A0A077ZGF8_TRITR Loading...

RICTOR V domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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
1M51.5Low65.3Low221 Ų22192.9 Ų92.9100%1.08945%0.454SS*.  0-6.40-144.7178.7-72.600115.1P4M1-P4 WeakPolarHBondContact O-CD 3.47Å
2F58Low66.1Low192 Ų19292.3 Ų92.384%0.84248%0.475SS*.  trans-79.2-20.7-176.8-83.2-86.4000116
3V62.3Low66.8Low60 Ų6092.7 Ų92.736%0.36447%0.471SS..Hα-helixtrans-64.8-42.7-171.6-175.10000113.7L5 V7 L29 W40V3-L5 PolarHBondContact O-N 3.01Å; V3-V7 HydrophobicContact CG1-CG2 4.25Å; V3-V7 WeakPolarHBondContact O-CB 3.4Å; V3-V7 VanDerWaalsContact O-CG2 3.26Å; V3-V7 WeakPolarHBondContact O-CG2 3.38Å; V3-V7 PolarHBondContact O-N 2.9Å; V3-L29 HydrophobicContact CG1-CD1 3.57Å; V3-W40 HydrophobicContact CG1-CH2 4.43Å
4P63.1Low67.4Low35 Ų3595.1 Ų95.123%0.22750%0.496CS..Hα-helixtrans-61.9-45.5-176.6-23.534.4000112.9M1 F6 V7 F8 W40M1-P4 WeakPolarHBondContact O-CD 3.47Å; P4-F6 PolarHBondContact O-N 3.31Å; P4-V7 PolarHBondContact O-N 2.91Å; P4-F8 HydrophobicContact CB-CD2 4.18Å; P4-F8 HydrophobicContact CB-CE2 3.99Å; P4-F8 WeakPolarHBondContact O-CD2 3.45Å; P4-F8 PolarHBondContact O-N 3.45Å; P4-W40 HydrophobicContact CG-CD2 4.43Å; P4-W40 HydrophobicContact CG-CG 4.47Å
5L65.2Low68.8Low127 Ų12795.2 Ų95.267%0.66550%0.497SS*.Hα-helixtrans-63.8-43.2-172.7-157.295.9000112.3V3 V7 F8 L9V3-L5 PolarHBondContact O-N 3.01Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.29Å; L5-F8 PolarHBondContact O-N 2.94Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.5Å
6F67.2Low70Confident125 Ų12594.2 Ų94.255%0.54849%0.489SS..Hα-helixtrans-64.6-40.5178.3-177.3-98000111.8P4 L9 Q10P4-F6 PolarHBondContact O-N 3.31Å; F6-L9 PolarHBondContact O-N 3.42Å; F6-Q10 HydrophobicContact CD1-CG 4.42Å; F6-Q10 HydrophobicContact CE1-CG 4.16Å; F6-Q10 VanDerWaalsContact CE1-NE2 3.28Å; F6-Q10 VanDerWaalsContact O-CG 3.3Å; F6-Q10 WeakPolarHBondContact O-CG 3.49Å; F6-Q10 PolarHBondContact O-N 3.16Å
7V66.9Low71.1Confident4 Ų497.2 Ų97.22%0.02450%0.5CS..Hα-helixtrans-64.6-46.3177.5166.80000110.7V3 P4 L5 L9 Q10 F11 Y25 V26 V44V3-V7 HydrophobicContact CG1-CG2 4.25Å; V3-V7 WeakPolarHBondContact O-CB 3.4Å; V3-V7 VanDerWaalsContact O-CG2 3.26Å; V3-V7 WeakPolarHBondContact O-CG2 3.38Å; V3-V7 PolarHBondContact O-N 2.9Å; P4-V7 PolarHBondContact O-N 2.91Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.29Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.88Å; V7-Q10 WeakPolarHBondContact O-CB 3.3Å; V7-Q10 PolarHBondContact O-N 3.34Å; V7-Q10 VanDerWaalsContact O-N 3.11Å; V7-F11 HydrophobicContact CG1-CD2 3.88Å; V7-F11 HydrophobicContact CG1-CE2 3.27Å; V7-F11 HydrophobicContact CG1-CZ 4.23Å; V7-F11 WeakPolarHBondContact O-CD2 3.41Å; V7-F11 PolarHBondContact O-N 3.39Å; V7-Y25 HydrophobicContact CG2-CD1 4.13Å; V7-Y25 HydrophobicContact CG2-CE1 4.22Å; V7-V26 HydrophobicContact CG1-CG2 3.39Å; V7-V26 HydrophobicContact CG2-CG2 4.43Å; V7-V44 HydrophobicContact CG1-CG1 4.41Å
8F70Confident72.1Confident98 Ų9893.4 Ų93.443%0.4348%0.482SS..Hα-helixtrans-60-41175.9-78.7-65.8000112.9P4 L5 Q10 F11 A12 V44P4-F8 HydrophobicContact CB-CD2 4.18Å; P4-F8 HydrophobicContact CB-CE2 3.99Å; P4-F8 WeakPolarHBondContact O-CD2 3.45Å; P4-F8 PolarHBondContact O-N 3.45Å; L5-F8 PolarHBondContact O-N 2.94Å; F8-Q10 PolarHBondContact O-N 3.25Å; F8-F11 PolarHBondContact O-N 3.39Å; F8-A12 PolarHBondContact O-N 2.89Å; F8-V44 HydrophobicContact CD1-CG2 4.37Å; F8-V44 HydrophobicContact CE1-CG2 3.57Å; F8-V44 HydrophobicContact CE2-CG2 4.29Å; F8-V44 HydrophobicContact CZ-CG2 3.5Å; F8-V44 VanDerWaalsContact CZ-CG2 3.5Å
9L67.6Low73.2Confident108 Ų10889.7 Ų89.757%0.56546%0.461SS*.Hα-helixtrans-63.6-29.9176.8-73.7172.9000112.9L5 F6 V7L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.5Å; F6-L9 PolarHBondContact O-N 3.42Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.88Å
10Q72Confident74.1Confident27 Ų2787.7 Ų87.713%0.12645%0.451CS..Hα-helixtrans-73-36.1176.5-65-119.2-4.900112F6 V7 F8 A12 K13 T18 A22F6-Q10 HydrophobicContact CD1-CG 4.42Å; F6-Q10 HydrophobicContact CE1-CG 4.16Å; F6-Q10 VanDerWaalsContact CE1-NE2 3.28Å; F6-Q10 VanDerWaalsContact O-CG 3.3Å; F6-Q10 WeakPolarHBondContact O-CG 3.49Å; F6-Q10 PolarHBondContact O-N 3.16Å; V7-Q10 WeakPolarHBondContact O-CB 3.3Å; V7-Q10 PolarHBondContact O-N 3.34Å; V7-Q10 VanDerWaalsContact O-N 3.11Å; F8-Q10 PolarHBondContact O-N 3.25Å; Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 3.21Å; Q10-K13 WeakPolarHBondContact O-CB 3.36Å; Q10-K13 PolarHBondContact O-N 3.21Å; Q10-T18 HydrophobicContact CB-CG2 4.32Å; Q10-A22 HydrophobicContact CB-CB 3.73Å
11F74.2Confident74.8Confident25 Ų2590.6 Ų90.611%0.1146%0.457CS..Hα-helixtrans-71.8-25.8178.7-68.3-57.5000114V7 F8 K13 R19 A22 T23 V26 V44 Q48V7-F11 HydrophobicContact CG1-CD2 3.88Å; V7-F11 HydrophobicContact CG1-CE2 3.27Å; V7-F11 HydrophobicContact CG1-CZ 4.23Å; V7-F11 WeakPolarHBondContact O-CD2 3.41Å; V7-F11 PolarHBondContact O-N 3.39Å; F8-F11 PolarHBondContact O-N 3.39Å; F11-K13 PolarHBondContact O-N 3.31Å; F11-R19 HydrophobicContact CD1-CB 4.48Å; F11-R19 VanDerWaalsContact O-CD 3.29Å; F11-R19 WeakPolarHBondContact O-CD 3.41Å; F11-A22 HydrophobicContact CD1-CB 3.89Å; F11-A22 HydrophobicContact CE1-CB 3.4Å; F11-A22 HydrophobicContact CE2-CB 4.22Å; F11-A22 HydrophobicContact CG-CB 4.48Å; F11-A22 VanDerWaalsContact CZ-C 3.5Å; F11-A22 HydrophobicContact CZ-CB 3.59Å; F11-T23 WeakPolarHBondContact CE1-OG1 3.44Å; F11-V26 HydrophobicContact CE2-CG2 3.9Å; F11-V26 HydrophobicContact CZ-CG2 3.84Å; F11-V44 HydrophobicContact CD2-CG1 3.92Å; F11-V44 HydrophobicContact CE2-CG1 3.21Å; F11-V44 HydrophobicContact CZ-CG1 3.78Å; F11-Q48 HydrophobicContact CD1-CG 4.08Å; F11-Q48 VanDerWaalsContact CD1-OE1 3.23Å; F11-Q48 HydrophobicContact CE1-CG 3.71Å; F11-Q48 VanDerWaalsContact CE1-OE1 3.3Å; F11-Q48 HydrophobicContact CZ-CG 4.1Å
12A75.2Confident76.7Confident86 Ų8680.2 Ų80.271%0.71141%0.407SS*.THydrogen-bonded Turntrans-73.3-7174.400000113.6F8 Q10F8-A12 PolarHBondContact O-N 2.89Å; Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 3.21Å
13K75.1Confident78.3Confident97 Ų9771.1 Ų71.142%0.42237%0.367SS..SBendtrans-78142-177.4-69.6177.1175.8-174.40111.7Q10 F11 L15 T18 R19Q10-K13 WeakPolarHBondContact O-CB 3.36Å; Q10-K13 PolarHBondContact O-N 3.21Å; F11-K13 PolarHBondContact O-N 3.31Å; K13-L15 PolarHBondContact O-N 3.27Å; K13-T18 HydrophobicContact CB-CG2 4.41Å; K13-T18 HydrophobicContact CD-CG2 3.64Å; K13-R19 PolarHBondContact O-NH1 2.8Å
14P75.2Confident79.6Confident127 Ų12773 Ų7383%0.82537%0.371SS*.SBendtrans-68.7-24.5-178.627.6-34.7000112.8Q16 R19P14-Q16 PolarHBondContact O-N 3.31Å; P14-R19 PolarHBondContact O-NH1 3.34Å
15L88Confident80.9Confident96 Ų9675 Ų7550%0.50338%0.375SS..  trans-74.4122.1-174.7-158.479.2000111.5K13 E17 T18 R19K13-L15 PolarHBondContact O-N 3.27Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 HydrophobicContact CD2-CB 4.16Å; L15-E17 HydrophobicContact CG-CB 4.48Å; L15-E17 PolarHBondContact O-N 3.23Å; L15-T18 PolarHBondContact O-N 3.11Å; L15-R19 PolarHBondContact O-N 3.43Å
16Q88.7Confident82Confident79 Ų7969 Ų6937%0.36934%0.343SS..Hα-helixtrans-55.3-45.4178.5177.2-178.6-8.300112.6P14 T18 R19 L20 S53 E55P14-Q16 PolarHBondContact O-N 3.31Å; Q16-T18 PolarHBondContact O-N 3.32Å; Q16-R19 PolarHBondContact O-N 2.7Å; Q16-R19 VanDerWaalsContact O-N 3.16Å; Q16-L20 WeakPolarHBondContact O-CB 3.43Å; Q16-L20 PolarHBondContact O-N 3.36Å; Q16-S53 WeakPolarHBondContact CG-OG 3.34Å; Q16-S53 PolarHBondContact NE2-OG 3.49Å; Q16-E55 PolarHBondContact NE2-OE2 2.76Å
17E88.6Confident82.9Confident146 Ų14663.4 Ų63.468%0.68232%0.319SS*.Hα-helixtrans-59.2-35.6-178.8-63178.4170.500112.4L15 Y21L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 HydrophobicContact CD2-CB 4.16Å; L15-E17 HydrophobicContact CG-CB 4.48Å; L15-E17 PolarHBondContact O-N 3.23Å; E17-Y21 WeakPolarHBondContact O-CB 3.38Å; E17-Y21 PolarHBondContact O-N 2.81Å
18T89.6Confident83.8Confident28 Ų2867.5 Ų67.517%0.17234%0.339CS..Hα-helixtrans-71.8-40.4178.7-51.90000111.7Q10 K13 L15 Q16 Y21 A22Q10-T18 HydrophobicContact CB-CG2 4.32Å; K13-T18 HydrophobicContact CB-CG2 4.41Å; K13-T18 HydrophobicContact CD-CG2 3.64Å; L15-T18 PolarHBondContact O-N 3.11Å; Q16-T18 PolarHBondContact O-N 3.32Å; T18-Y21 PolarHBondContact O-N 2.91Å; T18-A22 VanDerWaalsContact O-CB 3.31Å; T18-A22 WeakPolarHBondContact O-CB 3.42Å; T18-A22 PolarHBondContact O-N 3.07Å
19R92.5Very high84.6Confident23 Ų2363.6 Ų63.69%0.08732%0.323CS..Hα-helixtrans-66.8-40.7175-60.4-161.6-54.5-79.20.4111.2F11 K13 P14 L15 Q16 Y21 A22 T23 D51 V56F11-R19 HydrophobicContact CD1-CB 4.48Å; F11-R19 VanDerWaalsContact O-CD 3.29Å; F11-R19 WeakPolarHBondContact O-CD 3.41Å; K13-R19 PolarHBondContact O-NH1 2.8Å; P14-R19 PolarHBondContact O-NH1 3.34Å; L15-R19 PolarHBondContact O-N 3.43Å; Q16-R19 PolarHBondContact O-N 2.7Å; Q16-R19 VanDerWaalsContact O-N 3.16Å; R19-Y21 PolarHBondContact O-N 3.28Å; R19-A22 PolarHBondContact O-N 3.35Å; R19-T23 WeakPolarHBondContact O-CB 3.3Å; R19-T23 PolarHBondContact O-N 2.89Å; R19-T23 PolarHBondContact O-OG1 3.36Å; R19-T23 VanDerWaalsContact O-OG1 3.07Å; R19-D51 WeakPolarHBondContact CD-OD2 3.41Å; R19-D51 IonicContact CZ-OD1 3.83Å; R19-D51 IonicContact CZ-OD2 2.83Å; R19-D51 IonicContact NE-OD1 2.77Å; R19-D51 PolarHBondContact NE-OD1 3.39Å; R19-D51 IonicContact NE-OD2 3.92Å; R19-D51 PolarHBondContact NE-OD2 2.66Å; R19-D51 IonicContact NH2-OD1 2.93Å; R19-D51 PolarHBondContact NH2-OD1 2.93Å; R19-D51 IonicContact NH2-OD2 3.61Å; R19-V56 HydrophobicContact CB-CG2 4.09Å
20L91.2Very high85.2Confident49 Ų4959 Ų5926%0.25730%0.301SS..Hα-helixtrans-61.2-45.5175.2-172.164.7000111.7Q16 T23 H24 E55 V56 A59Q16-L20 WeakPolarHBondContact O-CB 3.43Å; Q16-L20 PolarHBondContact O-N 3.36Å; L20-T23 PolarHBondContact O-N 3.44Å; L20-H24 PolarHBondContact O-N 3.37Å; L20-H24 PolarHBondContact O-ND1 2.95Å; L20-E55 WeakPolarHBondContact CD1-O 3.35Å; L20-V56 HydrophobicContact CB-CG2 4.21Å; L20-V56 HydrophobicContact CD1-CG2 4.39Å; L20-A59 HydrophobicContact CD1-CB 3.61Å
21Y89.6Confident85.6Confident149 Ų14962.1 Ų62.158%0.58432%0.316SS*.Hα-helixtrans-60.9-47.2174.5176.5-94.9000111.8E17 T18 R19 T23 H24 Y25E17-Y21 WeakPolarHBondContact O-CB 3.38Å; E17-Y21 PolarHBondContact O-N 2.81Å; T18-Y21 PolarHBondContact O-N 2.91Å; R19-Y21 PolarHBondContact O-N 3.28Å; Y21-T23 VanDerWaalsContact C-N 3.32Å; Y21-T23 PolarHBondContact O-N 3.32Å; Y21-H24 PolarHBondContact O-N 3.22Å; Y21-Y25 WeakPolarHBondContact O-CB 3.48Å; Y21-Y25 PolarHBondContact O-N 2.88Å
22A91.3Very high86Confident4 Ų467.6 Ų67.63%0.03334%0.343CS..Hα-helixtrans-61.8-39.6178.300000112Q10 F11 T18 R19 Y25 V26Q10-A22 HydrophobicContact CB-CB 3.73Å; F11-A22 HydrophobicContact CD1-CB 3.89Å; F11-A22 HydrophobicContact CE1-CB 3.4Å; F11-A22 HydrophobicContact CE2-CB 4.22Å; F11-A22 HydrophobicContact CG-CB 4.48Å; F11-A22 VanDerWaalsContact CZ-C 3.5Å; F11-A22 HydrophobicContact CZ-CB 3.59Å; T18-A22 VanDerWaalsContact O-CB 3.31Å; T18-A22 WeakPolarHBondContact O-CB 3.42Å; T18-A22 PolarHBondContact O-N 3.07Å; R19-A22 PolarHBondContact O-N 3.35Å; A22-Y25 WeakPolarHBondContact O-CB 3.28Å; A22-Y25 PolarHBondContact O-N 3.22Å; A22-V26 WeakPolarHBondContact O-CG2 3.4Å; A22-V26 PolarHBondContact O-N 3.2Å
23T91.1Very high86.1Confident0 Ų072.7 Ų72.70%034%0.344CS..Hα-helixtrans-61.4-49.7174.9-70.20000111.4F11 R19 L20 Y21 Y25 V26 I27 Q48 A59 V60F11-T23 WeakPolarHBondContact CE1-OG1 3.44Å; R19-T23 WeakPolarHBondContact O-CB 3.3Å; R19-T23 PolarHBondContact O-N 2.89Å; R19-T23 PolarHBondContact O-OG1 3.36Å; R19-T23 VanDerWaalsContact O-OG1 3.07Å; L20-T23 PolarHBondContact O-N 3.44Å; Y21-T23 VanDerWaalsContact C-N 3.32Å; Y21-T23 PolarHBondContact O-N 3.32Å; T23-Y25 VanDerWaalsContact C-N 3.27Å; T23-Y25 PolarHBondContact O-N 3.07Å; T23-V26 PolarHBondContact O-N 3.2Å; T23-I27 HydrophobicContact CG2-CD1 3.83Å; T23-I27 WeakPolarHBondContact O-CD1 3.39Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 2.9Å; T23-Q48 PolarHBondContact OG1-OE1 3.28Å; T23-A59 HydrophobicContact CG2-CB 4.06Å; T23-V60 HydrophobicContact CG2-CG2 3.53Å
24H89.5Confident86.3Confident99 Ų9970.5 Ų70.546%0.45834%0.339SS..Hα-helixtrans-59.8-39.4175.4-75.399.4000112.2L20 Y21 I27 M28L20-H24 PolarHBondContact O-N 3.37Å; L20-H24 PolarHBondContact O-ND1 2.95Å; Y21-H24 PolarHBondContact O-N 3.22Å; H24-I27 PolarHBondContact O-N 3.05Å; H24-M28 WeakPolarHBondContact O-CB 3.36Å; H24-M28 PolarHBondContact O-N 2.72Å
25Y89.3Confident86.6Confident78 Ų7870.8 Ų70.831%0.30633%0.334SS..Hα-helixtrans-63.2-44.9176.7-172.5-104.2000111.8V7 Y21 A22 T23 I27 M28 L29V7-Y25 HydrophobicContact CG2-CD1 4.13Å; V7-Y25 HydrophobicContact CG2-CE1 4.22Å; Y21-Y25 WeakPolarHBondContact O-CB 3.48Å; Y21-Y25 PolarHBondContact O-N 2.88Å; A22-Y25 WeakPolarHBondContact O-CB 3.28Å; A22-Y25 PolarHBondContact O-N 3.22Å; T23-Y25 VanDerWaalsContact C-N 3.27Å; T23-Y25 PolarHBondContact O-N 3.07Å; Y25-I27 PolarHBondContact O-N 3.4Å; Y25-M28 HydrophobicContact CD2-CE 3.76Å; Y25-M28 HydrophobicContact CE2-CE 4.22Å; Y25-M28 WeakPolarHBondContact O-CB 3.29Å; Y25-M28 PolarHBondContact O-N 3.33Å; Y25-L29 HydrophobicContact CD1-CD1 3.9Å; Y25-L29 HydrophobicContact CD1-CG 4.29Å; Y25-L29 HydrophobicContact CE1-CD1 3.61Å; Y25-L29 HydrophobicContact CE1-CD2 4.25Å; Y25-L29 HydrophobicContact CE1-CG 4.06Å; Y25-L29 WeakPolarHBondContact O-CG 3.26Å; Y25-L29 PolarHBondContact O-N 3.24Å
26V88.6Confident86.2Confident0 Ų072.2 Ų72.20%034%0.337CS..Hα-helixtrans-63.6-41175.8173.90000111.6V7 F11 A22 T23 M28 L29 G30 F37 W40 V44 L45V7-V26 HydrophobicContact CG1-CG2 3.39Å; V7-V26 HydrophobicContact CG2-CG2 4.43Å; F11-V26 HydrophobicContact CE2-CG2 3.9Å; F11-V26 HydrophobicContact CZ-CG2 3.84Å; A22-V26 WeakPolarHBondContact O-CG2 3.4Å; A22-V26 PolarHBondContact O-N 3.2Å; T23-V26 PolarHBondContact O-N 3.2Å; V26-M28 VanDerWaalsContact C-N 3.3Å; V26-M28 PolarHBondContact O-N 2.84Å; V26-L29 PolarHBondContact O-N 3.21Å; V26-G30 PolarHBondContact O-N 3.26Å; V26-F37 HydrophobicContact CG1-CE2 3.88Å; V26-F37 HydrophobicContact CG1-CZ 3.91Å; V26-F37 WeakPolarHBondContact O-CE2 3.36Å; V26-F37 WeakPolarHBondContact O-CZ 3.35Å; V26-W40 HydrophobicContact CG1-CZ3 4.38Å; V26-V44 HydrophobicContact CG1-CG1 4.13Å; V26-V44 HydrophobicContact CG2-CG1 4.04Å; V26-L45 HydrophobicContact CB-CD2 4.37Å; V26-L45 HydrophobicContact CG1-CD1 4.35Å; V26-L45 HydrophobicContact CG1-CD2 3.86Å; V26-L45 HydrophobicContact CG1-CG 3.87Å
27I87.1Confident85.8Confident9 Ų969.6 Ų69.65%0.04633%0.325CS..Hα-helixtrans-60.2-43.1174.5-67161.3000110.6T23 H24 Y25 G30 Q31 L45 A59T23-I27 HydrophobicContact CG2-CD1 3.83Å; T23-I27 WeakPolarHBondContact O-CD1 3.39Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 2.9Å; H24-I27 PolarHBondContact O-N 3.05Å; Y25-I27 PolarHBondContact O-N 3.4Å; I27-G30 PolarHBondContact O-N 2.82Å; I27-Q31 WeakPolarHBondContact O-CG 3.46Å; I27-Q31 PolarHBondContact O-N 3.32Å; I27-L45 HydrophobicContact CG1-CD2 3.94Å; I27-A59 WeakPolarHBondContact CD1-O 3.48Å
28M86.4Confident85.2Confident89 Ų8965.1 Ų65.144%0.43831%0.313SS..Hα-helixtrans-61.3-44175.3-172.5-141.2-5400111.4H24 Y25 V26 G30 Q31 M32H24-M28 WeakPolarHBondContact O-CB 3.36Å; H24-M28 PolarHBondContact O-N 2.72Å; Y25-M28 HydrophobicContact CD2-CE 3.76Å; Y25-M28 HydrophobicContact CE2-CE 4.22Å; Y25-M28 WeakPolarHBondContact O-CB 3.29Å; Y25-M28 PolarHBondContact O-N 3.33Å; V26-M28 VanDerWaalsContact C-N 3.3Å; V26-M28 PolarHBondContact O-N 2.84Å; M28-G30 VanDerWaalsContact C-N 3.26Å; M28-G30 PolarHBondContact O-N 2.91Å; M28-Q31 WeakPolarHBondContact O-CA 3.36Å; M28-Q31 WeakPolarHBondContact O-CB 3.34Å; M28-Q31 PolarHBondContact O-N 3.23Å; M28-M32 VanDerWaalsContact O-CG 3.3Å; M28-M32 WeakPolarHBondContact O-CG 3.46Å; M28-M32 PolarHBondContact O-N 2.9Å
29L85.6Confident84.6Confident17 Ų1769.4 Ų69.49%0.08933%0.331CS..Hα-helixtrans-60.2-37.8175.3-66176.1000111.9V3 Y25 V26 M32 R33 V34 F37 W40V3-L29 HydrophobicContact CG1-CD1 3.57Å; Y25-L29 HydrophobicContact CD1-CD1 3.9Å; Y25-L29 HydrophobicContact CD1-CG 4.29Å; Y25-L29 HydrophobicContact CE1-CD1 3.61Å; Y25-L29 HydrophobicContact CE1-CD2 4.25Å; Y25-L29 HydrophobicContact CE1-CG 4.06Å; Y25-L29 WeakPolarHBondContact O-CG 3.26Å; Y25-L29 PolarHBondContact O-N 3.24Å; V26-L29 PolarHBondContact O-N 3.21Å; L29-M32 PolarHBondContact O-N 3.05Å; L29-R33 PolarHBondContact O-N 3.42Å; L29-V34 HydrophobicContact CB-CG2 4.12Å; L29-V34 HydrophobicContact CD2-CG2 4.04Å; L29-V34 WeakPolarHBondContact O-CG2 3.07Å; L29-V34 PolarHBondContact O-N 3.48Å; L29-F37 HydrophobicContact CB-CD2 4.22Å; L29-F37 HydrophobicContact CB-CE2 4.06Å; L29-W40 HydrophobicContact CB-CH2 4.37Å; L29-W40 HydrophobicContact CD1-CH2 3.7Å; L29-W40 HydrophobicContact CD1-CZ2 4.47Å
30G81.2Confident84.2Confident10 Ų1070.1 Ų70.110%0.10333%0.333CS..Hα-helixtrans-63.3-41.6172.300000112.7V26 I27 M28 M32 R33 F37V26-G30 PolarHBondContact O-N 3.26Å; I27-G30 PolarHBondContact O-N 2.82Å; M28-G30 VanDerWaalsContact C-N 3.26Å; M28-G30 PolarHBondContact O-N 2.91Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 2.88Å; G30-R33 PolarHBondContact O-N 3.43Å; G30-R33 VanDerWaalsContact O-N 3.14Å; G30-F37 VanDerWaalsContact N-CE2 3.33Å
31Q80.7Confident83.9Confident94 Ų9467.8 Ų67.844%0.43932%0.321SS..Hα-helixtrans-63.5-35.7174.8-73.1169.8-900112.9I27 M28 R33 L68I27-Q31 WeakPolarHBondContact O-CG 3.46Å; I27-Q31 PolarHBondContact O-N 3.32Å; M28-Q31 WeakPolarHBondContact O-CA 3.36Å; M28-Q31 WeakPolarHBondContact O-CB 3.34Å; M28-Q31 PolarHBondContact O-N 3.23Å; Q31-R33 PolarHBondContact O-N 3.39Å; Q31-L68 VanDerWaalsContact CA-CD1 3.43Å; Q31-L68 HydrophobicContact CB-CD1 4.07Å; Q31-L68 HydrophobicContact CG-CD1 3.54Å
32M81.1Confident83.5Confident139 Ų13961.3 Ų61.369%0.68530%0.297SS*.THydrogen-bonded Turntrans-75.4-0.4176.6-65.8-61.5-68.900113.4M28 L29 G30 V34M28-M32 VanDerWaalsContact O-CG 3.3Å; M28-M32 WeakPolarHBondContact O-CG 3.46Å; M28-M32 PolarHBondContact O-N 2.9Å; L29-M32 PolarHBondContact O-N 3.05Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 2.88Å; M32-V34 VanDerWaalsContact C-N 3.27Å; M32-V34 HydrophobicContact CB-CG2 4.3Å; M32-V34 PolarHBondContact O-N 3.4Å
33R78.4Confident83Confident194 Ų19463.8 Ų63.873%0.73231%0.309SS*.THydrogen-bonded Turntrans52.444-178.8-58.2-176.4177.4-168.5-2112.7L29 G30 Q31 D35L29-R33 PolarHBondContact O-N 3.42Å; G30-R33 PolarHBondContact O-N 3.43Å; G30-R33 VanDerWaalsContact O-N 3.14Å; Q31-R33 PolarHBondContact O-N 3.39Å; R33-D35 PolarHBondContact O-N 3.23Å
34V79.7Confident82.8Confident51 Ų5163.9 Ų63.931%0.30931%0.31SS..  trans-56137.4175.9174.90000109.8L29 M32 H36 F37L29-V34 HydrophobicContact CB-CG2 4.12Å; L29-V34 HydrophobicContact CD2-CG2 4.04Å; L29-V34 WeakPolarHBondContact O-CG2 3.07Å; L29-V34 PolarHBondContact O-N 3.48Å; M32-V34 VanDerWaalsContact C-N 3.27Å; M32-V34 HydrophobicContact CB-CG2 4.3Å; M32-V34 PolarHBondContact O-N 3.4Å; V34-H36 PolarHBondContact O-N 3.04Å; V34-F37 WeakPolarHBondContact O-CB 3.4Å; V34-F37 PolarHBondContact O-N 3.47Å; V34-F37 VanDerWaalsContact O-N 3.13Å
35D79.9Confident82.7Confident133 Ų13359.1 Ų59.171%0.71129%0.288SS*.THydrogen-bonded Turntrans-54.8139.9179.5-58-40.6000111.1R33 F37R33-D35 PolarHBondContact O-N 3.23Å; D35-F37 PolarHBondContact O-N 3.31Å
36H80.2Confident82.3Confident126 Ų12655.6 Ų55.658%0.58327%0.274SS*.THydrogen-bonded Turntrans5716.6-179.3-51.9-81.8000115V34 A38 E39 W40V34-H36 PolarHBondContact O-N 3.04Å; H36-A38 PolarHBondContact O-N 2.85Å; H36-A38 VanDerWaalsContact O-N 3.12Å; H36-E39 IonicContact CE1-OE1 2.72Å; H36-E39 IonicContact CG-OE1 3.74Å; H36-E39 IonicContact ND1-OE1 3.65Å; H36-E39 PolarHBondContact ND1-OE1 3.02Å; H36-E39 WeakPolarHBondContact O-CB 2.98Å; H36-E39 PolarHBondContact O-N 2.76Å; H36-W40 PolarHBondContact O-NE1 2.93Å
37F81.3Confident82.1Confident23 Ų2359.4 Ų59.410%0.10130%0.295CS..Hα-helixtrans-53.9-35.4177.9-179.8-91.3000112.5V26 L29 G30 V34 D35 E39 W40 G41 I42 L45V26-F37 HydrophobicContact CG1-CE2 3.88Å; V26-F37 HydrophobicContact CG1-CZ 3.91Å; V26-F37 WeakPolarHBondContact O-CE2 3.36Å; V26-F37 WeakPolarHBondContact O-CZ 3.35Å; L29-F37 HydrophobicContact CB-CD2 4.22Å; L29-F37 HydrophobicContact CB-CE2 4.06Å; G30-F37 VanDerWaalsContact N-CE2 3.33Å; V34-F37 WeakPolarHBondContact O-CB 3.4Å; V34-F37 PolarHBondContact O-N 3.47Å; V34-F37 VanDerWaalsContact O-N 3.13Å; D35-F37 PolarHBondContact O-N 3.31Å; F37-E39 PolarHBondContact O-N 2.77Å; F37-W40 AromaticContact CD2-CH2 3.71Å; F37-W40 HydrophobicContact CD2-CH2 3.71Å; F37-W40 AromaticContact CD2-CZ2 3.61Å; F37-W40 HydrophobicContact CD2-CZ2 3.61Å; F37-W40 HydrophobicContact CD2-CZ3 4.46Å; F37-W40 AromaticContact CE2-CH2 3.84Å; F37-W40 HydrophobicContact CE2-CH2 3.84Å; F37-W40 HydrophobicContact CE2-CZ2 4.23Å; F37-W40 HydrophobicContact CE2-CZ3 4.33Å; F37-W40 PolarHBondContact O-N 3.32Å; F37-G41 WeakPolarHBondContact O-CA 3.34Å; F37-G41 PolarHBondContact O-N 3.29Å; F37-I42 HydrophobicContact CE1-CD1 4.46Å; F37-L45 HydrophobicContact CE1-CD1 4.45Å; F37-L45 HydrophobicContact CZ-CD1 4.13Å
38A75.4Confident82.1Confident52 Ų5259.6 Ų59.643%0.4330%0.296SS..Hα-helixtrans-60.5-31.2179.400000113.4H36 I42H36-A38 PolarHBondContact O-N 2.85Å; H36-A38 VanDerWaalsContact O-N 3.12Å; A38-I42 WeakPolarHBondContact O-CG1 3.19Å
39E76.6Confident82Confident118 Ų11855.5 Ų55.555%0.55128%0.275SS*.Hα-helixtrans-76.2-36.4-174.8-66.2169.9-149.300112.7H36 F37 N43H36-E39 IonicContact CE1-OE1 2.72Å; H36-E39 IonicContact CG-OE1 3.74Å; H36-E39 IonicContact ND1-OE1 3.65Å; H36-E39 PolarHBondContact ND1-OE1 3.02Å; H36-E39 WeakPolarHBondContact O-CB 2.98Å; H36-E39 PolarHBondContact O-N 2.76Å; F37-E39 PolarHBondContact O-N 2.77Å; E39-N43 PolarHBondContact O-ND2 2.63Å
40W85Confident81.9Confident38 Ų3857 Ų5714%0.14428%0.283CS..Hα-helixtrans-114.3-41.6-176.864.2-92.3000112.8V3 P4 V26 L29 H36 F37 I42 N43 V44V3-W40 HydrophobicContact CG1-CH2 4.43Å; P4-W40 HydrophobicContact CG-CD2 4.43Å; P4-W40 HydrophobicContact CG-CG 4.47Å; V26-W40 HydrophobicContact CG1-CZ3 4.38Å; L29-W40 HydrophobicContact CB-CH2 4.37Å; L29-W40 HydrophobicContact CD1-CH2 3.7Å; L29-W40 HydrophobicContact CD1-CZ2 4.47Å; H36-W40 PolarHBondContact O-NE1 2.93Å; F37-W40 AromaticContact CD2-CH2 3.71Å; F37-W40 HydrophobicContact CD2-CH2 3.71Å; F37-W40 AromaticContact CD2-CZ2 3.61Å; F37-W40 HydrophobicContact CD2-CZ2 3.61Å; F37-W40 HydrophobicContact CD2-CZ3 4.46Å; F37-W40 AromaticContact CE2-CH2 3.84Å; F37-W40 HydrophobicContact CE2-CH2 3.84Å; F37-W40 HydrophobicContact CE2-CZ2 4.23Å; F37-W40 HydrophobicContact CE2-CZ3 4.33Å; F37-W40 PolarHBondContact O-N 3.32Å; W40-I42 PolarHBondContact O-N 3.32Å; W40-N43 WeakPolarHBondContact O-CB 3.24Å; W40-N43 PolarHBondContact O-N 3.47Å; W40-V44 HydrophobicContact CE3-CG2 4.32Å; W40-V44 WeakPolarHBondContact O-CG2 3.48Å; W40-V44 PolarHBondContact O-N 3.26Å
41G85.1Confident82.3Confident0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-66.1-37.3-174.500000112.9F37 V44 L45F37-G41 WeakPolarHBondContact O-CA 3.34Å; F37-G41 PolarHBondContact O-N 3.29Å; G41-V44 PolarHBondContact O-N 3.21Å; G41-L45 WeakPolarHBondContact O-CB 3.45Å; G41-L45 VanDerWaalsContact O-CG 3.3Å; G41-L45 WeakPolarHBondContact O-CG 3.48Å; G41-L45 PolarHBondContact O-N 3.07Å
42I80Confident82.7Confident14 Ų1459 Ų597%0.07230%0.304CS..Hα-helixtrans-67.2-39.3175.5-60.8-61.6000111.4F37 A38 W40 L45 T46 W65 L69 A109F37-I42 HydrophobicContact CE1-CD1 4.46Å; A38-I42 WeakPolarHBondContact O-CG1 3.19Å; W40-I42 PolarHBondContact O-N 3.32Å; I42-L45 PolarHBondContact O-N 2.96Å; I42-T46 WeakPolarHBondContact O-CB 3.46Å; I42-T46 PolarHBondContact O-N 3.16Å; I42-T46 PolarHBondContact O-OG1 3.01Å; I42-W65 HydrophobicContact CD1-CE3 3.99Å; I42-W65 HydrophobicContact CD1-CZ3 3.99Å; I42-L69 HydrophobicContact CD1-CD1 3.71Å; I42-A109 HydrophobicContact CG2-CB 4.11Å
43N81.2Confident83.2Confident56 Ų5652.8 Ų52.830%0.29927%0.274SS..Hα-helixtrans-62.3-48.5176.2-63.1-25.8000110.1E39 W40 L45 T46 D47 R112E39-N43 PolarHBondContact O-ND2 2.63Å; W40-N43 WeakPolarHBondContact O-CB 3.24Å; W40-N43 PolarHBondContact O-N 3.47Å; N43-L45 PolarHBondContact O-N 3.21Å; N43-T46 WeakPolarHBondContact O-CB 3.48Å; N43-T46 PolarHBondContact O-N 3.24Å; N43-T46 VanDerWaalsContact O-N 3.16Å; N43-D47 PolarHBondContact O-N 3.34Å; N43-R112 PolarHBondContact OD1-NH1 3.48Å; N43-R112 PolarHBondContact OD1-NH2 3.39Å
44V86.5Confident83.7Confident1 Ų146.7 Ų46.71%0.00627%0.266CS..Hα-helixtrans-56.5-50.4176.9169.30000111.6V7 F8 F11 V26 W40 G41 T46 D47 Q48V7-V44 HydrophobicContact CG1-CG1 4.41Å; F8-V44 HydrophobicContact CD1-CG2 4.37Å; F8-V44 HydrophobicContact CE1-CG2 3.57Å; F8-V44 HydrophobicContact CE2-CG2 4.29Å; F8-V44 HydrophobicContact CZ-CG2 3.5Å; F8-V44 VanDerWaalsContact CZ-CG2 3.5Å; F11-V44 HydrophobicContact CD2-CG1 3.92Å; F11-V44 HydrophobicContact CE2-CG1 3.21Å; F11-V44 HydrophobicContact CZ-CG1 3.78Å; V26-V44 HydrophobicContact CG1-CG1 4.13Å; V26-V44 HydrophobicContact CG2-CG1 4.04Å; W40-V44 HydrophobicContact CE3-CG2 4.32Å; W40-V44 WeakPolarHBondContact O-CG2 3.48Å; W40-V44 PolarHBondContact O-N 3.26Å; G41-V44 PolarHBondContact O-N 3.21Å; V44-T46 VanDerWaalsContact C-N 3.3Å; V44-T46 PolarHBondContact O-N 3.28Å; V44-D47 PolarHBondContact O-N 3.14Å; V44-Q48 WeakPolarHBondContact O-CG 3.37Å; V44-Q48 PolarHBondContact O-N 3.34Å
45L86.7Confident84.3Confident0 Ų048.7 Ų48.70%027%0.271CS..Hα-helixtrans-65.2-34.6179-69173.7000112.3V26 I27 F37 G41 I42 N43 D47 Q48 L49 V60 W65V26-L45 HydrophobicContact CB-CD2 4.37Å; V26-L45 HydrophobicContact CG1-CD1 4.35Å; V26-L45 HydrophobicContact CG1-CD2 3.86Å; V26-L45 HydrophobicContact CG1-CG 3.87Å; I27-L45 HydrophobicContact CG1-CD2 3.94Å; F37-L45 HydrophobicContact CE1-CD1 4.45Å; F37-L45 HydrophobicContact CZ-CD1 4.13Å; G41-L45 WeakPolarHBondContact O-CB 3.45Å; G41-L45 VanDerWaalsContact O-CG 3.3Å; G41-L45 WeakPolarHBondContact O-CG 3.48Å; G41-L45 PolarHBondContact O-N 3.07Å; I42-L45 PolarHBondContact O-N 2.96Å; N43-L45 PolarHBondContact O-N 3.21Å; L45-D47 VanDerWaalsContact C-N 3.33Å; L45-Q48 PolarHBondContact O-N 3.36Å; L45-L49 PolarHBondContact O-N 3.47Å; L45-L49 VanDerWaalsContact O-N 3.09Å; L45-V60 HydrophobicContact CB-CG1 4.28Å; L45-V60 HydrophobicContact CD2-CG1 4.35Å; L45-V60 HydrophobicContact CD2-CG2 4.33Å; L45-W65 HydrophobicContact CB-CZ2 4.48Å; L45-W65 HydrophobicContact CD1-CB 4.07Å; L45-W65 HydrophobicContact CD1-CD2 3.78Å; L45-W65 HydrophobicContact CD1-CE3 4.22Å; L45-W65 HydrophobicContact CD1-CG 3.72Å
46T80.9Confident84.7Confident4 Ų442.3 Ų42.33%0.02524%0.237CC..Hα-helixtrans-66.1-38.1175.3-54.80000111.4I42 N43 V44 Q48 L49 R112 V113I42-T46 WeakPolarHBondContact O-CB 3.46Å; I42-T46 PolarHBondContact O-N 3.16Å; I42-T46 PolarHBondContact O-OG1 3.01Å; N43-T46 WeakPolarHBondContact O-CB 3.48Å; N43-T46 PolarHBondContact O-N 3.24Å; N43-T46 VanDerWaalsContact O-N 3.16Å; V44-T46 VanDerWaalsContact C-N 3.3Å; V44-T46 PolarHBondContact O-N 3.28Å; T46-Q48 VanDerWaalsContact C-N 3.33Å; T46-L49 WeakPolarHBondContact O-CB 3.33Å; T46-L49 PolarHBondContact O-N 3.39Å; T46-R112 HydrophobicContact CG2-CG 4.17Å; T46-V113 HydrophobicContact CG2-CG2 4.28Å
47D85.5Confident85Confident80 Ų8036.6 Ų36.643%0.42821%0.211SC..Hα-helixtrans-65.8-39.3174.2-66.2-21.7000110.9N43 V44 L45 L49 N50N43-D47 PolarHBondContact O-N 3.34Å; V44-D47 PolarHBondContact O-N 3.14Å; L45-D47 VanDerWaalsContact C-N 3.33Å; D47-L49 VanDerWaalsContact C-N 3.25Å; D47-L49 PolarHBondContact O-N 2.97Å; D47-N50 WeakPolarHBondContact O-CB 3.3Å; D47-N50 PolarHBondContact O-N 3.32Å
48Q87Confident85.3Confident13 Ų1340.5 Ų40.56%0.06123%0.23CC..Hα-helixtrans-66.1-22.6175.5-65.7-54.5-73.800113.5F11 T23 V44 L45 T46 N50 D51 V56 V57 V60F11-Q48 HydrophobicContact CD1-CG 4.08Å; F11-Q48 VanDerWaalsContact CD1-OE1 3.23Å; F11-Q48 HydrophobicContact CE1-CG 3.71Å; F11-Q48 VanDerWaalsContact CE1-OE1 3.3Å; F11-Q48 HydrophobicContact CZ-CG 4.1Å; T23-Q48 PolarHBondContact OG1-OE1 3.28Å; V44-Q48 WeakPolarHBondContact O-CG 3.37Å; V44-Q48 PolarHBondContact O-N 3.34Å; L45-Q48 PolarHBondContact O-N 3.36Å; T46-Q48 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 3.44Å; Q48-D51 WeakPolarHBondContact O-CB 3.45Å; Q48-D51 PolarHBondContact O-N 3.22Å; Q48-D51 VanDerWaalsContact O-N 3.16Å; Q48-V56 HydrophobicContact CB-CG1 4.36Å; Q48-V56 VanDerWaalsContact OE1-CG1 3.24Å; Q48-V57 WeakPolarHBondContact O-CG2 3.46Å; Q48-V60 HydrophobicContact CB-CG2 3.5Å; Q48-V60 VanDerWaalsContact CB-CG2 3.5Å
49L83.7Confident86Confident3 Ų338.3 Ų38.32%0.01621%0.212CC..THydrogen-bonded Turntrans-67.4-12.9169.8-69.3173.6000113.2L45 T46 D47 V57 V60 I61 W66 V113 I122L45-L49 PolarHBondContact O-N 3.47Å; L45-L49 VanDerWaalsContact O-N 3.09Å; T46-L49 WeakPolarHBondContact O-CB 3.33Å; T46-L49 PolarHBondContact O-N 3.39Å; D47-L49 VanDerWaalsContact C-N 3.25Å; D47-L49 PolarHBondContact O-N 2.97Å; L49-V57 HydrophobicContact CD2-CG1 4.31Å; L49-V60 HydrophobicContact CD2-CB 3.94Å; L49-V60 HydrophobicContact CD2-CG1 3.55Å; L49-V60 HydrophobicContact CG-CG1 3.87Å; L49-I61 HydrophobicContact CD2-CG1 4.08Å; L49-W66 HydrophobicContact CD1-CZ2 4.41Å; L49-V113 HydrophobicContact CD1-CG2 4.22Å; L49-I122 HydrophobicContact CD2-CD1 4.16Å
50N84.5Confident86.4Confident47 Ų4732.7 Ų32.725%0.25119%0.186SC..THydrogen-bonded Turntrans-104.510.4174.8-65.2-47.3000112.9D47 Q48 Q116 C117 N118D47-N50 WeakPolarHBondContact O-CB 3.3Å; D47-N50 PolarHBondContact O-N 3.32Å; Q48-N50 PolarHBondContact O-N 3.44Å; N50-Q116 PolarHBondContact OD1-O 2.99Å; N50-Q116 VanDerWaalsContact OD1-O 3.06Å; N50-C117 VanDerWaalsContact OD1-CA 3.26Å; N50-C117 WeakPolarHBondContact OD1-CA 3.32Å; N50-N118 PolarHBondContact OD1-N 3.32Å
51D88.8Confident86.2Confident29 Ų2933.9 Ų33.916%0.15519%0.194CC..  trans-62.2152176.8-157.6-78.4000111.5R19 Q48 S53 V56 V57R19-D51 WeakPolarHBondContact CD-OD2 3.41Å; R19-D51 IonicContact CZ-OD1 3.83Å; R19-D51 IonicContact CZ-OD2 2.83Å; R19-D51 IonicContact NE-OD1 2.77Å; R19-D51 PolarHBondContact NE-OD1 3.39Å; R19-D51 IonicContact NE-OD2 3.92Å; R19-D51 PolarHBondContact NE-OD2 2.66Å; R19-D51 IonicContact NH2-OD1 2.93Å; R19-D51 PolarHBondContact NH2-OD1 2.93Å; R19-D51 IonicContact NH2-OD2 3.61Å; Q48-D51 WeakPolarHBondContact O-CB 3.45Å; Q48-D51 PolarHBondContact O-N 3.22Å; Q48-D51 VanDerWaalsContact O-N 3.16Å; D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 WeakPolarHBondContact OD1-CB 3.2Å; D51-S53 PolarHBondContact OD1-N 2.74Å; D51-V56 HydrophobicContact CB-CB 4.05Å; D51-V56 HydrophobicContact CB-CG1 3.75Å; D51-V57 HydrophobicContact CB-CG2 4.06Å
52S89.9Confident86Confident117 Ų11740.1 Ų40.182%0.81822%0.223SC*.SBendtrans-75.8-22.9176.655.10000113
53S91.3Very high85.7Confident9 Ų939.9 Ų39.96%0.06322%0.224CC..  trans-83.9124.2176.4165.40000110.9Q16 D51 E55 V56 V57Q16-S53 WeakPolarHBondContact CG-OG 3.34Å; Q16-S53 PolarHBondContact NE2-OG 3.49Å; D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 WeakPolarHBondContact OD1-CB 3.2Å; D51-S53 PolarHBondContact OD1-N 2.74Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 PolarHBondContact OG-N 3.49Å; S53-E55 PolarHBondContact OG-OE2 3.34Å; S53-V56 PolarHBondContact O-N 3.2Å; S53-V56 PolarHBondContact OG-N 2.94Å; S53-V57 WeakPolarHBondContact O-CG2 3.35Å; S53-V57 PolarHBondContact O-N 3.09Å
54A89Confident84.8Confident67 Ų6742.3 Ų42.355%0.55423%0.234SC*.Hα-helixtrans-61-36.1175.300000111.7V57 E58A54-V57 PolarHBondContact O-N 3.1Å; A54-E58 VanDerWaalsContact O-CB 3.24Å; A54-E58 WeakPolarHBondContact O-CB 3.27Å; A54-E58 PolarHBondContact O-N 2.8Å
55E90.8Very high83.7Confident92 Ų9242.7 Ų42.743%0.4324%0.235SC..Hα-helixtrans-67.8-38-179.3-5882.1170.700111.9Q16 L20 S53 A59Q16-E55 PolarHBondContact NE2-OE2 2.76Å; L20-E55 WeakPolarHBondContact CD1-O 3.35Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 PolarHBondContact OG-N 3.49Å; S53-E55 PolarHBondContact OG-OE2 3.34Å; E55-A59 WeakPolarHBondContact O-CB 3.29Å; E55-A59 PolarHBondContact O-N 3.4Å
56V90.1Very high82.5Confident0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-64.9-46.1173.9174.20000110R19 L20 Q48 D51 S53 A59 V60R19-V56 HydrophobicContact CB-CG2 4.09Å; L20-V56 HydrophobicContact CB-CG2 4.21Å; L20-V56 HydrophobicContact CD1-CG2 4.39Å; Q48-V56 HydrophobicContact CB-CG1 4.36Å; Q48-V56 VanDerWaalsContact OE1-CG1 3.24Å; D51-V56 HydrophobicContact CB-CB 4.05Å; D51-V56 HydrophobicContact CB-CG1 3.75Å; S53-V56 PolarHBondContact O-N 3.2Å; S53-V56 PolarHBondContact OG-N 2.94Å; V56-A59 PolarHBondContact O-N 2.89Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.41Å; V56-V60 VanDerWaalsContact O-N 3.07Å
57V86.5Confident81.2Confident6 Ų644.5 Ų44.54%0.03625%0.245CC..Hα-helixtrans-65.8-41.7179.5179.30000111.1Q48 L49 D51 S53 A54 V60 I61 M119Q48-V57 WeakPolarHBondContact O-CG2 3.46Å; L49-V57 HydrophobicContact CD2-CG1 4.31Å; D51-V57 HydrophobicContact CB-CG2 4.06Å; S53-V57 WeakPolarHBondContact O-CG2 3.35Å; S53-V57 PolarHBondContact O-N 3.09Å; A54-V57 PolarHBondContact O-N 3.1Å; V57-V60 WeakPolarHBondContact O-CB 3.17Å; V57-V60 PolarHBondContact O-N 3.09Å; V57-I61 HydrophobicContact CG1-CD1 3.86Å; V57-I61 HydrophobicContact CG1-CG1 4.44Å; V57-I61 VanDerWaalsContact O-CG1 3.27Å; V57-I61 WeakPolarHBondContact O-CG1 3.18Å; V57-I61 PolarHBondContact O-N 3.06Å; V57-M119 HydrophobicContact CB-SD 4.42Å; V57-M119 HydrophobicContact CG1-CE 4.47Å; V57-M119 HydrophobicContact CG1-CG 4.46Å; V57-M119 HydrophobicContact CG1-SD 3.29Å; V57-M119 WeakPolarHBondContact CG1-SD 3.4Å
58E87.7Confident79.5Confident105 Ų10543.1 Ų43.149%0.49124%0.237SC..Hα-helixtrans-60.1-45.4174.1-174.5168.8-14700110.9A54 V60 I61 E62A54-E58 VanDerWaalsContact O-CB 3.24Å; A54-E58 WeakPolarHBondContact O-CB 3.27Å; A54-E58 PolarHBondContact O-N 2.8Å; E58-V60 VanDerWaalsContact C-N 3.29Å; E58-V60 PolarHBondContact O-N 2.69Å; E58-I61 PolarHBondContact O-N 3.16Å; E58-E62 HydrophobicContact CG-CG 3.99Å; E58-E62 WeakPolarHBondContact O-CB 3.16Å; E58-E62 WeakPolarHBondContact O-CG 3.41Å; E58-E62 PolarHBondContact O-N 3.44Å
59A88.6Confident77.9Confident6 Ų644 Ų445%0.0524%0.242CC..Hα-helixtrans-59.2-38.4175.300000112.6L20 T23 I27 E55 V56 G63L20-A59 HydrophobicContact CD1-CB 3.61Å; T23-A59 HydrophobicContact CG2-CB 4.06Å; I27-A59 WeakPolarHBondContact CD1-O 3.48Å; E55-A59 WeakPolarHBondContact O-CB 3.29Å; E55-A59 PolarHBondContact O-N 3.4Å; V56-A59 PolarHBondContact O-N 2.89Å; A59-G63 WeakPolarHBondContact O-CA 3.44Å; A59-G63 PolarHBondContact O-N 2.73Å
60V86.2Confident76.2Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-63.3-50.1171.1-178.40000110T23 L45 Q48 L49 V56 V57 E58 E62 G63 W65T23-V60 HydrophobicContact CG2-CG2 3.53Å; L45-V60 HydrophobicContact CB-CG1 4.28Å; L45-V60 HydrophobicContact CD2-CG1 4.35Å; L45-V60 HydrophobicContact CD2-CG2 4.33Å; Q48-V60 HydrophobicContact CB-CG2 3.5Å; Q48-V60 VanDerWaalsContact CB-CG2 3.5Å; L49-V60 HydrophobicContact CD2-CB 3.94Å; L49-V60 HydrophobicContact CD2-CG1 3.55Å; L49-V60 HydrophobicContact CG-CG1 3.87Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.41Å; V56-V60 VanDerWaalsContact O-N 3.07Å; V57-V60 WeakPolarHBondContact O-CB 3.17Å; V57-V60 PolarHBondContact O-N 3.09Å; E58-V60 VanDerWaalsContact C-N 3.29Å; E58-V60 PolarHBondContact O-N 2.69Å; V60-E62 PolarHBondContact O-N 2.92Å; V60-G63 PolarHBondContact O-N 3.48Å; V60-W65 HydrophobicContact CG1-CZ2 3.75Å; V60-W65 PolarHBondContact O-NE1 3.27Å
61I80.5Confident74.3Confident63 Ų6349.7 Ų49.732%0.32326%0.261SS..Hα-helixtrans-62.9-45.2-176.6-64.7162.2000112.1L49 V57 E58 G63 M119 I122L49-I61 HydrophobicContact CD2-CG1 4.08Å; V57-I61 HydrophobicContact CG1-CD1 3.86Å; V57-I61 HydrophobicContact CG1-CG1 4.44Å; V57-I61 VanDerWaalsContact O-CG1 3.27Å; V57-I61 WeakPolarHBondContact O-CG1 3.18Å; V57-I61 PolarHBondContact O-N 3.06Å; E58-I61 PolarHBondContact O-N 3.16Å; I61-G63 VanDerWaalsContact C-N 3.31Å; I61-M119 HydrophobicContact CD1-SD 4.3Å; I61-I122 HydrophobicContact CD1-CD1 3.57Å; I61-I122 HydrophobicContact CD1-CG1 4.45Å; I61-I122 HydrophobicContact CG1-CD1 3.92Å
62E81.6Confident72.1Confident130 Ų13053 Ų5361%0.60729%0.287SS*.Hα-helixtrans-69.4-32.9178.2-70.4-161.8145.900112E58 V60 Q64E58-E62 HydrophobicContact CG-CG 3.99Å; E58-E62 WeakPolarHBondContact O-CB 3.16Å; E58-E62 WeakPolarHBondContact O-CG 3.41Å; E58-E62 PolarHBondContact O-N 3.44Å; V60-E62 PolarHBondContact O-N 2.92Å; E62-Q64 PolarHBondContact O-N 3.42Å
63G72.9Confident69.8Low9 Ų948.6 Ų48.69%0.09325%0.254CS..SBendtrans-44116.817200000109.6A59 V60 I61 W65A59-G63 WeakPolarHBondContact O-CA 3.44Å; A59-G63 PolarHBondContact O-N 2.73Å; V60-G63 PolarHBondContact O-N 3.48Å; I61-G63 VanDerWaalsContact C-N 3.31Å; G63-W65 PolarHBondContact O-N 3.26Å
64Q62.1Low67.4Low108 Ų10851.8 Ų51.851%0.50528%0.276SS..THydrogen-bonded Turntrans-64.511.3179.4-69.4-153.69.600113E62 W66 T67 L68E62-Q64 PolarHBondContact O-N 3.42Å; Q64-W66 VanDerWaalsContact C-N 3.27Å; Q64-W66 PolarHBondContact O-N 3.47Å; Q64-T67 CarbonylContact O-C 3.52Å; Q64-T67 WeakPolarHBondContact O-CA 3.48Å; Q64-T67 WeakPolarHBondContact O-CB 3.2Å; Q64-T67 PolarHBondContact O-N 2.93Å; Q64-L68 PolarHBondContact O-N 3.49Å
65W63.5Low64.9Low8 Ų852.7 Ų52.73%0.0328%0.278CS..Hα-helixtrans-61.1-35.7174.372.4-88.6000111.8I42 L45 V60 G63 T67 L68 L69I42-W65 HydrophobicContact CD1-CE3 3.99Å; I42-W65 HydrophobicContact CD1-CZ3 3.99Å; L45-W65 HydrophobicContact CB-CZ2 4.48Å; L45-W65 HydrophobicContact CD1-CB 4.07Å; L45-W65 HydrophobicContact CD1-CD2 3.78Å; L45-W65 HydrophobicContact CD1-CE3 4.22Å; L45-W65 HydrophobicContact CD1-CG 3.72Å; V60-W65 HydrophobicContact CG1-CZ2 3.75Å; V60-W65 PolarHBondContact O-NE1 3.27Å; G63-W65 PolarHBondContact O-N 3.26Å; W65-T67 VanDerWaalsContact C-N 3.3Å; W65-T67 PolarHBondContact O-N 3.23Å; W65-L68 PolarHBondContact O-N 3.12Å; W65-L68 VanDerWaalsContact O-N 3.1Å; W65-L69 WeakPolarHBondContact O-CB 3.5Å; W65-L69 PolarHBondContact O-N 3.45Å
66W60.7Low62.5Low16 Ų1656 Ų566%0.06129%0.291CS..Hα-helixtrans-56.8-52.3165.6-67.5112.2000108.6L49 Q64 L68 L69 F70 F86 V113L49-W66 HydrophobicContact CD1-CZ2 4.41Å; Q64-W66 VanDerWaalsContact C-N 3.27Å; Q64-W66 PolarHBondContact O-N 3.47Å; W66-L68 PolarHBondContact O-N 3.01Å; W66-L68 VanDerWaalsContact O-N 3.09Å; W66-L69 CarbonylContact O-C 3.43Å; W66-L69 WeakPolarHBondContact O-CB 3.34Å; W66-L69 PolarHBondContact O-N 3.04Å; W66-L69 VanDerWaalsContact O-N 3.16Å; W66-F70 HydrophobicContact CB-CD2 4.08Å; W66-F70 HydrophobicContact CB-CE2 3.91Å; W66-F70 HydrophobicContact CD2-CE2 4.46Å; W66-F70 AromaticContact CE3-CE2 3.79Å; W66-F70 HydrophobicContact CE3-CE2 3.79Å; W66-F70 HydrophobicContact CE3-CZ 4.24Å; W66-F70 WeakPolarHBondContact O-CB 3.49Å; W66-F70 WeakPolarHBondContact O-CD2 3.45Å; W66-F70 WeakPolarHBondContact O-CE2 3.37Å; W66-F70 VanDerWaalsContact O-CG 3.31Å; W66-F70 WeakPolarHBondContact O-CG 3.26Å; W66-F70 PolarHBondContact O-N 3.01Å; W66-F86 HydrophobicContact CH2-CE1 4.48Å; W66-F86 HydrophobicContact CZ2-CZ 4.32Å; W66-V113 HydrophobicContact CH2-CG2 4.45Å
67T53.8Low60Low27 Ų2761.3 Ų61.317%0.16633%0.327CS..Hα-helixtrans-57.9-23.7176.5-58.80000113.6Q64 W65 F70 Y71 K85Q64-T67 CarbonylContact O-C 3.52Å; Q64-T67 WeakPolarHBondContact O-CA 3.48Å; Q64-T67 WeakPolarHBondContact O-CB 3.2Å; Q64-T67 PolarHBondContact O-N 2.93Å; W65-T67 VanDerWaalsContact C-N 3.3Å; W65-T67 PolarHBondContact O-N 3.23Å; T67-F70 CarbonylContact O-C 3.42Å; T67-Y71 HydrophobicContact CG2-CD2 3.71Å; T67-Y71 HydrophobicContact CG2-CE2 4.11Å; T67-Y71 WeakPolarHBondContact O-CA 3.5Å; T67-Y71 WeakPolarHBondContact O-CB 3.21Å; T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; T67-Y71 PolarHBondContact O-N 3.13Å; T67-K85 WeakPolarHBondContact OG1-CE 3.36Å; T67-K85 PolarHBondContact OG1-NZ 3.01Å
68L50.6Low57.9Low51 Ų5168 Ų6827%0.26737%0.368SS..Hα-helixtrans-85.3-41.1173.3-70.1168.3000113.4Q31 Q64 W65 W66 F70 Y71 S72Q31-L68 VanDerWaalsContact CA-CD1 3.43Å; Q31-L68 HydrophobicContact CB-CD1 4.07Å; Q31-L68 HydrophobicContact CG-CD1 3.54Å; Q64-L68 PolarHBondContact O-N 3.49Å; W65-L68 PolarHBondContact O-N 3.12Å; W65-L68 VanDerWaalsContact O-N 3.1Å; W66-L68 PolarHBondContact O-N 3.01Å; W66-L68 VanDerWaalsContact O-N 3.09Å; L68-F70 PolarHBondContact O-N 2.86Å; L68-Y71 PolarHBondContact O-N 2.83Å; L68-S72 PolarHBondContact O-N 2.85Å
69L53.2Low55.1Low31 Ų3166.6 Ų66.616%0.16238%0.381CS..Hα-helixtrans-52.1-36.7165-143.494.8000109I42 W65 W66 L73 V106I42-L69 HydrophobicContact CD1-CD1 3.71Å; W65-L69 WeakPolarHBondContact O-CB 3.5Å; W65-L69 PolarHBondContact O-N 3.45Å; W66-L69 CarbonylContact O-C 3.43Å; W66-L69 WeakPolarHBondContact O-CB 3.34Å; W66-L69 PolarHBondContact O-N 3.04Å; W66-L69 VanDerWaalsContact O-N 3.16Å; L69-L73 WeakPolarHBondContact O-CD1 3.48Å; L69-V106 HydrophobicContact CD2-CB 4.5Å; L69-V106 HydrophobicContact CD2-CG1 4.14Å; L69-V106 HydrophobicContact CD2-CG2 3.78Å; L69-V106 HydrophobicContact CG-CG2 4.14Å
70F49Very low52.2Low24 Ų2469.7 Ų69.711%0.10541%0.414CS..Hα-helixtrans-93.1-19.7179.4-61.4-56.4000115.7W66 T67 L68 S72 L73 S74 Q89W66-F70 HydrophobicContact CB-CD2 4.08Å; W66-F70 HydrophobicContact CB-CE2 3.91Å; W66-F70 HydrophobicContact CD2-CE2 4.46Å; W66-F70 AromaticContact CE3-CE2 3.79Å; W66-F70 HydrophobicContact CE3-CE2 3.79Å; W66-F70 HydrophobicContact CE3-CZ 4.24Å; W66-F70 WeakPolarHBondContact O-CB 3.49Å; W66-F70 WeakPolarHBondContact O-CD2 3.45Å; W66-F70 WeakPolarHBondContact O-CE2 3.37Å; W66-F70 VanDerWaalsContact O-CG 3.31Å; W66-F70 WeakPolarHBondContact O-CG 3.26Å; W66-F70 PolarHBondContact O-N 3.01Å; T67-F70 CarbonylContact O-C 3.42Å; L68-F70 PolarHBondContact O-N 2.86Å; F70-S72 VanDerWaalsContact C-N 3.35Å; F70-L73 HydrophobicContact CD1-CD1 3.93Å; F70-L73 HydrophobicContact CE1-CD1 4.27Å; F70-L73 CarbonylContact O-C 3.21Å; F70-L73 WeakPolarHBondContact O-CA 3.39Å; F70-L73 WeakPolarHBondContact O-CB 3.19Å; F70-L73 PolarHBondContact O-N 3.35Å; F70-S74 WeakPolarHBondContact O-CB 3.39Å; F70-S74 PolarHBondContact O-N 2.95Å; F70-Q89 HydrophobicContact CD1-CG 3.89Å; F70-Q89 HydrophobicContact CD2-CG 4.37Å; F70-Q89 HydrophobicContact CE1-CB 3.89Å; F70-Q89 VanDerWaalsContact CE1-CD 3.41Å; F70-Q89 HydrophobicContact CE1-CG 3.28Å; F70-Q89 HydrophobicContact CE2-CG 3.92Å; F70-Q89 HydrophobicContact CG-CG 4.47Å; F70-Q89 HydrophobicContact CZ-CB 4.22Å; F70-Q89 HydrophobicContact CZ-CG 3.39Å
71Y44.5Very low49.7Very low145 Ų14579 Ų7957%0.56946%0.455SS*.Hα-helixtrans-75.2-30.2177-123-94.1000111.1T67 L68 L73 S75T67-Y71 HydrophobicContact CG2-CD2 3.71Å; T67-Y71 HydrophobicContact CG2-CE2 4.11Å; T67-Y71 WeakPolarHBondContact O-CA 3.5Å; T67-Y71 WeakPolarHBondContact O-CB 3.21Å; T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; T67-Y71 PolarHBondContact O-N 3.13Å; L68-Y71 PolarHBondContact O-N 2.83Å; Y71-L73 PolarHBondContact O-N 2.8Å; Y71-S75 PolarHBondContact O-OG 2.96Å
72S42Very low47.6Very low100 Ų10078.9 Ų78.970%0.69946%0.463SS*.Hα-helixtrans-59.9-25.8165.7-153.40000111.7L68 F70L68-S72 PolarHBondContact O-N 2.85Å; F70-S72 VanDerWaalsContact C-N 3.35Å
73L40.8Very low45.5Very low23 Ų2384.6 Ų84.612%0.1248%0.479CS..Hα-helixtrans-99.7-25.8-177-78.4161.4000115.6L69 F70 Y71 L101 L102L69-L73 WeakPolarHBondContact O-CD1 3.48Å; F70-L73 HydrophobicContact CD1-CD1 3.93Å; F70-L73 HydrophobicContact CE1-CD1 4.27Å; F70-L73 CarbonylContact O-C 3.21Å; F70-L73 WeakPolarHBondContact O-CA 3.39Å; F70-L73 WeakPolarHBondContact O-CB 3.19Å; F70-L73 PolarHBondContact O-N 3.35Å; Y71-L73 PolarHBondContact O-N 2.8Å; L73-L101 HydrophobicContact CD2-CB 3.76Å; L73-L101 WeakPolarHBondContact CD2-O 3.45Å; L73-L102 HydrophobicContact CD1-CD2 3.36Å; L73-L102 HydrophobicContact CD2-CD2 3.79Å; L73-L102 HydrophobicContact CD2-CG 4.49Å; L73-L102 HydrophobicContact CG-CD2 4.22Å
74S40.9Very low44Very low77 Ų7788.8 Ų88.854%0.53850%0.5SS..Hα-helixtrans-1074.2-165.5-174.10000114.4F70 K76F70-S74 WeakPolarHBondContact O-CB 3.39Å; F70-S74 PolarHBondContact O-N 2.95Å; S74-K76 PolarHBondContact O-N 3.19Å
75S36.5Very low43.3Very low85 Ų8588.8 Ų88.859%0.59450%0.498SS*.THydrogen-bonded Turntrans-64-16.4-174.2-60.30000114.3Y71Y71-S75 PolarHBondContact O-OG 2.96Å
76K40.9Very low42.4Very low162 Ų16290.3 Ų90.370%0.70451%0.505SS*.THydrogen-bonded Turntrans-155.759.9-174.4-63.6-173-179.21750115S74S74-K76 PolarHBondContact O-N 3.19Å
77C37.9Very low41.6Very low111 Ų11193.7 Ų93.775%0.7552%0.52SS*.SBendtrans-153.897.5160.8-91.90000110.8
78V41.3Very low41.1Very low148 Ų14897.1 Ų97.190%0.89753%0.533SS*.  trans55.9125.2149.1-169.70000118.2
79G29.8Very low41Very low74 Ų7495 Ų9576%0.76352%0.522SS*.  trans-77.2170.7-175.100000115.3
80G28.2Very low40.8Very low72 Ų7293.6 Ų93.674%0.74251%0.514SS*.  trans108.8110.3163.900000114.1
81F32.3Very low41Very low194 Ų19497.7 Ų97.785%0.85153%0.534SS*.  trans80.7113.8149.5-109.5-105.6000120.6F88F81-F88 WeakPolarHBondContact O-CZ 3.36Å
82A36.9Very low41.6Very low61 Ų6193.3 Ų93.350%0.50452%0.52SS..  trans95.891.1132.400000121.2N84 F88A82-N84 VanDerWaalsContact C-N 3.31Å; A82-N84 PolarHBondContact O-N 3.16Å; A82-F88 WeakPolarHBondContact O-CE2 2.73Å
83R37.8Very low42.3Very low250 Ų25088.6 Ų88.694%0.94349%0.486SS*.  48.83.6119.9-61.7-168.3-153.4-172.17122.9
84N41.4Very low43.1Very low97 Ų9789.3 Ų89.352%0.51949%0.493SS..  trans-131.696.2170.7-76.6-41.1000111.6A82 F86 F87A82-N84 VanDerWaalsContact C-N 3.31Å; A82-N84 PolarHBondContact O-N 3.16Å; N84-F86 PolarHBondContact O-N 3.4Å; N84-F86 VanDerWaalsContact O-N 3.13Å; N84-F87 HydrophobicContact CB-CB 4.34Å; N84-F87 HydrophobicContact CB-CD2 3.44Å; N84-F87 VanDerWaalsContact CB-CD2 3.44Å; N84-F87 HydrophobicContact CB-CE2 4.02Å; N84-F87 HydrophobicContact CB-CG 4.16Å; N84-F87 PolarHBondContact O-N 2.92Å
85K47.3Very low44.2Very low108 Ų10894.9 Ų94.947%0.4750%0.502SS..Hα-helixtrans-58.4-27.3-172.7-73.3-176.4-175.3-1790114.3T67 Q89T67-K85 WeakPolarHBondContact OG1-CE 3.36Å; T67-K85 PolarHBondContact OG1-NZ 3.01Å; K85-Q89 VanDerWaalsContact O-CG 3.26Å; K85-Q89 WeakPolarHBondContact O-CG 3.31Å; K85-Q89 PolarHBondContact O-NE2 3.23Å
86F43.9Very low45.4Very low40 Ų4095.8 Ų95.818%0.17550%0.5CS..Hα-helixtrans-75.1-29.5176.9-77-77.9000113.9W66 N84 F88 Q89 I122 C125W66-F86 HydrophobicContact CH2-CE1 4.48Å; W66-F86 HydrophobicContact CZ2-CZ 4.32Å; N84-F86 PolarHBondContact O-N 3.4Å; N84-F86 VanDerWaalsContact O-N 3.13Å; F86-F88 PolarHBondContact O-N 3.38Å; F86-Q89 PolarHBondContact O-N 3.17Å; F86-I122 HydrophobicContact CZ-CG2 4.31Å; F86-C125 HydrophobicContact CB-CB 3.94Å; F86-C125 HydrophobicContact CD1-CB 3.68Å; F86-C125 HydrophobicContact CD2-CB 3.72Å; F86-C125 HydrophobicContact CE1-CB 4.06Å; F86-C125 HydrophobicContact CE2-CB 4.11Å; F86-C125 HydrophobicContact CG-CB 3.5Å; F86-C125 VanDerWaalsContact CG-CB 3.5Å; F86-C125 HydrophobicContact CZ-CB 4.27Å
87F45Very low46.4Very low88 Ų8891.2 Ų91.239%0.38649%0.493SS..Hα-helixtrans-70.6-33.5-174.2-81.3-104000112.7N84 Q89 Q91 Y128N84-F87 HydrophobicContact CB-CB 4.34Å; N84-F87 HydrophobicContact CB-CD2 3.44Å; N84-F87 VanDerWaalsContact CB-CD2 3.44Å; N84-F87 HydrophobicContact CB-CE2 4.02Å; N84-F87 HydrophobicContact CB-CG 4.16Å; N84-F87 PolarHBondContact O-N 2.92Å; F87-Q89 VanDerWaalsContact C-N 3.31Å; F87-Q89 PolarHBondContact O-N 2.87Å; F87-Q91 WeakPolarHBondContact O-CG 3.37Å; F87-Y128 AromaticContact CD1-CE1 3.72Å; F87-Y128 HydrophobicContact CD1-CE1 3.72Å; F87-Y128 AromaticContact CE1-CE1 3.89Å; F87-Y128 HydrophobicContact CE1-CE1 3.89Å; F87-Y128 HydrophobicContact CG-CE1 4.25Å
88F43.8Very low47.7Very low98 Ų9886.3 Ų86.343%0.4346%0.461SS..Hα-helixtrans-69.8-28.6179.2-71.2-78.7000113.2F81 A82 F86 Q91 I92F81-F88 WeakPolarHBondContact O-CZ 3.36Å; A82-F88 WeakPolarHBondContact O-CE2 2.73Å; F86-F88 PolarHBondContact O-N 3.38Å; F88-Q91 PolarHBondContact O-N 3.25Å; F88-I92 WeakPolarHBondContact O-CG1 2.98Å; F88-I92 PolarHBondContact O-N 2.79Å; F88-I92 VanDerWaalsContact O-N 3.07Å
89Q48Very low49Very low8 Ų879.5 Ų79.54%0.03742%0.42CS..Hα-helixtrans-74.2-46.6-169.4-49.6172.78.600111.3F70 K85 F86 F87 Q91 I92 G93F70-Q89 HydrophobicContact CD1-CG 3.89Å; F70-Q89 HydrophobicContact CD2-CG 4.37Å; F70-Q89 HydrophobicContact CE1-CB 3.89Å; F70-Q89 VanDerWaalsContact CE1-CD 3.41Å; F70-Q89 HydrophobicContact CE1-CG 3.28Å; F70-Q89 HydrophobicContact CE2-CG 3.92Å; F70-Q89 HydrophobicContact CG-CG 4.47Å; F70-Q89 HydrophobicContact CZ-CB 4.22Å; F70-Q89 HydrophobicContact CZ-CG 3.39Å; K85-Q89 VanDerWaalsContact O-CG 3.26Å; K85-Q89 WeakPolarHBondContact O-CG 3.31Å; K85-Q89 PolarHBondContact O-NE2 3.23Å; F86-Q89 PolarHBondContact O-N 3.17Å; F87-Q89 VanDerWaalsContact C-N 3.31Å; F87-Q89 PolarHBondContact O-N 2.87Å; Q89-Q91 VanDerWaalsContact C-N 3.27Å; Q89-Q91 PolarHBondContact O-N 2.78Å; Q89-I92 PolarHBondContact O-N 3.21Å; Q89-G93 PolarHBondContact O-N 2.73Å; Q89-G93 VanDerWaalsContact O-N 3.09Å
90G49.2Very low50.7Low0 Ų081.9 Ų81.90%041%0.412CS..Hα-helixtrans-65.5-33.2173.700000111.7I92 G93 C94 L132G90-I92 PolarHBondContact O-N 3.16Å; G90-G93 CarbonylContact O-C 3.58Å; G90-G93 PolarHBondContact O-N 3.4Å; G90-C94 PolarHBondContact O-N 3.01Å; G90-C94 PolarHBondContact O-SG 3.28Å; G90-L132 VanDerWaalsContact CA-CB 3.46Å; G90-L132 VanDerWaalsContact CA-CD1 3.49Å; G90-L132 WeakPolarHBondContact O-CB 3.48Å
91Q53.1Low52.4Low110 Ų11083.4 Ų83.451%0.51440%0.403SS..Hα-helixtrans-67.1-35177-72.2-17522.300113.3F87 F88 Q89 C94F87-Q91 WeakPolarHBondContact O-CG 3.37Å; F88-Q91 PolarHBondContact O-N 3.25Å; Q89-Q91 VanDerWaalsContact C-N 3.27Å; Q89-Q91 PolarHBondContact O-N 2.78Å; Q91-C94 WeakPolarHBondContact O-CB 3.34Å; Q91-C94 PolarHBondContact O-N 3.01Å
92I56.8Low54Low54 Ų5474.9 Ų74.928%0.27737%0.366SS..Hα-helixtrans-67.3-46.4171.7-65.4167.9000109.3F88 Q89 G90 C94 R95 G98 L102F88-I92 WeakPolarHBondContact O-CG1 2.98Å; F88-I92 PolarHBondContact O-N 2.79Å; F88-I92 VanDerWaalsContact O-N 3.07Å; Q89-I92 PolarHBondContact O-N 3.21Å; G90-I92 PolarHBondContact O-N 3.16Å; I92-C94 PolarHBondContact O-N 3.38Å; I92-R95 PolarHBondContact O-N 3.04Å; I92-G98 CarbonylContact O-C 3.48Å; I92-G98 VanDerWaalsContact O-CA 3.25Å; I92-G98 WeakPolarHBondContact O-CA 3.34Å; I92-L102 HydrophobicContact CG2-CD2 4.42Å
93G56Low55.6Low0 Ų074.2 Ų74.20%036%0.357CS..Hα-helixtrans-65.4-15.2175.700000115.1Q89 G90 R95 M99 N136Q89-G93 PolarHBondContact O-N 2.73Å; Q89-G93 VanDerWaalsContact O-N 3.09Å; G90-G93 CarbonylContact O-C 3.58Å; G90-G93 PolarHBondContact O-N 3.4Å; G93-R95 VanDerWaalsContact C-N 3.26Å; G93-R95 PolarHBondContact O-N 2.73Å; G93-M99 WeakPolarHBondContact CA-SD 3.26Å; G93-M99 WeakPolarHBondContact O-CG 3.39Å; G93-M99 VanDerWaalsContact O-SD 3.35Å; G93-N136 WeakPolarHBondContact O-CB 3.27Å
94C58.3Low57Low38 Ų3867.5 Ų67.526%0.25734%0.339SS..THydrogen-bonded Turntrans-69.7-19176.3-78.10000113.9G90 Q91 I92 L132G90-C94 PolarHBondContact O-N 3.01Å; G90-C94 PolarHBondContact O-SG 3.28Å; Q91-C94 WeakPolarHBondContact O-CB 3.34Å; Q91-C94 PolarHBondContact O-N 3.01Å; I92-C94 PolarHBondContact O-N 3.38Å; C94-L132 VanDerWaalsContact SG-CB 3.58Å; C94-L132 PolarHBondContact SG-O 2.93Å
95R63Low58.6Low194 Ų19465.4 Ų65.473%0.73233%0.332SS*.SBendtrans-111.2142.6-179.7-64.4-173.8179.3-169.9-0.2110.6I92 G93 A97 G98 M99 N136I92-R95 PolarHBondContact O-N 3.04Å; G93-R95 VanDerWaalsContact C-N 3.26Å; G93-R95 PolarHBondContact O-N 2.73Å; R95-A97 VanDerWaalsContact C-N 3.29Å; R95-A97 PolarHBondContact O-N 3.34Å; R95-G98 WeakPolarHBondContact O-CA 3.44Å; R95-G98 PolarHBondContact O-N 3.43Å; R95-M99 PolarHBondContact O-N 3.39Å; R95-N136 PolarHBondContact O-ND2 3.26Å
96D62.4Low60Low104 Ų10460.4 Ų60.456%0.55631%0.31SS*.Hα-helixtrans-54-45.7-178.7-58.5-25.1000112.3G98 M99 M100 N136D96-G98 VanDerWaalsContact C-N 3.29Å; D96-G98 PolarHBondContact O-N 2.84Å; D96-M99 PolarHBondContact O-N 3.17Å; D96-M100 PolarHBondContact O-N 2.92Å; D96-N136 WeakPolarHBondContact CA-ND2 3.44Å; D96-N136 PolarHBondContact N-ND2 2.92Å; D96-N136 PolarHBondContact OD1-ND2 3.44Å; D96-N136 PolarHBondContact OD1-OD1 3.26Å
97A62.4Low61.8Low67 Ų6758.7 Ų58.755%0.55430%0.303SS*.Hα-helixtrans-63.7-32.2175.300000113.3R95 L101R95-A97 VanDerWaalsContact C-N 3.29Å; R95-A97 PolarHBondContact O-N 3.34Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 3.32Å
98G64.4Low63.7Low8 Ų856.7 Ų56.78%0.08230%0.298CS..Hα-helixtrans-77.4-34.5-179.900000112.6I92 R95 D96 M100 L101 L102I92-G98 CarbonylContact O-C 3.48Å; I92-G98 VanDerWaalsContact O-CA 3.25Å; I92-G98 WeakPolarHBondContact O-CA 3.34Å; R95-G98 WeakPolarHBondContact O-CA 3.44Å; R95-G98 PolarHBondContact O-N 3.43Å; D96-G98 VanDerWaalsContact C-N 3.29Å; D96-G98 PolarHBondContact O-N 2.84Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å; G98-L101 PolarHBondContact O-N 3.31Å; G98-L102 PolarHBondContact O-N 2.69Å
99M69.8Low65.3Low5 Ų552.9 Ų52.93%0.02529%0.285CS..Hα-helixtrans-63.3-37.8170.7-74.9-63.5-59.400112.7G93 R95 D96 L101 L102 V107 I133 N136 F138 I142G93-M99 WeakPolarHBondContact CA-SD 3.26Å; G93-M99 WeakPolarHBondContact O-CG 3.39Å; G93-M99 VanDerWaalsContact O-SD 3.35Å; R95-M99 PolarHBondContact O-N 3.39Å; D96-M99 PolarHBondContact O-N 3.17Å; M99-L101 PolarHBondContact O-N 3.07Å; M99-L102 HydrophobicContact CE-CD1 4.28Å; M99-L102 WeakPolarHBondContact O-CB 3.4Å; M99-L102 PolarHBondContact O-N 3.4Å; M99-L102 VanDerWaalsContact O-N 3.16Å; M99-L102 HydrophobicContact SD-CD1 3.62Å; M99-V107 HydrophobicContact CE-CG2 3.85Å; M99-I133 HydrophobicContact CE-CG2 3.93Å; M99-I133 HydrophobicContact SD-CG1 4.28Å; M99-I133 HydrophobicContact SD-CG2 3.98Å; M99-N136 HydrophobicContact CG-CB 4.15Å; M99-N136 VanDerWaalsContact CG-ND2 3.32Å; M99-N136 WeakPolarHBondContact CG-ND2 3.44Å; M99-F138 HydrophobicContact CB-CD1 3.88Å; M99-F138 HydrophobicContact CB-CE1 4.47Å; M99-F138 HydrophobicContact CE-CD1 4.25Å; M99-I142 HydrophobicContact CE-CD1 3.95Å
100M64.3Low66.9Low123 Ų12353 Ų5361%0.60629%0.286SS*.Hα-helixtrans-65.5-21.5175.7-73.3-172.215800113.6D96 G98D96-M100 PolarHBondContact O-N 2.92Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å
101L65Low68.7Low105 Ų10553.4 Ų53.455%0.5529%0.289SS..Hα-helixtrans-85.1-23.3176-65.9170.2000112.1L73 A97 G98 M99 P103L73-L101 HydrophobicContact CD2-CB 3.76Å; L73-L101 WeakPolarHBondContact CD2-O 3.45Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 3.32Å; G98-L101 PolarHBondContact O-N 3.31Å; M99-L101 PolarHBondContact O-N 3.07Å; L101-P103 WeakPolarHBondContact O-CD 3.3Å
102L66.5Low70.2Confident15 Ų1552 Ų528%0.07928%0.279CS..SBendtrans-66.2127.8177.9-65.5180000109.9L73 I92 G98 M99 L104L73-L102 HydrophobicContact CD1-CD2 3.36Å; L73-L102 HydrophobicContact CD2-CD2 3.79Å; L73-L102 HydrophobicContact CD2-CG 4.49Å; L73-L102 HydrophobicContact CG-CD2 4.22Å; I92-L102 HydrophobicContact CG2-CD2 4.42Å; G98-L102 PolarHBondContact O-N 2.69Å; M99-L102 HydrophobicContact CE-CD1 4.28Å; M99-L102 WeakPolarHBondContact O-CB 3.4Å; M99-L102 PolarHBondContact O-N 3.4Å; M99-L102 VanDerWaalsContact O-N 3.16Å; M99-L102 HydrophobicContact SD-CD1 3.62Å; L102-L104 PolarHBondContact O-N 3.5Å
103P69.5Low71.2Confident47 Ų4749.6 Ų49.631%0.30527%0.266SS..  trans-54.2140167.7-21.228.5000110.7L101 C105 V106L101-P103 WeakPolarHBondContact O-CD 3.3Å; P103-C105 PolarHBondContact O-N 2.99Å; P103-V106 HydrophobicContact CB-CG2 3.96Å; P103-V106 HydrophobicContact CG-CG2 3.99Å; P103-V106 WeakPolarHBondContact O-CB 3.46Å; P103-V106 WeakPolarHBondContact O-CG2 3.08Å; P103-V106 PolarHBondContact O-N 3.26Å
104L68Low72.5Confident108 Ų10849.6 Ų49.657%0.56527%0.266SS*.THydrogen-bonded Turntrans-57-23.6-174.7-68.9170.6000113.8L102 P108 F169 M173L102-L104 PolarHBondContact O-N 3.5Å; L104-P108 WeakPolarHBondContact O-CD 3.23Å; L104-F169 HydrophobicContact CD2-CE1 4.37Å; L104-F169 HydrophobicContact CD2-CZ 4.18Å; L104-M173 HydrophobicContact CD2-CE 4.36Å
105C73.3Confident73.8Confident54 Ų5451.8 Ų51.837%0.36527%0.273SS..THydrogen-bonded Turntrans-80.6-13.8178.362.70000114.4P103 P108 A109P103-C105 PolarHBondContact O-N 2.99Å; C105-P108 WeakPolarHBondContact O-CD 3.36Å; C105-A109 VanDerWaalsContact O-CB 3.27Å; C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.28Å
106V77.6Confident74.8Confident2 Ų246.7 Ų46.71%0.01226%0.257CS..Hα-helixtrans-67.6-46.7-174.7176.70000111.4L69 P103 A109 I110L69-V106 HydrophobicContact CD2-CB 4.5Å; L69-V106 HydrophobicContact CD2-CG1 4.14Å; L69-V106 HydrophobicContact CD2-CG2 3.78Å; L69-V106 HydrophobicContact CG-CG2 4.14Å; P103-V106 HydrophobicContact CB-CG2 3.96Å; P103-V106 HydrophobicContact CG-CG2 3.99Å; P103-V106 WeakPolarHBondContact O-CB 3.46Å; P103-V106 WeakPolarHBondContact O-CG2 3.08Å; P103-V106 PolarHBondContact O-N 3.26Å; V106-A109 PolarHBondContact O-N 3.11Å; V106-I110 HydrophobicContact CG1-CD1 3.76Å; V106-I110 HydrophobicContact CG1-CG1 4.3Å; V106-I110 VanDerWaalsContact O-CG1 3.32Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.24Å
107V82Confident75.4Confident5 Ų541.9 Ų41.93%0.0323%0.232CC..Hα-helixtrans-64.3-47.9-178.8-174.70000111.4M99 A109 I110 V111 I133 I142 L143 L146M99-V107 HydrophobicContact CE-CG2 3.85Å; V107-A109 VanDerWaalsContact C-N 3.29Å; V107-A109 PolarHBondContact O-N 2.9Å; V107-I110 PolarHBondContact O-N 3.45Å; V107-V111 WeakPolarHBondContact O-CG2 3.36Å; V107-V111 PolarHBondContact O-N 3.13Å; V107-I133 HydrophobicContact CG1-CD1 4.49Å; V107-I133 HydrophobicContact CG1-CG2 4.41Å; V107-I133 HydrophobicContact CG2-CD1 4.33Å; V107-I142 HydrophobicContact CB-CG2 3.94Å; V107-I142 HydrophobicContact CG1-CG2 3.67Å; V107-I142 HydrophobicContact CG2-CG2 4.44Å; V107-L143 HydrophobicContact CG1-CD2 3.93Å; V107-L143 HydrophobicContact CG1-CG 4.42Å; V107-L146 HydrophobicContact CG1-CD1 4.03Å
108P83.7Confident76.1Confident45 Ų4544 Ų4429%0.29223%0.234SC..Hα-helixtrans-57.5-37.9171.7-25.533.9000114L104 C105 V111 R112 L146L104-P108 WeakPolarHBondContact O-CD 3.23Å; C105-P108 WeakPolarHBondContact O-CD 3.36Å; P108-V111 PolarHBondContact O-N 3.07Å; P108-R112 WeakPolarHBondContact O-CB 3.16Å; P108-R112 PolarHBondContact O-N 3.41Å; P108-L146 HydrophobicContact CB-CD1 4.44Å; P108-L146 HydrophobicContact CB-CD2 4.34Å; P108-L146 HydrophobicContact CG-CD1 4.19Å; P108-L146 HydrophobicContact CG-CD2 4.25Å
109A77.6Confident76.3Confident19 Ų1947.4 Ų47.416%0.15725%0.248CC..Hα-helixtrans-66.3-44.6177.100000111.8I42 C105 V106 V107 V111 R112 V113I42-A109 HydrophobicContact CG2-CB 4.11Å; C105-A109 VanDerWaalsContact O-CB 3.27Å; C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.28Å; V106-A109 PolarHBondContact O-N 3.11Å; V107-A109 VanDerWaalsContact C-N 3.29Å; V107-A109 PolarHBondContact O-N 2.9Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 3.45Å; A109-R112 PolarHBondContact O-N 3.36Å; A109-V113 WeakPolarHBondContact O-CG2 3.37Å; A109-V113 PolarHBondContact O-N 2.96Å
110I82Confident76.3Confident11 Ų1152.1 Ų52.16%0.05628%0.281CS..Hα-helixtrans-60.3-45.4175.1-66.8168.5000110.3V106 V107 R112 V113 A114 A126 A129 I130 I133V106-I110 HydrophobicContact CG1-CD1 3.76Å; V106-I110 HydrophobicContact CG1-CG1 4.3Å; V106-I110 VanDerWaalsContact O-CG1 3.32Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.24Å; V107-I110 PolarHBondContact O-N 3.45Å; I110-R112 VanDerWaalsContact C-N 3.34Å; I110-R112 PolarHBondContact O-N 3.35Å; I110-V113 PolarHBondContact O-N 3.21Å; I110-A114 PolarHBondContact O-N 3.07Å; I110-A126 HydrophobicContact CG2-CB 4.23Å; I110-A129 HydrophobicContact CD1-CB 4.45Å; I110-A129 HydrophobicContact CG2-CB 4.02Å; I110-I130 HydrophobicContact CG2-CD1 4.33Å; I110-I130 HydrophobicContact CG2-CG1 3.78Å; I110-I133 HydrophobicContact CD1-CD1 3.9Å
111V87Confident76.3Confident8 Ų854 Ų545%0.04829%0.288CS..Hα-helixtrans-57.5-47.8175.7163.30000110.7V107 P108 A109 V113 A114 E115 I130 L143 L146 W148V107-V111 WeakPolarHBondContact O-CG2 3.36Å; V107-V111 PolarHBondContact O-N 3.13Å; P108-V111 PolarHBondContact O-N 3.07Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 3.45Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 2.95Å; V111-A114 WeakPolarHBondContact O-CB 3.21Å; V111-A114 PolarHBondContact O-N 3.45Å; V111-A114 VanDerWaalsContact O-N 3.09Å; V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.41Å; V111-I130 HydrophobicContact CG2-CD1 4.06Å; V111-I130 HydrophobicContact CG2-CG1 4.35Å; V111-L143 HydrophobicContact CG2-CD2 3.69Å; V111-L146 HydrophobicContact CB-CD1 4.28Å; V111-L146 HydrophobicContact CG2-CD1 3.82Å; V111-W148 HydrophobicContact CG1-CZ2 4.25Å
112R83.9Confident76.6Confident81 Ų8149.6 Ų49.631%0.30627%0.265SS..Hα-helixtrans-59.7-44177.7-169.6-176.7-60.818010112.2N43 T46 P108 A109 I110 A114 E115 Q116N43-R112 PolarHBondContact OD1-NH1 3.48Å; N43-R112 PolarHBondContact OD1-NH2 3.39Å; T46-R112 HydrophobicContact CG2-CG 4.17Å; P108-R112 WeakPolarHBondContact O-CB 3.16Å; P108-R112 PolarHBondContact O-N 3.41Å; A109-R112 PolarHBondContact O-N 3.36Å; I110-R112 VanDerWaalsContact C-N 3.34Å; I110-R112 PolarHBondContact O-N 3.35Å; R112-A114 VanDerWaalsContact C-N 3.31Å; R112-A114 PolarHBondContact O-N 3.47Å; R112-E115 PolarHBondContact O-N 2.92Å; R112-E115 VanDerWaalsContact O-N 3.17Å; R112-Q116 VanDerWaalsContact CG-CD 3.42Å; R112-Q116 HydrophobicContact CG-CG 4.13Å; R112-Q116 WeakPolarHBondContact O-CB 3.4Å; R112-Q116 PolarHBondContact O-N 3.32Å
113V78.1Confident77.1Confident3 Ų350 Ų502%0.01827%0.265CS..Hα-helixtrans-60.3-41.9175.2173.20000110.6T46 L49 W66 A109 I110 V111 E115 C117 I122 A126T46-V113 HydrophobicContact CG2-CG2 4.28Å; L49-V113 HydrophobicContact CD1-CG2 4.22Å; W66-V113 HydrophobicContact CH2-CG2 4.45Å; A109-V113 WeakPolarHBondContact O-CG2 3.37Å; A109-V113 PolarHBondContact O-N 2.96Å; I110-V113 PolarHBondContact O-N 3.21Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 2.95Å; V113-E115 VanDerWaalsContact C-N 3.3Å; V113-E115 PolarHBondContact O-N 3.45Å; V113-C117 HydrophobicContact CG1-CB 3.95Å; V113-C117 WeakPolarHBondContact O-CB 3.41Å; V113-C117 PolarHBondContact O-N 2.94Å; V113-I122 HydrophobicContact CG1-CG2 3.61Å; V113-A126 HydrophobicContact CB-CB 4.27Å; V113-A126 HydrophobicContact CG1-CB 3.89Å
114A84.7Confident77Confident0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-64.4-30.9176.600000113.5I110 V111 R112 R123 A126 Y127 I130 W148I110-A114 PolarHBondContact O-N 3.07Å; V111-A114 WeakPolarHBondContact O-CB 3.21Å; V111-A114 PolarHBondContact O-N 3.45Å; V111-A114 VanDerWaalsContact O-N 3.09Å; R112-A114 VanDerWaalsContact C-N 3.31Å; R112-A114 PolarHBondContact O-N 3.47Å; A114-R123 WeakPolarHBondContact O-CD 3.1Å; A114-R123 WeakPolarHBondContact O-CG 3.42Å; A114-A126 HydrophobicContact CB-CB 3.76Å; A114-Y127 HydrophobicContact CB-CE2 4.49Å; A114-Y127 PolarHBondContact O-OH 3.25Å; A114-I130 HydrophobicContact CB-CD1 3.5Å; A114-W148 HydrophobicContact CB-CH2 3.81Å; A114-W148 HydrophobicContact CB-CZ2 4.11Å
115E85.6Confident77.3Confident84 Ų8446.2 Ų46.239%0.39326%0.255SS..Hα-helixtrans-86.7-40.3180-64.1-169.4150.500113.8V111 R112 V113 W148 K154V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.41Å; R112-E115 PolarHBondContact O-N 2.92Å; R112-E115 VanDerWaalsContact O-N 3.17Å; V113-E115 VanDerWaalsContact C-N 3.3Å; V113-E115 PolarHBondContact O-N 3.45Å; E115-W148 HydrophobicContact CG-CZ2 3.56Å; E115-W148 PolarHBondContact OE1-NE1 2.94Å; E115-K154 IonicContact OE1-NZ 3.33Å; E115-K154 PolarHBondContact OE1-NZ 3.16Å
116Q82.5Confident77.6Confident86 Ų8643.8 Ų43.840%0.40224%0.238SC..Hα-helixtrans-104.8-30.9-165.4-61.5-179.7-9.600112.8N50 R112 N118N50-Q116 PolarHBondContact OD1-O 2.99Å; N50-Q116 VanDerWaalsContact OD1-O 3.06Å; R112-Q116 VanDerWaalsContact CG-CD 3.42Å; R112-Q116 HydrophobicContact CG-CG 4.13Å; R112-Q116 WeakPolarHBondContact O-CB 3.4Å; R112-Q116 PolarHBondContact O-N 3.32Å; Q116-N118 PolarHBondContact O-N 3.46Å
117C76.7Confident77.7Confident3 Ų347.6 Ų47.62%0.0225%0.253CS..  trans-63.9118.6-170.6-176.70000112.6N50 V113 M119 I122 R123N50-C117 VanDerWaalsContact OD1-CA 3.26Å; N50-C117 WeakPolarHBondContact OD1-CA 3.32Å; V113-C117 HydrophobicContact CG1-CB 3.95Å; V113-C117 WeakPolarHBondContact O-CB 3.41Å; V113-C117 PolarHBondContact O-N 2.94Å; C117-M119 VanDerWaalsContact C-N 3.27Å; C117-M119 PolarHBondContact O-N 3.28Å; C117-I122 HydrophobicContact CB-CG2 4.5Å; C117-R123 PolarHBondContact O-NE 3.23Å; C117-R123 PolarHBondContact O-NH2 3Å
118N76.1Confident77.5Confident111 Ų11151.2 Ų51.259%0.59427%0.267SS*.  trans-70-19.3-177.9-72.1-32.4000114.3N50 Q116 C120N50-N118 PolarHBondContact OD1-N 3.32Å; Q116-N118 PolarHBondContact O-N 3.46Å; N118-C120 PolarHBondContact O-N 2.97Å
119M67.7Low77.4Confident80 Ų8049.1 Ų49.139%0.39425%0.253SS..  trans-80.2114.3178.2-63.2-168.692.900111.5V57 I61 C117 H121 I122 R123V57-M119 HydrophobicContact CB-SD 4.42Å; V57-M119 HydrophobicContact CG1-CE 4.47Å; V57-M119 HydrophobicContact CG1-CG 4.46Å; V57-M119 HydrophobicContact CG1-SD 3.29Å; V57-M119 WeakPolarHBondContact CG1-SD 3.4Å; I61-M119 HydrophobicContact CD1-SD 4.3Å; C117-M119 VanDerWaalsContact C-N 3.27Å; C117-M119 PolarHBondContact O-N 3.28Å; M119-H121 VanDerWaalsContact C-N 3.26Å; M119-H121 PolarHBondContact O-N 3.23Å; M119-I122 HydrophobicContact CB-CB 4.28Å; M119-I122 HydrophobicContact CB-CD1 3.97Å; M119-I122 HydrophobicContact CB-CG1 4.07Å; M119-I122 HydrophobicContact CG-CD1 4.26Å; M119-I122 PolarHBondContact O-N 2.95Å; M119-I122 HydrophobicContact SD-CD1 3.54Å; M119-I122 VanDerWaalsContact SD-CD1 3.54Å; M119-I122 HydrophobicContact SD-CG1 4.31Å; M119-R123 WeakPolarHBondContact O-CB 3.47Å; M119-R123 PolarHBondContact O-N 3.27Å
120C71.3Confident77.7Confident104 Ų10448.8 Ų48.870%0.70325%0.248SC*.Hα-helixtrans-54-38.5-178.4-65.60000113.6N118 G124N118-C120 PolarHBondContact O-N 2.97Å; C120-G124 PolarHBondContact O-N 2.9Å
121H63.4Low77.8Confident163 Ų16349.7 Ų49.776%0.75526%0.255SS*.Hα-helixtrans-67.5-45.6-179.4-65.5-61.1000113M119 G124 C125M119-H121 VanDerWaalsContact C-N 3.26Å; M119-H121 PolarHBondContact O-N 3.23Å; H121-G124 PolarHBondContact O-N 2.9Å; H121-C125 PolarHBondContact O-N 3.47Å; H121-C125 PolarHBondContact O-SG 3.49Å
122I70.9Confident77.5Confident13 Ų1349.8 Ų49.87%0.06726%0.256CS..Hα-helixtrans-66.5-44.6177.8-58.9178.2000109.6L49 I61 F86 V113 C117 M119 G124 C125 A126L49-I122 HydrophobicContact CD2-CD1 4.16Å; I61-I122 HydrophobicContact CD1-CD1 3.57Å; I61-I122 HydrophobicContact CD1-CG1 4.45Å; I61-I122 HydrophobicContact CG1-CD1 3.92Å; F86-I122 HydrophobicContact CZ-CG2 4.31Å; V113-I122 HydrophobicContact CG1-CG2 3.61Å; C117-I122 HydrophobicContact CB-CG2 4.5Å; M119-I122 HydrophobicContact CB-CB 4.28Å; M119-I122 HydrophobicContact CB-CD1 3.97Å; M119-I122 HydrophobicContact CB-CG1 4.07Å; M119-I122 HydrophobicContact CG-CD1 4.26Å; M119-I122 PolarHBondContact O-N 2.95Å; M119-I122 HydrophobicContact SD-CD1 3.54Å; M119-I122 VanDerWaalsContact SD-CD1 3.54Å; M119-I122 HydrophobicContact SD-CG1 4.31Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.46Å; I122-C125 WeakPolarHBondContact O-CB 3.36Å; I122-C125 PolarHBondContact O-N 2.9Å; I122-C125 VanDerWaalsContact O-N 3.16Å; I122-A126 PolarHBondContact O-N 3.46Å
123R77.8Confident77.5Confident23 Ų2346 Ų469%0.08724%0.242CC..Hα-helixtrans-58.1-45176.4-165.9-176.8-78.5170.7-2.6111.2A114 C117 M119 C125 A126 Y127 Y353A114-R123 WeakPolarHBondContact O-CD 3.1Å; A114-R123 WeakPolarHBondContact O-CG 3.42Å; C117-R123 PolarHBondContact O-NE 3.23Å; C117-R123 PolarHBondContact O-NH2 3Å; M119-R123 WeakPolarHBondContact O-CB 3.47Å; M119-R123 PolarHBondContact O-N 3.27Å; R123-C125 PolarHBondContact O-N 3.4Å; R123-A126 WeakPolarHBondContact O-CB 3.39Å; R123-A126 PolarHBondContact O-N 2.86Å; R123-Y127 HydrophobicContact CG-CD2 4Å; R123-Y127 HydrophobicContact CG-CE2 3.63Å; R123-Y127 WeakPolarHBondContact O-CD2 3.47Å; R123-Y127 PolarHBondContact O-N 3.41Å; R123-Y353 PolarHBondContact NH1-OH 3.35Å
124G68.1Low77.9Confident38 Ų3847.4 Ų47.439%0.39225%0.251SS..Hα-helixtrans-61.2-40175.200000113.4C120 H121 I122 Y127 Y128C120-G124 PolarHBondContact O-N 2.9Å; H121-G124 PolarHBondContact O-N 2.9Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.46Å; G124-Y127 PolarHBondContact O-N 3.09Å; G124-Y128 PolarHBondContact O-N 2.9Å
125C74.1Confident77.8Confident38 Ų3854 Ų5426%0.25728%0.28SS..Hα-helixtrans-64.1-39.6173.7-66.40000112.3F86 H121 I122 R123 Y128 A129F86-C125 HydrophobicContact CB-CB 3.94Å; F86-C125 HydrophobicContact CD1-CB 3.68Å; F86-C125 HydrophobicContact CD2-CB 3.72Å; F86-C125 HydrophobicContact CE1-CB 4.06Å; F86-C125 HydrophobicContact CE2-CB 4.11Å; F86-C125 HydrophobicContact CG-CB 3.5Å; F86-C125 VanDerWaalsContact CG-CB 3.5Å; F86-C125 HydrophobicContact CZ-CB 4.27Å; H121-C125 PolarHBondContact O-N 3.47Å; H121-C125 PolarHBondContact O-SG 3.49Å; I122-C125 WeakPolarHBondContact O-CB 3.36Å; I122-C125 PolarHBondContact O-N 2.9Å; I122-C125 VanDerWaalsContact O-N 3.16Å; R123-C125 PolarHBondContact O-N 3.4Å; C125-Y128 PolarHBondContact O-N 3.14Å; C125-A129 PolarHBondContact O-N 3.49Å
126A78.4Confident77.5Confident2 Ų250.2 Ų50.22%0.01726%0.262CS..Hα-helixtrans-65.8-42.4175.800000111.7I110 V113 A114 I122 R123 Y128 A129 I130I110-A126 HydrophobicContact CG2-CB 4.23Å; V113-A126 HydrophobicContact CB-CB 4.27Å; V113-A126 HydrophobicContact CG1-CB 3.89Å; A114-A126 HydrophobicContact CB-CB 3.76Å; I122-A126 PolarHBondContact O-N 3.46Å; R123-A126 WeakPolarHBondContact O-CB 3.39Å; R123-A126 PolarHBondContact O-N 2.86Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.04Å; A126-A129 PolarHBondContact O-N 2.98Å; A126-I130 VanDerWaalsContact O-CG1 3.29Å; A126-I130 WeakPolarHBondContact O-CG1 3.44Å; A126-I130 PolarHBondContact O-N 2.83Å
127Y80Confident77.5Confident82 Ų8251.2 Ų51.232%0.32228%0.278SS..Hα-helixtrans-59-42.3171.6-82.2-70.5000112.4A114 R123 G124 I130 S131 W148A114-Y127 HydrophobicContact CB-CE2 4.49Å; A114-Y127 PolarHBondContact O-OH 3.25Å; R123-Y127 HydrophobicContact CG-CD2 4Å; R123-Y127 HydrophobicContact CG-CE2 3.63Å; R123-Y127 WeakPolarHBondContact O-CD2 3.47Å; R123-Y127 PolarHBondContact O-N 3.41Å; G124-Y127 PolarHBondContact O-N 3.09Å; Y127-I130 PolarHBondContact O-N 2.87Å; Y127-S131 PolarHBondContact O-N 3.01Å; Y127-W148 AromaticContact CD1-CH2 3.91Å; Y127-W148 HydrophobicContact CD1-CH2 3.91Å; Y127-W148 AromaticContact CD1-CZ3 3.79Å; Y127-W148 HydrophobicContact CD1-CZ3 3.79Å; Y127-W148 AromaticContact CE1-CH2 3.28Å; Y127-W148 HydrophobicContact CE1-CH2 3.28Å; Y127-W148 AromaticContact CE1-CZ3 3.42Å; Y127-W148 HydrophobicContact CE1-CZ3 3.42Å; Y127-W148 VanDerWaalsContact CE1-CZ3 3.42Å; Y127-W148 AromaticContact CZ-CH2 3.89Å
128Y77.2Confident77.7Confident82 Ų8253.4 Ų53.432%0.32229%0.287SS..Hα-helixtrans-62.6-44.2175.7-178.6-107.5000111.6F87 G124 C125 A126 I130 S131 L132F87-Y128 AromaticContact CD1-CE1 3.72Å; F87-Y128 HydrophobicContact CD1-CE1 3.72Å; F87-Y128 AromaticContact CE1-CE1 3.89Å; F87-Y128 HydrophobicContact CE1-CE1 3.89Å; F87-Y128 HydrophobicContact CG-CE1 4.25Å; G124-Y128 PolarHBondContact O-N 2.9Å; C125-Y128 PolarHBondContact O-N 3.14Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.04Å; Y128-I130 PolarHBondContact O-N 2.98Å; Y128-S131 WeakPolarHBondContact O-CB 3.19Å; Y128-S131 PolarHBondContact O-N 3.44Å; Y128-S131 PolarHBondContact O-OG 2.92Å; Y128-L132 HydrophobicContact CD1-CD1 3.9Å; Y128-L132 HydrophobicContact CE1-CD1 3.36Å; Y128-L132 HydrophobicContact CE1-CG 4.2Å; Y128-L132 HydrophobicContact CE2-CD1 4.47Å; Y128-L132 WeakPolarHBondContact O-CG 3.25Å; Y128-L132 PolarHBondContact O-N 3.02Å
129A83Confident78.1Confident0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-61.2-43.9175.700000112.2I110 C125 A126 S131 L132 I133I110-A129 HydrophobicContact CD1-CB 4.45Å; I110-A129 HydrophobicContact CG2-CB 4.02Å; C125-A129 PolarHBondContact O-N 3.49Å; A126-A129 PolarHBondContact O-N 2.98Å; A129-S131 VanDerWaalsContact C-N 3.3Å; A129-S131 PolarHBondContact O-N 3.46Å; A129-L132 PolarHBondContact O-N 3.42Å; A129-L132 VanDerWaalsContact O-N 3.16Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.39Å; A129-I133 PolarHBondContact O-N 3.35Å
130I84Confident78.9Confident12 Ų1245.9 Ų45.96%0.06225%0.251CS..Hα-helixtrans-58-43.8173.4-68.9167.5000110.7I110 V111 A114 A126 Y127 Y128 L132 I133 S134 L143 W148I110-I130 HydrophobicContact CG2-CD1 4.33Å; I110-I130 HydrophobicContact CG2-CG1 3.78Å; V111-I130 HydrophobicContact CG2-CD1 4.06Å; V111-I130 HydrophobicContact CG2-CG1 4.35Å; A114-I130 HydrophobicContact CB-CD1 3.5Å; A126-I130 VanDerWaalsContact O-CG1 3.29Å; A126-I130 WeakPolarHBondContact O-CG1 3.44Å; A126-I130 PolarHBondContact O-N 2.83Å; Y127-I130 PolarHBondContact O-N 2.87Å; Y128-I130 PolarHBondContact O-N 2.98Å; I130-L132 VanDerWaalsContact C-N 3.26Å; I130-L132 PolarHBondContact O-N 3.33Å; I130-I133 PolarHBondContact O-N 2.84Å; I130-S134 WeakPolarHBondContact O-CB 3.26Å; I130-S134 PolarHBondContact O-N 3.16Å; I130-L143 HydrophobicContact CG1-CD2 4.44Å; I130-L143 HydrophobicContact CG2-CD1 3.83Å; I130-L143 HydrophobicContact CG2-CD2 3.89Å; I130-W148 HydrophobicContact CD1-CD2 4.49Å; I130-W148 HydrophobicContact CD1-CE3 4.14Å; I130-W148 HydrophobicContact CD1-CH2 3.71Å; I130-W148 HydrophobicContact CD1-CZ2 4.12Å; I130-W148 HydrophobicContact CD1-CZ3 3.74Å; I130-W148 HydrophobicContact CG2-CE3 3.99Å; I130-W148 HydrophobicContact CG2-CZ3 4.25Å
131S82.5Confident79.6Confident30 Ų3044.3 Ų44.321%0.2123%0.233CC..Hα-helixtrans-60.3-38178.182.80000112Y127 Y128 A129 S134Y127-S131 PolarHBondContact O-N 3.01Å; Y128-S131 WeakPolarHBondContact O-CB 3.19Å; Y128-S131 PolarHBondContact O-N 3.44Å; Y128-S131 PolarHBondContact O-OG 2.92Å; A129-S131 VanDerWaalsContact C-N 3.3Å; A129-S131 PolarHBondContact O-N 3.46Å; S131-S134 PolarHBondContact O-OG 3.05Å
132L81Confident80.6Confident10 Ų1037.3 Ų37.35%0.05220%0.201CC..Hα-helixtrans-72.6-40.9177.8-70.2179.3000112.1G90 C94 Y128 A129 I130 S134 K135G90-L132 VanDerWaalsContact CA-CB 3.46Å; G90-L132 VanDerWaalsContact CA-CD1 3.49Å; G90-L132 WeakPolarHBondContact O-CB 3.48Å; C94-L132 VanDerWaalsContact SG-CB 3.58Å; C94-L132 PolarHBondContact SG-O 2.93Å; Y128-L132 HydrophobicContact CD1-CD1 3.9Å; Y128-L132 HydrophobicContact CE1-CD1 3.36Å; Y128-L132 HydrophobicContact CE1-CG 4.2Å; Y128-L132 HydrophobicContact CE2-CD1 4.47Å; Y128-L132 WeakPolarHBondContact O-CG 3.25Å; Y128-L132 PolarHBondContact O-N 3.02Å; A129-L132 PolarHBondContact O-N 3.42Å; A129-L132 VanDerWaalsContact O-N 3.16Å; I130-L132 VanDerWaalsContact C-N 3.26Å; I130-L132 PolarHBondContact O-N 3.33Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 2.8Å; L132-K135 WeakPolarHBondContact O-CB 3.06Å; L132-K135 PolarHBondContact O-N 3.18Å
133I84.9Confident81.4Confident2 Ų236.8 Ų36.81%0.0120%0.199CC..Hα-helixtrans-62.1-39.1173.7-68.4162.8000110.8M99 V107 I110 A129 I130 K135 N136 L143M99-I133 HydrophobicContact CE-CG2 3.93Å; M99-I133 HydrophobicContact SD-CG1 4.28Å; M99-I133 HydrophobicContact SD-CG2 3.98Å; V107-I133 HydrophobicContact CG1-CD1 4.49Å; V107-I133 HydrophobicContact CG1-CG2 4.41Å; V107-I133 HydrophobicContact CG2-CD1 4.33Å; I110-I133 HydrophobicContact CD1-CD1 3.9Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.39Å; A129-I133 PolarHBondContact O-N 3.35Å; I130-I133 PolarHBondContact O-N 2.84Å; I133-K135 PolarHBondContact O-N 2.59Å; I133-K135 VanDerWaalsContact O-N 3.14Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 3.32Å; I133-L143 HydrophobicContact CB-CD1 4.27Å; I133-L143 HydrophobicContact CG2-CD1 3.89Å; I133-L143 HydrophobicContact CG2-CG 4.21Å
134S86.2Confident81.8Confident32 Ų3238.1 Ų38.122%0.22421%0.212CC..THydrogen-bonded Turntrans-67.1-12.4-18078.40000114.7I130 S131 L132I130-S134 WeakPolarHBondContact O-CB 3.26Å; I130-S134 PolarHBondContact O-N 3.16Å; S131-S134 PolarHBondContact O-OG 3.05Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 2.8Å
135K81.6Confident82.7Confident139 Ų13937.9 Ų37.960%0.60420%0.201SC*.THydrogen-bonded Turntrans-73.7-20.6173.1-65.7-174.7176.6-175.10112.3L132 I133L132-K135 WeakPolarHBondContact O-CB 3.06Å; L132-K135 PolarHBondContact O-N 3.18Å; I133-K135 PolarHBondContact O-N 2.59Å; I133-K135 VanDerWaalsContact O-N 3.14Å
136N80.7Confident83.2Confident4 Ų437.9 Ų37.92%0.02120%0.198CC..SBendtrans-87.7137.6175.5-173.9-49.7000109.9G93 R95 D96 M99 I133 F138 G139 S140G93-N136 WeakPolarHBondContact O-CB 3.27Å; R95-N136 PolarHBondContact O-ND2 3.26Å; D96-N136 WeakPolarHBondContact CA-ND2 3.44Å; D96-N136 PolarHBondContact N-ND2 2.92Å; D96-N136 PolarHBondContact OD1-ND2 3.44Å; D96-N136 PolarHBondContact OD1-OD1 3.26Å; M99-N136 HydrophobicContact CG-CB 4.15Å; M99-N136 VanDerWaalsContact CG-ND2 3.32Å; M99-N136 WeakPolarHBondContact CG-ND2 3.44Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 3.32Å; N136-F138 PolarHBondContact O-N 2.79Å; N136-F138 WeakPolarHBondContact OD1-CA 3.41Å; N136-F138 VanDerWaalsContact OD1-CB 3.26Å; N136-F138 WeakPolarHBondContact OD1-CB 3.41Å; N136-F138 PolarHBondContact OD1-N 3.12Å; N136-G139 PolarHBondContact O-N 3.35Å; N136-G139 PolarHBondContact OD1-N 3.49Å; N136-S140 VanDerWaalsContact O-CB 3.26Å; N136-S140 WeakPolarHBondContact O-CB 3.26Å; N136-S140 PolarHBondContact O-N 3.09Å
137C82.1Confident83.6Confident107 Ų10739.3 Ų39.372%0.72321%0.213SC*.Hα-helixtrans-59.5-47.2176.2-176.60000111.9S140 E141C137-S140 WeakPolarHBondContact O-CB 3.35Å; C137-S140 PolarHBondContact O-N 2.84Å; C137-E141 PolarHBondContact O-N 3.08Å
138F81.2Confident83.7Confident49 Ų4937.4 Ų37.422%0.21521%0.206CC..Hα-helixtrans-64.7-43.1176-176.2-108.1000112.3M99 N136 S140 E141 I142 M173M99-F138 HydrophobicContact CB-CD1 3.88Å; M99-F138 HydrophobicContact CB-CE1 4.47Å; M99-F138 HydrophobicContact CE-CD1 4.25Å; N136-F138 PolarHBondContact O-N 2.79Å; N136-F138 WeakPolarHBondContact OD1-CA 3.41Å; N136-F138 VanDerWaalsContact OD1-CB 3.26Å; N136-F138 WeakPolarHBondContact OD1-CB 3.41Å; N136-F138 PolarHBondContact OD1-N 3.12Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.27Å; F138-E141 PolarHBondContact O-N 3.07Å; F138-I142 HydrophobicContact CD1-CD1 3.75Å; F138-I142 HydrophobicContact CE1-CD1 3.33Å; F138-I142 HydrophobicContact CE1-CG1 4.34Å; F138-I142 HydrophobicContact CE2-CD1 4.47Å; F138-I142 HydrophobicContact CG-CD1 4.5Å; F138-I142 HydrophobicContact CZ-CD1 3.74Å; F138-I142 HydrophobicContact CZ-CG1 4.39Å; F138-I142 WeakPolarHBondContact O-CG1 3.39Å; F138-I142 PolarHBondContact O-N 2.64Å; F138-M173 HydrophobicContact CE2-CE 4.36Å; F138-M173 HydrophobicContact CE2-SD 3.36Å; F138-M173 WeakPolarHBondContact CE2-SD 3.36Å; F138-M173 HydrophobicContact CZ-CE 3.92Å; F138-M173 HydrophobicContact CZ-SD 3.45Å; F138-M173 WeakPolarHBondContact CZ-SD 3.46Å
139G83.7Confident83.4Confident0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-61.8-39.7174.500000112.7N136 I142 L143N136-G139 PolarHBondContact O-N 3.35Å; N136-G139 PolarHBondContact OD1-N 3.49Å; G139-I142 PolarHBondContact O-N 3.35Å; G139-L143 WeakPolarHBondContact O-CB 3.44Å; G139-L143 VanDerWaalsContact O-CG 3.26Å; G139-L143 WeakPolarHBondContact O-CG 3.44Å; G139-L143 PolarHBondContact O-N 3.44Å
140S85Confident82.1Confident33 Ų3344.8 Ų44.823%0.23124%0.243CC..Hα-helixtrans-66-38.6174.5-169.10000112.1N136 C137 F138 L143 S144N136-S140 VanDerWaalsContact O-CB 3.26Å; N136-S140 WeakPolarHBondContact O-CB 3.26Å; N136-S140 PolarHBondContact O-N 3.09Å; C137-S140 WeakPolarHBondContact O-CB 3.35Å; C137-S140 PolarHBondContact O-N 2.84Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.27Å; S140-L143 PolarHBondContact O-N 3.24Å; S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.07Å
141E85.3Confident80.3Confident71 Ų7150 Ų5033%0.33228%0.276SS..Hα-helixtrans-65.4-44.2175.6-172.8170.4-162.500111.3C137 F138 L143 S144 L145 K172C137-E141 PolarHBondContact O-N 3.08Å; F138-E141 PolarHBondContact O-N 3.07Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.18Å; E141-S144 WeakPolarHBondContact O-CB 3.44Å; E141-S144 PolarHBondContact O-N 2.89Å; E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CD1 3.48Å; E141-L145 WeakPolarHBondContact O-CG 3.47Å; E141-L145 PolarHBondContact O-N 3.21Å; E141-K172 IonicContact OE1-NZ 2.84Å; E141-K172 PolarHBondContact OE1-NZ 3.25Å
142I84.2Confident78.4Confident16 Ų1651.3 Ų51.38%0.08229%0.288CS..Hα-helixtrans-59.3-46.1174.2-67.2168.8000110.8M99 V107 F138 G139 S144 L145 L146 F169M99-I142 HydrophobicContact CE-CD1 3.95Å; V107-I142 HydrophobicContact CB-CG2 3.94Å; V107-I142 HydrophobicContact CG1-CG2 3.67Å; V107-I142 HydrophobicContact CG2-CG2 4.44Å; F138-I142 HydrophobicContact CD1-CD1 3.75Å; F138-I142 HydrophobicContact CE1-CD1 3.33Å; F138-I142 HydrophobicContact CE1-CG1 4.34Å; F138-I142 HydrophobicContact CE2-CD1 4.47Å; F138-I142 HydrophobicContact CG-CD1 4.5Å; F138-I142 HydrophobicContact CZ-CD1 3.74Å; F138-I142 HydrophobicContact CZ-CG1 4.39Å; F138-I142 WeakPolarHBondContact O-CG1 3.39Å; F138-I142 PolarHBondContact O-N 2.64Å; G139-I142 PolarHBondContact O-N 3.35Å; I142-S144 VanDerWaalsContact C-N 3.32Å; I142-S144 PolarHBondContact O-N 3.44Å; I142-L145 WeakPolarHBondContact O-CB 3.25Å; I142-L145 PolarHBondContact O-N 2.98Å; I142-L146 HydrophobicContact CG2-CD1 4.09Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.1Å; I142-L146 VanDerWaalsContact O-N 3.07Å; I142-F169 HydrophobicContact CD1-CZ 4.49Å; I142-F169 HydrophobicContact CG1-CE2 3.81Å; I142-F169 HydrophobicContact CG1-CZ 4.15Å
143L88.2Confident76.3Confident3 Ų357.2 Ų57.22%0.01632%0.324CS..Hα-helixtrans-63.2-40177.9-72.5171.3000111.5V107 V111 I130 I133 G139 S140 E141 L145 L146 G147 W148V107-L143 HydrophobicContact CG1-CD2 3.93Å; V107-L143 HydrophobicContact CG1-CG 4.42Å; V111-L143 HydrophobicContact CG2-CD2 3.69Å; I130-L143 HydrophobicContact CG1-CD2 4.44Å; I130-L143 HydrophobicContact CG2-CD1 3.83Å; I130-L143 HydrophobicContact CG2-CD2 3.89Å; I133-L143 HydrophobicContact CB-CD1 4.27Å; I133-L143 HydrophobicContact CG2-CD1 3.89Å; I133-L143 HydrophobicContact CG2-CG 4.21Å; G139-L143 WeakPolarHBondContact O-CB 3.44Å; G139-L143 VanDerWaalsContact O-CG 3.26Å; G139-L143 WeakPolarHBondContact O-CG 3.44Å; G139-L143 PolarHBondContact O-N 3.44Å; S140-L143 PolarHBondContact O-N 3.24Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.18Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.19Å; L143-L146 CarbonylContact O-C 3.55Å; L143-L146 PolarHBondContact O-N 3.43Å; L143-L146 VanDerWaalsContact O-N 3.13Å; L143-G147 PolarHBondContact O-N 3.48Å; L143-W148 HydrophobicContact CB-CB 4.06Å; L143-W148 HydrophobicContact CD2-CB 4.27Å; L143-W148 WeakPolarHBondContact O-CA 3.43Å; L143-W148 WeakPolarHBondContact O-CB 3.25Å; L143-W148 PolarHBondContact O-N 3.43Å
144S87.1Confident74.3Confident51 Ų5160.8 Ų60.836%0.35734%0.339SS..Hα-helixtrans-58.7-43174.2-171.50000111.7S140 E141 I142 L146 G147S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.07Å; E141-S144 WeakPolarHBondContact O-CB 3.44Å; E141-S144 PolarHBondContact O-N 2.89Å; I142-S144 VanDerWaalsContact C-N 3.32Å; I142-S144 PolarHBondContact O-N 3.44Å; S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.04Å; S144-G147 PolarHBondContact O-N 3.15Å
145L86Confident72Confident32 Ų3264.7 Ų64.717%0.16836%0.362CS..Hα-helixtrans-66.1-28.9177.3-70.9160.3000113.1E141 I142 L143 G147 S165 F169E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CD1 3.48Å; E141-L145 WeakPolarHBondContact O-CG 3.47Å; E141-L145 PolarHBondContact O-N 3.21Å; I142-L145 WeakPolarHBondContact O-CB 3.25Å; I142-L145 PolarHBondContact O-N 2.98Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.19Å; L145-G147 VanDerWaalsContact C-N 3.26Å; L145-S165 PolarHBondContact O-OG 2.84Å; L145-F169 HydrophobicContact CD1-CB 3.76Å; L145-F169 HydrophobicContact CD1-CD2 3.21Å; L145-F169 HydrophobicContact CD1-CE2 4.06Å; L145-F169 HydrophobicContact CD1-CG 3.8Å; L145-F169 HydrophobicContact CD2-CB 4.4Å
146L85.6Confident70.2Confident38 Ų3863.7 Ų63.720%0.19937%0.37CS..THydrogen-bonded Turntrans-81.81.4172.8-64.8172.6000113.2V107 P108 V111 I142 L143 S144 F162V107-L146 HydrophobicContact CG1-CD1 4.03Å; P108-L146 HydrophobicContact CB-CD1 4.44Å; P108-L146 HydrophobicContact CB-CD2 4.34Å; P108-L146 HydrophobicContact CG-CD1 4.19Å; P108-L146 HydrophobicContact CG-CD2 4.25Å; V111-L146 HydrophobicContact CB-CD1 4.28Å; V111-L146 HydrophobicContact CG2-CD1 3.82Å; I142-L146 HydrophobicContact CG2-CD1 4.09Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.1Å; I142-L146 VanDerWaalsContact O-N 3.07Å; L143-L146 CarbonylContact O-C 3.55Å; L143-L146 PolarHBondContact O-N 3.43Å; L143-L146 VanDerWaalsContact O-N 3.13Å; S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.04Å; L146-F162 HydrophobicContact CD2-CE2 4.42Å
147G85.9Confident68.9Low32 Ų3267.3 Ų67.333%0.3339%0.388SS..THydrogen-bonded Turntrans81.220.7-17900000114.5L143 S144 L145L143-G147 PolarHBondContact O-N 3.48Å; S144-G147 PolarHBondContact O-N 3.15Å; L145-G147 VanDerWaalsContact C-N 3.26Å
148W81.8Confident67.6Low43 Ų4364.5 Ų64.516%0.16337%0.37CS..  trans-107.237.4178.4-77.171.1000112.4V111 A114 E115 Y127 I130 L143V111-W148 HydrophobicContact CG1-CZ2 4.25Å; A114-W148 HydrophobicContact CB-CH2 3.81Å; A114-W148 HydrophobicContact CB-CZ2 4.11Å; E115-W148 HydrophobicContact CG-CZ2 3.56Å; E115-W148 PolarHBondContact OE1-NE1 2.94Å; Y127-W148 AromaticContact CD1-CH2 3.91Å; Y127-W148 HydrophobicContact CD1-CH2 3.91Å; Y127-W148 AromaticContact CD1-CZ3 3.79Å; Y127-W148 HydrophobicContact CD1-CZ3 3.79Å; Y127-W148 AromaticContact CE1-CH2 3.28Å; Y127-W148 HydrophobicContact CE1-CH2 3.28Å; Y127-W148 AromaticContact CE1-CZ3 3.42Å; Y127-W148 HydrophobicContact CE1-CZ3 3.42Å; Y127-W148 VanDerWaalsContact CE1-CZ3 3.42Å; Y127-W148 AromaticContact CZ-CH2 3.89Å; I130-W148 HydrophobicContact CD1-CD2 4.49Å; I130-W148 HydrophobicContact CD1-CE3 4.14Å; I130-W148 HydrophobicContact CD1-CH2 3.71Å; I130-W148 HydrophobicContact CD1-CZ2 4.12Å; I130-W148 HydrophobicContact CD1-CZ3 3.74Å; I130-W148 HydrophobicContact CG2-CE3 3.99Å; I130-W148 HydrophobicContact CG2-CZ3 4.25Å; L143-W148 HydrophobicContact CB-CB 4.06Å; L143-W148 HydrophobicContact CD2-CB 4.27Å; L143-W148 WeakPolarHBondContact O-CA 3.43Å; L143-W148 WeakPolarHBondContact O-CB 3.25Å; L143-W148 PolarHBondContact O-N 3.43Å
149D70.8Confident66.1Low71 Ų7168 Ų6838%0.3839%0.39SS..  trans-69.9150.3171.9-164.10.7000111T151 A152D149-T151 PolarHBondContact O-N 3.45Å; D149-A152 HydrophobicContact CB-CB 4.4Å
150K56.9Low64.9Low166 Ų16672 Ų7272%0.72242%0.419SS*.THydrogen-bonded Turntrans-60.9-10.7-176-65.7179.4-178.2175.10113.5
151T46.7Very low63.5Low122 Ų12275.1 Ų75.175%0.74843%0.429SS*.THydrogen-bonded Turntrans-130.2-3.9-168.454.10000114.8D149D149-T151 PolarHBondContact O-N 3.45Å
152A41.5Very low61.7Low57 Ų5775.9 Ų75.947%0.47143%0.431SS..  trans-100.6118.6-169.600000113.4D149 K154D149-A152 HydrophobicContact CB-CB 4.4Å; A152-K154 PolarHBondContact O-N 2.95Å; A152-K154 VanDerWaalsContact O-N 3.09Å
153V37.4Very low60.3Low133 Ų13380.6 Ų80.681%0.80645%0.451SS*.  trans-55112.4162.41750000108.3V155V153-V155 PolarHBondContact O-N 3.09Å
154K41.7Very low59.2Low77 Ų7787 Ų8734%0.33548%0.479SS..  trans-54104.3-179.2-67.2-168.2175.2-163.20111.8E115 A152E115-K154 IonicContact OE1-NZ 3.33Å; E115-K154 PolarHBondContact OE1-NZ 3.16Å; A152-K154 PolarHBondContact O-N 2.95Å; A152-K154 VanDerWaalsContact O-N 3.09Å
155V37.7Very low57.6Low115 Ų11585.8 Ų85.870%0.69747%0.47SS*.PPolyproline II helixtrans-92.5128.4157.6-178.70000106.7V153 L157V153-V155 PolarHBondContact O-N 3.09Å; V155-L157 PolarHBondContact O-N 3.2Å; V155-L157 VanDerWaalsContact O-N 3.13Å
156P44.1Very low55.9Low118 Ų11889.8 Ų89.877%0.76648%0.483SS*.PPolyproline II helixtrans-61.3117.2172.824.7-30.8000108.9S158P156-S158 PolarHBondContact O-N 3.32Å
157L53.4Low54.7Low80 Ų8093.2 Ų93.242%0.41950%0.498SS..PPolyproline II helixtrans-61129173.3-66.2168.5000108.6V155 E161V155-L157 PolarHBondContact O-N 3.2Å; V155-L157 VanDerWaalsContact O-N 3.13Å; L157-E161 HydrophobicContact CB-CB 4.14Å; L157-E161 HydrophobicContact CD2-CB 3.9Å
158S56.3Low53.6Low48 Ų4895 Ų9534%0.33650%0.5SS..PPolyproline II helixtrans-58.9156.6166.562.60000110.3P156 S160 E161 F162P156-S158 PolarHBondContact O-N 3.32Å; S158-S160 PolarHBondContact O-N 2.91Å; S158-S160 VanDerWaalsContact O-N 3.13Å; S158-S160 PolarHBondContact OG-OG 3.42Å; S158-E161 WeakPolarHBondContact CB-OE2 3.48Å; S158-E161 PolarHBondContact N-OE2 3.21Å; S158-E161 PolarHBondContact O-N 2.92Å; S158-E161 WeakPolarHBondContact OG-CB 3.37Å; S158-E161 WeakPolarHBondContact OG-CG 3.37Å; S158-E161 PolarHBondContact OG-N 3.37Å; S158-E161 PolarHBondContact OG-OE2 3.01Å; S158-F162 PolarHBondContact O-N 3.44Å
159L49.7Very low52.1Low122 Ų12294.5 Ų94.564%0.63950%0.499SS*.Hα-helixtrans-55.4-34.2178.6-177.764.4000112.3K163L159-K163 WeakPolarHBondContact O-CB 3.32Å; L159-K163 VanDerWaalsContact O-CG 3.3Å; L159-K163 WeakPolarHBondContact O-CG 3.29Å; L159-K163 PolarHBondContact O-N 3.5Å
160S57.4Low51.1Low85 Ų8594.8 Ų94.859%0.59450%0.5SS*.Hα-helixtrans-67.4-42.9174.640.50000112.7S158 K163 K164S158-S160 PolarHBondContact O-N 2.91Å; S158-S160 VanDerWaalsContact O-N 3.13Å; S158-S160 PolarHBondContact OG-OG 3.42Å; S160-K163 PolarHBondContact O-N 3.03Å; S160-K164 WeakPolarHBondContact O-CB 3.39Å; S160-K164 PolarHBondContact O-N 3.44Å
161E55.4Low51.6Low98 Ų9890.9 Ų90.946%0.45849%0.486SS..Hα-helixtrans-68.4-37.5177.3-71.7164.9141.300111.3L157 S158 K164 S165L157-E161 HydrophobicContact CB-CB 4.14Å; L157-E161 HydrophobicContact CD2-CB 3.9Å; S158-E161 WeakPolarHBondContact CB-OE2 3.48Å; S158-E161 PolarHBondContact N-OE2 3.21Å; S158-E161 PolarHBondContact O-N 2.92Å; S158-E161 WeakPolarHBondContact OG-CB 3.37Å; S158-E161 WeakPolarHBondContact OG-CG 3.37Å; S158-E161 PolarHBondContact OG-N 3.37Å; S158-E161 PolarHBondContact OG-OE2 3.01Å; E161-K164 PolarHBondContact O-N 2.91Å; E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.41Å
162F48.3Very low52.3Low86 Ų8689.5 Ų89.538%0.37747%0.469SS..Hα-helixtrans-63.6-46.1172.7179.9-99000111.7L146 S158 K164 S165 R166L146-F162 HydrophobicContact CD2-CE2 4.42Å; S158-F162 PolarHBondContact O-N 3.44Å; F162-K164 VanDerWaalsContact C-N 3.3Å; F162-K164 PolarHBondContact O-N 3.01Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-R166 VanDerWaalsContact O-CB 3.25Å; F162-R166 WeakPolarHBondContact O-CB 3.33Å; F162-R166 PolarHBondContact O-N 3.33Å
163K53.9Low52.5Low115 Ų11588.6 Ų88.650%0.546%0.456SS..Hα-helixtrans-60.3-41.1176-78.5179178.8-173.90111.8L159 S160 H167L159-K163 WeakPolarHBondContact O-CB 3.32Å; L159-K163 VanDerWaalsContact O-CG 3.3Å; L159-K163 WeakPolarHBondContact O-CG 3.29Å; L159-K163 PolarHBondContact O-N 3.5Å; S160-K163 PolarHBondContact O-N 3.03Å; K163-H167 WeakPolarHBondContact O-CB 3.31Å; K163-H167 PolarHBondContact O-N 3.29Å
164K66.3Low53.6Low139 Ų13987.9 Ų87.960%0.60444%0.442SS*.Hα-helixtrans-65.6-51.9176.2-173.3-178.7176.7-175.30111.6S160 E161 F162 R166 H167 D168S160-K164 WeakPolarHBondContact O-CB 3.39Å; S160-K164 PolarHBondContact O-N 3.44Å; E161-K164 PolarHBondContact O-N 2.91Å; F162-K164 VanDerWaalsContact C-N 3.3Å; F162-K164 PolarHBondContact O-N 3.01Å; K164-R166 PolarHBondContact O-N 3.16Å; K164-H167 WeakPolarHBondContact O-CB 3.34Å; K164-H167 PolarHBondContact O-N 3.5Å; K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 2.93Å
165S53.3Low54.5Low24 Ų2489.9 Ų89.917%0.16845%0.452CS..Hα-helixtrans-55.1-41.1175.9-1790000111.6L145 E161 F162 F169L145-S165 PolarHBondContact O-OG 2.84Å; E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.41Å; F162-S165 PolarHBondContact O-N 3.49Å; S165-F169 VanDerWaalsContact O-CB 3.31Å; S165-F169 WeakPolarHBondContact O-CB 3.48Å; S165-F169 PolarHBondContact O-N 3.49Å
166R50Low55.3Low117 Ų11788.7 Ų88.744%0.44244%0.439SS..Hα-helixtrans-65-42.4174.5-173.2-177.870.3160.17.5112.7F162 K164 F169 L170F162-R166 VanDerWaalsContact O-CB 3.25Å; F162-R166 WeakPolarHBondContact O-CB 3.33Å; F162-R166 PolarHBondContact O-N 3.33Å; K164-R166 PolarHBondContact O-N 3.16Å; R166-F169 WeakPolarHBondContact O-CB 3.17Å; R166-F169 PolarHBondContact O-N 3.2Å; R166-L170 WeakPolarHBondContact O-CG 3.26Å; R166-L170 PolarHBondContact O-N 3.49Å
167H60.5Low55.6Low109 Ų10986.8 Ų86.851%0.50542%0.422SS..Hα-helixtrans-64.8-47.6176.2-178.876.6000111.1K163 K164 F169 L170 M171K163-H167 WeakPolarHBondContact O-CB 3.31Å; K163-H167 PolarHBondContact O-N 3.29Å; K164-H167 WeakPolarHBondContact O-CB 3.34Å; K164-H167 PolarHBondContact O-N 3.5Å; H167-F169 VanDerWaalsContact C-N 3.27Å; H167-F169 PolarHBondContact O-N 3.17Å; H167-L170 PolarHBondContact O-N 2.93Å; H167-L170 VanDerWaalsContact O-N 3.09Å; H167-M171 WeakPolarHBondContact O-CG 3.47Å; H167-M171 PolarHBondContact O-N 3.41Å
168D61.8Low56Low70 Ų7087.7 Ų87.737%0.37442%0.424SS..Hα-helixtrans-59.6-39.4177.2-64.7-14.3000110.9K164 M171 K172K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 2.93Å; D168-M171 PolarHBondContact O-N 2.86Å; D168-K172 WeakPolarHBondContact O-CB 3.36Å; D168-K172 WeakPolarHBondContact O-CG 3.38Å; D168-K172 PolarHBondContact O-N 2.77Å
169F51.8Low56.2Low33 Ų3391.8 Ų91.815%0.14543%0.433CS..Hα-helixtrans-60.2-49.1171.6171.9-114.3000112.7L104 I142 L145 S165 R166 H167 M171 K172 M173L104-F169 HydrophobicContact CD2-CE1 4.37Å; L104-F169 HydrophobicContact CD2-CZ 4.18Å; I142-F169 HydrophobicContact CD1-CZ 4.49Å; I142-F169 HydrophobicContact CG1-CE2 3.81Å; I142-F169 HydrophobicContact CG1-CZ 4.15Å; L145-F169 HydrophobicContact CD1-CB 3.76Å; L145-F169 HydrophobicContact CD1-CD2 3.21Å; L145-F169 HydrophobicContact CD1-CE2 4.06Å; L145-F169 HydrophobicContact CD1-CG 3.8Å; L145-F169 HydrophobicContact CD2-CB 4.4Å; S165-F169 VanDerWaalsContact O-CB 3.31Å; S165-F169 WeakPolarHBondContact O-CB 3.48Å; S165-F169 PolarHBondContact O-N 3.49Å; R166-F169 WeakPolarHBondContact O-CB 3.17Å; R166-F169 PolarHBondContact O-N 3.2Å; H167-F169 VanDerWaalsContact C-N 3.27Å; H167-F169 PolarHBondContact O-N 3.17Å; F169-M171 VanDerWaalsContact C-N 3.29Å; F169-M171 PolarHBondContact O-N 3.45Å; F169-K172 PolarHBondContact O-N 3.38Å; F169-M173 HydrophobicContact CD2-CG 3.96Å; F169-M173 HydrophobicContact CE1-CG 4.12Å; F169-M173 HydrophobicContact CE2-CG 3.53Å; F169-M173 HydrophobicContact CE2-SD 4.17Å; F169-M173 HydrophobicContact CG-CG 4.48Å; F169-M173 HydrophobicContact CZ-CG 3.63Å; F169-M173 HydrophobicContact CZ-SD 4.26Å; F169-M173 VanDerWaalsContact O-CB 3.31Å; F169-M173 WeakPolarHBondContact O-CB 3Å; F169-M173 WeakPolarHBondContact O-CG 3.48Å; F169-M173 PolarHBondContact O-N 3.37Å
170L49.6Very low55.9Low76 Ų7691.6 Ų91.640%0.39842%0.424SS..Hα-helixtrans-62.3-38.1179.5-72.4171.3000111.6R166 H167 M173 K174R166-L170 WeakPolarHBondContact O-CG 3.26Å; R166-L170 PolarHBondContact O-N 3.49Å; H167-L170 PolarHBondContact O-N 2.93Å; H167-L170 VanDerWaalsContact O-N 3.09Å; L170-M173 PolarHBondContact O-N 3.05Å; L170-K174 WeakPolarHBondContact O-CB 3.13Å; L170-K174 PolarHBondContact O-N 2.83Å
171M66.7Low55.7Low85 Ų8592.1 Ų92.142%0.41942%0.417SS..Hα-helixtrans-68.3-46.4177-66.2-58.7-73.200112H167 D168 F169 M173 K174 E175H167-M171 WeakPolarHBondContact O-CG 3.47Å; H167-M171 PolarHBondContact O-N 3.41Å; D168-M171 PolarHBondContact O-N 2.86Å; F169-M171 VanDerWaalsContact C-N 3.29Å; F169-M171 PolarHBondContact O-N 3.45Å; M171-M173 VanDerWaalsContact C-N 3.3Å; M171-M173 PolarHBondContact O-N 3.17Å; M171-K174 WeakPolarHBondContact O-CB 3.32Å; M171-K174 PolarHBondContact O-N 3.13Å; M171-K174 VanDerWaalsContact O-N 3.14Å; M171-E175 PolarHBondContact O-N 3.35Å
172K62Low55.9Low93 Ų9390.8 Ų90.840%0.40442%0.418SS..Hα-helixtrans-59.3-41.2172.4-78.4-179.7166-164.50112.4E141 D168 F169 K174 E175 Q176E141-K172 IonicContact OE1-NZ 2.84Å; E141-K172 PolarHBondContact OE1-NZ 3.25Å; D168-K172 WeakPolarHBondContact O-CB 3.36Å; D168-K172 WeakPolarHBondContact O-CG 3.38Å; D168-K172 PolarHBondContact O-N 2.77Å; F169-K172 PolarHBondContact O-N 3.38Å; K172-K174 VanDerWaalsContact C-N 3.32Å; K172-K174 PolarHBondContact O-N 2.86Å; K172-E175 PolarHBondContact O-N 3.01Å; K172-Q176 WeakPolarHBondContact O-CG 3.47Å; K172-Q176 PolarHBondContact O-N 3.04Å
173M46.2Very low56.1Low37 Ų3789.2 Ų89.218%0.18241%0.413CS..Hα-helixtrans-61.7-40.6175.4-84.8-67.6-71.800111.9L104 F138 F169 L170 M171 Q176 L177L104-M173 HydrophobicContact CD2-CE 4.36Å; F138-M173 HydrophobicContact CE2-CE 4.36Å; F138-M173 HydrophobicContact CE2-SD 3.36Å; F138-M173 WeakPolarHBondContact CE2-SD 3.36Å; F138-M173 HydrophobicContact CZ-CE 3.92Å; F138-M173 HydrophobicContact CZ-SD 3.45Å; F138-M173 WeakPolarHBondContact CZ-SD 3.46Å; F169-M173 HydrophobicContact CD2-CG 3.96Å; F169-M173 HydrophobicContact CE1-CG 4.12Å; F169-M173 HydrophobicContact CE2-CG 3.53Å; F169-M173 HydrophobicContact CE2-SD 4.17Å; F169-M173 HydrophobicContact CG-CG 4.48Å; F169-M173 HydrophobicContact CZ-CG 3.63Å; F169-M173 HydrophobicContact CZ-SD 4.26Å; F169-M173 VanDerWaalsContact O-CB 3.31Å; F169-M173 WeakPolarHBondContact O-CB 3Å; F169-M173 WeakPolarHBondContact O-CG 3.48Å; F169-M173 PolarHBondContact O-N 3.37Å; L170-M173 PolarHBondContact O-N 3.05Å; M171-M173 VanDerWaalsContact C-N 3.3Å; M171-M173 PolarHBondContact O-N 3.17Å; M173-Q176 PolarHBondContact O-N 3.41Å; M173-L177 WeakPolarHBondContact O-CB 3.29Å; M173-L177 WeakPolarHBondContact O-CG 3.47Å; M173-L177 PolarHBondContact O-N 3.39Å
174K58.6Low55.8Low118 Ų11886.7 Ų86.751%0.51341%0.405SS..Hα-helixtrans-61.6-44.1174.7-174.8-178.2177.9-178.70111.5L170 M171 K172 L177 Q178L170-K174 WeakPolarHBondContact O-CB 3.13Å; L170-K174 PolarHBondContact O-N 2.83Å; M171-K174 WeakPolarHBondContact O-CB 3.32Å; M171-K174 PolarHBondContact O-N 3.13Å; M171-K174 VanDerWaalsContact O-N 3.14Å; K172-K174 VanDerWaalsContact C-N 3.32Å; K172-K174 PolarHBondContact O-N 2.86Å; K174-L177 PolarHBondContact O-N 3.07Å; K174-Q178 WeakPolarHBondContact O-CG 3.43Å; K174-Q178 PolarHBondContact O-N 2.95Å
175E62.2Low55.3Low120 Ų12085.4 Ų85.456%0.56140%0.403SS*.Hα-helixtrans-62.6-44.5175.8-70.2174179.500111.9M171 K172 Q178 Y179M171-E175 PolarHBondContact O-N 3.35Å; K172-E175 PolarHBondContact O-N 3.01Å; E175-Q178 PolarHBondContact O-N 3.01Å; E175-Y179 WeakPolarHBondContact O-CB 3.3Å; E175-Y179 PolarHBondContact O-N 3.01Å
176Q53.8Low55.3Low89 Ų8989.8 Ų89.842%0.41642%0.421SS..Hα-helixtrans-63.7-42.9175.7-69.5-61.4-44.800111.3K172 M173 Q178 Y179 W180K172-Q176 WeakPolarHBondContact O-CG 3.47Å; K172-Q176 PolarHBondContact O-N 3.04Å; M173-Q176 PolarHBondContact O-N 3.41Å; Q176-Q178 VanDerWaalsContact C-N 3.33Å; Q176-Q178 PolarHBondContact O-N 3.44Å; Q176-Y179 WeakPolarHBondContact O-CB 3.25Å; Q176-Y179 PolarHBondContact O-N 3.49Å; Q176-W180 PolarHBondContact O-N 2.87Å
177L50.8Low54.8Low78 Ų7887.3 Ų87.341%0.40842%0.421SS..Hα-helixtrans-58.7-43.4174.4-88.9157.8000111.8M173 K174 W180 Q181M173-L177 WeakPolarHBondContact O-CB 3.29Å; M173-L177 WeakPolarHBondContact O-CG 3.47Å; M173-L177 PolarHBondContact O-N 3.39Å; K174-L177 PolarHBondContact O-N 3.07Å; L177-W180 PolarHBondContact O-N 3.26Å; L177-Q181 WeakPolarHBondContact O-CB 3.37Å; L177-Q181 VanDerWaalsContact O-CG 3.25Å; L177-Q181 WeakPolarHBondContact O-CG 3.1Å; L177-Q181 PolarHBondContact O-N 2.97Å
178Q62.2Low54Low100 Ų10084.8 Ų84.847%0.46741%0.414SS..Hα-helixtrans-63.8-42.6174.9-74.6177.9-24.800111.9K174 E175 Q176 Q181 C182K174-Q178 WeakPolarHBondContact O-CG 3.43Å; K174-Q178 PolarHBondContact O-N 2.95Å; E175-Q178 PolarHBondContact O-N 3.01Å; Q176-Q178 VanDerWaalsContact C-N 3.33Å; Q176-Q178 PolarHBondContact O-N 3.44Å; Q178-Q181 WeakPolarHBondContact O-CB 3.18Å; Q178-Q181 PolarHBondContact O-N 3.38Å; Q178-C182 PolarHBondContact O-N 2.99Å; Q178-C182 PolarHBondContact O-SG 2.94Å; Q178-C182 VanDerWaalsContact O-SG 3.36Å
179Y60.5Low53.2Low133 Ų13386.1 Ų86.152%0.52243%0.429SS..Hα-helixtrans-59.9-46.2174.4175.2-103.3000112.1E175 Q176 C182 L183E175-Y179 WeakPolarHBondContact O-CB 3.3Å; E175-Y179 PolarHBondContact O-N 3.01Å; Q176-Y179 WeakPolarHBondContact O-CB 3.25Å; Q176-Y179 PolarHBondContact O-N 3.49Å; Y179-C182 WeakPolarHBondContact O-CB 3.21Å; Y179-C182 PolarHBondContact O-N 3.29Å; Y179-L183 HydrophobicContact CD1-CD1 3.93Å; Y179-L183 HydrophobicContact CE1-CD1 3.31Å; Y179-L183 HydrophobicContact CE1-CG 4.2Å; Y179-L183 HydrophobicContact CE2-CD1 4.42Å; Y179-L183 PolarHBondContact O-N 3.13Å
180W43.1Very low52.5Low119 Ų11990.1 Ų90.145%0.45145%0.449SS..Hα-helixtrans-67.8-36176.9-74.7111.1000112.4Q176 L177 L183 I184Q176-W180 PolarHBondContact O-N 2.87Å; L177-W180 PolarHBondContact O-N 3.26Å; W180-L183 HydrophobicContact CD2-CD1 4.37Å; W180-L183 HydrophobicContact CE3-CD1 3.75Å; W180-L183 HydrophobicContact CZ3-CD1 3.85Å; W180-L183 PolarHBondContact O-N 3.42Å; W180-I184 WeakPolarHBondContact O-CB 3.39Å; W180-I184 WeakPolarHBondContact O-CD1 3.48Å; W180-I184 WeakPolarHBondContact O-CG1 3.38Å; W180-I184 PolarHBondContact O-N 3.42Å
181Q53.4Low52.1Low95 Ų9593 Ų9344%0.44446%0.459SS..Hα-helixtrans-59.8-46.3170.9-79.1173.3-16.500110.9L177 Q178 L183 I184 I185L177-Q181 WeakPolarHBondContact O-CB 3.37Å; L177-Q181 VanDerWaalsContact O-CG 3.25Å; L177-Q181 WeakPolarHBondContact O-CG 3.1Å; L177-Q181 PolarHBondContact O-N 2.97Å; Q178-Q181 WeakPolarHBondContact O-CB 3.18Å; Q178-Q181 PolarHBondContact O-N 3.38Å; Q181-L183 PolarHBondContact O-N 2.89Å; Q181-I184 PolarHBondContact O-N 2.81Å; Q181-I185 WeakPolarHBondContact O-CB 3.36Å; Q181-I185 VanDerWaalsContact O-CG1 3.25Å; Q181-I185 WeakPolarHBondContact O-CG1 3.46Å; Q181-I185 PolarHBondContact O-N 3.4Å
182C59.4Low50.8Low70 Ų7098.2 Ų98.247%0.47348%0.482SS..Hα-helixtrans-59-45.3174.7-730000112Q178 Y179 I184 I185 Q186Q178-C182 PolarHBondContact O-N 2.99Å; Q178-C182 PolarHBondContact O-SG 2.94Å; Q178-C182 VanDerWaalsContact O-SG 3.36Å; Y179-C182 WeakPolarHBondContact O-CB 3.21Å; Y179-C182 PolarHBondContact O-N 3.29Å; C182-I184 VanDerWaalsContact C-N 3.35Å; C182-I184 PolarHBondContact O-N 2.71Å; C182-I185 PolarHBondContact O-N 2.8Å; C182-Q186 WeakPolarHBondContact O-CB 3.48Å; C182-Q186 VanDerWaalsContact O-CG 3.28Å; C182-Q186 WeakPolarHBondContact O-CG 3.2Å; C182-Q186 PolarHBondContact O-N 2.99Å
183L52Low49.3Very low53 Ų5397.2 Ų97.228%0.27749%0.487SS..Hα-helixtrans-63.6-37.4175.4-77.2174.2000112.7Y179 W180 Q181 S187Y179-L183 HydrophobicContact CD1-CD1 3.93Å; Y179-L183 HydrophobicContact CE1-CD1 3.31Å; Y179-L183 HydrophobicContact CE1-CG 4.2Å; Y179-L183 HydrophobicContact CE2-CD1 4.42Å; Y179-L183 PolarHBondContact O-N 3.13Å; W180-L183 HydrophobicContact CD2-CD1 4.37Å; W180-L183 HydrophobicContact CE3-CD1 3.75Å; W180-L183 HydrophobicContact CZ3-CD1 3.85Å; W180-L183 PolarHBondContact O-N 3.42Å; Q181-L183 PolarHBondContact O-N 2.89Å; L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.19Å; L183-S187 PolarHBondContact O-OG 3.09Å
184I47.4Very low48.5Very low63 Ų63101.9 Ų101.932%0.32351%0.512SS..Hα-helixtrans-68.4-40.1176.3-69.7164.1000110.6W180 Q181 C182 S187 T188 L222W180-I184 WeakPolarHBondContact O-CB 3.39Å; W180-I184 WeakPolarHBondContact O-CD1 3.48Å; W180-I184 WeakPolarHBondContact O-CG1 3.38Å; W180-I184 PolarHBondContact O-N 3.42Å; Q181-I184 PolarHBondContact O-N 2.81Å; C182-I184 VanDerWaalsContact C-N 3.35Å; C182-I184 PolarHBondContact O-N 2.71Å; I184-S187 WeakPolarHBondContact CA-OG 3.47Å; I184-S187 PolarHBondContact O-OG 3.02Å; I184-S187 VanDerWaalsContact O-OG 3.05Å; I184-T188 WeakPolarHBondContact O-CB 3.11Å; I184-T188 WeakPolarHBondContact O-CG2 3.41Å; I184-T188 PolarHBondContact O-N 3.37Å; I184-T188 PolarHBondContact O-OG1 3.03Å; I184-L222 HydrophobicContact CD1-CD2 4.31Å; I184-L222 HydrophobicContact CG2-CD2 4.32Å
185I56.1Low47.1Very low111 Ų111105.1 Ų105.157%0.56953%0.526SS*.Hα-helixtrans-65.6-45.7174.7-67.7164.5000110.3Q181 C182 S187 T188 S189Q181-I185 WeakPolarHBondContact O-CB 3.36Å; Q181-I185 VanDerWaalsContact O-CG1 3.25Å; Q181-I185 WeakPolarHBondContact O-CG1 3.46Å; Q181-I185 PolarHBondContact O-N 3.4Å; C182-I185 PolarHBondContact O-N 2.8Å; I185-S187 PolarHBondContact O-N 3.09Å; I185-T188 WeakPolarHBondContact CA-OG1 3.35Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 PolarHBondContact O-OG1 2.89Å; I185-S189 WeakPolarHBondContact O-CB 3.43Å; I185-S189 PolarHBondContact O-N 3.41Å
186Q52.6Low45.5Very low117 Ų117104.9 Ų104.955%0.54754%0.535SS..Hα-helixtrans-63.1-42.6177-74.5176.3-10.900112.1C182 T188 S189 M190C182-Q186 WeakPolarHBondContact O-CB 3.48Å; C182-Q186 VanDerWaalsContact O-CG 3.28Å; C182-Q186 WeakPolarHBondContact O-CG 3.2Å; C182-Q186 PolarHBondContact O-N 2.99Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.44Å; Q186-S189 PolarHBondContact O-N 3.07Å; Q186-M190 WeakPolarHBondContact O-CB 3.46Å; Q186-M190 WeakPolarHBondContact O-CG 3.29Å; Q186-M190 PolarHBondContact O-N 2.91Å
187S41.3Very low44.5Very low64 Ų64105.8 Ų105.845%0.44855%0.55SS..Hα-helixtrans-72.6-21.4176.962.70000113.9L183 I184 I185L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.19Å; L183-S187 PolarHBondContact O-OG 3.09Å; I184-S187 WeakPolarHBondContact CA-OG 3.47Å; I184-S187 PolarHBondContact O-OG 3.02Å; I184-S187 VanDerWaalsContact O-OG 3.05Å; I185-S187 PolarHBondContact O-N 3.09Å
188T43.3Very low43.7Very low56 Ų56107.6 Ų107.634%0.34456%0.564SS.*Hα-helixtrans-82.9-29.417145.20000112.6I184 I185 Q186I184-T188 WeakPolarHBondContact O-CB 3.11Å; I184-T188 WeakPolarHBondContact O-CG2 3.41Å; I184-T188 PolarHBondContact O-N 3.37Å; I184-T188 PolarHBondContact O-OG1 3.03Å; I185-T188 WeakPolarHBondContact CA-OG1 3.35Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 PolarHBondContact O-OG1 2.89Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.44Å
189S45Very low42.2Very low99 Ų99110.6 Ų110.669%0.69258%0.578SS**Hα-helixtrans-70.5-36.3169.2179.90000112.5I185 Q186 K191I185-S189 WeakPolarHBondContact O-CB 3.43Å; I185-S189 PolarHBondContact O-N 3.41Å; Q186-S189 PolarHBondContact O-N 3.07Å; S189-K191 PolarHBondContact O-N 3.19Å
190M37.4Very low40.9Very low117 Ų117113.1 Ų113.158%0.57660%0.597SS**THydrogen-bonded Turntrans-76.68.5176-76.5-175.7149.200115.1Q186 Q192 S193Q186-M190 WeakPolarHBondContact O-CB 3.46Å; Q186-M190 WeakPolarHBondContact O-CG 3.29Å; Q186-M190 PolarHBondContact O-N 2.91Å; M190-Q192 PolarHBondContact O-N 3.32Å; M190-S193 PolarHBondContact O-N 3.16Å
191K40.2Very low40.3Very low137 Ų137114.8 Ų114.860%0.59661%0.614SS**THydrogen-bonded Turntrans-69.58.6-179.8-82.5-174.6175.5-173.40115.7S189S189-K191 PolarHBondContact O-N 3.19Å
192Q39.6Very low39.3Very low194 Ų194114.8 Ų114.891%0.90762%0.624SS**THydrogen-bonded Turntrans-117.7-4.8173.5-73.2-176.4-10.900114.4M190M190-Q192 PolarHBondContact O-N 3.32Å
193S29.9Very low37.9Very low72 Ų72114.9 Ų114.950%0.50364%0.637SS.*SBendtrans-152.4134.4178.655.40000110M190M190-S193 PolarHBondContact O-N 3.16Å
194L29.7Very low36.9Very low135 Ų135117 Ų11771%0.70766%0.655SS**  trans80.379.7173-53.2127.3000116.3
195F29.5Very low36.1Very low185 Ų185119 Ų11981%0.81168%0.675SS**  trans-164.595.8132.1-96.2-67.9000109.9C197F195-C197 PolarHBondContact O-N 3.12Å
196P28.1Very low35.1Very low115 Ų115118.7 Ų118.775%0.74768%0.683SS**  trans-79.540.7176.932.6-32.7000113.4
197C32.2Very low34.3Very low108 Ų108119.9 Ų119.973%0.7370%0.698SS**  trans-98.314.2175.5-72.90000113.5F195F195-C197 PolarHBondContact O-N 3.12Å
198T34.1Very low33.8Very low117 Ų117123.9 Ų123.972%0.71871%0.714SS**  trans-84.8-7.8178.130.70000114.3
199E32.2Very low33.4Very low163 Ų163126.5 Ų126.576%0.76273%0.732SS**THydrogen-bonded Turntrans-85.1-10.3-173.9-75.8-172.1156.600116S202E199-S202 PolarHBondContact O-OG 2.71Å
200M31.3Very low33Very low186 Ų186129.8 Ų129.892%0.91674%0.741SS**THydrogen-bonded Turntrans-90.71.6175.8-85.7-165.679.600115.2
201L31.1Very low33.3Very low154 Ų154131.9 Ų131.981%0.80675%0.749SS**SBendtrans-121.412.7178.7-73.1168.3000113.6G203L201-G203 PolarHBondContact O-N 3.46Å
202S32.8Very low33Very low94 Ų94128.9 Ų128.966%0.65774%0.744SS**THydrogen-bonded Turntrans-74.8-3.7177.6560000114.3E199E199-S202 PolarHBondContact O-OG 2.71Å
203G30.8Very low32.9Very low72 Ų72124.6 Ų124.674%0.74273%0.731SS**THydrogen-bonded Turntrans-87.3-2.2178.600000116.3L201L201-G203 PolarHBondContact O-N 3.46Å
204C30.1Very low33.1Very low98 Ų98130.2 Ų130.266%0.66274%0.742SS**  trans-120.158.8-177.1-89.70000112.1S206C204-S206 PolarHBondContact O-N 3.03Å
205S30.3Very low33.6Very low106 Ų106126.9 Ų126.974%0.74173%0.729SS**  trans-88.469.1174.943.70000111.5
206S35.1Very low34.3Very low104 Ų104120.9 Ų120.973%0.72771%0.71SS**SBendtrans171.473.3155.641.60000112C204C204-S206 PolarHBondContact O-N 3.03Å
207T36Very low35Very low142 Ų142117.5 Ų117.587%0.87169%0.687SS**  trans173.46.5154.440.20000115.7P209T207-P209 WeakPolarHBondContact O-CD 3.4Å
208L31Very low35.4Very low148 Ų148116.2 Ų116.278%0.77567%0.667SS**  trans-84122.4-176.3-93.1124.5000113.4
209P35.7Very low35.7Very low110 Ų110114.7 Ų114.771%0.71465%0.654SS**  trans-66.2138.1178.5-15.529000112.1T207 H211T207-P209 WeakPolarHBondContact O-CD 3.4Å; P209-H211 PolarHBondContact O-N 3.34Å
210L36.8Very low36.4Very low169 Ų169113.7 Ų113.789%0.88565%0.647SS**SBendtrans-56.414.2-179.6-90.3139.8000117.5
211H42.7Very low36.7Very low161 Ų161108.3 Ų108.375%0.74562%0.622SS**SBendtrans-143.198.6174.1-70.5-60.3000110.7P209 T213P209-H211 PolarHBondContact O-N 3.34Å; H211-T213 PolarHBondContact O-N 2.88Å
212C34.7Very low36.9Very low74 Ų74103.8 Ų103.850%0.560%0.598SS.*  trans-58.8114.9168.4179.10000109W214 C215 S216C212-W214 PolarHBondContact O-N 3.35Å; C212-W214 VanDerWaalsContact O-N 3.15Å; C212-W214 WeakPolarHBondContact SG-CB 3.26Å; C212-C215 HydrophobicContact CB-CB 4.31Å; C212-C215 WeakPolarHBondContact O-CB 3.16Å; C212-C215 PolarHBondContact O-N 3.08Å; C212-S216 PolarHBondContact O-N 3.27Å; C212-S216 VanDerWaalsContact O-N 3.16Å
213T37.6Very low37.3Very low104 Ų104106.4 Ų106.464%0.63860%0.599SS**Hα-helixtrans-55-30177.1320000112H211 S216 V217H211-T213 PolarHBondContact O-N 2.88Å; T213-S216 PolarHBondContact O-N 2.98Å; T213-V217 WeakPolarHBondContact O-CB 3.32Å; T213-V217 VanDerWaalsContact O-CG2 3.25Å; T213-V217 WeakPolarHBondContact O-CG2 3.15Å; T213-V217 PolarHBondContact O-N 3.28Å
214W33.6Very low37.7Very low190 Ų190108.3 Ų108.372%0.7260%0.596SS**Hα-helixtrans-63.1-45172.7-165.6-115.7000112.3C212 S216 V217 R218C212-W214 PolarHBondContact O-N 3.35Å; C212-W214 VanDerWaalsContact O-N 3.15Å; C212-W214 WeakPolarHBondContact SG-CB 3.26Å; W214-S216 PolarHBondContact O-N 3.07Å; W214-V217 PolarHBondContact O-N 3.28Å; W214-R218 WeakPolarHBondContact O-CB 3.4Å; W214-R218 PolarHBondContact O-N 2.73Å
215C40Very low38Very low65 Ų65109.5 Ų109.544%0.43959%0.591SS.*Hα-helixtrans-67.1-36.9177.6-630000112.2C212 N219C212-C215 HydrophobicContact CB-CB 4.31Å; C212-C215 WeakPolarHBondContact O-CB 3.16Å; C212-C215 PolarHBondContact O-N 3.08Å; C215-N219 WeakPolarHBondContact O-CB 3.47Å; C215-N219 PolarHBondContact O-N 3.47Å; C215-N219 PolarHBondContact O-ND2 2.86Å
216S44.6Very low38.5Very low58 Ų58107.8 Ų107.841%0.40658%0.583SS.*Hα-helixtrans-67.9-42.6175.5-1760000112.5C212 T213 W214 N219 K220C212-S216 PolarHBondContact O-N 3.27Å; C212-S216 VanDerWaalsContact O-N 3.16Å; T213-S216 PolarHBondContact O-N 2.98Å; W214-S216 PolarHBondContact O-N 3.07Å; S216-N219 PolarHBondContact O-N 3.14Å; S216-K220 WeakPolarHBondContact O-CG 3.37Å; S216-K220 PolarHBondContact O-N 3.25Å
217V42.9Very low39Very low45 Ų45106.9 Ų106.927%0.27357%0.57SS.*Hα-helixtrans-70.6-42.3178.1171.40000111.1T213 W214 N219 K220 I221T213-V217 WeakPolarHBondContact O-CB 3.32Å; T213-V217 VanDerWaalsContact O-CG2 3.25Å; T213-V217 WeakPolarHBondContact O-CG2 3.15Å; T213-V217 PolarHBondContact O-N 3.28Å; W214-V217 PolarHBondContact O-N 3.28Å; V217-N219 VanDerWaalsContact C-N 3.32Å; V217-N219 PolarHBondContact O-N 3.22Å; V217-K220 PolarHBondContact O-N 3.31Å; V217-I221 HydrophobicContact CG1-CD1 3.63Å; V217-I221 HydrophobicContact CG1-CG1 4.22Å; V217-I221 WeakPolarHBondContact O-CB 3.33Å; V217-I221 WeakPolarHBondContact O-CG1 3.49Å; V217-I221 PolarHBondContact O-N 2.97Å
218R39.2Very low39.5Very low81 Ų81107 Ų10731%0.30656%0.561SS.*Hα-helixtrans-55.2-47.8172.5-171.1-172.392.4155.219.6111.1W214 K220 I221 L222W214-R218 WeakPolarHBondContact O-CB 3.4Å; W214-R218 PolarHBondContact O-N 2.73Å; R218-K220 PolarHBondContact O-N 2.79Å; R218-I221 PolarHBondContact O-N 3.35Å; R218-L222 HydrophobicContact CG-CD1 3.89Å; R218-L222 HydrophobicContact CG-CG 4.44Å; R218-L222 VanDerWaalsContact O-CB 3.26Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 WeakPolarHBondContact O-CG 3.36Å; R218-L222 PolarHBondContact O-N 3.25Å
219N41.7Very low40.2Very low85 Ų85108.1 Ų108.146%0.45556%0.559SS.*Hα-helixtrans-69.1-31.3179.4-70.6-7.7000112.7C215 S216 V217 H223C215-N219 WeakPolarHBondContact O-CB 3.47Å; C215-N219 PolarHBondContact O-N 3.47Å; C215-N219 PolarHBondContact O-ND2 2.86Å; S216-N219 PolarHBondContact O-N 3.14Å; V217-N219 VanDerWaalsContact C-N 3.32Å; V217-N219 PolarHBondContact O-N 3.22Å; N219-H223 WeakPolarHBondContact O-CB 3.41Å; N219-H223 PolarHBondContact O-CD2 2.8Å; N219-H223 PolarHBondContact O-N 3.38Å
220K46.9Very low40.9Very low142 Ų142109.1 Ų109.162%0.61755%0.554SS**Hα-helixtrans-70.5-43.2173.3-77.9-179.7178.4-173.50112.8S216 V217 R218 H223 V224S216-K220 WeakPolarHBondContact O-CG 3.37Å; S216-K220 PolarHBondContact O-N 3.25Å; V217-K220 PolarHBondContact O-N 3.31Å; R218-K220 PolarHBondContact O-N 2.79Å; K220-H223 WeakPolarHBondContact O-CB 3.5Å; K220-H223 PolarHBondContact O-N 3.45Å; K220-V224 WeakPolarHBondContact O-CG2 3.38Å; K220-V224 PolarHBondContact O-N 3.47Å
221I37.6Very low41.3Very low73 Ų73106.2 Ų106.237%0.37454%0.539SS..Hα-helixtrans-66.5-44176.8-68.2173.8000109.8V217 R218 H223 V224 F225V217-I221 HydrophobicContact CG1-CD1 3.63Å; V217-I221 HydrophobicContact CG1-CG1 4.22Å; V217-I221 WeakPolarHBondContact O-CB 3.33Å; V217-I221 WeakPolarHBondContact O-CG1 3.49Å; V217-I221 PolarHBondContact O-N 2.97Å; R218-I221 PolarHBondContact O-N 3.35Å; I221-H223 VanDerWaalsContact C-N 3.28Å; I221-H223 PolarHBondContact O-N 3Å; I221-V224 PolarHBondContact O-N 3.13Å; I221-V224 VanDerWaalsContact O-N 3.17Å; I221-F225 HydrophobicContact CG2-CD2 3.63Å; I221-F225 HydrophobicContact CG2-CE2 3.52Å; I221-F225 WeakPolarHBondContact O-CD2 3.47Å; I221-F225 PolarHBondContact O-N 3.07Å
222L35.7Very low41.5Very low59 Ų59102.3 Ų102.331%0.30952%0.523SS..Hα-helixtrans-61.5-35.4172.7-71171.6000111.9I184 R218 F225 A226I184-L222 HydrophobicContact CD1-CD2 4.31Å; I184-L222 HydrophobicContact CG2-CD2 4.32Å; R218-L222 HydrophobicContact CG-CD1 3.89Å; R218-L222 HydrophobicContact CG-CG 4.44Å; R218-L222 VanDerWaalsContact O-CB 3.26Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 WeakPolarHBondContact O-CG 3.36Å; R218-L222 PolarHBondContact O-N 3.25Å; L222-F225 CarbonylContact O-C 3.5Å; L222-F225 PolarHBondContact O-N 3.39Å; L222-A226 WeakPolarHBondContact O-CA 3.33Å; L222-A226 WeakPolarHBondContact O-CB 3.36Å; L222-A226 PolarHBondContact O-N 3.09Å
223H41.3Very low42.2Very low148 Ų148101.8 Ų101.869%0.68552%0.52SS*.Hα-helixtrans-66.3-37.2173.1-104.6-71.3000113.5N219 K220 I221 F225 A226N219-H223 WeakPolarHBondContact O-CB 3.41Å; N219-H223 PolarHBondContact O-CD2 2.8Å; N219-H223 PolarHBondContact O-N 3.38Å; K220-H223 WeakPolarHBondContact O-CB 3.5Å; K220-H223 PolarHBondContact O-N 3.45Å; I221-H223 VanDerWaalsContact C-N 3.28Å; I221-H223 PolarHBondContact O-N 3Å; H223-F225 VanDerWaalsContact C-N 3.3Å; H223-A226 PolarHBondContact O-N 3.25Å
224V39.1Very low42.5Very low112 Ų112102 Ų10268%0.67952%0.517SS*.Hα-helixtrans-67.6-32.3175.5171.70000111.4K220 I221K220-V224 WeakPolarHBondContact O-CG2 3.38Å; K220-V224 PolarHBondContact O-N 3.47Å; I221-V224 PolarHBondContact O-N 3.13Å; I221-V224 VanDerWaalsContact O-N 3.17Å
225F36.4Very low42.7Very low124 Ų12497 Ų9754%0.54450%0.503SS..Hα-helixtrans-92.3-8.7176.7-68.9-64.5000114.4I221 L222 H223I221-F225 HydrophobicContact CG2-CD2 3.63Å; I221-F225 HydrophobicContact CG2-CE2 3.52Å; I221-F225 WeakPolarHBondContact O-CD2 3.47Å; I221-F225 PolarHBondContact O-N 3.07Å; L222-F225 CarbonylContact O-C 3.5Å; L222-F225 PolarHBondContact O-N 3.39Å; H223-F225 VanDerWaalsContact C-N 3.3Å
226A40.6Very low43Very low70 Ų7096.7 Ų96.758%0.57950%0.5SS*.Hα-helixtrans-91.6-10.8-179.300000113.5L222 H223 E228L222-A226 WeakPolarHBondContact O-CA 3.33Å; L222-A226 WeakPolarHBondContact O-CB 3.36Å; L222-A226 PolarHBondContact O-N 3.09Å; H223-A226 PolarHBondContact O-N 3.25Å; A226-E228 PolarHBondContact O-N 3.42Å
227D45.6Very low43.3Very low84 Ų84101.5 Ų101.545%0.44952%0.516SS..  trans-81.573.8170.7-144.8-22.7000109.8K229 E230 L231D227-K229 PolarHBondContact O-N 3.24Å; D227-E230 HydrophobicContact CB-CB 4.5Å; D227-E230 PolarHBondContact O-N 2.96Å; D227-E230 VanDerWaalsContact O-N 3.07Å; D227-L231 PolarHBondContact O-N 3.47Å
228E45.2Very low43.1Very low146 Ų146105.4 Ų105.468%0.68253%0.531SS*.Hα-helixtrans-51.8-27.4178.5-156.1176.5-169.200111.4A226 I232A226-E228 PolarHBondContact O-N 3.42Å; E228-I232 HydrophobicContact CG-CD1 3.85Å; E228-I232 WeakPolarHBondContact O-CB 3.31Å; E228-I232 WeakPolarHBondContact O-CD1 3.37Å; E228-I232 WeakPolarHBondContact O-CG1 3.5Å; E228-I232 PolarHBondContact O-N 2.82Å; E228-I232 VanDerWaalsContact O-N 3.07Å
229K46.9Very low43.2Very low170 Ų170106 Ų10674%0.73953%0.534SS*.Hα-helixtrans-74.4-37.1179.1-68.1-176.3179.1-179.80113.6D227 S233D227-K229 PolarHBondContact O-N 3.24Å; K229-S233 WeakPolarHBondContact O-CB 3.44Å; K229-S233 PolarHBondContact O-N 3.22Å
230E50.2Low43.2Very low132 Ų132107.4 Ų107.462%0.61755%0.551SS**Hα-helixtrans-72-42.4178-93-166.1158.800111.4D227 S233 L234D227-E230 HydrophobicContact CB-CB 4.5Å; D227-E230 PolarHBondContact O-N 2.96Å; D227-E230 VanDerWaalsContact O-N 3.07Å; E230-S233 PolarHBondContact O-N 3.44Å; E230-L234 WeakPolarHBondContact O-CB 3.31Å; E230-L234 VanDerWaalsContact O-CG 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.47Å; E230-L234 PolarHBondContact O-N 3.21Å
231L44Very low42.8Very low107 Ų107105.4 Ų105.456%0.5655%0.545SS*.Hα-helixtrans-67.1-42.5177.6-165.778.8000111.4D227 L235D227-L231 PolarHBondContact O-N 3.47Å; L231-L235 HydrophobicContact CG-CD1 4.24Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 WeakPolarHBondContact O-CD1 3.26Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 2.95Å
232I47.7Very low42.8Very low79 Ų79107.1 Ų107.141%0.40556%0.562SS.*Hα-helixtrans-66.9-39.4174.5-68.4171.8000110.5E228 L235 T236E228-I232 HydrophobicContact CG-CD1 3.85Å; E228-I232 WeakPolarHBondContact O-CB 3.31Å; E228-I232 WeakPolarHBondContact O-CD1 3.37Å; E228-I232 WeakPolarHBondContact O-CG1 3.5Å; E228-I232 PolarHBondContact O-N 2.82Å; E228-I232 VanDerWaalsContact O-N 3.07Å; I232-L235 PolarHBondContact O-N 2.83Å; I232-T236 VanDerWaalsContact O-CB 3.26Å; I232-T236 WeakPolarHBondContact O-CB 3.43Å; I232-T236 PolarHBondContact O-N 3.4Å; I232-T236 PolarHBondContact O-OG1 2.94Å
233S50Low43Very low64 Ų64109 Ų10945%0.44858%0.575SS.*Hα-helixtrans-61.5-46.7175.4-172.50000111.6K229 E230 L235 T236 E237K229-S233 WeakPolarHBondContact O-CB 3.44Å; K229-S233 PolarHBondContact O-N 3.22Å; E230-S233 PolarHBondContact O-N 3.44Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 3.39Å; S233-T236 PolarHBondContact O-N 3.45Å; S233-T236 VanDerWaalsContact O-N 3.16Å; S233-E237 VanDerWaalsContact O-CB 3.23Å; S233-E237 WeakPolarHBondContact O-CB 3.48Å; S233-E237 PolarHBondContact O-N 2.94Å
234L43.1Very low42.8Very low108 Ų108107.4 Ų107.457%0.56558%0.576SS**Hα-helixtrans-61.4-40.1176.6-73.9166.6000111.9E230 E238E230-L234 WeakPolarHBondContact O-CB 3.31Å; E230-L234 VanDerWaalsContact O-CG 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.47Å; E230-L234 PolarHBondContact O-N 3.21Å; L234-E238 VanDerWaalsContact O-CB 3.26Å; L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 PolarHBondContact O-N 3.02Å
235L39.2Very low42.5Very low84 Ų84107.3 Ų107.344%0.4458%0.58SS.*Hα-helixtrans-73.4-27.6176.2-69169.8000113.1L231 I232 S233 Y239L231-L235 HydrophobicContact CG-CD1 4.24Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 WeakPolarHBondContact O-CD1 3.26Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 2.95Å; I232-L235 PolarHBondContact O-N 2.83Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 3.39Å; L235-Y239 HydrophobicContact CD2-CD2 4.36Å; L235-Y239 HydrophobicContact CD2-CE2 4.27Å; L235-Y239 WeakPolarHBondContact O-CB 3.26Å; L235-Y239 WeakPolarHBondContact O-CD2 3.38Å; L235-Y239 PolarHBondContact O-N 3.14Å
236T46.2Very low42.4Very low59 Ų59106.7 Ų106.736%0.36259%0.586SS.*Hα-helixtrans-81.4-38.7179.2-52.40000111I232 S233 S240I232-T236 VanDerWaalsContact O-CB 3.26Å; I232-T236 WeakPolarHBondContact O-CB 3.43Å; I232-T236 PolarHBondContact O-N 3.4Å; I232-T236 PolarHBondContact O-OG1 2.94Å; S233-T236 PolarHBondContact O-N 3.45Å; S233-T236 VanDerWaalsContact O-N 3.16Å; T236-S240 PolarHBondContact O-N 2.85Å
237E49.6Very low42Very low159 Ų159112.3 Ų112.374%0.74360%0.601SS**Hα-helixtrans-72.8-32.6179.7-161.5171.3-158.500112.1S233S233-E237 VanDerWaalsContact O-CB 3.23Å; S233-E237 WeakPolarHBondContact O-CB 3.48Å; S233-E237 PolarHBondContact O-N 2.94Å
238E40Very low41.4Very low127 Ų127115.2 Ų115.259%0.59362%0.615SS**Hα-helixtrans-88.5-19.9-178.7-157.1-178.6-150.100113.6L234L234-E238 VanDerWaalsContact O-CB 3.26Å; L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 PolarHBondContact O-N 3.02Å
239Y41.4Very low40.7Very low94 Ų94113.7 Ų113.737%0.36962%0.617SS.*Hα-helixtrans-129.73.1-169.1-61.5-79000117.8L235 I241L235-Y239 HydrophobicContact CD2-CD2 4.36Å; L235-Y239 HydrophobicContact CD2-CE2 4.27Å; L235-Y239 WeakPolarHBondContact O-CB 3.26Å; L235-Y239 WeakPolarHBondContact O-CD2 3.38Å; L235-Y239 PolarHBondContact O-N 3.14Å; Y239-I241 HydrophobicContact CG-CD1 4.5Å; Y239-I241 WeakPolarHBondContact O-CG1 3.37Å; Y239-I241 PolarHBondContact O-N 3.41Å
240S41.5Very low40Very low115 Ų115113.3 Ų113.380%0.80462%0.623SS**  trans4935.9177.9-57.70000113.9T236T236-S240 PolarHBondContact O-N 2.85Å
241I37.8Very low39.3Very low99 Ų99113 Ų11351%0.50863%0.632SS.*  trans-86.1124.8-176.5-57.2174.3000108.7Y239 V243Y239-I241 HydrophobicContact CG-CD1 4.5Å; Y239-I241 WeakPolarHBondContact O-CG1 3.37Å; Y239-I241 PolarHBondContact O-N 3.41Å; I241-V243 PolarHBondContact O-N 3.44Å
242P37Very low38.7Very low110 Ų110113.9 Ų113.971%0.71465%0.646SS**  trans-68.4115.4171.927-30.9000109.5V244P242-V244 PolarHBondContact O-N 2.93Å; P242-V244 VanDerWaalsContact O-N 3.16Å
243V40.5Very low37.8Very low98 Ų98115.7 Ų115.759%0.59466%0.664SS**  trans-74.2101.8171.1-178.80000107.8I241I241-V243 PolarHBondContact O-N 3.44Å
244V36.9Very low37.1Very low115 Ų115121.3 Ų121.370%0.69769%0.685SS**  trans-81.4111.9164.7178.70000107P242 T246P242-V244 PolarHBondContact O-N 2.93Å; P242-V244 VanDerWaalsContact O-N 3.16Å; V244-T246 PolarHBondContact O-N 3.09Å
245S33.6Very low36.5Very low110 Ų110122.7 Ų122.777%0.76969%0.693SS**  trans-68.993.6172.3-58.90000109.4E247S245-E247 PolarHBondContact O-N 3.34Å
246T34.3Very low36.3Very low110 Ų110124.7 Ų124.768%0.67571%0.714SS**  trans-89.9101.8169.7-29.20000108.3V244 I248V244-T246 PolarHBondContact O-N 3.09Å; T246-I248 PolarHBondContact O-N 3.39Å; T246-I248 VanDerWaalsContact O-N 3.16Å
247E30.4Very low35.8Very low189 Ų189129.8 Ų129.888%0.88374%0.738SS**  trans-62.7109.7165.4-67-177.3172.100108.4S245S245-E247 PolarHBondContact O-N 3.34Å
248I34Very low35.3Very low144 Ų144129.4 Ų129.474%0.73874%0.741SS**PPolyproline II helixtrans-99.8119.9170.5-60.1176.2000107.2T246T246-I248 PolarHBondContact O-N 3.39Å; T246-I248 VanDerWaalsContact O-N 3.16Å
249P30.3Very low35.2Very low114 Ų114129.1 Ų129.174%0.7475%0.748SS**PPolyproline II helixtrans-72.1131.5-178.826-28.2000111.2
250L33.5Very low35.1Very low163 Ų163130.1 Ų130.185%0.85377%0.768SS**PPolyproline II helixtrans-67.7134.5172.4-83.3152.9000110.8C252L250-C252 PolarHBondContact O-N 2.89Å
251P35.1Very low35.1Very low124 Ų124129.1 Ų129.181%0.80577%0.768SS**PPolyproline II helixtrans-75.5118.8169-5.322000110.1
252C31Very low35.5Very low127 Ų127130.9 Ų130.986%0.85878%0.783SS**PPolyproline II helixtrans-64.5140.8169.9-730000111.8L250L250-C252 PolarHBondContact O-N 2.89Å
253C27.8Very low35.9Very low116 Ų116130.7 Ų130.778%0.78478%0.781SS**PPolyproline II helixtrans-57137.5173.2-49.70000111.8
254M36.2Very low36.2Very low182 Ų182130.9 Ų130.990%0.89779%0.787SS**  trans-138.4123.2156.5-88.4-68.213600109.4
255D30.5Very low36.4Very low137 Ų137133 Ų13373%0.73380%0.795SS**  trans-60.1153-179.7-64.9-62.2000113.7
256S35.8Very low36.7Very low126 Ų126132.4 Ų132.488%0.88179%0.788SS**  trans-158.395.1146.2-78.30000110
257L35.6Very low37.2Very low166 Ų166136.4 Ų136.487%0.86980%0.796SS**  trans-70.3126.7165.6-76.1163.2000110.4
258L38.1Very low37.8Very low152 Ų152133 Ų13380%0.79678%0.784SS**  trans-61.9142.7145.7-67157.4000106.6
259T38.9Very low38.2Very low121 Ų121135.9 Ų135.974%0.74279%0.786SS**  -178.7139.351.6-150000109.9
260S38.1Very low38.9Very low114 Ų114135.1 Ų135.180%0.79778%0.783SS**  trans49.5135.8143.177.90000124.5
261A41.5Very low39.4Very low95 Ų95135.4 Ų135.479%0.78579%0.785SS**  trans11373.4145.200000119
262V47.2Very low39.6Very low136 Ų136133 Ų13382%0.82478%0.783SS**  -1.7150.7126.2-177.80000117.3
263P45.1Very low40Very low106 Ų106138.6 Ų138.669%0.68879%0.786SS**  cis-140.7-175-39.939.8-19.6000113.1
264S45.5Very low40.8Very low101 Ų101137 Ų13771%0.70678%0.782SS**  trans134.6122.7137.2-47.20000115.1
265D42.4Very low41Very low161 Ų161137.3 Ų137.386%0.86178%0.781SS**  trans71.2130.2152.9-69.7-25.1000124
266P39.6Very low41.3Very low97 Ų97135.9 Ų135.963%0.6378%0.781SS**  trans-107.6169.3171.536.6-23.8000114.2
267F44Very low41.5Very low193 Ų193136.4 Ų136.485%0.84678%0.779SS**  trans78.8139.5175.8-63.2-86.9000114.7
268D43.5Very low41.4Very low117 Ų117135.8 Ų135.863%0.62678%0.777SS**  cis-164.5160.823.2-156.50.8000110.3
269R43Very low41.4Very low206 Ų206133.4 Ų133.478%0.77777%0.773SS**  trans67.7110.9144.7-91.1167.5-167.1-173.21.2124.6
270S43.6Very low41.2Very low98 Ų98135.9 Ų135.969%0.68578%0.778SS**  80.8126.9115.364.40000122.6
271D44.7Very low40.9Very low168 Ų168134.3 Ų134.390%0.89877%0.772SS**  trans78.9122.3143-74.5-19.7000121.1
272G39.4Very low40.6Very low74 Ų74137.1 Ų137.176%0.76377%0.773SS**  trans154.571.6150.100000119
273R40.6Very low39.9Very low244 Ų244138.6 Ų138.692%0.92178%0.775SS**  trans66.7125.9133.4-121.6-169.3-178.4-177.7-0.7122
274A43.2Very low39.3Very low84 Ų84142.5 Ų142.569%0.69478%0.782SS**  trans70.2138.5137.100000117.6
275E41.1Very low38.8Very low188 Ų188144.9 Ų144.988%0.87978%0.782SS**  cis-151160.419.3-69.4-178.6147.300111.1
276S35.9Very low38.5Very low106 Ų106145.2 Ų145.274%0.74178%0.775SS**  trans-58.7156.5177.260.80000115.8
277V39.9Very low38.4Very low137 Ų137146.3 Ų146.383%0.8378%0.781SS**  -171.2114.4104.4179.20000108.6
278D34.1Very low37.9Very low153 Ų153144.3 Ų144.382%0.81878%0.778SS**  trans-95.3147158.8-90.7-40.7000109.3
279S38.7Very low37.8Very low102 Ų102147.1 Ų147.171%0.71379%0.792SS**  trans172.4111.6143.7-78.70000109.9
280M34.4Very low37.6Very low173 Ų173145.3 Ų145.385%0.85279%0.792SS**  71.5106.387.4-86.9-160.8-78.100116.3
281A32.4Very low37.7Very low81 Ų81145.4 Ų145.467%0.66979%0.791SS**  55.8125.9113.500000122.1
282L33.6Very low37.7Very low155 Ų155147.6 Ų147.681%0.81279%0.792SS**  trans69.5125.9140-60.1164.4000119.9
283L34Very low37.8Very low166 Ų166155.4 Ų155.487%0.86980%0.799SS**  161.1153.5106.2-84.5177.5000113.9
284F31Very low38Very low189 Ų189149 Ų14983%0.82979%0.789SS**  trans-72.7163.2-177.3-96.1-99.1000116.1
285Q35.6Very low38.2Very low150 Ų150152.1 Ų152.170%0.70179%0.793SS**  trans94.1122.3137.3-95.4-176.615.800123
286K37.1Very low38.5Very low168 Ų168152.2 Ų152.273%0.7379%0.79SS**  trans60.4138.2138.1-76174.7171.7175.40117.6
287T36.7Very low38.9Very low121 Ų121152.2 Ų152.274%0.74279%0.791SS**  -174.6154.554-32.90000111.7
288L33.9Very low39Very low151 Ų151151.4 Ų151.479%0.79179%0.788SS**  trans-13.7148.7165.5-80106.7000122.2
289L41.1Very low39.5Very low175 Ų175151.6 Ų151.692%0.91679%0.788SS**  -172.9120.7123.3-95154000112.1
290E39.1Very low39.6Very low168 Ų168154.8 Ų154.879%0.78579%0.792SS**  trans-93.8-168.4166.1-85.6-90.2148.400109.4
291P45.5Very low39.8Very low101 Ų101152 Ų15266%0.65679%0.79SS**  cis-132.4176.7-31.722.2-0.5000113
292K45Very low40.2Very low214 Ų214153.2 Ų153.293%0.9379%0.793SS**  trans-162114.9144.9-108.3168.6-170.8-179.60113.4
293R40.3Very low40.5Very low237 Ų237150.6 Ų150.689%0.89479%0.788SS**  trans-81.4176.2161.9-84.5-172.8-170.6175.54109.4
294P45.9Very low40.8Very low109 Ų109151.7 Ų151.771%0.70878%0.78SS**  cis-163.8173.239.346.7-22.9000122.7
295L46.4Very low41.1Very low150 Ų150151.1 Ų151.179%0.78577%0.773SS**  trans84.9137.9131.1-112.991.5000126.3
296K48.2Very low41.2Very low190 Ų190152 Ų15283%0.82678%0.777SS**  trans96.1138.9154.1-61.4179.5-175.5-1790117.7
297S43.5Very low41.3Very low107 Ų107151 Ų15175%0.74878%0.776SS**  cis179.6163.2-36.243.90000106.7
298P43.6Very low41.4Very low120 Ų120154 Ų15478%0.77978%0.775SS**  trans-108174.9-153.540.6-32.8000115.5
299L42.8Very low41.7Very low156 Ų156152.3 Ų152.382%0.81777%0.767SS**  trans-176.8110.6154.9-94.6153.9000109
300Q41.3Very low41.6Very low169 Ų169152.2 Ų152.279%0.7976%0.759SS**  72.5123.495.2-87.7-165.9-19.900118.9
301S39.3Very low41.5Very low115 Ų115148.3 Ų148.380%0.80475%0.751SS**  trans71.2152.4146.1800000117.4
302S40.3Very low41.2Very low107 Ų107151.1 Ų151.175%0.74876%0.76SS**  cis-177.8142.9-7161.90000106.6
303S39.2Very low40.9Very low100 Ų100149.5 Ų149.570%0.69976%0.761SS**  trans60.6130.2145.3-156.20000121.6
304R40.7Very low40.9Very low188 Ų188141.7 Ų141.771%0.70975%0.753SS**  138.5135.6105.9-134.4177.5-168.5-177.25.2115.5
305R37Very low40.6Very low177 Ų177145.5 Ų145.567%0.66876%0.762SS**  trans74.4113.9152.4-80.4155.9-172.6-157.30.5118.5
306Q38Very low40Very low170 Ų170144.4 Ų144.479%0.79476%0.761SS**  66120.280.7-85.2-173.5-20.500113.5
307M38.6Very low39.4Very low145 Ų145147.2 Ų147.271%0.71477%0.767SS**  166.1131.4117.1-94.8-175.4172.400114.2
308Y39.6Very low39.1Very low184 Ų184147.5 Ų147.572%0.72277%0.769SS**  trans67.6153.3136.2-72.1-47000120
309L40.2Very low38.5Very low116 Ų116149.2 Ų149.261%0.60777%0.77SS**  cis-171.71559-113.5155.6000109.3
310K38.4Very low38.3Very low173 Ų173147.2 Ų147.275%0.75277%0.767SS**  trans65.2115.8141.6-86.3169.7-172.4171.80120.3
311S38.4Very low37.9Very low87 Ų87144.8 Ų144.861%0.60876%0.763SS**  94.2124.468.870.70000113.2
312N39.2Very low38.1Very low159 Ų159149.3 Ų149.385%0.8576%0.764SS**  179.1133119.1-86.3-19.2000113.7
313L37.7Very low37.6Very low181 Ų181152.8 Ų152.895%0.94877%0.769SS**  trans-73.2158.6165.7-79.2105.5000111.7
314G39.9Very low37.8Very low72 Ų72155.3 Ų155.374%0.74277%0.772SS**  trans160.585162.900000111.9
315Q40.4Very low37.3Very low189 Ų189151.5 Ų151.588%0.88378%0.775SS**  80.397.890-15017322.200114.5
316V33Very low37.4Very low128 Ų128148.2 Ų148.278%0.77678%0.776SS**  trans7.6121.9141.9-1750000117.5
317R35.9Very low37.4Very low249 Ų249149.4 Ų149.494%0.9478%0.779SS**  trans-142.9129.7138.1-77.6-163.2175.6178.6-1.7111.5
318S36.5Very low37.2Very low113 Ų113152.1 Ų152.179%0.7979%0.787SS**  trans-76.2157.4175.636.60000113.2
319L31.4Very low37Very low156 Ų156151 Ų15182%0.81779%0.793SS**  trans-52.8170.5-179-68.1156.4000115.5
320P39.9Very low36.7Very low114 Ų114151.4 Ų151.474%0.7480%0.801SS**  -130.2143.5116.535.5-26.1000114.3
321V33.1Very low36.6Very low117 Ų117148.1 Ų148.171%0.70980%0.8SS**  trans-69.4135.9168.11720000109.2
322Y42.1Very low36.6Very low210 Ų210152.7 Ų152.782%0.82481%0.811SS**  trans-119.8114.4160.3-103.3-87.7000108.6
323E30.5Very low36.1Very low181 Ų181149 Ų14985%0.84681%0.81SS**  trans-78125164.3-79.1179.5147.400109.3
324I44.4Very low36Very low152 Ų152146.8 Ų146.878%0.77980%0.804SS**  trans-139.4107.2160.4-58.4179.7000107.1
325S29.2Very low35.7Very low108 Ų108155.2 Ų155.276%0.75582%0.816SS**  trans-81.2166.3148.9-69.60000108.1
326P39.9Very low35.2Very low108 Ų108149.7 Ų149.770%0.70181%0.809SS**  cis-147.7-168.417.535.8-11.2000115.5
327K38.1Very low35.3Very low196 Ų196152.2 Ų152.285%0.85281%0.813SS**  trans95.1118.3152.7-71.6178-179.9-178.70118.8
328F32.9Very low35.1Very low201 Ų201152 Ų15288%0.88281%0.812SS**  trans-46.8135.7168.8-81.4-107000113
329D36.1Very low35Very low161 Ų161153.4 Ų153.486%0.86181%0.809SS**  -157.4151.2123.1-99.3-27.6000111.2
330T34.4Very low34.9Very low125 Ų125151.2 Ų151.277%0.76781%0.807SS**  trans-67.1135.4-167.535.90000114.5
331S34.9Very low34.8Very low104 Ų104151.9 Ų151.973%0.72780%0.799SS**  trans160.1142.6130.754.10000113
332H39Very low35.1Very low183 Ų183148.7 Ų148.785%0.84778%0.781SS**  trans74.6103.5171.5-65.8-74.5000118.7
333G28.9Very low34.9Very low80 Ų80144.6 Ų144.683%0.82577%0.773SS**  trans-72.7130.2-178.200000114.4
334T36.4Very low35.6Very low135 Ų135140.6 Ų140.683%0.82876%0.758SS**  trans-126.1113.116241.90000108.1G336T334-G336 PolarHBondContact O-N 2.95Å
335Y32.3Very low35.6Very low250 Ų250136.8 Ų136.898%0.9874%0.739SS**  trans-60.4112.4174.6-91.9-96.8000110.2
336G29.8Very low36.1Very low72 Ų72136.7 Ų136.774%0.74273%0.729SS**  trans-156.443.1-178.700000112.4T334 R338T334-G336 PolarHBondContact O-N 2.95Å; G336-R338 PolarHBondContact O-N 3.01Å
337E36Very low36.6Very low182 Ų182137.9 Ų137.985%0.8572%0.719SS**  trans-81.7107.7175.3-74.1-172.5157.900111.1L339E337-L339 PolarHBondContact O-N 2.83Å
338R30.3Very low37.3Very low245 Ų245134 Ų13493%0.92571%0.708SS**  trans-64.9105.9161.3-100.7178.7176.91730.3108.5G336 S340G336-R338 PolarHBondContact O-N 3.01Å; R338-S340 PolarHBondContact O-N 3.16Å; R338-S340 VanDerWaalsContact O-N 3.17Å
339L34.8Very low37.9Very low141 Ų141129.1 Ų129.174%0.73869%0.689SS**  trans-73.8101.2164.2-70.2169.1000109.1E337E337-L339 PolarHBondContact O-N 2.83Å
340S30.9Very low38.7Very low110 Ų110127.9 Ų127.977%0.76967%0.672SS**PPolyproline II helixtrans-75.5120.116051.70000108.5R338 S342R338-S340 PolarHBondContact O-N 3.16Å; R338-S340 VanDerWaalsContact O-N 3.17Å; S340-S342 PolarHBondContact O-N 3.34Å
341F37.5Very low39.9Very low129 Ų129125.6 Ų125.657%0.56666%0.656SS**PPolyproline II helixtrans-62.9127.8168.5-81-84.3000109.1D345F341-D345 HydrophobicContact CD1-CB 4.07Å
342S39.2Very low41.1Very low49 Ų49124.1 Ų124.134%0.34364%0.642SS.*PPolyproline II helixtrans-67.3148.4171.3175.20000109S340 D344 D345S340-S342 PolarHBondContact O-N 3.34Å; S342-D344 PolarHBondContact O-N 3.31Å; S342-D344 VanDerWaalsContact O-N 3.09Å; S342-D344 WeakPolarHBondContact OG-CB 3.43Å; S342-D344 PolarHBondContact OG-N 3.23Å; S342-D344 VanDerWaalsContact OG-N 3.09Å; S342-D344 PolarHBondContact OG-OD2 3.18Å; S342-D345 PolarHBondContact N-OD2 3.17Å; S342-D345 WeakPolarHBondContact O-CB 3.34Å; S342-D345 PolarHBondContact O-N 2.77Å
343L38.5Very low42Very low124 Ų124120.4 Ų120.465%0.64962%0.622SS**Hα-helixtrans-53.1-25.3166.8-111.4145.2000111.8R347L343-R347 WeakPolarHBondContact O-CG 3.25Å; L343-R347 PolarHBondContact O-N 2.97Å; L343-R347 VanDerWaalsContact O-N 3.12Å
344D44.6Very low43.6Very low98 Ų98121 Ų12152%0.52461%0.606SS.*Hα-helixtrans-72.6-34.4177.6-58.9-41.2000112.7S342 I346 R347 L348S342-D344 PolarHBondContact O-N 3.31Å; S342-D344 VanDerWaalsContact O-N 3.09Å; S342-D344 WeakPolarHBondContact OG-CB 3.43Å; S342-D344 PolarHBondContact OG-N 3.23Å; S342-D344 VanDerWaalsContact OG-N 3.09Å; S342-D344 PolarHBondContact OG-OD2 3.18Å; D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.85Å; D344-R347 PolarHBondContact O-N 2.95Å; D344-R347 IonicContact OD1-NH1 3.53Å; D344-L348 WeakPolarHBondContact O-CB 3.17Å; D344-L348 PolarHBondContact O-N 3.02Å
345D44.5Very low45Very low72 Ų72119.5 Ų119.539%0.38559%0.592SS.*Hα-helixtrans-65.5-38.8176-60.7-41.3000110.7F341 S342 L348 I349F341-D345 HydrophobicContact CD1-CB 4.07Å; S342-D345 PolarHBondContact N-OD2 3.17Å; S342-D345 WeakPolarHBondContact O-CB 3.34Å; S342-D345 PolarHBondContact O-N 2.77Å; D345-L348 PolarHBondContact O-N 3.5Å; D345-I349 VanDerWaalsContact O-CG1 3.29Å; D345-I349 WeakPolarHBondContact O-CG1 3.25Å; D345-I349 PolarHBondContact O-N 2.93Å; D345-I349 VanDerWaalsContact O-N 3.12Å
346I40.2Very low46.6Very low106 Ų106111.5 Ų111.554%0.54456%0.562SS.*Hα-helixtrans-68.3-39.7176.6-61175000110.8D344 R350D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.85Å; I346-R350 PolarHBondContact O-N 3.4Å; I346-R350 VanDerWaalsContact O-N 3.08Å
347R49.2Very low48.5Very low132 Ų132113.5 Ų113.550%0.49855%0.55SS.*Hα-helixtrans-64.2-43.4175.2-75.5171.6174.6179-3.4111.5L343 D344 I349 R350 D351L343-R347 WeakPolarHBondContact O-CG 3.25Å; L343-R347 PolarHBondContact O-N 2.97Å; L343-R347 VanDerWaalsContact O-N 3.12Å; D344-R347 PolarHBondContact O-N 2.95Å; D344-R347 IonicContact OD1-NH1 3.53Å; R347-I349 PolarHBondContact O-N 2.75Å; R347-R350 WeakPolarHBondContact O-CB 3.37Å; R347-R350 PolarHBondContact O-N 2.81Å; R347-D351 WeakPolarHBondContact O-CB 3.42Å; R347-D351 PolarHBondContact O-N 2.86Å
348L53.2Low50Low116 Ų116107.9 Ų107.961%0.60753%0.531SS*.Hα-helixtrans-61.3-43178.3-170.969.2000111.9D344 D345 D351 T352D344-L348 WeakPolarHBondContact O-CB 3.17Å; D344-L348 PolarHBondContact O-N 3.02Å; D345-L348 PolarHBondContact O-N 3.5Å; L348-D351 PolarHBondContact O-N 3.39Å; L348-T352 WeakPolarHBondContact O-CB 3.41Å; L348-T352 PolarHBondContact O-N 2.85Å; L348-T352 PolarHBondContact O-OG1 3.2Å
349I46.2Very low52Low97 Ų97101.7 Ų101.750%0.49751%0.513SS..Hα-helixtrans-62.5-43.6175.6-67.3166000110.9D345 R347 Y353D345-I349 VanDerWaalsContact O-CG1 3.29Å; D345-I349 WeakPolarHBondContact O-CG1 3.25Å; D345-I349 PolarHBondContact O-N 2.93Å; D345-I349 VanDerWaalsContact O-N 3.12Å; R347-I349 PolarHBondContact O-N 2.75Å; I349-Y353 WeakPolarHBondContact O-CB 3.49Å; I349-Y353 PolarHBondContact O-N 3.47Å; I349-Y353 VanDerWaalsContact O-N 3.1Å
350R52.8Low53.4Low135 Ų135104.1 Ų104.151%0.50951%0.512SS..Hα-helixtrans-62-47177.6-176.9-16568.1-177-1.7111.7I346 R347 Y353 L354I346-R350 PolarHBondContact O-N 3.4Å; I346-R350 VanDerWaalsContact O-N 3.08Å; R347-R350 WeakPolarHBondContact O-CB 3.37Å; R347-R350 PolarHBondContact O-N 2.81Å; R350-Y353 WeakPolarHBondContact O-CB 3.48Å; R350-Y353 PolarHBondContact O-N 3.32Å; R350-L354 HydrophobicContact CG-CD1 4.31Å; R350-L354 WeakPolarHBondContact O-CG 3.46Å; R350-L354 PolarHBondContact O-N 3.33Å
351D58.6Low55.2Low77 Ų77103.6 Ų103.641%0.41250%0.5SS..Hα-helixtrans-71.1-36.9-174-63.4-9.4000110.7R347 L348 Y353 L354 L355R347-D351 WeakPolarHBondContact O-CB 3.42Å; R347-D351 PolarHBondContact O-N 2.86Å; L348-D351 PolarHBondContact O-N 3.39Å; D351-Y353 VanDerWaalsContact C-N 3.3Å; D351-Y353 PolarHBondContact O-N 3.21Å; D351-L354 PolarHBondContact O-N 2.91Å; D351-L355 PolarHBondContact O-N 2.93Å
352T61.2Low56.6Low73 Ų73100.2 Ų100.245%0.44850%0.496SS..Hα-helixtrans-62.9-36.7172-50.10000111.9L348 K356L348-T352 WeakPolarHBondContact O-CB 3.41Å; L348-T352 PolarHBondContact O-N 2.85Å; L348-T352 PolarHBondContact O-OG1 3.2Å; T352-K356 PolarHBondContact O-N 2.85Å
353Y57.3Low57.8Low106 Ų106104.4 Ų104.442%0.41651%0.508SS..Hα-helixtrans-68.8-43.6175.9179.9-100.8000112.4R123 I349 R350 D351 L355 K356 K357R123-Y353 PolarHBondContact NH1-OH 3.35Å; I349-Y353 WeakPolarHBondContact O-CB 3.49Å; I349-Y353 PolarHBondContact O-N 3.47Å; I349-Y353 VanDerWaalsContact O-N 3.1Å; R350-Y353 WeakPolarHBondContact O-CB 3.48Å; R350-Y353 PolarHBondContact O-N 3.32Å; D351-Y353 VanDerWaalsContact C-N 3.3Å; D351-Y353 PolarHBondContact O-N 3.21Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.89Å; Y353-K356 PolarHBondContact O-N 3.35Å; Y353-K357 PolarHBondContact O-N 3.44Å
354L61.9Low58.9Low93 Ų93101.2 Ų101.249%0.48750%0.5SS..Hα-helixtrans-63.4-38.4177.5-70.4175.3000111.8R350 D351 K357 S358R350-L354 HydrophobicContact CG-CD1 4.31Å; R350-L354 WeakPolarHBondContact O-CG 3.46Å; R350-L354 PolarHBondContact O-N 3.33Å; D351-L354 PolarHBondContact O-N 2.91Å; L354-K357 PolarHBondContact O-N 3.28Å; L354-S358 PolarHBondContact O-N 3.29Å; L354-S358 PolarHBondContact O-OG 3.47Å
355L66.8Low60Low103 Ų103103 Ų10354%0.53951%0.508SS..Hα-helixtrans-62.9-42.3175.1-157.984.9000112.1D351 Y353 K357 S358 Q359D351-L355 PolarHBondContact O-N 2.93Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.89Å; L355-K357 VanDerWaalsContact C-N 3.34Å; L355-K357 PolarHBondContact O-N 3.36Å; L355-S358 PolarHBondContact O-N 2.92Å; L355-S358 PolarHBondContact O-OG 3.03Å; L355-Q359 VanDerWaalsContact O-CG 3.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.37Å; L355-Q359 PolarHBondContact O-N 3.5Å
356K65.9Low61Low81 Ų81103.2 Ų103.235%0.35252%0.516SS..Hα-helixtrans-68.3-32.9175.6-76.4-173.7176.9-177.20112.5T352 Y353 R360T352-K356 PolarHBondContact O-N 2.85Å; Y353-K356 PolarHBondContact O-N 3.35Å; K356-R360 WeakPolarHBondContact O-CG 3.49Å; K356-R360 PolarHBondContact O-N 3.16Å; K356-R360 VanDerWaalsContact O-N 3.14Å
357K69.6Low61.9Low115 Ų115103.4 Ų103.450%0.552%0.518SS..Hα-helixtrans-68-43.4175-171.1178.2-179.9-178.90111.5Y353 L354 L355 R360 L361Y353-K357 PolarHBondContact O-N 3.44Å; L354-K357 PolarHBondContact O-N 3.28Å; L355-K357 VanDerWaalsContact C-N 3.34Å; L355-K357 PolarHBondContact O-N 3.36Å; K357-R360 PolarHBondContact O-N 3.18Å; K357-L361 HydrophobicContact CG-CD1 4.37Å; K357-L361 WeakPolarHBondContact O-CG 3.45Å; K357-L361 PolarHBondContact O-N 3.18Å
358S66.7Low61.9Low64 Ų64101.7 Ų101.745%0.44853%0.525SS..Hα-helixtrans-66.6-38.9177.363.50000112.1L354 L355 R360 L361 A362L354-S358 PolarHBondContact O-N 3.29Å; L354-S358 PolarHBondContact O-OG 3.47Å; L355-S358 PolarHBondContact O-N 2.92Å; L355-S358 PolarHBondContact O-OG 3.03Å; S358-R360 PolarHBondContact O-N 3.2Å; S358-L361 PolarHBondContact O-N 3.45Å; S358-A362 WeakPolarHBondContact O-CB 3.4Å; S358-A362 PolarHBondContact O-N 3.32Å
359Q72.3Confident61.4Low115 Ų11599.6 Ų99.654%0.53753%0.532SS..Hα-helixtrans-62.1-41.9174.2-75.1175.3-14.600112.7L355 A362 F363L355-Q359 VanDerWaalsContact O-CG 3.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.37Å; L355-Q359 PolarHBondContact O-N 3.5Å; Q359-A362 PolarHBondContact O-N 2.88Å; Q359-F363 WeakPolarHBondContact O-CB 3.42Å; Q359-F363 PolarHBondContact O-N 2.85Å
360R65Low61.3Low191 Ų191100.9 Ų100.972%0.72154%0.544SS*.Hα-helixtrans-65.7-38.8175.9-74178-178.7-174.4-0.1112.5K356 K357 S358 A364K356-R360 WeakPolarHBondContact O-CG 3.49Å; K356-R360 PolarHBondContact O-N 3.16Å; K356-R360 VanDerWaalsContact O-N 3.14Å; K357-R360 PolarHBondContact O-N 3.18Å; S358-R360 PolarHBondContact O-N 3.2Å; R360-A364 WeakPolarHBondContact O-CB 3.38Å; R360-A364 PolarHBondContact O-N 3.31Å
361L67.8Low60.7Low99 Ų99105.8 Ų105.852%0.51858%0.577SS.*Hα-helixtrans-68.2-40.5175.3-73.6169.2000111.9K357 S358 F363 A364 L365K357-L361 HydrophobicContact CG-CD1 4.37Å; K357-L361 WeakPolarHBondContact O-CG 3.45Å; K357-L361 PolarHBondContact O-N 3.18Å; S358-L361 PolarHBondContact O-N 3.45Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 3.24Å; L361-A364 PolarHBondContact O-N 2.96Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.45Å; L361-L365 PolarHBondContact O-N 2.89Å
362A67.2Low60.8Low58 Ų58107.2 Ų107.248%0.47959%0.586SS.*Hα-helixtrans-63-40.7175.400000111.9S358 Q359 L365 S366S358-A362 WeakPolarHBondContact O-CB 3.4Å; S358-A362 PolarHBondContact O-N 3.32Å; Q359-A362 PolarHBondContact O-N 2.88Å; A362-L365 PolarHBondContact O-N 3.27Å; A362-S366 WeakPolarHBondContact O-CB 3.27Å; A362-S366 PolarHBondContact O-N 3.25Å; A362-S366 PolarHBondContact O-OG 3.05Å
363F64.8Low60.7Low138 Ų138109 Ų10961%0.60559%0.593SS**Hα-helixtrans-70-34.2176.4-161.4-97.3000112.8Q359 L361 S366 N367Q359-F363 WeakPolarHBondContact O-CB 3.42Å; Q359-F363 PolarHBondContact O-N 2.85Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 3.24Å; F363-S366 PolarHBondContact O-OG 3.48Å; F363-S366 VanDerWaalsContact O-OG 3.11Å; F363-N367 WeakPolarHBondContact CD1-ND2 3.42Å; F363-N367 WeakPolarHBondContact CE1-ND2 3.5Å; F363-N367 WeakPolarHBondContact O-CB 3.28Å; F363-N367 PolarHBondContact O-N 2.91Å; F363-N367 PolarHBondContact O-ND2 2.83Å
364A61.6Low60.9Low56 Ų56109.2 Ų109.246%0.46360%0.603SS.*Hα-helixtrans-67.9-39.817300000111.8R360 L361 N367 C368R360-A364 WeakPolarHBondContact O-CB 3.38Å; R360-A364 PolarHBondContact O-N 3.31Å; L361-A364 PolarHBondContact O-N 2.96Å; A364-N367 PolarHBondContact O-N 3.46Å; A364-C368 PolarHBondContact O-N 2.96Å
365L67.2Low60.9Low135 Ų135110.1 Ų110.171%0.70761%0.61SS**Hα-helixtrans-71-36.4176.8-71.6168.6000112.5L361 A362 N367 C368L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.45Å; L361-L365 PolarHBondContact O-N 2.89Å; A362-L365 PolarHBondContact O-N 3.27Å; L365-N367 VanDerWaalsContact C-N 3.29Å; L365-N367 PolarHBondContact O-N 2.92Å; L365-C368 PolarHBondContact O-N 3.02Å
366S66Low60.5Low78 Ų78110.6 Ų110.655%0.54561%0.614SS.*Hα-helixtrans-69.4-27.3176.6710000113.1A362 F363A362-S366 WeakPolarHBondContact O-CB 3.27Å; A362-S366 PolarHBondContact O-N 3.25Å; A362-S366 PolarHBondContact O-OG 3.05Å; F363-S366 PolarHBondContact O-OG 3.48Å; F363-S366 VanDerWaalsContact O-OG 3.11Å
367N58Low60.2Low109 Ų109112.5 Ų112.558%0.58363%0.631SS**Hα-helixtrans-89.2-8.3177.9-70.5-19.7000113.4F363 A364 L365 G369F363-N367 WeakPolarHBondContact CD1-ND2 3.42Å; F363-N367 WeakPolarHBondContact CE1-ND2 3.5Å; F363-N367 WeakPolarHBondContact O-CB 3.28Å; F363-N367 PolarHBondContact O-N 2.91Å; F363-N367 PolarHBondContact O-ND2 2.83Å; A364-N367 PolarHBondContact O-N 3.46Å; L365-N367 VanDerWaalsContact C-N 3.29Å; L365-N367 PolarHBondContact O-N 2.92Å; N367-G369 PolarHBondContact O-N 3.39Å
368C50.7Low59.5Low97 Ų97112.4 Ų112.466%0.65564%0.641SS**  trans-90.240.8167.8-80.20000111.9A364 L365 V370A364-C368 PolarHBondContact O-N 2.96Å; L365-C368 PolarHBondContact O-N 3.02Å; C368-V370 VanDerWaalsContact C-N 3.28Å; C368-V370 PolarHBondContact O-N 2.95Å
369G41Very low58.9Low72 Ų72116.1 Ų116.174%0.74266%0.656SS**  trans-70.484.4165.100000110.4N367N367-G369 PolarHBondContact O-N 3.39Å
370V44.9Very low57.8Low124 Ų124116.2 Ų116.275%0.75267%0.666SS**  trans-107.5110.5164.8178.40000107C368C368-V370 VanDerWaalsContact C-N 3.28Å; C368-V370 PolarHBondContact O-N 2.95Å
371I39.5Very low57.2Low237 Ų237109.4 Ų109.4100%1.21566%0.66SS**  trans39.30149.4-53177.3000117.6

Retrieved 371 of 371 residues in 117.8 ms (Link to these results)

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