-167.8-31.935.9000114.1A247 H248 E249P245-A247 VanDerWaalsContact C-N 3.34Å; P245-A247 PolarHBondContact O-N 3.07Å; P245-H248 PolarHBondContact O-N 3.24Å; P245-E249 VanDerWaalsContact O-CB 3.3Å; P245-E249 WeakPolarHBondContact O-CB 3.24Å; P245-E249 PolarHBondContact O-N 2.81Å
246I89.9Confident76.9Confident44 Ų4480 Ų8023%0.22647%0.468CS..Hα-helixtrans-66-31.9176.5-164.3174000113.3E244 W250 L265 Q268 L272E244-I246 VanDerWaalsContact C-N 3.25Å; E244-I246 PolarHBondContact O-N 2.94Å; E244-I246 VanDerWaalsContact O-N 3.07Å; I246-W250 WeakPolarHBondContact O-CB 3.5Å; I246-W250 PolarHBondContact O-N 2.98Å; I246-L265 HydrophobicContact CD1-CD2 4.43Å; I246-L265 HydrophobicContact CG1-CD2 4.06Å; I246-Q268 HydrophobicContact CD1-CG 4.11Å; I246-L272 HydrophobicContact CD1-CD1 4.25Å; I246-L272 HydrophobicContact CG1-CD1 4.1Å
247A91.1Very high79.7Confident2 Ų276.9 Ų76.92%0.01744%0.444CS..Hα-helixtrans-77.3-35.2175.300000111.7E244 P245 L251 L272 K275E244-A247 HydrophobicContact CB-CB 4.16Å; E244-A247 WeakPolarHBondContact O-CA 3.36Å; E244-A247 WeakPolarHBondContact O-CB 3.48Å; E244-A247 PolarHBondContact O-N 2.9Å; P245-A247 VanDerWaalsContact C-N 3.34Å; P245-A247 PolarHBondContact O-N 3.07Å; A247-L251 WeakPolarHBondContact O-CD1 3.42Å; A247-L251 WeakPolarHBondContact O-CG 3.36Å; A247-L251 PolarHBondContact O-N 3.35Å; A247-L272 HydrophobicContact CB-CD2 4.27Å; A247-K275 HydrophobicContact CB-CD 4.4Å
248H92.4Very high81.9Confident100 Ų10071.4 Ų71.446%0.46341%0.414SS..Hα-helixtrans-63.1-52.6170178.876.7000110.9L243 E244 P245 W250 L251 V252L243-H248 HydrophobicContact CB-CB 4.01Å; L243-H248 HydrophobicContact CD1-CB 4.47Å; E244-H248 PolarHBondContact O-N 3.14Å; P245-H248 PolarHBondContact O-N 3.24Å; H248-W250 VanDerWaalsContact C-N 3.34Å; H248-W250 PolarHBondContact O-N 3.27Å; H248-L251 PolarHBondContact O-N 3.3Å; H248-L251 VanDerWaalsContact O-N 3.16Å; H248-V252 WeakPolarHBondContact O-CG2 3.47Å; H248-V252 PolarHBondContact O-N 2.97Å
249E94.3Very high83.9Confident71 Ų7166.5 Ų66.533%0.33239%0.385SS..Hα-helixtrans-55.7-47.3178.8-172.1-167.1161.900111.7P245 L251 V252 K253 L265P245-E249 VanDerWaalsContact O-CB 3.3Å; P245-E249 WeakPolarHBondContact O-CB 3.24Å; P245-E249 PolarHBondContact O-N 2.81Å; E249-L251 PolarHBondContact O-N 3.4Å; E249-V252 PolarHBondContact O-N 3.02Å; E249-K253 HydrophobicContact CG-CD 3.91Å; E249-K253 WeakPolarHBondContact O-CB 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.28Å; E249-K253 WeakPolarHBondContact O-CG 3.38Å; E249-K253 PolarHBondContact O-N 2.96Å; E249-K253 WeakPolarHBondContact OE1-CE 3.21Å; E249-K253 IonicContact OE1-NZ 3.64Å; E249-K253 PolarHBondContact OE1-NZ 3.21Å; E249-L265 HydrophobicContact CG-CD1 4.1Å
250W94.8Very high86.2Confident0 Ų062 Ų620%038%0.381CS..Hα-helixtrans-52.7-51.6174.1170.6-100.5000112.7I246 H248 K253 C254 I262 L265 L266 L272 A284 L300I246-W250 WeakPolarHBondContact O-CB 3.5Å; I246-W250 PolarHBondContact O-N 2.98Å; H248-W250 VanDerWaalsContact C-N 3.34Å; H248-W250 PolarHBondContact O-N 3.27Å; W250-K253 PolarHBondContact O-N 3.02Å; W250-C254 WeakPolarHBondContact O-CB 3.19Å; W250-C254 PolarHBondContact O-N 3.12Å; W250-C254 PolarHBondContact O-SG 2.98Å; W250-I262 HydrophobicContact CE3-CG2 4.08Å; W250-I262 HydrophobicContact CH2-CG2 3.62Å; W250-I262 HydrophobicContact CZ2-CG2 4.41Å; W250-I262 HydrophobicContact CZ3-CB 4.41Å; W250-I262 HydrophobicContact CZ3-CG2 3.44Å; W250-I262 VanDerWaalsContact CZ3-CG2 3.44Å; W250-I262 WeakPolarHBondContact CZ3-O 3.17Å; W250-L265 HydrophobicContact CB-CD1 4.35Å; W250-L265 HydrophobicContact CE3-CB 3.83Å; W250-L265 HydrophobicContact CE3-CD1 4.36Å; W250-L265 HydrophobicContact CZ3-CB 4.21Å; W250-L266 HydrophobicContact CH2-CB 4.1Å; W250-L266 HydrophobicContact CH2-CD1 3.86Å; W250-L266 HydrophobicContact CH2-CG 4.47Å; W250-L266 HydrophobicContact CZ3-CB 3.89Å; W250-L266 HydrophobicContact CZ3-CD1 4.36Å; W250-L272 HydrophobicContact CB-CD1 4.3Å; W250-L272 HydrophobicContact CB-CD2 4.31Å; W250-L272 HydrophobicContact CD2-CB 3.58Å; W250-L272 HydrophobicContact CD2-CD1 4.18Å; W250-L272 HydrophobicContact CD2-CG 4.39Å; W250-L272 HydrophobicContact CE3-CB 3.85Å; W250-L272 HydrophobicContact CE3-CD1 3.88Å; W250-L272 HydrophobicContact CE3-CG 4.49Å; W250-L272 HydrophobicContact CG-CB 3.91Å; W250-L272 HydrophobicContact CG-CD1 4.36Å; W250-L272 HydrophobicContact CG-CD2 4.38Å; W250-L272 HydrophobicContact CG-CG 4.45Å; W250-L272 HydrophobicContact CH2-CB 4.34Å; W250-L272 HydrophobicContact CZ2-CB 4.09Å; W250-L272 HydrophobicContact CZ3-CB 4.2Å; W250-L272 PolarHBondContact NE1-O 2.84Å; W250-A284 HydrophobicContact CH2-CB 4.28Å; W250-A284 HydrophobicContact CZ2-CB 3.43Å; W250-A284 VanDerWaalsContact CZ2-CB 3.43Å; W250-L300 HydrophobicContact CH2-CD1 4Å; W250-L300 HydrophobicContact CZ2-CD1 4.22Å
251L94.6Very high88.2Confident15 Ų1559.2 Ų59.28%0.07936%0.356CS..Hα-helixtrans-68.8-41.2-176-68.4169.1000112L243 A247 H248 E249 C254 A255 K276 D277L243-L251 HydrophobicContact CD1-CD1 4.25Å; A247-L251 WeakPolarHBondContact O-CD1 3.42Å; A247-L251 WeakPolarHBondContact O-CG 3.36Å; A247-L251 PolarHBondContact O-N 3.35Å; H248-L251 PolarHBondContact O-N 3.3Å; H248-L251 VanDerWaalsContact O-N 3.16Å; E249-L251 PolarHBondContact O-N 3.4Å; L251-C254 PolarHBondContact O-N 2.79Å; L251-A255 PolarHBondContact O-N 3.08Å; L251-K276 WeakPolarHBondContact CD1-O 3.3Å; L251-D277 HydrophobicContact CD2-CB 4.09Å
252V94Very high89.7Confident77 Ų7754.7 Ų54.747%0.46733%0.328SS..Hα-helixtrans-60.9-47.3174.8170.70000110.6H248 E249 C254 A255 A256H248-V252 WeakPolarHBondContact O-CG2 3.47Å; H248-V252 PolarHBondContact O-N 2.97Å; E249-V252 PolarHBondContact O-N 3.02Å; V252-C254 VanDerWaalsContact C-N 3.35Å; V252-C254 PolarHBondContact O-N 2.87Å; V252-A255 PolarHBondContact O-N 2.89Å; V252-A256 WeakPolarHBondContact O-CB 3.43Å; V252-A256 PolarHBondContact O-N 2.63Å
253K94.8Very high90.8Very high41 Ų4153.5 Ų53.518%0.17831%0.309CS..Hα-helixtrans-65-38.3179.2-70.1179.2-179.1-170.60111.7E249 W250 A256 G257 L258 Q261 I262 L265E249-K253 HydrophobicContact CG-CD 3.91Å; E249-K253 WeakPolarHBondContact O-CB 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.28Å; E249-K253 WeakPolarHBondContact O-CG 3.38Å; E249-K253 PolarHBondContact O-N 2.96Å; E249-K253 WeakPolarHBondContact OE1-CE 3.21Å; E249-K253 IonicContact OE1-NZ 3.64Å; E249-K253 PolarHBondContact OE1-NZ 3.21Å; W250-K253 PolarHBondContact O-N 3.02Å; K253-A256 CarbonylContact O-C 3.56Å; K253-A256 PolarHBondContact O-N 3.15Å; K253-G257 PolarHBondContact O-N 3.44Å; K253-L258 HydrophobicContact CB-CB 4.17Å; K253-L258 HydrophobicContact CG-CB 4.4Å; K253-L258 HydrophobicContact CG-CD1 4.21Å; K253-L258 PolarHBondContact O-N 2.79Å; K253-Q261 HydrophobicContact CD-CB 3.98Å; K253-Q261 VanDerWaalsContact CD-OE1 3.31Å; K253-I262 HydrophobicContact CB-CD1 4.29Å; K253-I262 HydrophobicContact CB-CG1 3.82Å; K253-L265 HydrophobicContact CD-CD1 4.1Å
254C94.4Very high91.9Very high2 Ų252.5 Ų52.51%0.01431%0.313CS..Hα-helixtrans-60.9-44.7173.5-710000112.6W250 L251 V252 A256 G257 I262 A284 W287W250-C254 WeakPolarHBondContact O-CB 3.19Å; W250-C254 PolarHBondContact O-N 3.12Å; W250-C254 PolarHBondContact O-SG 2.98Å; L251-C254 PolarHBondContact O-N 2.79Å; V252-C254 VanDerWaalsContact C-N 3.35Å; V252-C254 PolarHBondContact O-N 2.87Å; C254-A256 VanDerWaalsContact C-N 3.28Å; C254-A256 PolarHBondContact O-N 2.88Å; C254-G257 PolarHBondContact O-N 2.76Å; C254-I262 HydrophobicContact CB-CD1 4.33Å; C254-A284 VanDerWaalsContact SG-CB 3.53Å; C254-W287 HydrophobicContact CB-CB 4.33Å; C254-W287 HydrophobicContact CB-CG 4.11Å
255A93.1Very high92.4Very high55 Ų5547.4 Ų47.446%0.45529%0.289SS..Hα-helixtrans-66.4-30.7176.500000112.8L251 V252 W287L251-A255 PolarHBondContact O-N 3.08Å; V252-A255 PolarHBondContact O-N 2.89Å; A255-W287 HydrophobicContact CB-CD2 4.44Å; A255-W287 HydrophobicContact CB-CE3 4.44Å; A255-W287 HydrophobicContact CB-CH2 3.95Å; A255-W287 HydrophobicContact CB-CZ2 3.93Å; A255-W287 HydrophobicContact CB-CZ3 4.2Å
256A94Very high92.6Very high64 Ų6442.2 Ų42.253%0.52926%0.255SS..Hα-helixtrans-84.6-7.4177.400000114.9V252 K253 C254 L258V252-A256 WeakPolarHBondContact O-CB 3.43Å; V252-A256 PolarHBondContact O-N 2.63Å; K253-A256 CarbonylContact O-C 3.56Å; K253-A256 PolarHBondContact O-N 3.15Å; C254-A256 VanDerWaalsContact C-N 3.28Å; C254-A256 PolarHBondContact O-N 2.88Å; A256-L258 VanDerWaalsContact C-N 3.35Å; A256-L258 HydrophobicContact CB-CD1 4.12Å; A256-L258 HydrophobicContact CB-CG 4Å
257G92.3Very high92.6Very high25 Ų2543.1 Ų43.126%0.25826%0.26SS..THydrogen-bonded Turntrans71.222.8-177.100000114.8K253 C254 W259K253-G257 PolarHBondContact O-N 3.44Å; C254-G257 PolarHBondContact O-N 2.76Å; G257-W259 PolarHBondContact O-N 2.98Å
258L94.5Very high92.7Very high61 Ų6149.9 Ų49.932%0.31929%0.291SS..  trans-80.157.4-176.3-66.2175.8000112.4K253 A256 G260 Q261 I262K253-L258 HydrophobicContact CB-CB 4.17Å; K253-L258 HydrophobicContact CG-CB 4.4Å; K253-L258 HydrophobicContact CG-CD1 4.21Å; K253-L258 PolarHBondContact O-N 2.79Å; A256-L258 VanDerWaalsContact C-N 3.35Å; A256-L258 HydrophobicContact CB-CD1 4.12Å; A256-L258 HydrophobicContact CB-CG 4Å; L258-G260 VanDerWaalsContact C-N 3.32Å; L258-G260 PolarHBondContact O-N 2.87Å; L258-Q261 PolarHBondContact O-N 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.38Å; L258-I262 PolarHBondContact O-N 3.1Å; L258-I262 VanDerWaalsContact O-N 3.07Å
259W90.9Very high92.6Very high37 Ų3747.2 Ų47.214%0.1428%0.281CS..Hα-helixtrans-55.6-35.3-168.3-60.9130.5000115.8G257 I262 Y263 W287 A288 D291 I296G257-W259 PolarHBondContact O-N 2.98Å; W259-I262 HydrophobicContact CD2-CD1 4.15Å; W259-I262 HydrophobicContact CE3-CD1 3.28Å; W259-I262 HydrophobicContact CE3-CG1 4.49Å; W259-I262 HydrophobicContact CE3-CG2 4.45Å; W259-I262 HydrophobicContact CZ3-CD1 3.53Å; W259-Y263 PolarHBondContact O-N 3.07Å; W259-Y263 VanDerWaalsContact O-N 3.11Å; W259-W287 HydrophobicContact CH2-CB 3.81Å; W259-A288 HydrophobicContact CH2-CB 4Å; W259-A288 HydrophobicContact CZ2-CB 4.38Å; W259-A288 HydrophobicContact CZ3-CB 4.41Å; W259-D291 HydrophobicContact CZ2-CB 3.88Å; W259-D291 PolarHBondContact NE1-OD2 3.27Å; W259-I296 HydrophobicContact CB-CD1 3.68Å; W259-I296 HydrophobicContact CB-CG1 3.61Å; W259-I296 HydrophobicContact CD2-CB 4.31Å; W259-I296 HydrophobicContact CD2-CD1 4.01Å; W259-I296 HydrophobicContact CD2-CG1 3.64Å; W259-I296 HydrophobicContact CD2-CG2 4.03Å; W259-I296 HydrophobicContact CE3-CB 4.3Å; W259-I296 HydrophobicContact CE3-CG1 3.91Å; W259-I296 HydrophobicContact CE3-CG2 3.54Å; W259-I296 HydrophobicContact CG-CD1 3.46Å; W259-I296 VanDerWaalsContact CG-CD1 3.46Å; W259-I296 HydrophobicContact CG-CG1 3.48Å; W259-I296 VanDerWaalsContact CG-CG1 3.48Å; W259-I296 HydrophobicContact CH2-CG2 4.41Å; W259-I296 HydrophobicContact CZ3-CG2 3.77Å
260G89.2Confident92.5Very high65 Ų6544.5 Ų44.567%0.6727%0.269SS*.Hα-helixtrans-64.4-39.3175.300000112.9L258L258-G260 VanDerWaalsContact C-N 3.32Å; L258-G260 PolarHBondContact O-N 2.87Å
261Q91.6Very high92.3Very high54 Ų5453 Ų5325%0.25230%0.301SS..Hα-helixtrans-76.5-37.1179.1-54.9-175.614.600111.3E78 K253 L258 Y263 A264 L265E78-Q261 PolarHBondContact OE2-NE2 3.46Å; K253-Q261 HydrophobicContact CD-CB 3.98Å; K253-Q261 VanDerWaalsContact CD-OE1 3.31Å; L258-Q261 PolarHBondContact O-N 3.3Å; Q261-Y263 VanDerWaalsContact C-N 3.26Å; Q261-Y263 PolarHBondContact O-N 2.87Å; Q261-A264 WeakPolarHBondContact O-CB 3.44Å; Q261-A264 PolarHBondContact O-N 3.31Å; Q261-A264 VanDerWaalsContact O-N 3.12Å; Q261-L265 PolarHBondContact O-N 3.34Å; Q261-L265 VanDerWaalsContact O-N 3.15Å
262I91.5Very high92.2Very high7 Ų752.4 Ų52.44%0.03630%0.298CS..Hα-helixtrans-58-39.3173.3-67.4163.9000111W250 K253 C254 L258 W259 A264 L265 L266W250-I262 HydrophobicContact CE3-CG2 4.08Å; W250-I262 HydrophobicContact CH2-CG2 3.62Å; W250-I262 HydrophobicContact CZ2-CG2 4.41Å; W250-I262 HydrophobicContact CZ3-CB 4.41Å; W250-I262 HydrophobicContact CZ3-CG2 3.44Å; W250-I262 VanDerWaalsContact CZ3-CG2 3.44Å; W250-I262 WeakPolarHBondContact CZ3-O 3.17Å; K253-I262 HydrophobicContact CB-CD1 4.29Å; K253-I262 HydrophobicContact CB-CG1 3.82Å; C254-I262 HydrophobicContact CB-CD1 4.33Å; L258-I262 WeakPolarHBondContact O-CG1 3.38Å; L258-I262 PolarHBondContact O-N 3.1Å; L258-I262 VanDerWaalsContact O-N 3.07Å; W259-I262 HydrophobicContact CD2-CD1 4.15Å; W259-I262 HydrophobicContact CE3-CD1 3.28Å; W259-I262 HydrophobicContact CE3-CG1 4.49Å; W259-I262 HydrophobicContact CE3-CG2 4.45Å; W259-I262 HydrophobicContact CZ3-CD1 3.53Å; I262-A264 VanDerWaalsContact C-N 3.31Å; I262-A264 PolarHBondContact O-N 2.94Å; I262-L265 PolarHBondContact O-N 3.38Å; I262-L266 WeakPolarHBondContact O-CB 3.3Å; I262-L266 PolarHBondContact O-N 2.87Å
263Y90.5Very high92.2Very high94 Ų9448.8 Ų48.837%0.36928%0.276SS..Hα-helixtrans-61.8-37.7176.7-172-102000112.7W259 Q261 L267 K299 V303W259-Y263 PolarHBondContact O-N 3.07Å; W259-Y263 VanDerWaalsContact O-N 3.11Å; Q261-Y263 VanDerWaalsContact C-N 3.26Å; Q261-Y263 PolarHBondContact O-N 2.87Å; Y263-L267 HydrophobicContact CD1-CD1 3.89Å; Y263-L267 HydrophobicContact CE1-CD1 3.53Å; Y263-L267 HydrophobicContact CE1-CG 4.32Å; Y263-L267 WeakPolarHBondContact O-CG 3.45Å; Y263-L267 PolarHBondContact O-N 2.85Å; Y263-L267 VanDerWaalsContact O-N 3.16Å; Y263-K299 HydrophobicContact CD2-CB 4.21Å; Y263-K299 HydrophobicContact CD2-CD 4.13Å; Y263-K299 HydrophobicContact CD2-CG 4.39Å; Y263-K299 HydrophobicContact CE2-CB 4.21Å; Y263-K299 HydrophobicContact CE2-CD 4.24Å; Y263-K299 HydrophobicContact CE2-CG 4.17Å; Y263-V303 HydrophobicContact CE2-CG2 3.69Å
264A91.2Very high92Very high59 Ų5951.8 Ų51.849%0.48829%0.291SS..Hα-helixtrans-66.3-45.8174.900000111.9Q261 I262 L266 L267 Q268Q261-A264 WeakPolarHBondContact O-CB 3.44Å; Q261-A264 PolarHBondContact O-N 3.31Å; Q261-A264 VanDerWaalsContact O-N 3.12Å; I262-A264 VanDerWaalsContact C-N 3.31Å; I262-A264 PolarHBondContact O-N 2.94Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.1Å; A264-L267 WeakPolarHBondContact O-CB 3.4Å; A264-L267 PolarHBondContact O-N 3.44Å; A264-L267 VanDerWaalsContact O-N 3.14Å; A264-Q268 PolarHBondContact O-N 2.91Å
265L93.1Very high92Very high11 Ų1155.1 Ų55.16%0.05831%0.305CS..Hα-helixtrans-61.5-39.5176.1-66.6177.6000112.3I246 E249 W250 K253 Q261 I262 L267 Q268 D269 L272I246-L265 HydrophobicContact CD1-CD2 4.43Å; I246-L265 HydrophobicContact CG1-CD2 4.06Å; E249-L265 HydrophobicContact CG-CD1 4.1Å; W250-L265 HydrophobicContact CB-CD1 4.35Å; W250-L265 HydrophobicContact CE3-CB 3.83Å; W250-L265 HydrophobicContact CE3-CD1 4.36Å; W250-L265 HydrophobicContact CZ3-CB 4.21Å; K253-L265 HydrophobicContact CD-CD1 4.1Å; Q261-L265 PolarHBondContact O-N 3.34Å; Q261-L265 VanDerWaalsContact O-N 3.15Å; I262-L265 PolarHBondContact O-N 3.38Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L265-Q268 WeakPolarHBondContact O-CA 3.43Å; L265-Q268 WeakPolarHBondContact O-CB 3.22Å; L265-Q268 PolarHBondContact O-N 3.06Å; L265-D269 PolarHBondContact O-N 3.18Å; L265-L272 HydrophobicContact CB-CD1 4.18Å
266L92.3Very high92Very high3 Ų357.1 Ų57.12%0.01630%0.303CS..Hα-helixtrans-64.7-31.4176.1-172.567.4000112.6W250 I262 A264 Q268 D269 T270 A273 L300 V303W250-L266 HydrophobicContact CH2-CB 4.1Å; W250-L266 HydrophobicContact CH2-CD1 3.86Å; W250-L266 HydrophobicContact CH2-CG 4.47Å; W250-L266 HydrophobicContact CZ3-CB 3.89Å; W250-L266 HydrophobicContact CZ3-CD1 4.36Å; I262-L266 WeakPolarHBondContact O-CB 3.3Å; I262-L266 PolarHBondContact O-N 2.87Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.1Å; L266-Q268 VanDerWaalsContact C-N 3.28Å; L266-D269 CarbonylContact O-C 3.05Å; L266-T270 HydrophobicContact CD1-CG2 4.3Å; L266-T270 HydrophobicContact CG-CG2 4.5Å; L266-T270 WeakPolarHBondContact O-CG2 3.15Å; L266-A273 HydrophobicContact CD1-CB 3.97Å; L266-L300 HydrophobicContact CD1-CD1 4.01Å; L266-L300 HydrophobicContact CD2-CD1 3.88Å; L266-V303 HydrophobicContact CD2-CB 3.8Å; L266-V303 HydrophobicContact CD2-CG1 3.91Å; L266-V303 HydrophobicContact CG-CB 4.37Å; L266-V303 HydrophobicContact CG-CG1 3.92Å
267L90.9Very high91.9Very high63 Ų6354.8 Ų54.833%0.3328%0.282SS..Hα-helixtrans-76.3-15173.2-70.3172.6000113.1Y263 A264 L265 V303 R307Y263-L267 HydrophobicContact CD1-CD1 3.89Å; Y263-L267 HydrophobicContact CE1-CD1 3.53Å; Y263-L267 HydrophobicContact CE1-CG 4.32Å; Y263-L267 WeakPolarHBondContact O-CG 3.45Å; Y263-L267 PolarHBondContact O-N 2.85Å; Y263-L267 VanDerWaalsContact O-N 3.16Å; A264-L267 WeakPolarHBondContact O-CB 3.4Å; A264-L267 PolarHBondContact O-N 3.44Å; A264-L267 VanDerWaalsContact O-N 3.14Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L267-V303 HydrophobicContact CD2-CG1 3.82Å; L267-R307 VanDerWaalsContact O-CZ 3.25Å; L267-R307 PolarHBondContact O-NH1 3.47Å; L267-R307 PolarHBondContact O-NH2 3.44Å
268Q91.9Very high91.9Very high143 Ų14361 Ų6167%0.66830%0.302SS*.Hα-helixtrans-88.2-53.8173.1-172.5174.70.300111.1I246 A264 L265 L266I246-Q268 HydrophobicContact CD1-CG 4.11Å; A264-Q268 PolarHBondContact O-N 2.91Å; L265-Q268 WeakPolarHBondContact O-CA 3.43Å; L265-Q268 WeakPolarHBondContact O-CB 3.22Å; L265-Q268 PolarHBondContact O-N 3.06Å; L266-Q268 VanDerWaalsContact C-N 3.28Å
269D91.2Very high91.7Very high45 Ų4565.2 Ų65.224%0.24132%0.322CS..  trans-135125.1170.317923.2000111.6L265 L266 R271 L272L265-D269 PolarHBondContact O-N 3.18Å; L266-D269 CarbonylContact O-C 3.05Å; D269-R271 WeakPolarHBondContact OD1-CB 3.45Å; D269-R271 WeakPolarHBondContact OD1-CG 3.44Å; D269-R271 PolarHBondContact OD1-N 3Å; D269-R271 WeakPolarHBondContact OD2-CB 3.32Å; D269-L272 HydrophobicContact CB-CD1 4.16Å; D269-L272 HydrophobicContact CB-CG 4.04Å; D269-L272 WeakPolarHBondContact O-CD1 3.28Å; D269-L272 WeakPolarHBondContact O-CG 3.45Å
270T91.4Very high91.8Very high13 Ų1365 Ų658%0.0833%0.326CS..SBendtrans-84-16.8177.8540000113.6L266 L272 A273 V303 R307 T309L266-T270 HydrophobicContact CD1-CG2 4.3Å; L266-T270 HydrophobicContact CG-CG2 4.5Å; L266-T270 WeakPolarHBondContact O-CG2 3.15Å; T270-L272 PolarHBondContact O-N 2.94Å; T270-A273 VanDerWaalsContact O-CB 3.3Å; T270-A273 WeakPolarHBondContact O-CB 3.39Å; T270-A273 PolarHBondContact O-N 3.23Å; T270-A273 VanDerWaalsContact O-N 3.08Å; T270-V303 HydrophobicContact CG2-CG1 4.43Å; T270-R307 HydrophobicContact CG2-CB 3.94Å; T270-R307 HydrophobicContact CG2-CG 4.35Å; T270-T309 PolarHBondContact OG1-OG1 3.06Å
271R90.8Very high92.1Very high180 Ų18062 Ų6268%0.67929%0.294SS*.G310 helixtrans-64.2-24.1176.5-58.5168174.2-171.4-1.8111.7D269 A273 Q274D269-R271 WeakPolarHBondContact OD1-CB 3.45Å; D269-R271 WeakPolarHBondContact OD1-CG 3.44Å; D269-R271 PolarHBondContact OD1-N 3Å; D269-R271 WeakPolarHBondContact OD2-CB 3.32Å; R271-A273 PolarHBondContact O-N 3.25Å; R271-Q274 PolarHBondContact O-N 2.92Å
272L92.8Very high92.3Very high1 Ų160.6 Ų60.61%0.00529%0.288CS..G310 helixtrans-51.9-34.4170.8-60.3177.9000112.8I246 A247 W250 L265 D269 T270 Q274 K275I246-L272 HydrophobicContact CD1-CD1 4.25Å; I246-L272 HydrophobicContact CG1-CD1 4.1Å; A247-L272 HydrophobicContact CB-CD2 4.27Å; W250-L272 HydrophobicContact CB-CD1 4.3Å; W250-L272 HydrophobicContact CB-CD2 4.31Å; W250-L272 HydrophobicContact CD2-CB 3.58Å; W250-L272 HydrophobicContact CD2-CD1 4.18Å; W250-L272 HydrophobicContact CD2-CG 4.39Å; W250-L272 HydrophobicContact CE3-CB 3.85Å; W250-L272 HydrophobicContact CE3-CD1 3.88Å; W250-L272 HydrophobicContact CE3-CG 4.49Å; W250-L272 HydrophobicContact CG-CB 3.91Å; W250-L272 HydrophobicContact CG-CD1 4.36Å; W250-L272 HydrophobicContact CG-CD2 4.38Å; W250-L272 HydrophobicContact CG-CG 4.45Å; W250-L272 HydrophobicContact CH2-CB 4.34Å; W250-L272 HydrophobicContact CZ2-CB 4.09Å; W250-L272 HydrophobicContact CZ3-CB 4.2Å; W250-L272 PolarHBondContact NE1-O 2.84Å; L265-L272 HydrophobicContact CB-CD1 4.18Å; D269-L272 HydrophobicContact CB-CD1 4.16Å; D269-L272 HydrophobicContact CB-CG 4.04Å; D269-L272 WeakPolarHBondContact O-CD1 3.28Å; D269-L272 WeakPolarHBondContact O-CG 3.45Å; T270-L272 PolarHBondContact O-N 2.94Å; L272-Q274 PolarHBondContact O-N 2.9Å; L272-Q274 VanDerWaalsContact O-N 3.08Å; L272-K275 HydrophobicContact CD2-CG 4.34Å; L272-K275 WeakPolarHBondContact O-CB 3.4Å; L272-K275 PolarHBondContact O-N 2.83Å
273A92.8Very high92.5Very high1 Ų160.5 Ų60.51%0.00829%0.287CS..G310 helixtrans-58.8-23.8177.300000114.4L266 T270 R271 L300 V311L266-A273 HydrophobicContact CD1-CB 3.97Å; T270-A273 VanDerWaalsContact O-CB 3.3Å; T270-A273 WeakPolarHBondContact O-CB 3.39Å; T270-A273 PolarHBondContact O-N 3.23Å; T270-A273 VanDerWaalsContact O-N 3.08Å; R271-A273 PolarHBondContact O-N 3.25Å; A273-L300 HydrophobicContact CB-CD1 3.76Å; A273-V311 HydrophobicContact CB-CG2 4.02Å
274Q92Very high92.8Very high105 Ų10556 Ų5649%0.49127%0.27SS..G310 helixtrans-94.3-16.2176.2-61.5-175-3.900113.6R271 L272 C310R271-Q274 PolarHBondContact O-N 2.92Å; L272-Q274 PolarHBondContact O-N 2.9Å; L272-Q274 VanDerWaalsContact O-N 3.08Å; Q274-C310 PolarHBondContact NE2-O 3.21Å
275K93.6Very high93.1Very high72 Ų7253.2 Ų53.231%0.31325%0.247SC..  trans-63.8139.9179-61.8-85.3-166.3164.50109.4E244 A247 L272 T283E244-K275 IonicContact OE2-NZ 2.72Å; E244-K275 PolarHBondContact OE2-NZ 3.42Å; A247-K275 HydrophobicContact CB-CD 4.4Å; L272-K275 HydrophobicContact CD2-CG 4.34Å; L272-K275 WeakPolarHBondContact O-CB 3.4Å; L272-K275 PolarHBondContact O-N 2.83Å; K275-T283 WeakPolarHBondContact O-CA 3.33Å
276K94.2Very high93.3Very high96 Ų9652.7 Ų52.742%0.41724%0.244SC..  trans-107.2149.8175.4-65.9-179.2178.4-171.40109.8L251 G281 F282 T283 K316L251-K276 WeakPolarHBondContact CD1-O 3.3Å; K276-G281 VanDerWaalsContact CD-O 3.3Å; K276-G281 WeakPolarHBondContact CD-O 3.33Å; K276-G281 WeakPolarHBondContact CG-O 3.46Å; K276-F282 WeakPolarHBondContact CA-O 3.49Å; K276-T283 HydrophobicContact CG-CG2 3.76Å; K276-K316 WeakPolarHBondContact CE-O 3.2Å; K276-K316 PolarHBondContact NZ-O 2.9Å
277D92.1Very high93.5Very high15 Ų1554.6 Ų54.68%0.0825%0.251CS..  trans-73.1155.6166.98699.8000111.5L251 M279 S280 G281 F282L251-D277 HydrophobicContact CD2-CB 4.09Å; D277-M279 WeakPolarHBondContact OD1-CA 3.48Å; D277-M279 WeakPolarHBondContact OD1-CB 3.43Å; D277-M279 PolarHBondContact OD1-N 2.85Å; D277-S280 PolarHBondContact OD1-N 2.85Å; D277-S280 PolarHBondContact OD1-OG 3.16Å; D277-S280 PolarHBondContact OD2-OG 3.08Å; D277-G281 VanDerWaalsContact O-CA 3.31Å; D277-G281 WeakPolarHBondContact O-CA 3.33Å; D277-G281 PolarHBondContact O-N 2.68Å; D277-G281 VanDerWaalsContact O-N 3.12Å; D277-G281 PolarHBondContact OD2-N 3.42Å; D277-G281 VanDerWaalsContact OD2-N 3.11Å; D277-F282 PolarHBondContact N-O 3.11Å; D277-F282 WeakPolarHBondContact OD2-CA 3.37Å; D277-F282 WeakPolarHBondContact OD2-CB 3.33Å; D277-F282 PolarHBondContact OD2-N 3.05Å
278F90.6Very high93.8Very high157 Ų15751.6 Ų51.669%0.68924%0.235SC*.THydrogen-bonded Turntrans-75.2-29.9-176.966.8-82.6000113.3H318F278-H318 PolarHBondContact O-NE2 3.21Å
279M90.6Very high94.1Very high149 Ų14944.8 Ų44.873%0.73420%0.204SC*.THydrogen-bonded Turntrans-79-42.4-172.7-56.7-178.269.700112.6D277D277-M279 WeakPolarHBondContact OD1-CA 3.48Å; D277-M279 WeakPolarHBondContact OD1-CB 3.43Å; D277-M279 PolarHBondContact OD1-N 2.85Å
280S92.9Very high94.4Very high33 Ų3346.8 Ų46.823%0.23121%0.21CC..THydrogen-bonded Turntrans-122.1-15.7-171.876.40000114.4D277 F282 A317 H318D277-S280 PolarHBondContact OD1-N 2.85Å; D277-S280 PolarHBondContact OD1-OG 3.16Å; D277-S280 PolarHBondContact OD2-OG 3.08Å; S280-F282 VanDerWaalsContact C-N 3.27Å; S280-F282 WeakPolarHBondContact OG-CB 3.27Å; S280-F282 WeakPolarHBondContact OG-CD1 3.46Å; S280-F282 WeakPolarHBondContact OG-CG 3.29Å; S280-F282 PolarHBondContact OG-N 2.81Å; S280-A317 WeakPolarHBondContact O-CB 3.49Å; S280-H318 VanDerWaalsContact C-CD2 3.43Å; S280-H318 PolarHBondContact O-N 3.06Å
281G95.7Very high94.6Very high0 Ų049.8 Ų49.80%023%0.226CC..  trans76.613.9-176.500000113.6K276 D277 H318K276-G281 VanDerWaalsContact CD-O 3.3Å; K276-G281 WeakPolarHBondContact CD-O 3.33Å; K276-G281 WeakPolarHBondContact CG-O 3.46Å; D277-G281 VanDerWaalsContact O-CA 3.31Å; D277-G281 WeakPolarHBondContact O-CA 3.33Å; D277-G281 PolarHBondContact O-N 2.68Å; D277-G281 VanDerWaalsContact O-N 3.12Å; D277-G281 PolarHBondContact OD2-N 3.42Å; D277-G281 VanDerWaalsContact OD2-N 3.11Å; G281-H318 VanDerWaalsContact CA-CE1 3.5Å; G281-H318 WeakPolarHBondContact CA-CE1 3.31Å; G281-H318 PolarHBondContact N-CD2 2.89Å; G281-H318 PolarHBondContact N-NE2 3.28Å
282F96.8Very high94.8Very high26 Ų2642 Ų4211%0.11420%0.202CC..  trans-74.4129.2-179.8-80.225.3000110.1K276 D277 S280 H286 W287 A317 I326K276-F282 WeakPolarHBondContact CA-O 3.49Å; D277-F282 PolarHBondContact N-O 3.11Å; D277-F282 WeakPolarHBondContact OD2-CA 3.37Å; D277-F282 WeakPolarHBondContact OD2-CB 3.33Å; D277-F282 PolarHBondContact OD2-N 3.05Å; S280-F282 VanDerWaalsContact C-N 3.27Å; S280-F282 WeakPolarHBondContact OG-CB 3.27Å; S280-F282 WeakPolarHBondContact OG-CD1 3.46Å; S280-F282 WeakPolarHBondContact OG-CG 3.29Å; S280-F282 PolarHBondContact OG-N 2.81Å; F282-H286 HydrophobicContact CB-CB 3.68Å; F282-H286 HydrophobicContact CD1-CB 4.15Å; F282-H286 HydrophobicContact CD2-CB 3.61Å; F282-H286 HydrophobicContact CE2-CB 4.28Å; F282-H286 HydrophobicContact CG-CB 3.53Å; F282-W287 HydrophobicContact CB-CZ2 4.29Å; F282-W287 VanDerWaalsContact CB-NE1 3.34Å; F282-W287 AromaticContact CD2-CD2 3.99Å; F282-W287 HydrophobicContact CD2-CD2 3.99Å; F282-W287 AromaticContact CD2-CE2 3.81Å; F282-W287 HydrophobicContact CD2-CE3 4.39Å; F282-W287 HydrophobicContact CD2-CG 4.4Å; F282-W287 HydrophobicContact CD2-CH2 4.44Å; F282-W287 HydrophobicContact CD2-CZ2 4.04Å; F282-W287 HydrophobicContact CG-CZ2 4.49Å; F282-A317 HydrophobicContact CD1-CB 3.58Å; F282-A317 HydrophobicContact CE1-CB 3.7Å; F282-I326 HydrophobicContact CE1-CD1 4.09Å; F282-I326 HydrophobicContact CE2-CD1 4.34Å; F282-I326 HydrophobicContact CE2-CG1 4.47Å; F282-I326 HydrophobicContact CZ-CD1 3.56Å; F282-I326 HydrophobicContact CZ-CG1 4.06Å
283T96.3Very high94.9Very high4 Ų443.7 Ų43.73%0.02521%0.214CC..  trans-80.9167.8161.763.40000110.1K275 K276 L285 H286 W287K275-T283 WeakPolarHBondContact O-CA 3.33Å; K276-T283 HydrophobicContact CG-CG2 3.76Å; T283-L285 PolarHBondContact O-N 3.48Å; T283-H286 PolarHBondContact N-ND1 3.35Å; T283-H286 WeakPolarHBondContact O-CB 3.46Å; T283-H286 PolarHBondContact O-N 2.96Å; T283-H286 PolarHBondContact OG1-ND1 2.83Å; T283-W287 PolarHBondContact O-N 2.85Å
284A95.9Very high95Very high1 Ų144.6 Ų44.61%0.00822%0.22CC..Hα-helixtrans-51.4-31.117300000113.5W250 C254 H286 W287 A288 L300W250-A284 HydrophobicContact CH2-CB 4.28Å; W250-A284 HydrophobicContact CZ2-CB 3.43Å; W250-A284 VanDerWaalsContact CZ2-CB 3.43Å; C254-A284 VanDerWaalsContact SG-CB 3.53Å; A284-H286 PolarHBondContact O-N 2.98Å; A284-W287 PolarHBondContact O-N 3.19Å; A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3.11Å; A284-L300 HydrophobicContact CB-CD1 4.32Å; A284-L300 HydrophobicContact CB-CD2 3.88Å
285L97Very high95.1Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-67.5-31.7176-173.660.1000113.1T283 A289 I297 L300 I301 V311 P323 L339T283-L285 PolarHBondContact O-N 3.48Å; L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.39Å; L285-A289 PolarHBondContact O-N 3.22Å; L285-I297 HydrophobicContact CD1-CB 4.29Å; L285-I297 HydrophobicContact CD1-CD1 4.47Å; L285-I297 HydrophobicContact CD1-CG1 3.97Å; L285-I297 HydrophobicContact CD1-CG2 3.82Å; L285-L300 HydrophobicContact CB-CD2 3.84Å; L285-L300 HydrophobicContact CD1-CD2 4.33Å; L285-I301 HydrophobicContact CD1-CD1 4.4Å; L285-V311 HydrophobicContact CD2-CG1 3.99Å; L285-P323 HydrophobicContact CB-CG 4.26Å; L285-P323 HydrophobicContact CD2-CB 4.47Å; L285-P323 HydrophobicContact CD2-CG 3.93Å; L285-P323 HydrophobicContact CG-CB 4.02Å; L285-P323 HydrophobicContact CG-CG 3.74Å; L285-L339 HydrophobicContact CD1-CD2 4.25Å
286H97.9Very high95.1Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-71.2-41.9172.8-66.171.6000110.9F282 T283 A284 A289 K290 S315 A317 Y321F282-H286 HydrophobicContact CB-CB 3.68Å; F282-H286 HydrophobicContact CD1-CB 4.15Å; F282-H286 HydrophobicContact CD2-CB 3.61Å; F282-H286 HydrophobicContact CE2-CB 4.28Å; F282-H286 HydrophobicContact CG-CB 3.53Å; T283-H286 PolarHBondContact N-ND1 3.35Å; T283-H286 WeakPolarHBondContact O-CB 3.46Å; T283-H286 PolarHBondContact O-N 2.96Å; T283-H286 PolarHBondContact OG1-ND1 2.83Å; A284-H286 PolarHBondContact O-N 2.98Å; H286-A289 PolarHBondContact O-N 2.93Å; H286-K290 WeakPolarHBondContact O-CB 3.49Å; H286-K290 PolarHBondContact O-N 2.87Å; H286-S315 PolarHBondContact CE1-O 2.89Å; H286-S315 VanDerWaalsContact CE1-O 3.22Å; H286-S315 PolarHBondContact NE2-O 3.14Å; H286-A317 PolarHBondContact NE2-N 2.91Å; H286-Y321 PolarHBondContact NE2-O 2.79Å
287W97.1Very high95.2Very high42 Ų4238.4 Ų38.416%0.15919%0.194CC..Hα-helixtrans-63-43.8176.2-69106.9000111.8C254 A255 W259 F282 T283 A284 A289 K290 D291C254-W287 HydrophobicContact CB-CB 4.33Å; C254-W287 HydrophobicContact CB-CG 4.11Å; A255-W287 HydrophobicContact CB-CD2 4.44Å; A255-W287 HydrophobicContact CB-CE3 4.44Å; A255-W287 HydrophobicContact CB-CH2 3.95Å; A255-W287 HydrophobicContact CB-CZ2 3.93Å; A255-W287 HydrophobicContact CB-CZ3 4.2Å; W259-W287 HydrophobicContact CH2-CB 3.81Å; F282-W287 HydrophobicContact CB-CZ2 4.29Å; F282-W287 VanDerWaalsContact CB-NE1 3.34Å; F282-W287 AromaticContact CD2-CD2 3.99Å; F282-W287 HydrophobicContact CD2-CD2 3.99Å; F282-W287 AromaticContact CD2-CE2 3.81Å; F282-W287 HydrophobicContact CD2-CE3 4.39Å; F282-W287 HydrophobicContact CD2-CG 4.4Å; F282-W287 HydrophobicContact CD2-CH2 4.44Å; F282-W287 HydrophobicContact CD2-CZ2 4.04Å; F282-W287 HydrophobicContact CG-CZ2 4.49Å; T283-W287 PolarHBondContact O-N 2.85Å; A284-W287 PolarHBondContact O-N 3.19Å; W287-A289 VanDerWaalsContact C-N 3.33Å; W287-A289 PolarHBondContact O-N 3.28Å; W287-K290 HydrophobicContact CE3-CD 4.21Å; W287-K290 HydrophobicContact CZ3-CD 4.14Å; W287-K290 WeakPolarHBondContact O-CB 3.5Å; W287-K290 PolarHBondContact O-N 3.5Å; W287-D291 WeakPolarHBondContact O-CB 3.4Å; W287-D291 PolarHBondContact O-N 3.04Å
288A96.6Very high95.3Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-63.8-37.2174.600000112.5W259 A284 D291 G292 S293 I296 I297W259-A288 HydrophobicContact CH2-CB 4Å; W259-A288 HydrophobicContact CZ2-CB 4.38Å; W259-A288 HydrophobicContact CZ3-CB 4.41Å; A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3.11Å; A288-D291 PolarHBondContact O-N 2.72Å; A288-G292 PolarHBondContact O-N 3.25Å; A288-S293 PolarHBondContact O-N 2.9Å; A288-I296 HydrophobicContact CB-CB 4.25Å; A288-I296 HydrophobicContact CB-CG2 3.58Å; A288-I297 HydrophobicContact CB-CG1 3.76Å
289A97.8Very high95.4Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-72.3-25.2175.500000114L285 H286 W287 I297 P323 A327 H332 V335 L339L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.39Å; L285-A289 PolarHBondContact O-N 3.22Å; H286-A289 PolarHBondContact O-N 2.93Å; W287-A289 VanDerWaalsContact C-N 3.33Å; W287-A289 PolarHBondContact O-N 3.28Å; A289-I297 HydrophobicContact CB-CD1 4.46Å; A289-P323 HydrophobicContact CB-CB 3.88Å; A289-P323 WeakPolarHBondContact CB-O 3.49Å; A289-A327 HydrophobicContact CB-CB 4.36Å; A289-H332 PolarHBondContact O-CD2 3.49Å; A289-V335 HydrophobicContact CB-CG1 4.08Å; A289-L339 HydrophobicContact CB-CD1 4.5Å
290K96.9Very high95.6Very high88 Ų8829.7 Ų29.738%0.38315%0.152SC..Hα-helixtrans-74-38.3169.6170.7170.7175.2-59.10112.2H286 W287 I326 H332H286-K290 WeakPolarHBondContact O-CB 3.49Å; H286-K290 PolarHBondContact O-N 2.87Å; W287-K290 HydrophobicContact CE3-CD 4.21Å; W287-K290 HydrophobicContact CZ3-CD 4.14Å; W287-K290 WeakPolarHBondContact O-CB 3.5Å; W287-K290 PolarHBondContact O-N 3.5Å; K290-I326 HydrophobicContact CB-CG2 3.58Å; K290-H332 PolarHBondContact O-CD2 2.77Å; K290-H332 PolarHBondContact O-NE2 2.66Å
291D95.4Very high95.7Very high75 Ų7528.7 Ų28.740%0.40114%0.144SC..Hα-helixtrans-72-32-179.4-167.962.2000112.5W259 W287 A288 S293 H332W259-D291 HydrophobicContact CZ2-CB 3.88Å; W259-D291 PolarHBondContact NE1-OD2 3.27Å; W287-D291 WeakPolarHBondContact O-CB 3.4Å; W287-D291 PolarHBondContact O-N 3.04Å; A288-D291 PolarHBondContact O-N 2.72Å; D291-S293 VanDerWaalsContact OD2-CB 3.31Å; D291-S293 WeakPolarHBondContact OD2-CB 3.46Å; D291-S293 PolarHBondContact OD2-OG 3.07Å; D291-H332 PolarHBondContact O-NE2 3.37Å
292G95.9Very high95.6Very high18 Ų1831.7 Ų31.719%0.18616%0.16CC..THydrogen-bonded Turntrans95.1-0.8-176.600000113.6A288 C294 H332 V335A288-G292 PolarHBondContact O-N 3.25Å; G292-C294 PolarHBondContact O-N 3Å; G292-H332 VanDerWaalsContact CA-CD2 3.45Å; G292-H332 WeakPolarHBondContact CA-CD2 3.44Å; G292-H332 VanDerWaalsContact CA-CG 3.48Å; G292-H332 WeakPolarHBondContact CA-NE2 3.5Å; G292-H332 PolarHBondContact N-NE2 3Å; G292-V335 VanDerWaalsContact C-CG2 3.48Å; G292-V335 WeakPolarHBondContact O-CG2 3.28Å
293S94.3Very high95.4Very high36 Ų3631.1 Ų31.125%0.25216%0.159SC..  trans-79.785.7-170.1-75.30000113.7A288 D291 E295 I296 I297A288-S293 PolarHBondContact O-N 2.9Å; D291-S293 VanDerWaalsContact OD2-CB 3.31Å; D291-S293 WeakPolarHBondContact OD2-CB 3.46Å; D291-S293 PolarHBondContact OD2-OG 3.07Å; S293-E295 PolarHBondContact O-N 2.8Å; S293-I296 PolarHBondContact O-N 2.71Å; S293-I297 PolarHBondContact O-N 3.33Å
294C94.9Very high95.3Very high20 Ų2031 Ų3114%0.13516%0.157CC..Hα-helixtrans-51.2-37173.4-66.30000113.4G292 I296 I297 H298 E334 V335G292-C294 PolarHBondContact O-N 3Å; C294-I296 VanDerWaalsContact C-N 3.32Å; C294-I296 PolarHBondContact O-N 3.01Å; C294-I297 PolarHBondContact O-N 2.84Å; C294-H298 PolarHBondContact O-N 3.11Å; C294-H298 PolarHBondContact O-ND1 3.2Å; C294-E334 VanDerWaalsContact SG-C 3.5Å; C294-E334 VanDerWaalsContact SG-CB 3.57Å; C294-V335 VanDerWaalsContact SG-CG2 3.55Å; C294-V335 PolarHBondContact SG-N 3.39Å; C294-V335 VanDerWaalsContact SG-N 3.44Å
295E94.4Very high95Very high118 Ų11834.3 Ų34.355%0.55118%0.181SC*.Hα-helixtrans-61-39178.7-166.6-167.8151.800112.6S293 H298 K299S293-E295 PolarHBondContact O-N 2.8Å; E295-H298 PolarHBondContact O-N 2.94Å; E295-K299 HydrophobicContact CG-CD 4.34Å; E295-K299 WeakPolarHBondContact O-CB 3.16Å; E295-K299 WeakPolarHBondContact O-CG 3.44Å; E295-K299 PolarHBondContact O-N 3.44Å; E295-K299 WeakPolarHBondContact OE1-CE 3.42Å; E295-K299 IonicContact OE1-NZ 2.79Å; E295-K299 PolarHBondContact OE1-NZ 3.45Å
296I93.8Very high94.7Very high24 Ų2441.8 Ų41.812%0.12321%0.213CC..Hα-helixtrans-71.7-39.2176.8-77.591.2000110.9W259 A288 S293 C294 H298 K299 L300W259-I296 HydrophobicContact CB-CD1 3.68Å; W259-I296 HydrophobicContact CB-CG1 3.61Å; W259-I296 HydrophobicContact CD2-CB 4.31Å; W259-I296 HydrophobicContact CD2-CD1 4.01Å; W259-I296 HydrophobicContact CD2-CG1 3.64Å; W259-I296 HydrophobicContact CD2-CG2 4.03Å; W259-I296 HydrophobicContact CE3-CB 4.3Å; W259-I296 HydrophobicContact CE3-CG1 3.91Å; W259-I296 HydrophobicContact CE3-CG2 3.54Å; W259-I296 HydrophobicContact CG-CD1 3.46Å; W259-I296 VanDerWaalsContact CG-CD1 3.46Å; W259-I296 HydrophobicContact CG-CG1 3.48Å; W259-I296 VanDerWaalsContact CG-CG1 3.48Å; W259-I296 HydrophobicContact CH2-CG2 4.41Å; W259-I296 HydrophobicContact CZ3-CG2 3.77Å; A288-I296 HydrophobicContact CB-CB 4.25Å; A288-I296 HydrophobicContact CB-CG2 3.58Å; S293-I296 PolarHBondContact O-N 2.71Å; C294-I296 VanDerWaalsContact C-N 3.32Å; C294-I296 PolarHBondContact O-N 3.01Å; I296-H298 VanDerWaalsContact C-N 3.29Å; I296-H298 PolarHBondContact O-N 3.45Å; I296-K299 PolarHBondContact O-N 2.93Å; I296-L300 WeakPolarHBondContact O-CB 3.38Å; I296-L300 PolarHBondContact O-N 2.81Å
297I95.9Very high94.3Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-59.1-45.2175.1-63.5-179.3000110.1L285 A288 A289 S293 C294 I301 V335 L339 Y343L285-I297 HydrophobicContact CD1-CB 4.29Å; L285-I297 HydrophobicContact CD1-CD1 4.47Å; L285-I297 HydrophobicContact CD1-CG1 3.97Å; L285-I297 HydrophobicContact CD1-CG2 3.82Å; A288-I297 HydrophobicContact CB-CG1 3.76Å; A289-I297 HydrophobicContact CB-CD1 4.46Å; S293-I297 PolarHBondContact O-N 3.33Å; C294-I297 PolarHBondContact O-N 2.84Å; I297-I301 HydrophobicContact CG2-CD1 4.05Å; I297-I301 WeakPolarHBondContact O-CG1 3.3Å; I297-I301 PolarHBondContact O-N 2.96Å; I297-V335 HydrophobicContact CD1-CB 4.26Å; I297-V335 HydrophobicContact CD1-CG1 3.46Å; I297-V335 VanDerWaalsContact CD1-CG1 3.46Å; I297-V335 HydrophobicContact CD1-CG2 3.94Å; I297-L339 HydrophobicContact CD1-CD2 4.44Å; I297-L339 HydrophobicContact CG2-CD2 4.09Å; I297-Y343 HydrophobicContact CG2-CD2 4.26Å; I297-Y343 HydrophobicContact CG2-CE2 4.09Å
298H94.6Very high93.8Very high50 Ų5049.5 Ų49.523%0.23127%0.265CS..Hα-helixtrans-57.6-57.2172.8-61156.5000111.2C294 E295 I296 L300 I301 D302 R342 Y343C294-H298 PolarHBondContact O-N 3.11Å; C294-H298 PolarHBondContact O-ND1 3.2Å; E295-H298 PolarHBondContact O-N 2.94Å; I296-H298 VanDerWaalsContact C-N 3.29Å; I296-H298 PolarHBondContact O-N 3.45Å; H298-L300 PolarHBondContact O-N 3.37Å; H298-I301 PolarHBondContact O-N 3.44Å; H298-D302 VanDerWaalsContact O-CB 3.28Å; H298-D302 WeakPolarHBondContact O-CB 3.3Å; H298-D302 PolarHBondContact O-N 3.16Å; H298-R342 PolarHBondContact CE1-NH1 3.24Å; H298-R342 PolarHBondContact NE2-NH1 3.33Å; H298-Y343 AromaticContact CD2-CE2 3.74Å; H298-Y343 AromaticContact CD2-CZ 3.92Å; H298-Y343 PolarHBondContact CD2-OH 3.34Å
299K93.6Very high93.5Very high83 Ų8350.5 Ų50.536%0.36127%0.271SS..Hα-helixtrans-57.6-43.7-178.1-77.7171.7168.7173.90113.3Y263 E295 I296 V303Y263-K299 HydrophobicContact CD2-CB 4.21Å; Y263-K299 HydrophobicContact CD2-CD 4.13Å; Y263-K299 HydrophobicContact CD2-CG 4.39Å; Y263-K299 HydrophobicContact CE2-CB 4.21Å; Y263-K299 HydrophobicContact CE2-CD 4.24Å; Y263-K299 HydrophobicContact CE2-CG 4.17Å; E295-K299 HydrophobicContact CG-CD 4.34Å; E295-K299 WeakPolarHBondContact O-CB 3.16Å; E295-K299 WeakPolarHBondContact O-CG 3.44Å; E295-K299 PolarHBondContact O-N 3.44Å; E295-K299 WeakPolarHBondContact OE1-CE 3.42Å; E295-K299 IonicContact OE1-NZ 2.79Å; E295-K299 PolarHBondContact OE1-NZ 3.45Å; I296-K299 PolarHBondContact O-N 2.93Å; K299-V303 WeakPolarHBondContact O-CB 3.29Å; K299-V303 WeakPolarHBondContact O-CG2 3.48Å; K299-V303 PolarHBondContact O-N 2.99Å
300L94.5Very high93Very high5 Ų554.9 Ų54.93%0.02630%0.301CS..Hα-helixtrans-63-45.2-177.7-179.563.9000111.5W250 L266 A273 A284 L285 I296 H298 S304W250-L300 HydrophobicContact CH2-CD1 4Å; W250-L300 HydrophobicContact CZ2-CD1 4.22Å; L266-L300 HydrophobicContact CD1-CD1 4.01Å; L266-L300 HydrophobicContact CD2-CD1 3.88Å; A273-L300 HydrophobicContact CB-CD1 3.76Å; A284-L300 HydrophobicContact CB-CD1 4.32Å; A284-L300 HydrophobicContact CB-CD2 3.88Å; L285-L300 HydrophobicContact CB-CD2 3.84Å; L285-L300 HydrophobicContact CD1-CD2 4.33Å; I296-L300 WeakPolarHBondContact O-CB 3.38Å; I296-L300 PolarHBondContact O-N 2.81Å; H298-L300 PolarHBondContact O-N 3.37Å; L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.43Å; L300-S304 PolarHBondContact O-N 2.87Å; L300-S304 PolarHBondContact O-OG 3.39Å
301I94.8Very high92.8Very high13 Ų1351.5 Ų51.57%0.06729%0.288CS..Hα-helixtrans-74.8-48.5-179.8-61.1172.7000109.9L285 I297 H298 V303 S304 S305 V311 V313 Y343L285-I301 HydrophobicContact CD1-CD1 4.4Å; I297-I301 HydrophobicContact CG2-CD1 4.05Å; I297-I301 WeakPolarHBondContact O-CG1 3.3Å; I297-I301 PolarHBondContact O-N 2.96Å; H298-I301 PolarHBondContact O-N 3.44Å; I301-V303 PolarHBondContact O-N 2.96Å; I301-S304 PolarHBondContact O-N 3.1Å; I301-S305 WeakPolarHBondContact O-CB 3.3Å; I301-S305 PolarHBondContact O-N 3.41Å; I301-S305 PolarHBondContact O-OG 3.35Å; I301-V311 HydrophobicContact CG1-CB 4.3Å; I301-V311 HydrophobicContact CG1-CG1 4.35Å; I301-V313 HydrophobicContact CD1-CG2 4.35Å; I301-Y343 HydrophobicContact CB-CD1 4.34Å; I301-Y343 HydrophobicContact CB-CE1 3.95Å; I301-Y343 HydrophobicContact CD1-CD1 3.54Å; I301-Y343 HydrophobicContact CD1-CD2 3.86Å; I301-Y343 HydrophobicContact CD1-CE1 3.8Å; I301-Y343 HydrophobicContact CD1-CE2 4.11Å; I301-Y343 HydrophobicContact CD1-CG 3.58Å; I301-Y343 HydrophobicContact CG1-CE1 4.47Å; I301-Y343 HydrophobicContact CG2-CD1 3.8Å; I301-Y343 HydrophobicContact CG2-CE1 3.63Å
302D93.5Very high92.8Very high63 Ų6352.5 Ų52.534%0.33729%0.293SS..Hα-helixtrans-56.7-49.8-179.5-96.448.3000113.1H298 K306H298-D302 VanDerWaalsContact O-CB 3.28Å; H298-D302 WeakPolarHBondContact O-CB 3.3Å; H298-D302 PolarHBondContact O-N 3.16Å; D302-K306 VanDerWaalsContact O-CB 3.28Å; D302-K306 WeakPolarHBondContact O-CB 3.34Å; D302-K306 WeakPolarHBondContact O-CD 3.4Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.04Å; D302-K306 WeakPolarHBondContact OD2-CE 3.44Å; D302-K306 IonicContact OD2-NZ 2.63Å; D302-K306 PolarHBondContact OD2-NZ 2.99Å
303V92.8Very high92.8Very high14 Ų1452.4 Ų52.49%0.08529%0.288CS..Hα-helixtrans-68.4-39.3-177.11720000111.1Y263 L266 L267 T270 K299 I301 R307Y263-V303 HydrophobicContact CE2-CG2 3.69Å; L266-V303 HydrophobicContact CD2-CB 3.8Å; L266-V303 HydrophobicContact CD2-CG1 3.91Å; L266-V303 HydrophobicContact CG-CB 4.37Å; L266-V303 HydrophobicContact CG-CG1 3.92Å; L267-V303 HydrophobicContact CD2-CG1 3.82Å; T270-V303 HydrophobicContact CG2-CG1 4.43Å; K299-V303 WeakPolarHBondContact O-CB 3.29Å; K299-V303 WeakPolarHBondContact O-CG2 3.48Å; K299-V303 PolarHBondContact O-N 2.99Å; I301-V303 PolarHBondContact O-N 2.96Å; V303-R307 WeakPolarHBondContact O-CB 3.36Å; V303-R307 PolarHBondContact O-N 3.27Å
304S92.9Very high92.9Very high0 Ų052.3 Ų52.30%029%0.285CS..Hα-helixtrans-64-50.2176.4-56.70000110.7L300 I301 K306 R307 G308 T309L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.43Å; L300-S304 PolarHBondContact O-N 2.87Å; L300-S304 PolarHBondContact O-OG 3.39Å; I301-S304 PolarHBondContact O-N 3.1Å; S304-K306 PolarHBondContact O-N 3.18Å; S304-R307 CarbonylContact O-C 3.41Å; S304-R307 PolarHBondContact O-N 3.42Å; S304-R307 VanDerWaalsContact O-N 3.08Å; S304-G308 PolarHBondContact O-N 3.26Å; S304-G308 VanDerWaalsContact O-N 3.14Å; S304-T309 CarbonylContact C-O 3.54Å; S304-T309 VanDerWaalsContact CB-O 3.25Å; S304-T309 WeakPolarHBondContact CB-O 3.36Å; S304-T309 PolarHBondContact O-N 3.44Å; S304-T309 VanDerWaalsContact O-O 3.13Å
305S91.2Very high93Very high71 Ų7152.1 Ų52.150%0.49728%0.284SS..Hα-helixtrans-62.7-42.4179.6-66.80000112.8I301 R307 G308 T309I301-S305 WeakPolarHBondContact O-CB 3.3Å; I301-S305 PolarHBondContact O-N 3.41Å; I301-S305 PolarHBondContact O-OG 3.35Å; S305-R307 PolarHBondContact O-N 2.91Å; S305-R307 VanDerWaalsContact O-N 3.12Å; S305-G308 PolarHBondContact O-N 3.32Å; S305-T309 PolarHBondContact N-O 2.83Å
306K90.8Very high93.1Very high158 Ų15849.9 Ų49.969%0.68727%0.273SS*.Hα-helixtrans-63.4-15.8175.7-72.4165-168.6166.40113.5D302 S304D302-K306 VanDerWaalsContact O-CB 3.28Å; D302-K306 WeakPolarHBondContact O-CB 3.34Å; D302-K306 WeakPolarHBondContact O-CD 3.4Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.04Å; D302-K306 WeakPolarHBondContact OD2-CE 3.44Å; D302-K306 IonicContact OD2-NZ 2.63Å; D302-K306 PolarHBondContact OD2-NZ 2.99Å; S304-K306 PolarHBondContact O-N 3.18Å
307R89.3Confident93.2Very high131 Ų13149.1 Ų49.149%0.49427%0.27SS..THydrogen-bonded Turntrans-112.112.9176.9-69.3175.4166.4-135.411.3113.3L267 T270 V303 S304 S305 T309L267-R307 VanDerWaalsContact O-CZ 3.25Å; L267-R307 PolarHBondContact O-NH1 3.47Å; L267-R307 PolarHBondContact O-NH2 3.44Å; T270-R307 HydrophobicContact CG2-CB 3.94Å; T270-R307 HydrophobicContact CG2-CG 4.35Å; V303-R307 WeakPolarHBondContact O-CB 3.36Å; V303-R307 PolarHBondContact O-N 3.27Å; S304-R307 CarbonylContact O-C 3.41Å; S304-R307 PolarHBondContact O-N 3.42Å; S304-R307 VanDerWaalsContact O-N 3.08Å; S305-R307 PolarHBondContact O-N 2.91Å; S305-R307 VanDerWaalsContact O-N 3.12Å; R307-T309 PolarHBondContact O-N 3.37Å
308G86.4Confident93.2Very high73 Ų7354.2 Ų54.275%0.75329%0.293SS*.THydrogen-bonded Turntrans81.72.6175.200000116S304 S305S304-G308 PolarHBondContact O-N 3.26Å; S304-G308 VanDerWaalsContact O-N 3.14Å; S305-G308 PolarHBondContact O-N 3.32Å
309T90.3Very high93.2Very high21 Ų2153.2 Ų53.213%0.12930%0.296CS..PPolyproline II helixtrans-92.2118.7176.4-64.50000110.3T270 S304 S305 R307T270-T309 PolarHBondContact OG1-OG1 3.06Å; S304-T309 CarbonylContact C-O 3.54Å; S304-T309 VanDerWaalsContact CB-O 3.25Å; S304-T309 WeakPolarHBondContact CB-O 3.36Å; S304-T309 PolarHBondContact O-N 3.44Å; S304-T309 VanDerWaalsContact O-O 3.13Å; S305-T309 PolarHBondContact N-O 2.83Å; R307-T309 PolarHBondContact O-N 3.37Å
310C86.3Confident93.4Very high91 Ų9149.3 Ų49.362%0.61528%0.28SS*.PPolyproline II helixtrans-78.4131.9173.857.10000110.9Q274Q274-C310 PolarHBondContact NE2-O 3.21Å
311V93.3Very high93.6Very high18 Ų1851.7 Ų51.711%0.10929%0.289CS..PPolyproline II helixtrans-98.1119.9172.4-178.70000108.1A273 L285 I301 V313A273-V311 HydrophobicContact CB-CG2 4.02Å; L285-V311 HydrophobicContact CD2-CG1 3.99Å; I301-V311 HydrophobicContact CG1-CB 4.3Å; I301-V311 HydrophobicContact CG1-CG1 4.35Å; V311-V313 PolarHBondContact O-N 2.6Å; V311-V313 VanDerWaalsContact O-N 3.08Å
312N94.6Very high93.7Very high95 Ų9551.1 Ų51.151%0.50829%0.286SS..  trans-77.198.9176.4-1773.7000110.5N314 S315N312-N314 PolarHBondContact O-N 2.8Å; N312-N314 WeakPolarHBondContact OD1-CA 3.49Å; N312-N314 PolarHBondContact OD1-N 3Å; N312-S315 WeakPolarHBondContact O-CB 3.28Å; N312-S315 PolarHBondContact O-N 3.31Å; N312-S315 PolarHBondContact OD1-N 3.03Å
313V96.4Very high94Very high16 Ų1648.1 Ų48.110%0.09727%0.27CS..THydrogen-bonded Turntrans-57.3-28.8176.6-172.20000112.3I301 V311 P323 L339 A345I301-V313 HydrophobicContact CD1-CG2 4.35Å; V311-V313 PolarHBondContact O-N 2.6Å; V311-V313 VanDerWaalsContact O-N 3.08Å; V313-P323 WeakPolarHBondContact O-CD 3.21Å; V313-L339 HydrophobicContact CG1-CD2 4Å; V313-A345 HydrophobicContact CG1-CB 3.82Å
314N96.7Very high94.2Very high34 Ų3447.5 Ų47.518%0.18227%0.266CS..THydrogen-bonded Turntrans-101.717.8179.5-59.6-47.2000112.7N312 A345 S346N312-N314 PolarHBondContact O-N 2.8Å; N312-N314 WeakPolarHBondContact OD1-CA 3.49Å; N312-N314 PolarHBondContact OD1-N 3Å; N314-A345 WeakPolarHBondContact OD1-CA 3.41Å; N314-S346 PolarHBondContact OD1-N 3.26Å
315S96.3Very high94.5Very high17 Ų1747.6 Ų47.612%0.11927%0.267CS..  trans-57.5139.5171.9179.60000110.2H286 N312 P323H286-S315 PolarHBondContact CE1-O 2.89Å; H286-S315 VanDerWaalsContact CE1-O 3.22Å; H286-S315 PolarHBondContact NE2-O 3.14Å; N312-S315 WeakPolarHBondContact O-CB 3.28Å; N312-S315 PolarHBondContact O-N 3.31Å; N312-S315 PolarHBondContact OD1-N 3.03Å; S315-P323 WeakPolarHBondContact O-CD 3.49Å
316K96.8Very high94.8Very high71 Ų7144.4 Ų44.431%0.30924%0.244SC..  trans-105.1134.1-179.6-65.9-174.5178.7-173.90112.3K276 G320 Y321 T322 E349 R350K276-K316 WeakPolarHBondContact CE-O 3.2Å; K276-K316 PolarHBondContact NZ-O 2.9Å; K316-G320 VanDerWaalsContact CD-O 3.3Å; K316-G320 WeakPolarHBondContact CD-O 3.34Å; K316-G320 VanDerWaalsContact CG-O 3.29Å; K316-G320 WeakPolarHBondContact CG-O 3.4Å; K316-Y321 CarbonylContact C-O 3.57Å; K316-Y321 WeakPolarHBondContact CA-O 3.4Å; K316-T322 HydrophobicContact CG-CG2 3.79Å; K316-E349 WeakPolarHBondContact CE-OE2 3.5Å; K316-E349 IonicContact NZ-OE2 2.65Å; K316-E349 PolarHBondContact NZ-OE2 3.41Å; K316-R350 PolarHBondContact NZ-O 3.15Å
317A96.8Very high95.2Very high7 Ų736.9 Ų36.96%0.05821%0.211CC..  trans-64.9173.6164.700000111.8S280 F282 H286 G319 G320 Y321S280-A317 WeakPolarHBondContact O-CB 3.49Å; F282-A317 HydrophobicContact CD1-CB 3.58Å; F282-A317 HydrophobicContact CE1-CB 3.7Å; H286-A317 PolarHBondContact NE2-N 2.91Å; A317-G319 PolarHBondContact O-N 3.48Å; A317-G320 PolarHBondContact O-N 3.05Å; A317-Y321 WeakPolarHBondContact CB-O 3.36Å; A317-Y321 PolarHBondContact N-O 2.97Å
318H95.8Very high95.6Very high108 Ų10830.7 Ų30.750%0.519%0.188SC..THydrogen-bonded Turntrans-58.8-35.9178.7-64.5-19000112.4F278 S280 G281 G320 N352F278-H318 PolarHBondContact O-NE2 3.21Å; S280-H318 VanDerWaalsContact C-CD2 3.43Å; S280-H318 PolarHBondContact O-N 3.06Å; G281-H318 VanDerWaalsContact CA-CE1 3.5Å; G281-H318 WeakPolarHBondContact CA-CE1 3.31Å; G281-H318 PolarHBondContact N-CD2 2.89Å; G281-H318 PolarHBondContact N-NE2 3.28Å; H318-G320 PolarHBondContact O-N 3.44Å; H318-N352 PolarHBondContact O-ND2 3.34Å
319G94.9Very high96.1Very high28 Ų2831.2 Ų31.229%0.28917%0.172SC..THydrogen-bonded Turntrans-76.15.9173.700000115.4A317 Y321 N352A317-G319 PolarHBondContact O-N 3.48Å; G319-Y321 PolarHBondContact O-N 3.39Å; G319-N352 VanDerWaalsContact C-ND2 3.25Å; G319-N352 VanDerWaalsContact O-CG 3.3Å; G319-N352 PolarHBondContact O-N 3.35Å
320G97.3Very high96.4Very high2 Ų234.7 Ų34.72%0.02119%0.187CC..SBendtrans80.5-11.8-176.400000114.8K316 A317 H318 N352K316-G320 VanDerWaalsContact CD-O 3.3Å; K316-G320 WeakPolarHBondContact CD-O 3.34Å; K316-G320 VanDerWaalsContact CG-O 3.29Å; K316-G320 WeakPolarHBondContact CG-O 3.4Å; A317-G320 PolarHBondContact O-N 3.05Å; H318-G320 PolarHBondContact O-N 3.44Å; G320-N352 VanDerWaalsContact CA-OD1 3.28Å; G320-N352 WeakPolarHBondContact CA-OD1 3.5Å; G320-N352 PolarHBondContact N-OD1 3.04Å
321Y98.3Very high96.9Very high55 Ų5532.4 Ų32.422%0.21618%0.178CC..  trans-57.5135.4177.6-57.2-59.2000112.3H286 K316 A317 G319 H325 I326 M329 D351 Y360H286-Y321 PolarHBondContact NE2-O 2.79Å; K316-Y321 CarbonylContact C-O 3.57Å; K316-Y321 WeakPolarHBondContact CA-O 3.4Å; A317-Y321 WeakPolarHBondContact CB-O 3.36Å; A317-Y321 PolarHBondContact N-O 2.97Å; G319-Y321 PolarHBondContact O-N 3.39Å; Y321-H325 HydrophobicContact CD1-CB 3.95Å; Y321-I326 HydrophobicContact CD2-CD1 4.45Å; Y321-I326 HydrophobicContact CG-CD1 4.17Å; Y321-M329 HydrophobicContact CD1-SD 4.42Å; Y321-M329 HydrophobicContact CE1-SD 4.35Å; Y321-D351 HydrophobicContact CD1-CB 3.73Å; Y321-D351 HydrophobicContact CE1-CB 3.88Å; Y321-D351 WeakPolarHBondContact CE1-OD2 3.34Å; Y321-Y360 HydrophobicContact CE1-CE2 4.27Å; Y321-Y360 AromaticContact CE1-CZ 3.85Å; Y321-Y360 WeakPolarHBondContact CE1-OH 3.22Å
322T98.3Very high97.1Very high0 Ų034.1 Ų34.10%019%0.185CC..  trans-94.9167165.365.80000110.4K316 L324 H325 I326 E349K316-T322 HydrophobicContact CG-CG2 3.79Å; T322-L324 PolarHBondContact O-N 3.12Å; T322-H325 PolarHBondContact N-ND1 2.88Å; T322-H325 WeakPolarHBondContact O-CB 3.31Å; T322-H325 PolarHBondContact O-N 3.43Å; T322-H325 PolarHBondContact OG1-ND1 3.47Å; T322-I326 PolarHBondContact O-N 3.44Å; T322-E349 HydrophobicContact CG2-CB 4.12Å; T322-E349 HydrophobicContact CG2-CG 4.04Å
323P98.3Very high97.2Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-51.3-32.1172.9-28.136000113.6L285 A289 V313 S315 I326 A327 L339L285-P323 HydrophobicContact CB-CG 4.26Å; L285-P323 HydrophobicContact CD2-CB 4.47Å; L285-P323 HydrophobicContact CD2-CG 3.93Å; L285-P323 HydrophobicContact CG-CB 4.02Å; L285-P323 HydrophobicContact CG-CG 3.74Å; A289-P323 HydrophobicContact CB-CB 3.88Å; A289-P323 WeakPolarHBondContact CB-O 3.49Å; V313-P323 WeakPolarHBondContact O-CD 3.21Å; S315-P323 WeakPolarHBondContact O-CD 3.49Å; P323-I326 PolarHBondContact O-N 3.1Å; P323-A327 WeakPolarHBondContact O-CB 3.49Å; P323-A327 PolarHBondContact O-N 3.03Å; P323-L339 HydrophobicContact CB-CD1 4.11Å
324L98.4Very high97.2Very high2 Ų238.1 Ų38.11%0.0121%0.205CC..Hα-helixtrans-68.1-34.1176.4-168.965.4000113.1T322 A328 M336 L339 V340 A345 V347 A357 L373T322-L324 PolarHBondContact O-N 3.12Å; L324-A328 WeakPolarHBondContact O-CB 3.45Å; L324-A328 PolarHBondContact O-N 3.47Å; L324-A328 VanDerWaalsContact O-N 3.15Å; L324-M336 HydrophobicContact CD1-CB 4.13Å; L324-M336 HydrophobicContact CD1-CG 4.06Å; L324-L339 HydrophobicContact CB-CD1 4.4Å; L324-L339 HydrophobicContact CD1-CB 4.08Å; L324-L339 HydrophobicContact CD1-CD1 4.2Å; L324-V340 HydrophobicContact CD1-CG2 3.72Å; L324-V340 HydrophobicContact CD2-CG2 3.81Å; L324-V340 HydrophobicContact CG-CG2 4.45Å; L324-A345 HydrophobicContact CD2-CB 4.1Å; L324-V347 HydrophobicContact CD2-CG2 4.24Å; L324-A357 HydrophobicContact CB-CB 4.48Å; L324-A357 HydrophobicContact CD2-CB 4.31Å; L324-A357 HydrophobicContact CG-CB 3.93Å; L324-L373 HydrophobicContact CD1-CD2 4.11Å; L324-L373 HydrophobicContact CD2-CD2 3.96Å; L324-L373 HydrophobicContact CG-CD2 4.21Å
325H98.4Very high97.3Very high2 Ų236.5 Ų36.51%0.00920%0.196CC..Hα-helixtrans-67.7-44.3172.6-67.770.5000110.4Y321 T322 A327 A328 M329 E349 D351 K355 A357Y321-H325 HydrophobicContact CD1-CB 3.95Å; T322-H325 PolarHBondContact N-ND1 2.88Å; T322-H325 WeakPolarHBondContact O-CB 3.31Å; T322-H325 PolarHBondContact O-N 3.43Å; T322-H325 PolarHBondContact OG1-ND1 3.47Å; H325-A327 PolarHBondContact O-N 3.03Å; H325-A328 PolarHBondContact O-N 3.12Å; H325-M329 VanDerWaalsContact O-CG 3.29Å; H325-M329 WeakPolarHBondContact O-CG 3.33Å; H325-M329 PolarHBondContact O-N 3.1Å; H325-E349 PolarHBondContact CE1-O 2.93Å; H325-D351 IonicContact CD2-OD2 3.36Å; H325-K355 PolarHBondContact NE2-O 3.18Å; H325-A357 PolarHBondContact CD2-N 3.08Å; H325-A357 VanDerWaalsContact CD2-N 3.33Å; H325-A357 PolarHBondContact NE2-N 3.14Å; H325-A357 VanDerWaalsContact NE2-N 3.14Å
326I98.1Very high97.4Very high4 Ų435.7 Ų35.72%0.02119%0.19CC..Hα-helixtrans-62.3-43.4178.9-56.9-52.5000111.3F282 K290 Y321 T322 P323 A328 M329 H330F282-I326 HydrophobicContact CE1-CD1 4.09Å; F282-I326 HydrophobicContact CE2-CD1 4.34Å; F282-I326 HydrophobicContact CE2-CG1 4.47Å; F282-I326 HydrophobicContact CZ-CD1 3.56Å; F282-I326 HydrophobicContact CZ-CG1 4.06Å; K290-I326 HydrophobicContact CB-CG2 3.58Å; Y321-I326 HydrophobicContact CD2-CD1 4.45Å; Y321-I326 HydrophobicContact CG-CD1 4.17Å; T322-I326 PolarHBondContact O-N 3.44Å; P323-I326 PolarHBondContact O-N 3.1Å; I326-A328 VanDerWaalsContact C-N 3.33Å; I326-A328 PolarHBondContact O-N 3.16Å; I326-M329 HydrophobicContact CD1-SD 4.06Å; I326-M329 PolarHBondContact O-N 3.4Å; I326-H330 PolarHBondContact O-CD2 3.34Å; I326-H330 PolarHBondContact O-N 2.83Å; I326-H330 VanDerWaalsContact O-N 3.15Å
327A98.1Very high97.4Very high0 Ų034.7 Ų34.70%019%0.19CC..Hα-helixtrans-61.1-40.2174.600000112.6A289 P323 H325 H330 G331 H332 V335 M336 L339A289-A327 HydrophobicContact CB-CB 4.36Å; P323-A327 WeakPolarHBondContact O-CB 3.49Å; P323-A327 PolarHBondContact O-N 3.03Å; H325-A327 PolarHBondContact O-N 3.03Å; A327-H330 PolarHBondContact O-N 3.26Å; A327-G331 PolarHBondContact O-N 3.27Å; A327-H332 HydrophobicContact CB-CB 4.46Å; A327-H332 PolarHBondContact O-N 2.92Å; A327-V335 HydrophobicContact CB-CB 4.13Å; A327-V335 HydrophobicContact CB-CG1 3.52Å; A327-M336 HydrophobicContact CB-CG 3.65Å; A327-L339 HydrophobicContact CB-CD1 4.43Å
328A97.8Very high97.4Very high1 Ų134.6 Ų34.61%0.00819%0.189CC..Hα-helixtrans-65.7-45.4175.900000112.5L324 H325 I326 H330 G331 M336 A357 L361L324-A328 WeakPolarHBondContact O-CB 3.45Å; L324-A328 PolarHBondContact O-N 3.47Å; L324-A328 VanDerWaalsContact O-N 3.15Å; H325-A328 PolarHBondContact O-N 3.12Å; I326-A328 VanDerWaalsContact C-N 3.33Å; I326-A328 PolarHBondContact O-N 3.16Å; A328-H330 PolarHBondContact O-N 3.25Å; A328-G331 PolarHBondContact O-N 3.28Å; A328-M336 WeakPolarHBondContact CA-SD 3.3Å; A328-M336 HydrophobicContact CB-SD 3.63Å; A328-A357 HydrophobicContact CB-CB 4.2Å; A328-A357 VanDerWaalsContact CB-O 3.23Å; A328-A357 WeakPolarHBondContact CB-O 3.23Å; A328-L361 HydrophobicContact CB-CD2 4.12Å
329M97.1Very high97.5Very high84 Ų8429.5 Ų29.541%0.41417%0.166SC..Hα-helixtrans-56.5-35176.1-72.9170.869.800113.1Y321 H325 I326 Y360Y321-M329 HydrophobicContact CD1-SD 4.42Å; Y321-M329 HydrophobicContact CE1-SD 4.35Å; H325-M329 VanDerWaalsContact O-CG 3.29Å; H325-M329 WeakPolarHBondContact O-CG 3.33Å; H325-M329 PolarHBondContact O-N 3.1Å; I326-M329 HydrophobicContact CD1-SD 4.06Å; I326-M329 PolarHBondContact O-N 3.4Å; M329-Y360 HydrophobicContact CG-CD1 3.36Å; M329-Y360 HydrophobicContact CG-CE1 4.04Å; M329-Y360 HydrophobicContact CG-CG 3.67Å; M329-Y360 HydrophobicContact SD-CD1 4.17Å; M329-Y360 HydrophobicContact SD-CE1 4.26Å
330H96.8Very high97.6Very high94 Ų9429.3 Ų29.344%0.43516%0.159SC..THydrogen-bonded Turntrans-95.20.5178.6-73.3-75.3000114I326 A327 A328 H332I326-H330 PolarHBondContact O-CD2 3.34Å; I326-H330 PolarHBondContact O-N 2.83Å; I326-H330 VanDerWaalsContact O-N 3.15Å; A327-H330 PolarHBondContact O-N 3.26Å; A328-H330 PolarHBondContact O-N 3.25Å; H330-H332 VanDerWaalsContact C-N 3.29Å; H330-H332 WeakPolarHBondContact CB-CD2 3.35Å; H330-H332 PolarHBondContact O-N 3.42Å
331G96.3Very high97.5Very high42 Ų4235.7 Ų35.743%0.43319%0.188SC..THydrogen-bonded Turntrans75.68.5177.400000115.7A327 A328 S333A327-G331 PolarHBondContact O-N 3.27Å; A328-G331 PolarHBondContact O-N 3.28Å; G331-S333 VanDerWaalsContact C-N 3.33Å; G331-S333 PolarHBondContact O-N 3.27Å; G331-S333 PolarHBondContact O-OG 3.12Å
332H97.6Very high97.4Very high54 Ų5441 Ų4125%0.2521%0.208CC..  trans-71.880.9-171.6-68.4-49000112.4A289 K290 D291 G292 A327 H330 E334 V335 M336A289-H332 PolarHBondContact O-CD2 3.49Å; K290-H332 PolarHBondContact O-CD2 2.77Å; K290-H332 PolarHBondContact O-NE2 2.66Å; D291-H332 PolarHBondContact O-NE2 3.37Å; G292-H332 VanDerWaalsContact CA-CD2 3.45Å; G292-H332 WeakPolarHBondContact CA-CD2 3.44Å; G292-H332 VanDerWaalsContact CA-CG 3.48Å; G292-H332 WeakPolarHBondContact CA-NE2 3.5Å; G292-H332 PolarHBondContact N-NE2 3Å; A327-H332 HydrophobicContact CB-CB 4.46Å; A327-H332 PolarHBondContact O-N 2.92Å; H330-H332 VanDerWaalsContact C-N 3.29Å; H330-H332 WeakPolarHBondContact CB-CD2 3.35Å; H330-H332 PolarHBondContact O-N 3.42Å; H332-E334 PolarHBondContact O-N 3.24Å; H332-V335 HydrophobicContact CB-CB 3.98Å; H332-V335 HydrophobicContact CB-CG2 4.11Å; H332-V335 WeakPolarHBondContact O-CB 3.46Å; H332-V335 PolarHBondContact O-N 3.49Å; H332-M336 PolarHBondContact O-N 3.23Å
333S96.4Very high97.3Very high46 Ų4643.4 Ų43.432%0.32222%0.217SC..Hα-helixtrans-62.9-42.1-170.5-65.90000113.2G331 V335 M336 V337G331-S333 VanDerWaalsContact C-N 3.33Å; G331-S333 PolarHBondContact O-N 3.27Å; G331-S333 PolarHBondContact O-OG 3.12Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3Å; S333-M336 PolarHBondContact O-N 3.42Å; S333-V337 WeakPolarHBondContact O-CG2 3.46Å; S333-V337 PolarHBondContact O-N 3.01Å
334E97Very high97.1Very high150 Ų15046 Ų4670%0.70124%0.243SC*.Hα-helixtrans-62-40.2176.1-60.8-179.3-171.900112.2C294 H332 V337 A338C294-E334 VanDerWaalsContact SG-C 3.5Å; C294-E334 VanDerWaalsContact SG-CB 3.57Å; H332-E334 PolarHBondContact O-N 3.24Å; E334-V337 PolarHBondContact O-N 3.28Å; E334-A338 WeakPolarHBondContact O-CB 3.25Å; E334-A338 PolarHBondContact O-N 3.45Å
335V98.1Very high97Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-64.3-43.6176.1168.60000110.8A289 G292 C294 I297 A327 H332 S333 V337 A338 L339A289-V335 HydrophobicContact CB-CG1 4.08Å; G292-V335 VanDerWaalsContact C-CG2 3.48Å; G292-V335 WeakPolarHBondContact O-CG2 3.28Å; C294-V335 VanDerWaalsContact SG-CG2 3.55Å; C294-V335 PolarHBondContact SG-N 3.39Å; C294-V335 VanDerWaalsContact SG-N 3.44Å; I297-V335 HydrophobicContact CD1-CB 4.26Å; I297-V335 HydrophobicContact CD1-CG1 3.46Å; I297-V335 VanDerWaalsContact CD1-CG1 3.46Å; I297-V335 HydrophobicContact CD1-CG2 3.94Å; A327-V335 HydrophobicContact CB-CB 4.13Å; A327-V335 HydrophobicContact CB-CG1 3.52Å; H332-V335 HydrophobicContact CB-CB 3.98Å; H332-V335 HydrophobicContact CB-CG2 4.11Å; H332-V335 WeakPolarHBondContact O-CB 3.46Å; H332-V335 PolarHBondContact O-N 3.49Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3Å; V335-V337 VanDerWaalsContact C-N 3.33Å; V335-V337 PolarHBondContact O-N 3.27Å; V335-A338 PolarHBondContact O-N 3.47Å; V335-L339 HydrophobicContact CG1-CD1 3.6Å; V335-L339 HydrophobicContact CG1-CG 4.02Å; V335-L339 WeakPolarHBondContact O-CB 3.13Å; V335-L339 VanDerWaalsContact O-CG 3.27Å; V335-L339 WeakPolarHBondContact O-CG 3.39Å; V335-L339 PolarHBondContact O-N 3.11Å
336M98Very high96.9Very high0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-61.9-42176.9-68.4-173.9-8200111.5L324 A327 A328 H332 S333 V340 L361 V369 L373L324-M336 HydrophobicContact CD1-CB 4.13Å; L324-M336 HydrophobicContact CD1-CG 4.06Å; A327-M336 HydrophobicContact CB-CG 3.65Å; A328-M336 WeakPolarHBondContact CA-SD 3.3Å; A328-M336 HydrophobicContact CB-SD 3.63Å; H332-M336 PolarHBondContact O-N 3.23Å; S333-M336 PolarHBondContact O-N 3.42Å; M336-V340 WeakPolarHBondContact O-CG2 3.48Å; M336-V340 PolarHBondContact O-N 2.87Å; M336-V340 VanDerWaalsContact O-N 3.1Å; M336-L361 HydrophobicContact CE-CD2 3.65Å; M336-L361 HydrophobicContact SD-CD2 3.7Å; M336-V369 HydrophobicContact CE-CG1 3.7Å; M336-V369 HydrophobicContact SD-CG1 4.18Å; M336-L373 HydrophobicContact SD-CD1 3.8Å
337V97.1Very high96.9Very high50 Ų5048.7 Ų48.730%0.30326%0.262SS..Hα-helixtrans-60.4-49.7173.6172.20000111.1S333 E334 V335 Q341 L372S333-V337 WeakPolarHBondContact O-CG2 3.46Å; S333-V337 PolarHBondContact O-N 3.01Å; E334-V337 PolarHBondContact O-N 3.28Å; V335-V337 VanDerWaalsContact C-N 3.33Å; V335-V337 PolarHBondContact O-N 3.27Å; V337-Q341 HydrophobicContact CG1-CG 4.45Å; V337-Q341 VanDerWaalsContact O-CB 3.3Å; V337-Q341 WeakPolarHBondContact O-CB 3.46Å; V337-Q341 WeakPolarHBondContact O-CG 3.46Å; V337-Q341 PolarHBondContact O-N 2.94Å; V337-L372 HydrophobicContact CB-CD2 4.39Å; V337-L372 HydrophobicContact CG2-CD2 3.92Å
338A97.4Very high96.8Very high5 Ų552.4 Ų52.44%0.04129%0.288CS..Hα-helixtrans-62-49.2179.500000112.4E334 V335 V340 R342 Y343E334-A338 WeakPolarHBondContact O-CB 3.25Å; E334-A338 PolarHBondContact O-N 3.45Å; V335-A338 PolarHBondContact O-N 3.47Å; A338-V340 PolarHBondContact O-N 2.92Å; A338-R342 WeakPolarHBondContact O-CA 3.28Å; A338-R342 VanDerWaalsContact O-CB 3.27Å; A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 3.39Å; A338-Y343 WeakPolarHBondContact O-CD2 3.19Å; A338-Y343 PolarHBondContact O-N 3.11Å
339L97.3Very high96.7Very high1 Ų154.9 Ų54.91%0.00530%0.3CS..Hα-helixtrans-59.4-45.6-179.7-74174.3000112.1L285 A289 I297 V313 P323 L324 A327 V335 Y343 G344 A345L285-L339 HydrophobicContact CD1-CD2 4.25Å; A289-L339 HydrophobicContact CB-CD1 4.5Å; I297-L339 HydrophobicContact CD1-CD2 4.44Å; I297-L339 HydrophobicContact CG2-CD2 4.09Å; V313-L339 HydrophobicContact CG1-CD2 4Å; P323-L339 HydrophobicContact CB-CD1 4.11Å; L324-L339 HydrophobicContact CB-CD1 4.4Å; L324-L339 HydrophobicContact CD1-CB 4.08Å; L324-L339 HydrophobicContact CD1-CD1 4.2Å; A327-L339 HydrophobicContact CB-CD1 4.43Å; V335-L339 HydrophobicContact CG1-CD1 3.6Å; V335-L339 HydrophobicContact CG1-CG 4.02Å; V335-L339 WeakPolarHBondContact O-CB 3.13Å; V335-L339 VanDerWaalsContact O-CG 3.27Å; V335-L339 WeakPolarHBondContact O-CG 3.39Å; V335-L339 PolarHBondContact O-N 3.11Å; L339-Y343 CarbonylContact O-C 3.54Å; L339-Y343 PolarHBondContact O-N 3.12Å; L339-G344 PolarHBondContact O-N 3.43Å; L339-A345 HydrophobicContact CB-CB 3.99Å; L339-A345 VanDerWaalsContact O-CB 3.24Å; L339-A345 WeakPolarHBondContact O-CB 3.41Å; L339-A345 PolarHBondContact O-N 2.81Å
340V97.4Very high96.7Very high24 Ų2458.1 Ų58.115%0.14531%0.307CS..Hα-helixtrans-75.3-53.8-179178.70000111.3L324 M336 A338 G344 A345 V347 L372 L373L324-V340 HydrophobicContact CD1-CG2 3.72Å; L324-V340 HydrophobicContact CD2-CG2 3.81Å; L324-V340 HydrophobicContact CG-CG2 4.45Å; M336-V340 WeakPolarHBondContact O-CG2 3.48Å; M336-V340 PolarHBondContact O-N 2.87Å; M336-V340 VanDerWaalsContact O-N 3.1Å; A338-V340 PolarHBondContact O-N 2.92Å; V340-G344 WeakPolarHBondContact O-CA 3.21Å; V340-G344 PolarHBondContact O-N 3.42Å; V340-A345 HydrophobicContact CG2-CB 4.33Å; V340-V347 HydrophobicContact CB-CG2 4.48Å; V340-V347 HydrophobicContact CG1-CG2 3.84Å; V340-V347 HydrophobicContact CG2-CG2 3.72Å; V340-L372 HydrophobicContact CB-CD1 4.19Å; V340-L372 HydrophobicContact CB-CD2 4.22Å; V340-L372 HydrophobicContact CB-CG 4.22Å; V340-L372 HydrophobicContact CG1-CD1 3.7Å; V340-L372 HydrophobicContact CG1-CG 4.08Å; V340-L372 HydrophobicContact CG2-CG 4.47Å; V340-L373 HydrophobicContact CG2-CD2 4.1Å
341Q96.3Very high96.7Very high136 Ų13654 Ų5464%0.63629%0.289SS*.Hα-helixtrans-80.1-35.8-169-61.3-175.7-9.300113.9V337 L372V337-Q341 HydrophobicContact CG1-CG 4.45Å; V337-Q341 VanDerWaalsContact O-CB 3.3Å; V337-Q341 WeakPolarHBondContact O-CB 3.46Å; V337-Q341 WeakPolarHBondContact O-CG 3.46Å; V337-Q341 PolarHBondContact O-N 2.94Å; Q341-L372 HydrophobicContact CG-CD1 3.95Å
342R95.6Very high96.8Very high166 Ų16657.7 Ų57.763%0.62630%0.298SS*.THydrogen-bonded Turntrans-94-32-177.4-55.5-179.5175.3-157.6-7.6112.7H298 A338H298-R342 PolarHBondContact CE1-NH1 3.24Å; H298-R342 PolarHBondContact NE2-NH1 3.33Å; A338-R342 WeakPolarHBondContact O-CA 3.28Å; A338-R342 VanDerWaalsContact O-CB 3.27Å; A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 3.39Å
343Y95.2Very high96.7Very high50 Ų5060.1 Ų60.120%0.19631%0.313CS..THydrogen-bonded Turntrans-118.82.9-170.6-59.1-64.8000114.9I297 H298 I301 A338 L339 A345I297-Y343 HydrophobicContact CG2-CD2 4.26Å; I297-Y343 HydrophobicContact CG2-CE2 4.09Å; H298-Y343 AromaticContact CD2-CE2 3.74Å; H298-Y343 AromaticContact CD2-CZ 3.92Å; H298-Y343 PolarHBondContact CD2-OH 3.34Å; I301-Y343 HydrophobicContact CB-CD1 4.34Å; I301-Y343 HydrophobicContact CB-CE1 3.95Å; I301-Y343 HydrophobicContact CD1-CD1 3.54Å; I301-Y343 HydrophobicContact CD1-CD2 3.86Å; I301-Y343 HydrophobicContact CD1-CE1 3.8Å; I301-Y343 HydrophobicContact CD1-CE2 4.11Å; I301-Y343 HydrophobicContact CD1-CG 3.58Å; I301-Y343 HydrophobicContact CG1-CE1 4.47Å; I301-Y343 HydrophobicContact CG2-CD1 3.8Å; I301-Y343 HydrophobicContact CG2-CE1 3.63Å; A338-Y343 WeakPolarHBondContact O-CD2 3.19Å; A338-Y343 PolarHBondContact O-N 3.11Å; L339-Y343 CarbonylContact O-C 3.54Å; L339-Y343 PolarHBondContact O-N 3.12Å; Y343-A345 PolarHBondContact O-N 3.18Å
344G94.7Very high96.8Very high54 Ų5459.2 Ų59.256%0.55731%0.311SS*.  trans66.533.7171.800000114.4L339 V340 S346L339-G344 PolarHBondContact O-N 3.43Å; V340-G344 WeakPolarHBondContact O-CA 3.21Å; V340-G344 PolarHBondContact O-N 3.42Å; G344-S346 PolarHBondContact O-N 2.86Å
345A96.9Very high96.8Very high8 Ų855.8 Ų55.87%0.06629%0.294CS..  trans-58.8132.6175.400000111.7V313 N314 L324 L339 V340 Y343 V347V313-A345 HydrophobicContact CG1-CB 3.82Å; N314-A345 WeakPolarHBondContact OD1-CA 3.41Å; L324-A345 HydrophobicContact CD2-CB 4.1Å; L339-A345 HydrophobicContact CB-CB 3.99Å; L339-A345 VanDerWaalsContact O-CB 3.24Å; L339-A345 WeakPolarHBondContact O-CB 3.41Å; L339-A345 PolarHBondContact O-N 2.81Å; V340-A345 HydrophobicContact CG2-CB 4.33Å; Y343-A345 PolarHBondContact O-N 3.18Å; A345-V347 PolarHBondContact O-N 2.82Å; A345-V347 VanDerWaalsContact O-N 3.08Å
346S96.6Very high96.7Very high24 Ų2458.5 Ų58.517%0.16831%0.306CS..  trans-75.299.2-178165.90000110.1N314 G344 S348 E349N314-S346 PolarHBondContact OD1-N 3.26Å; G344-S346 PolarHBondContact O-N 2.86Å; S346-S348 PolarHBondContact O-N 3.41Å; S346-S348 VanDerWaalsContact O-N 3.16Å; S346-S348 PolarHBondContact OG-OG 3.38Å; S346-E349 WeakPolarHBondContact CB-OE1 3.39Å; S346-E349 WeakPolarHBondContact O-CB 3.48Å; S346-E349 WeakPolarHBondContact O-CG 3.41Å; S346-E349 PolarHBondContact O-N 2.86Å; S346-E349 WeakPolarHBondContact OG-CG 3.41Å; S346-E349 PolarHBondContact OG-N 2.94Å; S346-E349 PolarHBondContact OG-OE1 3.24Å
347V97Very high96.7Very high33 Ų3358.6 Ų58.620%0.231%0.307CS..THydrogen-bonded Turntrans-60.2-17.4171.2174.90000112.3L324 V340 A345 L373L324-V347 HydrophobicContact CD2-CG2 4.24Å; V340-V347 HydrophobicContact CB-CG2 4.48Å; V340-V347 HydrophobicContact CG1-CG2 3.84Å; V340-V347 HydrophobicContact CG2-CG2 3.72Å; A345-V347 PolarHBondContact O-N 2.82Å; A345-V347 VanDerWaalsContact O-N 3.08Å; V347-L373 HydrophobicContact CG1-CB 4.45Å; V347-L373 VanDerWaalsContact CG1-O 3.22Å; V347-L373 WeakPolarHBondContact CG1-O 3.45Å; V347-L373 HydrophobicContact CG2-CD2 4.18Å
348S95.6Very high96.7Very high78 Ų7858 Ų5855%0.54530%0.302SS..THydrogen-bonded Turntrans-77.8-17.5173.528.10000114.7S346S346-S348 PolarHBondContact O-N 3.41Å; S346-S348 VanDerWaalsContact O-N 3.16Å; S346-S348 PolarHBondContact OG-OG 3.38Å
349E96.9Very high96.6Very high53 Ų5363.3 Ų63.325%0.24833%0.326CS..  trans-58.7146.2-176.1-72.8-39.5118.400113K316 T322 H325 S346K316-E349 WeakPolarHBondContact CE-OE2 3.5Å; K316-E349 IonicContact NZ-OE2 2.65Å; K316-E349 PolarHBondContact NZ-OE2 3.41Å; T322-E349 HydrophobicContact CG2-CB 4.12Å; T322-E349 HydrophobicContact CG2-CG 4.04Å; H325-E349 PolarHBondContact CE1-O 2.93Å; S346-E349 WeakPolarHBondContact CB-OE1 3.39Å; S346-E349 WeakPolarHBondContact O-CB 3.48Å; S346-E349 WeakPolarHBondContact O-CG 3.41Å; S346-E349 PolarHBondContact O-N 2.86Å; S346-E349 WeakPolarHBondContact OG-CG 3.41Å; S346-E349 PolarHBondContact OG-N 2.94Å; S346-E349 PolarHBondContact OG-OE1 3.24Å
350R96.9Very high96.6Very high152 Ų15265.6 Ų65.657%0.57433%0.334SS*.  trans-119.2147.7169.7-61.9176.3-175.5-160.56.3112.1K316 G354 K355 K356K316-R350 PolarHBondContact NZ-O 3.15Å; R350-G354 VanDerWaalsContact CD-O 3.3Å; R350-G354 WeakPolarHBondContact CD-O 3.39Å; R350-K355 WeakPolarHBondContact CA-O 3.31Å; R350-K355 WeakPolarHBondContact CB-O 3.36Å; R350-K356 HydrophobicContact CG-CG 4.28Å
351D97Very high96.5Very high9 Ų965.6 Ų65.65%0.04833%0.334CS..  trans-79.5-173.2165.257.633.4000112.2Y321 H325 D353 G354 K355 Y360Y321-D351 HydrophobicContact CD1-CB 3.73Å; Y321-D351 HydrophobicContact CE1-CB 3.88Å; Y321-D351 WeakPolarHBondContact CE1-OD2 3.34Å; H325-D351 IonicContact CD2-OD2 3.36Å; D351-D353 VanDerWaalsContact C-N 3.27Å; D351-D353 PolarHBondContact O-N 3.05Å; D351-D353 WeakPolarHBondContact OD1-CA 3.5Å; D351-D353 WeakPolarHBondContact OD1-CB 3.33Å; D351-D353 PolarHBondContact OD1-N 3.46Å; D351-G354 PolarHBondContact O-N 3.44Å; D351-G354 VanDerWaalsContact O-N 3.1Å; D351-G354 PolarHBondContact OD1-N 3.45Å; D351-G354 VanDerWaalsContact OD1-N 3.1Å; D351-K355 PolarHBondContact N-O 3.04Å; D351-K355 VanDerWaalsContact N-O 3.12Å; D351-K355 PolarHBondContact OD1-N 3.31Å; D351-K355 WeakPolarHBondContact OD2-CB 3.45Å; D351-Y360 VanDerWaalsContact OD2-CE2 3.25Å; D351-Y360 WeakPolarHBondContact OD2-CE2 3.5Å; D351-Y360 PolarHBondContact OD2-OH 2.91Å
352N97.6Very high96.2Very high118 Ų11861.3 Ų61.363%0.63133%0.326SS*.THydrogen-bonded Turntrans-69.4-22.1-179-64.4-5.5000113.2H318 G319 G320 G354H318-N352 PolarHBondContact O-ND2 3.34Å; G319-N352 VanDerWaalsContact C-ND2 3.25Å; G319-N352 VanDerWaalsContact O-CG 3.3Å; G319-N352 PolarHBondContact O-N 3.35Å; G320-N352 VanDerWaalsContact CA-OD1 3.28Å; G320-N352 WeakPolarHBondContact CA-OD1 3.5Å; G320-N352 PolarHBondContact N-OD1 3.04Å; N352-G354 PolarHBondContact O-N 3.33Å
353D96.4Very high95.8Very high105 Ų10561.6 Ų61.656%0.56133%0.332SS*.THydrogen-bonded Turntrans-80.8-4.5173.4-74.1-1.5000111.9D351 K355D351-D353 VanDerWaalsContact C-N 3.27Å; D351-D353 PolarHBondContact O-N 3.05Å; D351-D353 WeakPolarHBondContact OD1-CA 3.5Å; D351-D353 WeakPolarHBondContact OD1-CB 3.33Å; D351-D353 PolarHBondContact OD1-N 3.46Å; D353-K355 HydrophobicContact CB-CD 3.73Å; D353-K355 HydrophobicContact CB-CG 4.02Å; D353-K355 PolarHBondContact O-N 2.87Å; D353-K355 WeakPolarHBondContact OD2-CE 3.43Å; D353-K355 IonicContact OD2-NZ 2.76Å; D353-K355 PolarHBondContact OD2-NZ 3.16Å
354G96.9Very high95.4Very high28 Ų2863.2 Ų63.229%0.28936%0.364SS..SBendtrans74.910.8-174.500000114R350 D351 N352R350-G354 VanDerWaalsContact CD-O 3.3Å; R350-G354 WeakPolarHBondContact CD-O 3.39Å; D351-G354 PolarHBondContact O-N 3.44Å; D351-G354 VanDerWaalsContact O-N 3.1Å; D351-G354 PolarHBondContact OD1-N 3.45Å; D351-G354 VanDerWaalsContact OD1-N 3.1Å; N352-G354 PolarHBondContact O-N 3.33Å
355K97.1Very high95.2Very high77 Ų7761.7 Ų61.734%0.33535%0.346SS..  trans-83.1157.8177.2-62.9159.9-175.3163.50109.8H325 R350 D351 D353 H359 Y360H325-K355 PolarHBondContact NE2-O 3.18Å; R350-K355 WeakPolarHBondContact CA-O 3.31Å; R350-K355 WeakPolarHBondContact CB-O 3.36Å; D351-K355 PolarHBondContact N-O 3.04Å; D351-K355 VanDerWaalsContact N-O 3.12Å; D351-K355 PolarHBondContact OD1-N 3.31Å; D351-K355 WeakPolarHBondContact OD2-CB 3.45Å; D353-K355 HydrophobicContact CB-CD 3.73Å; D353-K355 HydrophobicContact CB-CG 4.02Å; D353-K355 PolarHBondContact O-N 2.87Å; D353-K355 WeakPolarHBondContact OD2-CE 3.43Å; D353-K355 IonicContact OD2-NZ 2.76Å; D353-K355 PolarHBondContact OD2-NZ 3.16Å; K355-H359 WeakPolarHBondContact CA-ND1 3.29Å; K355-H359 HydrophobicContact CB-CB 4.3Å; K355-Y360 HydrophobicContact CB-CE2 3.84Å; K355-Y360 HydrophobicContact CD-CE2 4Å; K355-Y360 VanDerWaalsContact CD-OH 3.24Å; K355-Y360 WeakPolarHBondContact CD-OH 3.38Å
356K97.4Very high95.1Very high57 Ų5763.7 Ų63.725%0.24836%0.36CS..  trans-104.2162.4170.8-67.4-175.3167.2-163.70109.9R350 L358 H359R350-K356 HydrophobicContact CG-CG 4.28Å; K356-L358 HydrophobicContact CB-CB 4.37Å; K356-L358 PolarHBondContact O-N 3.03Å; K356-L358 VanDerWaalsContact O-N 3.08Å; K356-H359 PolarHBondContact N-ND1 3.44Å; K356-H359 WeakPolarHBondContact O-CB 3.38Å; K356-H359 PolarHBondContact O-N 3.36Å
357A96.9Very high94.9Very high3 Ų365.1 Ų65.13%0.02537%0.373CS..G310 helixtrans-48-37.4169.300000113.5L324 H325 A328 H359 Y360 L373L324-A357 HydrophobicContact CB-CB 4.48Å; L324-A357 HydrophobicContact CD2-CB 4.31Å; L324-A357 HydrophobicContact CG-CB 3.93Å; H325-A357 PolarHBondContact CD2-N 3.08Å; H325-A357 VanDerWaalsContact CD2-N 3.33Å; H325-A357 PolarHBondContact NE2-N 3.14Å; H325-A357 VanDerWaalsContact NE2-N 3.14Å; A328-A357 HydrophobicContact CB-CB 4.2Å; A328-A357 VanDerWaalsContact CB-O 3.23Å; A328-A357 WeakPolarHBondContact CB-O 3.23Å; A357-H359 PolarHBondContact O-N 2.91Å; A357-H359 VanDerWaalsContact O-N 3.16Å; A357-Y360 PolarHBondContact O-N 3.33Å; A357-L373 HydrophobicContact CB-CD1 4.13Å
358L96.9Very high94.7Very high38 Ų3871 Ų7120%0.19940%0.398CS..G310 helixtrans-50.8-37.4173.7-179.766.9000113.6K356 Y360 L361 R370 L373K356-L358 HydrophobicContact CB-CB 4.37Å; K356-L358 PolarHBondContact O-N 3.03Å; K356-L358 VanDerWaalsContact O-N 3.08Å; L358-Y360 PolarHBondContact O-N 3.26Å; L358-L361 HydrophobicContact CD1-CD1 4.05Å; L358-L361 PolarHBondContact O-N 3.15Å; L358-R370 HydrophobicContact CD1-CG 4.02Å; L358-R370 WeakPolarHBondContact CD1-O 3.47Å; L358-L373 HydrophobicContact CB-CB 4.05Å; L358-L373 HydrophobicContact CD1-CB 3.86Å
359H96.3Very high94.7Very high116 Ų11667.6 Ų67.654%0.53737%0.374SS..G310 helixtrans-75.6-12.8-176.4-53.4169.8000113K355 K356 A357K355-H359 WeakPolarHBondContact CA-ND1 3.29Å; K355-H359 HydrophobicContact CB-CB 4.3Å; K356-H359 PolarHBondContact N-ND1 3.44Å; K356-H359 WeakPolarHBondContact O-CB 3.38Å; K356-H359 PolarHBondContact O-N 3.36Å; A357-H359 PolarHBondContact O-N 2.91Å; A357-H359 VanDerWaalsContact O-N 3.16Å
360Y96.3Very high94.6Very high48 Ų4868 Ų6819%0.18837%0.373CS..G310 helixtrans-96.3-3.7177.8-71.2-84.1000113.1Y321 M329 D351 K355 A357 L358 G362Y321-Y360 HydrophobicContact CE1-CE2 4.27Å; Y321-Y360 AromaticContact CE1-CZ 3.85Å; Y321-Y360 WeakPolarHBondContact CE1-OH 3.22Å; M329-Y360 HydrophobicContact CG-CD1 3.36Å; M329-Y360 HydrophobicContact CG-CE1 4.04Å; M329-Y360 HydrophobicContact CG-CG 3.67Å; M329-Y360 HydrophobicContact SD-CD1 4.17Å; M329-Y360 HydrophobicContact SD-CE1 4.26Å; D351-Y360 VanDerWaalsContact OD2-CE2 3.25Å; D351-Y360 WeakPolarHBondContact OD2-CE2 3.5Å; D351-Y360 PolarHBondContact OD2-OH 2.91Å; K355-Y360 HydrophobicContact CB-CE2 3.84Å; K355-Y360 HydrophobicContact CD-CE2 4Å; K355-Y360 VanDerWaalsContact CD-OH 3.24Å; K355-Y360 WeakPolarHBondContact CD-OH 3.38Å; A357-Y360 PolarHBondContact O-N 3.33Å; L358-Y360 PolarHBondContact O-N 3.26Å; Y360-G362 PolarHBondContact O-N 3.2Å
361L95.9Very high94.5Very high25 Ų2562.2 Ų62.213%0.13136%0.358CS..  trans-64.4130.4173.9-67.6-174.5000111.4A328 M336 L358 A365 V369 R370 L373A328-L361 HydrophobicContact CB-CD2 4.12Å; M336-L361 HydrophobicContact CE-CD2 3.65Å; M336-L361 HydrophobicContact SD-CD2 3.7Å; L358-L361 HydrophobicContact CD1-CD1 4.05Å; L358-L361 PolarHBondContact O-N 3.15Å; L361-A365 HydrophobicContact CB-CB 4.02Å; L361-A365 HydrophobicContact CD1-CB 4.24Å; L361-A365 HydrophobicContact CD2-CB 4.27Å; L361-A365 HydrophobicContact CG-CB 4.43Å; L361-V369 HydrophobicContact CD1-CG1 4.21Å; L361-V369 HydrophobicContact CD2-CG1 3.93Å; L361-R370 HydrophobicContact CD1-CB 4.17Å; L361-R370 HydrophobicContact CD1-CG 4.42Å; L361-L373 HydrophobicContact CD1-CD1 4.15Å; L361-L373 HydrophobicContact CD2-CD1 3.97Å; L361-L373 HydrophobicContact CG-CD1 4.09Å
362G90.1Very high94.4Very high46 Ų4663.8 Ų63.847%0.47437%0.366SS..  trans-59.8154.7168.300000112.6Y360 G364 A365 R370Y360-G362 PolarHBondContact O-N 3.2Å; G362-G364 PolarHBondContact O-N 3.36Å; G362-A365 VanDerWaalsContact O-CB 3.29Å; G362-A365 WeakPolarHBondContact O-CB 3.49Å; G362-A365 PolarHBondContact O-N 2.81Å; G362-R370 PolarHBondContact O-NH2 2.86Å
363K87.4Confident94.2Very high171 Ų17158.2 Ų58.274%0.74334%0.336SS*.THydrogen-bonded Turntrans-53-41.5-178.8-66.8-173174.2-171.90112.5A365 R370 Y388K363-A365 VanDerWaalsContact C-N 3.32Å; K363-A365 PolarHBondContact O-N 2.89Å; K363-R370 PolarHBondContact O-NH2 3.39Å; K363-Y388 VanDerWaalsContact CE-OH 3.31Å; K363-Y388 WeakPolarHBondContact CE-OH 3.41Å; K363-Y388 PolarHBondContact NZ-OH 3.46Å
364G87.1Confident93.8Very high85 Ų8555.8 Ų55.888%0.87634%0.336SS*.THydrogen-bonded Turntrans-80.68.6178.200000116.6G362G362-G364 PolarHBondContact O-N 3.36Å
365A90.6Very high93.3Very high21 Ų2155 Ų5517%0.17433%0.328CS..  trans-63141.6174.600000111.6L361 G362 K363 R370L361-A365 HydrophobicContact CB-CB 4.02Å; L361-A365 HydrophobicContact CD1-CB 4.24Å; L361-A365 HydrophobicContact CD2-CB 4.27Å; L361-A365 HydrophobicContact CG-CB 4.43Å; G362-A365 VanDerWaalsContact O-CB 3.29Å; G362-A365 WeakPolarHBondContact O-CB 3.49Å; G362-A365 PolarHBondContact O-N 2.81Å; K363-A365 VanDerWaalsContact C-N 3.32Å; K363-A365 PolarHBondContact O-N 2.89Å; A365-R370 PolarHBondContact O-NH2 2.99Å
366S93.5Very high92.3Very high51 Ų5156.6 Ų56.636%0.35735%0.346SS..  trans-53.5142.5179.9173.40000112E368 V369 R370S366-E368 PolarHBondContact O-N 3.47Å; S366-E368 PolarHBondContact OG-N 3.1Å; S366-E368 PolarHBondContact OG-OE2 3.04Å; S366-V369 PolarHBondContact O-N 3.25Å; S366-R370 WeakPolarHBondContact O-CB 3.49Å; S366-R370 PolarHBondContact O-N 3.46Å
367A92.2Very high90.5Very high54 Ų5461.9 Ų61.945%0.44637%0.371SS..Hα-helixtrans-57.8-32173.300000112R370 A371A367-R370 PolarHBondContact O-N 3.42Å; A367-A371 WeakPolarHBondContact O-CB 3.25Å; A367-A371 PolarHBondContact O-N 3.3Å
368E93.4Very high88.5Confident155 Ų15569 Ų6972%0.72440%0.404SS*.Hα-helixtrans-65.4-46.7176.3-57.9169.3145.900111.5S366 R370 A371 L372S366-E368 PolarHBondContact O-N 3.47Å; S366-E368 PolarHBondContact OG-N 3.1Å; S366-E368 PolarHBondContact OG-OE2 3.04Å; E368-R370 VanDerWaalsContact C-N 3.33Å; E368-A371 PolarHBondContact O-N 3.44Å; E368-L372 VanDerWaalsContact O-CB 3.31Å; E368-L372 WeakPolarHBondContact O-CB 3.29Å; E368-L372 PolarHBondContact O-N 2.77Å
369V94.9Very high85.8Confident7 Ų772.2 Ų72.24%0.04243%0.43CS..Hα-helixtrans-65-39.9176.4174.40000110.4M336 L361 S366 L372 L373M336-V369 HydrophobicContact CE-CG1 3.7Å; M336-V369 HydrophobicContact SD-CG1 4.18Å; L361-V369 HydrophobicContact CD1-CG1 4.21Å; L361-V369 HydrophobicContact CD2-CG1 3.93Å; S366-V369 PolarHBondContact O-N 3.25Å; V369-L372 PolarHBondContact O-N 2.65Å; V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 2.92Å
370R95.3Very high83.5Confident63 Ų6370.6 Ų70.624%0.23845%0.445CS..Hα-helixtrans-64.4-41.7176.5-169.4171.6-70.6132.91.8111.7L358 L361 G362 K363 A365 S366 A367 E368 G375L358-R370 HydrophobicContact CD1-CG 4.02Å; L358-R370 WeakPolarHBondContact CD1-O 3.47Å; L361-R370 HydrophobicContact CD1-CB 4.17Å; L361-R370 HydrophobicContact CD1-CG 4.42Å; G362-R370 PolarHBondContact O-NH2 2.86Å; K363-R370 PolarHBondContact O-NH2 3.39Å; A365-R370 PolarHBondContact O-NH2 2.99Å; S366-R370 WeakPolarHBondContact O-CB 3.49Å; S366-R370 PolarHBondContact O-N 3.46Å; A367-R370 PolarHBondContact O-N 3.42Å; E368-R370 VanDerWaalsContact C-N 3.33Å; R370-G375 WeakPolarHBondContact O-CA 3.24Å; R370-G375 PolarHBondContact O-N 3.37Å
371A94.1Very high80.6Confident30 Ų3077.3 Ų77.325%0.24848%0.478CS..Hα-helixtrans-69-41.1174.500000112.3A367 E368 L373 G374 Q377A367-A371 WeakPolarHBondContact O-CB 3.25Å; A367-A371 PolarHBondContact O-N 3.3Å; E368-A371 PolarHBondContact O-N 3.44Å; A371-L373 VanDerWaalsContact C-N 3.25Å; A371-L373 PolarHBondContact O-N 3.02Å; A371-G374 WeakPolarHBondContact O-CA 3.44Å; A371-G374 PolarHBondContact O-N 3.35Å; A371-Q377 HydrophobicContact CB-CG 3.82Å
372L95.4Very high78.1Confident42 Ų4286.4 Ų86.422%0.2252%0.516CS..Hα-helixtrans-58.1-37.5175.1-178.168.8000112V337 V340 Q341 E368 V369 G374V337-L372 HydrophobicContact CB-CD2 4.39Å; V337-L372 HydrophobicContact CG2-CD2 3.92Å; V340-L372 HydrophobicContact CB-CD1 4.19Å; V340-L372 HydrophobicContact CB-CD2 4.22Å; V340-L372 HydrophobicContact CB-CG 4.22Å; V340-L372 HydrophobicContact CG1-CD1 3.7Å; V340-L372 HydrophobicContact CG1-CG 4.08Å; V340-L372 HydrophobicContact CG2-CG 4.47Å; Q341-L372 HydrophobicContact CG-CD1 3.95Å; E368-L372 VanDerWaalsContact O-CB 3.31Å; E368-L372 WeakPolarHBondContact O-CB 3.29Å; E368-L372 PolarHBondContact O-N 2.77Å; V369-L372 PolarHBondContact O-N 2.65Å; L372-G374 PolarHBondContact O-N 3.38Å
373L93.2Very high75.5Confident1 Ų193.1 Ų93.11%0.00554%0.537CS..THydrogen-bonded Turntrans-84.215.3174.2-61.7-167.2000114.1L324 M336 V340 V347 A357 L358 L361 V369 A371L324-L373 HydrophobicContact CD1-CD2 4.11Å; L324-L373 HydrophobicContact CD2-CD2 3.96Å; L324-L373 HydrophobicContact CG-CD2 4.21Å; M336-L373 HydrophobicContact SD-CD1 3.8Å; V340-L373 HydrophobicContact CG2-CD2 4.1Å; V347-L373 HydrophobicContact CG1-CB 4.45Å; V347-L373 VanDerWaalsContact CG1-O 3.22Å; V347-L373 WeakPolarHBondContact CG1-O 3.45Å; V347-L373 HydrophobicContact CG2-CD2 4.18Å; A357-L373 HydrophobicContact CB-CD1 4.13Å; L358-L373 HydrophobicContact CB-CB 4.05Å; L358-L373 HydrophobicContact CD1-CB 3.86Å; L361-L373 HydrophobicContact CD1-CD1 4.15Å; L361-L373 HydrophobicContact CD2-CD1 3.97Å; L361-L373 HydrophobicContact CG-CD1 4.09Å; V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 2.92Å; A371-L373 VanDerWaalsContact C-N 3.25Å; A371-L373 PolarHBondContact O-N 3.02Å
374G88.3Confident73.1Confident53 Ų5393.8 Ų93.855%0.54654%0.543SS..THydrogen-bonded Turntrans74.323.117400000114.5A371 L372A371-G374 WeakPolarHBondContact O-CA 3.44Å; A371-G374 PolarHBondContact O-N 3.35Å; L372-G374 PolarHBondContact O-N 3.38Å
375G86.1Confident70.9Confident12 Ų1293.8 Ų93.812%0.12454%0.543CS..PPolyproline II helixtrans-76.5165.9163.900000111.9R370 Q377R370-G375 WeakPolarHBondContact O-CA 3.24Å; R370-G375 PolarHBondContact O-N 3.37Å; G375-Q377 PolarHBondContact O-N 3.15Å
376P77Confident68.3Low110 Ų110101.8 Ų101.871%0.71458%0.577SS**PPolyproline II helixtrans-63.5132.8178.527.2-34.3000110.9Q378P376-Q378 PolarHBondContact O-N 2.86Å
377Q58.6Low65.4Low168 Ų168107.7 Ų107.779%0.78560%0.599SS**PPolyproline II helixtrans-67.7120.4165.8-79.2-176.7-39.800108.9A371 G375 S379A371-Q377 HydrophobicContact CB-CG 3.82Å; G375-Q377 PolarHBondContact O-N 3.15Å; Q377-S379 VanDerWaalsContact C-N 3.34Å; Q377-S379 PolarHBondContact O-N 3.12Å; Q377-S379 VanDerWaalsContact O-N 3.11Å
378Q54.9Low62.5Low153 Ų153114.4 Ų114.472%0.71561%0.614SS**  trans-79.486.9167-71.9178.4-37.800108.4P376 G380P376-Q378 PolarHBondContact O-N 2.86Å; Q378-G380 PolarHBondContact O-N 3.47Å
379S40.8Very low59.5Low106 Ų106113.7 Ų113.774%0.74161%0.611SS**  trans-56124156.548.80000107.8Q377 E381Q377-S379 VanDerWaalsContact C-N 3.34Å; Q377-S379 PolarHBondContact O-N 3.12Å; Q377-S379 VanDerWaalsContact O-N 3.11Å; S379-E381 PolarHBondContact O-N 3.07Å
380G47.5Very low56.6Low82 Ų82121.5 Ų121.585%0.84565%0.647SS**SBendtrans-74.686.5-157.400000115.7Q378Q378-G380 PolarHBondContact O-N 3.47Å
381E35.9Very low53.9Low188 Ų188125.3 Ų125.388%0.87967%0.667SS**  trans-114.7131.5157.9-66.2-168.9141.700109.8S379S379-E381 PolarHBondContact O-N 3.07Å
382K44.7Very low51.3Low217 Ų217129 Ų12994%0.94369%0.687SS**  trans-82114.7169.2-73.5179.71781780107.9
383M35.3Very low48.7Very low186 Ų186137.9 Ų137.992%0.91672%0.717SS**  trans-131.9161157-131.3170-175.900110.1
384E35.8Very low46.2Very low186 Ų186140.7 Ų140.787%0.86975%0.746SS**  trans-83.9169.9-154.5-62.4179.7123.900113E386E384-E386 PolarHBondContact O-N 2.94Å
385G42.4Very low44.1Very low85 Ų85146.7 Ų146.788%0.87676%0.758SS**  trans-78.7113.4-163.500000114.1
386E35.1Very low42.7Very low188 Ų188153.2 Ų153.288%0.87979%0.79SS**  trans-108.4122.6168.1-69.9-170.7158.100112.7E384E384-E386 PolarHBondContact O-N 2.94Å
387E31.6Very low41.6Very low175 Ų175151.6 Ų151.682%0.81878%0.778SS**  trans23.9137.9146.7-157.4158.7-150.800122.5Q389E387-Q389 PolarHBondContact O-N 3.38Å
388Y32.5Very low41.7Very low195 Ų195149.4 Ų149.477%0.76577%0.771SS**  trans-70.681170.1-92.2-102.3000112.1K363 E390K363-Y388 VanDerWaalsContact CE-OH 3.31Å; K363-Y388 WeakPolarHBondContact CE-OH 3.41Å; K363-Y388 PolarHBondContact NZ-OH 3.46Å; Y388-E390 PolarHBondContact O-N 3.19Å
389Q31Very low41.7Very low141 Ų141145.9 Ų145.966%0.65976%0.763SS**  trans-75.294.6165.7-85.7-164.1-1.700112E387 H391E387-Q389 PolarHBondContact O-N 3.38Å; Q389-H391 VanDerWaalsContact C-N 3.34Å; Q389-H391 PolarHBondContact O-N 2.97Å; Q389-H391 PolarHBondContact O-ND1 3.15Å; Q389-H391 VanDerWaalsContact O-ND1 3.11Å
390E33.4Very low42.5Very low170 Ų170148.3 Ų148.379%0.79476%0.76SS**  trans-6389.1169.4-173.3174-151.700110.8Y388 T392Y388-E390 PolarHBondContact O-N 3.19Å; E390-T392 HydrophobicContact CG-CG2 4.42Å; E390-T392 PolarHBondContact O-N 2.89Å
391H37.8Very low43Very low144 Ų144151.1 Ų151.167%0.66776%0.755SS**  trans-69.280176.9-83.485.5000111.7Q389 R393Q389-H391 VanDerWaalsContact C-N 3.34Å; Q389-H391 PolarHBondContact O-N 2.97Å; Q389-H391 PolarHBondContact O-ND1 3.15Å; Q389-H391 VanDerWaalsContact O-ND1 3.11Å; H391-R393 PolarHBondContact O-N 2.97Å
392T39.3Very low44.2Very low108 Ų108150.2 Ų150.266%0.66375%0.748SS**  trans-63.175.916341.50000109.9E390 G394E390-T392 HydrophobicContact CG-CG2 4.42Å; E390-T392 PolarHBondContact O-N 2.89Å; T392-G394 PolarHBondContact O-N 3.19Å
393R42.3Very low45Very low227 Ų227145.8 Ų145.886%0.85773%0.731SS**  trans-51.4115.8177.2-76.1-175.1171.6-167.7-3.3108.9H391 F395H391-R393 PolarHBondContact O-N 2.97Å; R393-F395 PolarHBondContact O-N 3.31Å
394G40.8Very low45.7Very low60 Ų60142.3 Ų142.362%0.61972%0.722SS**  trans-51127.8-156.400000114.2T392 N396T392-G394 PolarHBondContact O-N 3.19Å; G394-N396 PolarHBondContact O-N 2.89Å; G394-N396 VanDerWaalsContact O-N 3.15Å
395F43.8Very low46.5Very low180 Ų180142.5 Ų142.579%0.78972%0.722SS**  trans-55.3119.7167.2-77.9-94.9000109.2R393 T397R393-F395 PolarHBondContact O-N 3.31Å; F395-T397 HydrophobicContact CB-CG2 4.14Å; F395-T397 PolarHBondContact O-N 3.11Å
396N57.2Low46.9Very low149 Ų149146.4 Ų146.480%0.79772%0.722SS**  trans-74.870.6167.9-75.5-45.5000109.2G394G394-N396 PolarHBondContact O-N 2.89Å; G394-N396 VanDerWaalsContact O-N 3.15Å
397T53Low47.5Very low76 Ų76140.7 Ų140.747%0.46671%0.714SS.*  trans-63.9134.5176.242.40000110.7F395 S399 K400F395-T397 HydrophobicContact CB-CG2 4.14Å; F395-T397 PolarHBondContact O-N 3.11Å; T397-S399 PolarHBondContact O-N 2.78Å; T397-K400 PolarHBondContact O-N 3.15Å; T397-K400 VanDerWaalsContact O-N 3.15Å
398I59.8Low48.3Very low122 Ų122141.9 Ų141.963%0.62672%0.717SS**G310 helixtrans-55.9-19.4179-70.6164.9000112K400 L401 F402I398-K400 PolarHBondContact O-N 3.23Å; I398-L401 HydrophobicContact CG2-CD1 4.26Å; I398-L401 WeakPolarHBondContact O-CB 3.4Å; I398-L401 PolarHBondContact O-N 3.04Å; I398-F402 HydrophobicContact CG2-CD2 4.46Å; I398-F402 HydrophobicContact CG2-CE2 4.06Å
399S55.7Low49Very low79 Ų79142.2 Ų142.255%0.55272%0.722SS**G310 helixtrans-41.8-32.1168.1-46.40000114.6T397 L401 H403T397-S399 PolarHBondContact O-N 2.78Å; S399-L401 VanDerWaalsContact C-N 3.3Å; S399-L401 PolarHBondContact O-N 2.86Å; S399-H403 PolarHBondContact O-CE1 3.25Å; S399-H403 PolarHBondContact O-ND1 2.66Å
400K57.4Low49.7Very low156 Ų156144.5 Ų144.568%0.67873%0.732SS**G310 helixtrans-66.4-25.1176.9-78.6-178.4177.4174.60114.4T397 I398 F402 H403T397-K400 PolarHBondContact O-N 3.15Å; T397-K400 VanDerWaalsContact O-N 3.15Å; I398-K400 PolarHBondContact O-N 3.23Å; K400-F402 PolarHBondContact O-N 3.33Å; K400-H403 PolarHBondContact O-ND1 2.93Å
401L59.2Low50.5Low141 Ų141146 Ų14674%0.73874%0.736SS**G310 helixtrans-75.7-15.2-178.5-78.1156.9000114.9I398 S399I398-L401 HydrophobicContact CG2-CD1 4.26Å; I398-L401 WeakPolarHBondContact O-CB 3.4Å; I398-L401 PolarHBondContact O-N 3.04Å; S399-L401 VanDerWaalsContact C-N 3.3Å; S399-L401 PolarHBondContact O-N 2.86Å
402F60.9Low51.4Low169 Ų169148.8 Ų148.874%0.74176%0.764SS**G310 helixtrans-114.424.5-171.6-68.1-77.3000114.4I398 K400 P404I398-F402 HydrophobicContact CG2-CD2 4.46Å; I398-F402 HydrophobicContact CG2-CE2 4.06Å; K400-F402 PolarHBondContact O-N 3.33Å; F402-P404 WeakPolarHBondContact O-CD 3.31Å
403H61.2Low52Low124 Ų124150.9 Ų150.957%0.57477%0.769SS**  trans-78.3118.5171.6-68.881.4000110.1S399 K400 H405S399-H403 PolarHBondContact O-CE1 3.25Å; S399-H403 PolarHBondContact O-ND1 2.66Å; K400-H403 PolarHBondContact O-ND1 2.93Å; H403-H405 PolarHBondContact O-N 3.38Å
404P50.5Low52.5Low113 Ų113146.8 Ų146.873%0.73476%0.764SS**  trans-67.9124.1177.627.5-33.4000110.3F402 L406F402-P404 WeakPolarHBondContact O-CD 3.31Å; P404-L406 PolarHBondContact O-N 3.32Å
405H50.7Low53.1Low190 Ų190151.7 Ų151.788%0.8877%0.772SS**  trans-69.993.9-179.9-65-60.9000111.6H403 G407H403-H405 PolarHBondContact O-N 3.38Å; H405-G407 PolarHBondContact O-N 3.2Å
406L51.6Low53.7Low167 Ų167150 Ų15087%0.87477%0.771SS**  trans-66.9105.2167.6-69.6177.2000109.6P404 K408P404-L406 PolarHBondContact O-N 3.32Å; L406-K408 PolarHBondContact O-N 3.28Å
407G47Very low53.5Low68 Ų68150.1 Ų150.170%0.70177%0.769SS**  trans-64.7129.2-174.300000113.2H405 K409H405-G407 PolarHBondContact O-N 3.2Å; G407-K409 PolarHBondContact O-N 3.14Å; G407-K409 VanDerWaalsContact O-N 3.12Å
408K49.5Very low53.5Low201 Ų201155 Ų15587%0.87479%0.79SS**  trans-67.4106170.8-66.7-179.1179.2-179.70109.5L406 H410L406-K408 PolarHBondContact O-N 3.28Å; K408-H410 PolarHBondContact O-N 3.39Å
409K46.8Very low53.1Low202 Ų202157.4 Ų157.488%0.87880%0.801SS**  trans-70.9120.1164.6-71.5-171.5176.3-176.10108.7G407G407-K409 PolarHBondContact O-N 3.14Å; G407-K409 VanDerWaalsContact O-N 3.12Å
410H46Very low52.9Low189 Ų189163.4 Ų163.488%0.87582%0.821SS**  trans-61.7142.1162-84.6-107.9000109K408K408-H410 PolarHBondContact O-N 3.39Å
411K49.4Very low52.5Low201 Ų201164 Ų16487%0.87483%0.832SS**  trans-112.2114.3170.5-166.6-180-178-171.50107.8
412T56.9Low51.9Low203 Ų203166.1 Ų166.1100%1.24584%0.841SS**  trans-69.80159.550.50000109.7

Retrieved 412 of 412 residues in 337.4 ms (Link to these results)

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