A0A087Y3M2_POEFO Loading...

Ankyrin repeat and MYND domain-containing protein 2

May be involved in the trafficking of signaling proteins to the cilia.

AlphaFold DB , UniProt , Accession A0A087Y3M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 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
1M43.3Very low75.5Confident242 Ų24290.8 Ų90.8100%1.19251%0.513SS*.  0125.20-69.6-176.4-178.400107T3M1-T3 PolarHBondContact O-N 3.37Å
2S48.4Very low77Confident98 Ų9885.8 Ų85.869%0.68549%0.486SS*.PPolyproline II helixtrans-62.5127.1179.6-1760000109.1A4S2-A4 PolarHBondContact O-N 3.12Å
3T58.5Low78.3Confident111 Ų11179.3 Ų79.368%0.68145%0.449SS*.PPolyproline II helixtrans-58.2126.8174.147.60000108.9M1 K5M1-T3 PolarHBondContact O-N 3.37Å; T3-K5 PolarHBondContact O-N 3.27Å
4A67.3Low79.4Confident20 Ų2081.8 Ų81.817%0.16545%0.452CS..PPolyproline II helixtrans-54.5128.117800000109.7S2 L42S2-A4 PolarHBondContact O-N 3.12Å; A4-L42 HydrophobicContact CB-CD1 4Å; A4-L42 HydrophobicContact CB-CG 4.11Å; A4-L42 WeakPolarHBondContact O-CD1 3.49Å
5K79.9Confident80.4Confident139 Ų13981.3 Ų81.360%0.60445%0.446SS*.PPolyproline II helixtrans-95144.2174.9-68.6-179.6-180178.60108.7T3 G7 D8T3-K5 PolarHBondContact O-N 3.27Å; K5-G7 PolarHBondContact O-N 3.15Å; K5-D8 HydrophobicContact CB-CB 3.92Å; K5-D8 WeakPolarHBondContact O-CB 2.9Å; K5-D8 PolarHBondContact O-N 3.26Å
6K87.1Confident81.3Confident104 Ų10476.3 Ų76.345%0.45242%0.418SS..THydrogen-bonded Turntrans-56.2133.3176.7-63.7-171.4177.7-162.20110.7D8 Q76K6-D8 PolarHBondContact O-N 2.69Å; K6-D8 VanDerWaalsContact O-N 3.12Å; K6-Q76 WeakPolarHBondContact CE-O 3.23Å; K6-Q76 PolarHBondContact NZ-O 3.49Å
7G83.1Confident82.1Confident34 Ų3472.8 Ų72.835%0.35140%0.398SS..THydrogen-bonded Turntrans70.2-2.9178.600000115.8K5 L9 L42 D43K5-G7 PolarHBondContact O-N 3.15Å; G7-L9 PolarHBondContact O-N 3.15Å; G7-L42 PolarHBondContact N-O 2.87Å; G7-D43 PolarHBondContact N-O 3.18Å; G7-D43 VanDerWaalsContact N-O 3.08Å
8D88.8Confident82.8Confident85 Ų8576.4 Ų76.446%0.45541%0.411SS..  trans-81.668177.1-177.934.7000110.1K5 K6 R38K5-D8 HydrophobicContact CB-CB 3.92Å; K5-D8 WeakPolarHBondContact O-CB 2.9Å; K5-D8 PolarHBondContact O-N 3.26Å; K6-D8 PolarHBondContact O-N 2.69Å; K6-D8 VanDerWaalsContact O-N 3.12Å; D8-R38 PolarHBondContact O-NH2 3.37Å; D8-R38 IonicContact OD2-NH1 3.42Å
9L90.9Very high83.4Confident28 Ų2873.2 Ų73.215%0.14740%0.395CS..  trans-104.7127.9-177.5-63.6-179.8000111.7G7 E13 K14 F17 C41 L42 D43G7-L9 PolarHBondContact O-N 3.15Å; L9-E13 HydrophobicContact CB-CB 4.32Å; L9-E13 HydrophobicContact CD2-CB 4Å; L9-K14 HydrophobicContact CB-CG 3.8Å; L9-K14 HydrophobicContact CD1-CG 4.15Å; L9-F17 HydrophobicContact CD1-CD2 3.88Å; L9-F17 HydrophobicContact CD1-CE2 3.63Å; L9-F17 HydrophobicContact CD2-CE2 3.83Å; L9-F17 HydrophobicContact CG-CE2 4.4Å; L9-C41 HydrophobicContact CD2-CB 3.62Å; L9-L42 VanDerWaalsContact CD2-O 3.29Å; L9-L42 WeakPolarHBondContact CD2-O 3.31Å; L9-L42 WeakPolarHBondContact CG-O 3.34Å; L9-D43 HydrophobicContact CD1-CB 4.37Å
10S91.9Very high84Confident31 Ų3169.6 Ų69.622%0.21738%0.375CS..  trans-64.5159.7165.265.60000111.4T12 E13 K14S10-T12 PolarHBondContact O-N 2.69Å; S10-E13 PolarHBondContact N-OE2 3.43Å; S10-E13 PolarHBondContact O-N 3.2Å; S10-E13 VanDerWaalsContact O-N 3.11Å; S10-E13 WeakPolarHBondContact OG-CB 3.4Å; S10-E13 WeakPolarHBondContact OG-CG 3.22Å; S10-E13 PolarHBondContact OG-N 3.14Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; S10-K14 WeakPolarHBondContact O-CG 3.25Å; S10-K14 PolarHBondContact O-N 2.97Å
11P91.7Very high84.3Confident107 Ų10768.3 Ų68.370%0.69537%0.372SS*.Hα-helixtrans-54.4-40.3174.4-25.935.3000112.9K14 E15P11-K14 WeakPolarHBondContact O-CB 3.2Å; P11-K14 PolarHBondContact O-N 3.02Å; P11-E15 PolarHBondContact O-N 3.29Å
12T92.6Very high86.6Confident31 Ų3160.5 Ų60.519%0.1935%0.346CS..Hα-helixtrans-64.4-38.2177.2-35.50000112.1S10 E15 L16 L31 D36 V37S10-T12 PolarHBondContact O-N 2.69Å; T12-E15 WeakPolarHBondContact O-CB 3.29Å; T12-E15 PolarHBondContact O-N 3.33Å; T12-L16 PolarHBondContact O-N 3.09Å; T12-L31 HydrophobicContact CG2-CD2 3.72Å; T12-D36 PolarHBondContact OG1-OD2 3.33Å; T12-V37 HydrophobicContact CG2-CG2 3.41Å; T12-V37 VanDerWaalsContact CG2-CG2 3.41Å
13E94.3Very high88.7Confident1 Ų157 Ų571%0.00533%0.325CS..Hα-helixtrans-71.2-35.3175.1-70.9165.414600111.9L9 S10 E15 L16 F17 V37 R38 C41L9-E13 HydrophobicContact CB-CB 4.32Å; L9-E13 HydrophobicContact CD2-CB 4Å; S10-E13 PolarHBondContact N-OE2 3.43Å; S10-E13 PolarHBondContact O-N 3.2Å; S10-E13 VanDerWaalsContact O-N 3.11Å; S10-E13 WeakPolarHBondContact OG-CB 3.4Å; S10-E13 WeakPolarHBondContact OG-CG 3.22Å; S10-E13 PolarHBondContact OG-N 3.14Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-L16 WeakPolarHBondContact O-CB 3.41Å; E13-L16 PolarHBondContact O-N 3.07Å; E13-F17 WeakPolarHBondContact O-CD2 3.42Å; E13-F17 PolarHBondContact O-N 3.16Å; E13-V37 HydrophobicContact CG-CG1 4.35Å; E13-R38 WeakPolarHBondContact OE1-CB 3.41Å; E13-R38 IonicContact OE1-CZ 3.86Å; E13-R38 PolarHBondContact OE1-N 3.43Å; E13-R38 VanDerWaalsContact OE1-N 3.11Å; E13-R38 IonicContact OE1-NE 2.64Å; E13-R38 PolarHBondContact OE1-NE 3.01Å; E13-R38 IonicContact OE1-NH2 3.86Å; E13-R38 PolarHBondContact OE1-NH2 3.48Å; E13-R38 VanDerWaalsContact OE1-NH2 3.14Å; E13-R38 IonicContact OE2-CZ 2.79Å; E13-R38 IonicContact OE2-NE 2.66Å; E13-R38 IonicContact OE2-NH2 3.62Å; E13-R38 PolarHBondContact OE2-NH2 2.96Å; E13-C41 HydrophobicContact CB-CB 4.45Å; E13-C41 HydrophobicContact CG-CB 4.13Å; E13-C41 WeakPolarHBondContact OE1-CB 3.47Å
14K93.6Very high90.4Very high114 Ų11455.1 Ų55.150%0.49631%0.311SS..Hα-helixtrans-63.3-41.7171.9-67.5-179.6-176.8-175.20111.3L9 S10 P11 L16 F17 Q18L9-K14 HydrophobicContact CB-CG 3.8Å; L9-K14 HydrophobicContact CD1-CG 4.15Å; S10-K14 WeakPolarHBondContact O-CG 3.25Å; S10-K14 PolarHBondContact O-N 2.97Å; P11-K14 WeakPolarHBondContact O-CB 3.2Å; P11-K14 PolarHBondContact O-N 3.02Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-F17 PolarHBondContact O-N 2.97Å; K14-Q18 PolarHBondContact O-N 3.35Å
15E94.6Very high91.7Very high75 Ų7556 Ų5635%0.3531%0.314SS..Hα-helixtrans-60.1-42.6173-171.9-178.6-17700111.2P11 T12 E13 F17 Q18 V19 L31P11-E15 PolarHBondContact O-N 3.29Å; T12-E15 WeakPolarHBondContact O-CB 3.29Å; T12-E15 PolarHBondContact O-N 3.33Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.45Å; E15-Q18 WeakPolarHBondContact O-CB 3.09Å; E15-Q18 PolarHBondContact O-N 3.02Å; E15-V19 HydrophobicContact CG-CG2 4.3Å; E15-V19 WeakPolarHBondContact O-CG2 3.31Å; E15-V19 PolarHBondContact O-N 3.33Å; E15-L31 HydrophobicContact CB-CD1 4.41Å; E15-L31 HydrophobicContact CG-CD1 4.02Å
16L95.2Very high92.4Very high0 Ų056.4 Ų56.40%032%0.318CS..Hα-helixtrans-55.4-44.9176.2178.466.2000112.2T12 E13 K14 Q18 V19 I20 A28 L31 L32 V37 P49T12-L16 PolarHBondContact O-N 3.09Å; E13-L16 WeakPolarHBondContact O-CB 3.41Å; E13-L16 PolarHBondContact O-N 3.07Å; K14-L16 VanDerWaalsContact C-N 3.32Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.37Å; L16-V19 PolarHBondContact O-N 3.23Å; L16-I20 HydrophobicContact CD1-CD1 4.05Å; L16-I20 HydrophobicContact CD1-CG1 4.31Å; L16-I20 HydrophobicContact CD2-CD1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.82Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.5Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.4Å; L16-A28 HydrophobicContact CD1-CB 4.08Å; L16-L31 HydrophobicContact CB-CD1 4.25Å; L16-L31 HydrophobicContact CD1-CB 4.3Å; L16-L31 HydrophobicContact CD1-CD1 4.4Å; L16-L32 HydrophobicContact CD1-CD2 4.41Å; L16-L32 HydrophobicContact CD1-CG 4.2Å; L16-L32 HydrophobicContact CD2-CD2 3.92Å; L16-V37 HydrophobicContact CD2-CG1 3.79Å; L16-P49 HydrophobicContact CD2-CG 4.11Å
17F94.5Very high92.8Very high18 Ų1853.8 Ų53.88%0.07931%0.307CS..Hα-helixtrans-63.6-36.1176.8-77.1-76000113.1L9 E13 K14 E15 S21 C41 D43 P49 H52L9-F17 HydrophobicContact CD1-CD2 3.88Å; L9-F17 HydrophobicContact CD1-CE2 3.63Å; L9-F17 HydrophobicContact CD2-CE2 3.83Å; L9-F17 HydrophobicContact CG-CE2 4.4Å; E13-F17 WeakPolarHBondContact O-CD2 3.42Å; E13-F17 PolarHBondContact O-N 3.16Å; K14-F17 PolarHBondContact O-N 2.97Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.45Å; F17-S21 WeakPolarHBondContact O-CB 3.49Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 2.82Å; F17-C41 VanDerWaalsContact CE2-SG 3.55Å; F17-D43 HydrophobicContact CE1-CB 4.49Å; F17-D43 HydrophobicContact CE2-CB 4.48Å; F17-D43 HydrophobicContact CZ-CB 4.2Å; F17-P49 HydrophobicContact CE1-CG 4.05Å; F17-P49 HydrophobicContact CZ-CG 3.9Å; F17-H52 AromaticContact CD1-CD2 3.58Å; F17-H52 AromaticContact CD1-CG 3.94Å; F17-H52 AromaticContact CD1-NE2 3.73Å; F17-H52 AromaticContact CE1-CD2 3.41Å; F17-H52 VanDerWaalsContact CE1-CD2 3.41Å; F17-H52 WeakPolarHBondContact CE1-CD2 3.32Å; F17-H52 AromaticContact CE1-NE2 3.72Å
18Q94Very high93.4Very high137 Ų13752.1 Ų52.164%0.6429%0.291SS*.Hα-helixtrans-66.5-44.2175.1-65.3176.6600111.1K14 E15 L16 S21 A22K14-Q18 PolarHBondContact O-N 3.35Å; E15-Q18 WeakPolarHBondContact O-CB 3.09Å; E15-Q18 PolarHBondContact O-N 3.02Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.37Å; Q18-S21 VanDerWaalsContact O-CB 3.31Å; Q18-S21 WeakPolarHBondContact O-CB 3.49Å; Q18-S21 PolarHBondContact O-N 2.93Å; Q18-A22 PolarHBondContact O-N 2.95Å
19V95.4Very high93.8Very high16 Ų1650.8 Ų50.810%0.09729%0.288CS..Hα-helixtrans-64.8-40.2178.4171.20000111.7E15 L16 S21 A22 G23 N24 E27 A28 L31E15-V19 HydrophobicContact CG-CG2 4.3Å; E15-V19 WeakPolarHBondContact O-CG2 3.31Å; E15-V19 PolarHBondContact O-N 3.33Å; L16-V19 PolarHBondContact O-N 3.23Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.63Å; V19-A22 PolarHBondContact O-N 3.02Å; V19-G23 PolarHBondContact O-N 3.16Å; V19-N24 HydrophobicContact CG1-CB 4.09Å; V19-N24 WeakPolarHBondContact CG1-O 3.43Å; V19-N24 PolarHBondContact O-N 3.04Å; V19-N24 VanDerWaalsContact O-N 3.17Å; V19-E27 HydrophobicContact CG1-CB 3.8Å; V19-E27 HydrophobicContact CG1-CG 4.04Å; V19-E27 HydrophobicContact CG2-CB 4.43Å; V19-E27 HydrophobicContact CG2-CG 3.81Å; V19-A28 HydrophobicContact CG1-CB 3.85Å; V19-L31 HydrophobicContact CB-CD1 4.39Å; V19-L31 HydrophobicContact CG2-CD1 3.98Å
20I94.2Very high94Very high0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-61.1-44172.6-71.9166000110.9L16 A22 G23 P49 H52 A53 M61 L65L16-I20 HydrophobicContact CD1-CD1 4.05Å; L16-I20 HydrophobicContact CD1-CG1 4.31Å; L16-I20 HydrophobicContact CD2-CD1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.82Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.5Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.4Å; I20-A22 VanDerWaalsContact C-N 3.32Å; I20-A22 PolarHBondContact O-N 3.37Å; I20-G23 PolarHBondContact O-N 3.14Å; I20-G23 VanDerWaalsContact O-N 3.1Å; I20-P49 HydrophobicContact CD1-CB 3.52Å; I20-P49 HydrophobicContact CD1-CG 4.42Å; I20-H52 HydrophobicContact CG2-CB 4.06Å; I20-A53 HydrophobicContact CG2-CB 4.06Å; I20-M61 HydrophobicContact CB-CG 4.39Å; I20-M61 HydrophobicContact CG1-CE 4.33Å; I20-M61 HydrophobicContact CG1-CG 3.91Å; I20-M61 HydrophobicContact CG1-SD 3.87Å; I20-M61 HydrophobicContact CG2-CG 4.11Å; I20-L65 HydrophobicContact CD1-CD1 4.2Å; I20-L65 HydrophobicContact CD1-CD2 4.46Å
21S91Very high94.1Very high44 Ų4454 Ų5431%0.30829%0.294SS..Hα-helixtrans-61.2-40.9177.3-67.50000112.5F17 Q18 V19 G23 K56F17-S21 WeakPolarHBondContact O-CB 3.49Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 2.82Å; Q18-S21 VanDerWaalsContact O-CB 3.31Å; Q18-S21 WeakPolarHBondContact O-CB 3.49Å; Q18-S21 PolarHBondContact O-N 2.93Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.63Å; S21-G23 VanDerWaalsContact C-N 3.31Å; S21-K56 PolarHBondContact OG-NZ 3.4Å
22A92.1Very high94.2Very high78 Ų7849.7 Ų49.765%0.64526%0.264SS*.Hα-helixtrans-73-21.9175.300000113.1Q18 V19 I20Q18-A22 PolarHBondContact O-N 2.95Å; V19-A22 PolarHBondContact O-N 3.02Å; I20-A22 VanDerWaalsContact C-N 3.32Å; I20-A22 PolarHBondContact O-N 3.37Å
23G91.3Very high94.1Very high25 Ų2551.1 Ų51.126%0.25829%0.285SS..THydrogen-bonded Turntrans7921.6-177.700000114.2V19 I20 S21 V25V19-G23 PolarHBondContact O-N 3.16Å; I20-G23 PolarHBondContact O-N 3.14Å; I20-G23 VanDerWaalsContact O-N 3.1Å; S21-G23 VanDerWaalsContact C-N 3.31Å; G23-V25 PolarHBondContact O-N 3.05Å
24N95Very high94Very high71 Ų7153 Ų5338%0.3830%0.297SS..  trans-83.793178.5-179-12.9000110.4V19 Q26 E27 A28V19-N24 HydrophobicContact CG1-CB 4.09Å; V19-N24 WeakPolarHBondContact CG1-O 3.43Å; V19-N24 PolarHBondContact O-N 3.04Å; V19-N24 VanDerWaalsContact O-N 3.17Å; N24-Q26 PolarHBondContact O-N 2.86Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 PolarHBondContact OD1-OE1 2.99Å; N24-E27 HydrophobicContact CB-CB 4.35Å; N24-E27 WeakPolarHBondContact OD1-CB 3.37Å; N24-E27 PolarHBondContact OD1-N 3.48Å; N24-A28 PolarHBondContact O-N 3.35Å; N24-A28 VanDerWaalsContact O-N 3.1Å
25V95.1Very high93.5Very high38 Ų3858 Ų5823%0.2332%0.319CS..Hα-helixtrans-66-36.4-175.2-1780000112.2G23 A28 S29 D60 M61 L64G23-V25 PolarHBondContact O-N 3.05Å; V25-A28 PolarHBondContact O-N 3.36Å; V25-S29 WeakPolarHBondContact O-CB 3.48Å; V25-S29 PolarHBondContact O-N 3.49Å; V25-D60 HydrophobicContact CG2-CB 3.87Å; V25-M61 HydrophobicContact CB-CE 4.39Å; V25-M61 HydrophobicContact CG2-CE 4.03Å; V25-L64 HydrophobicContact CG1-CD2 4Å
26Q95.1Very high93.1Very high148 Ų14858.5 Ų58.569%0.69232%0.324SS*.Hα-helixtrans-64.6-45.9-179.1-67.573.915.800110.7N24 S29 R30N24-Q26 PolarHBondContact O-N 2.86Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 PolarHBondContact OD1-OE1 2.99Å; Q26-S29 WeakPolarHBondContact O-CB 3.39Å; Q26-S29 PolarHBondContact O-N 3.23Å; Q26-R30 PolarHBondContact O-N 2.9Å
27E95Very high92.9Very high48 Ų4859.2 Ų59.222%0.22433%0.329CS..Hα-helixtrans-70.5-39.1179.8-172.857.6-159.200111.8V19 N24 S29 R30 L31V19-E27 HydrophobicContact CG1-CB 3.8Å; V19-E27 HydrophobicContact CG1-CG 4.04Å; V19-E27 HydrophobicContact CG2-CB 4.43Å; V19-E27 HydrophobicContact CG2-CG 3.81Å; N24-E27 HydrophobicContact CB-CB 4.35Å; N24-E27 WeakPolarHBondContact OD1-CB 3.37Å; N24-E27 PolarHBondContact OD1-N 3.48Å; E27-S29 VanDerWaalsContact C-N 3.26Å; E27-S29 PolarHBondContact O-N 3.46Å; E27-R30 VanDerWaalsContact CD-NE 3.34Å; E27-R30 WeakPolarHBondContact O-CB 3.35Å; E27-R30 PolarHBondContact O-N 3.39Å; E27-R30 VanDerWaalsContact O-N 3.11Å; E27-R30 IonicContact OE1-CZ 3.79Å; E27-R30 IonicContact OE1-NE 3.79Å; E27-R30 PolarHBondContact OE1-NE 3.08Å; E27-R30 IonicContact OE1-NH2 2.63Å; E27-R30 PolarHBondContact OE1-NH2 2.95Å; E27-R30 IonicContact OE2-NE 3.19Å; E27-R30 PolarHBondContact OE2-NE 2.96Å; E27-L31 HydrophobicContact CG-CD1 4.46Å; E27-L31 WeakPolarHBondContact O-CG 3.32Å; E27-L31 PolarHBondContact O-N 2.97Å
28A95.6Very high92.9Very high0 Ų062.2 Ų62.20%034%0.34CS..Hα-helixtrans-60.2-39.9173.600000111.3L16 V19 N24 V25 R30 L31 L32 M61 L64L16-A28 HydrophobicContact CD1-CB 4.08Å; V19-A28 HydrophobicContact CG1-CB 3.85Å; N24-A28 PolarHBondContact O-N 3.35Å; N24-A28 VanDerWaalsContact O-N 3.1Å; V25-A28 PolarHBondContact O-N 3.36Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 3.09Å; A28-L31 PolarHBondContact O-N 3.17Å; A28-L32 WeakPolarHBondContact O-CB 3.42Å; A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.29Å; A28-M61 HydrophobicContact CB-CE 3.54Å; A28-M61 HydrophobicContact CB-SD 3.51Å; A28-M61 VanDerWaalsContact CB-SD 3.51Å; A28-L64 HydrophobicContact CB-CD2 3.87Å
29S95.9Very high92.9Very high56 Ų5656.8 Ų56.839%0.39232%0.316SS..Hα-helixtrans-63.2-39.1176-174.90000111.8V25 Q26 E27 G33V25-S29 WeakPolarHBondContact O-CB 3.48Å; V25-S29 PolarHBondContact O-N 3.49Å; Q26-S29 WeakPolarHBondContact O-CB 3.39Å; Q26-S29 PolarHBondContact O-N 3.23Å; E27-S29 VanDerWaalsContact C-N 3.26Å; E27-S29 PolarHBondContact O-N 3.46Å; S29-G33 PolarHBondContact O-N 2.83Å
30R95.4Very high92.9Very high127 Ų12758.6 Ų58.648%0.47933%0.325SS..Hα-helixtrans-62.9-48.9174.7-169.7-167.570.175-4.3111Q26 E27 A28 G33Q26-R30 PolarHBondContact O-N 2.9Å; E27-R30 VanDerWaalsContact CD-NE 3.34Å; E27-R30 WeakPolarHBondContact O-CB 3.35Å; E27-R30 PolarHBondContact O-N 3.39Å; E27-R30 VanDerWaalsContact O-N 3.11Å; E27-R30 IonicContact OE1-CZ 3.79Å; E27-R30 IonicContact OE1-NE 3.79Å; E27-R30 PolarHBondContact OE1-NE 3.08Å; E27-R30 IonicContact OE1-NH2 2.63Å; E27-R30 PolarHBondContact OE1-NH2 2.95Å; E27-R30 IonicContact OE2-NE 3.19Å; E27-R30 PolarHBondContact OE2-NE 2.96Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 3.09Å; R30-G33 PolarHBondContact O-N 3.21Å
31L94.6Very high92.9Very high1 Ų158.6 Ų58.61%0.00533%0.325CS..Hα-helixtrans-63.9-43.3-179.5-66.9172.5000112.1T12 E15 L16 V19 E27 A28 G33 C34 V37T12-L31 HydrophobicContact CG2-CD2 3.72Å; E15-L31 HydrophobicContact CB-CD1 4.41Å; E15-L31 HydrophobicContact CG-CD1 4.02Å; L16-L31 HydrophobicContact CB-CD1 4.25Å; L16-L31 HydrophobicContact CD1-CB 4.3Å; L16-L31 HydrophobicContact CD1-CD1 4.4Å; V19-L31 HydrophobicContact CB-CD1 4.39Å; V19-L31 HydrophobicContact CG2-CD1 3.98Å; E27-L31 HydrophobicContact CG-CD1 4.46Å; E27-L31 WeakPolarHBondContact O-CG 3.32Å; E27-L31 PolarHBondContact O-N 2.97Å; A28-L31 PolarHBondContact O-N 3.17Å; L31-G33 PolarHBondContact O-N 3.23Å; L31-G33 VanDerWaalsContact O-N 3.17Å; L31-C34 VanDerWaalsContact O-CB 3.28Å; L31-C34 WeakPolarHBondContact O-CB 3.16Å; L31-C34 PolarHBondContact O-N 2.6Å; L31-V37 WeakPolarHBondContact O-CB 3.28Å; L31-V37 VanDerWaalsContact O-CG2 3.3Å; L31-V37 WeakPolarHBondContact O-CG2 3.3Å
32L93.7Very high93.1Very high16 Ų1656.6 Ų56.68%0.08431%0.311CS..Hα-helixtrans-66.3-14.6177.3-70.6168.1000113.7L16 A28 V37 V39 L64 L65L16-L32 HydrophobicContact CD1-CD2 4.41Å; L16-L32 HydrophobicContact CD1-CG 4.2Å; L16-L32 HydrophobicContact CD2-CD2 3.92Å; A28-L32 WeakPolarHBondContact O-CB 3.42Å; A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.29Å; L32-V37 HydrophobicContact CD2-CG1 4.14Å; L32-V39 HydrophobicContact CD2-CB 4.23Å; L32-V39 HydrophobicContact CD2-CG2 4.09Å; L32-L64 HydrophobicContact CD1-CD2 3.99Å; L32-L64 HydrophobicContact CD1-CG 4.02Å; L32-L65 HydrophobicContact CD1-CD2 3.88Å; L32-L65 HydrophobicContact CD2-CD2 4.26Å
33G91.6Very high93.2Very high60 Ų6053.7 Ų53.762%0.61928%0.284SS*.THydrogen-bonded Turntrans-80.8-14171.200000113.9S29 R30 L31S29-G33 PolarHBondContact O-N 2.83Å; R30-G33 PolarHBondContact O-N 3.21Å; L31-G33 PolarHBondContact O-N 3.23Å; L31-G33 VanDerWaalsContact O-N 3.17Å
34C90.8Very high93.3Very high40 Ų4059.7 Ų59.727%0.2731%0.306SS..SBendtrans-77.8139.4179.2-60.60000110.9L31 D36 V37L31-C34 VanDerWaalsContact O-CB 3.28Å; L31-C34 WeakPolarHBondContact O-CB 3.16Å; L31-C34 PolarHBondContact O-N 2.6Å; C34-D36 WeakPolarHBondContact CB-OD1 3.43Å; C34-D36 PolarHBondContact O-N 2.91Å; C34-V37 HydrophobicContact CB-CG2 4.12Å; C34-V37 PolarHBondContact O-N 3.23Å
35K82.7Confident93.3Very high220 Ų22062 Ų6296%0.95731%0.31SS*.THydrogen-bonded Turntrans-67.7-21.2-174.4-72.3-174.6178.3179.60114
36D86.3Confident93.3Very high85 Ų8560.2 Ų60.246%0.45530%0.299SS..THydrogen-bonded Turntrans-87-9.7-178.658.6-46.6000113.4T12 C34T12-D36 PolarHBondContact OG1-OD2 3.33Å; C34-D36 WeakPolarHBondContact CB-OD1 3.43Å; C34-D36 PolarHBondContact O-N 2.91Å
37V91.4Very high93.3Very high16 Ų1654.4 Ų54.410%0.09727%0.272CS..  trans-94.4117.5-178.1177.60000110.8T12 E13 L16 L31 L32 C34T12-V37 HydrophobicContact CG2-CG2 3.41Å; T12-V37 VanDerWaalsContact CG2-CG2 3.41Å; E13-V37 HydrophobicContact CG-CG1 4.35Å; L16-V37 HydrophobicContact CD2-CG1 3.79Å; L31-V37 WeakPolarHBondContact O-CB 3.28Å; L31-V37 VanDerWaalsContact O-CG2 3.3Å; L31-V37 WeakPolarHBondContact O-CG2 3.3Å; L32-V37 HydrophobicContact CD2-CG1 4.14Å; C34-V37 HydrophobicContact CB-CG2 4.12Å; C34-V37 PolarHBondContact O-N 3.23Å
38R93.8Very high93.4Very high81 Ų8152.1 Ų52.131%0.30626%0.261SS..  trans-89.2121.7172.2-61.2166-68-178-0.4109.2D8 E13 N40 C41D8-R38 PolarHBondContact O-NH2 3.37Å; D8-R38 IonicContact OD2-NH1 3.42Å; E13-R38 WeakPolarHBondContact OE1-CB 3.41Å; E13-R38 IonicContact OE1-CZ 3.86Å; E13-R38 PolarHBondContact OE1-N 3.43Å; E13-R38 VanDerWaalsContact OE1-N 3.11Å; E13-R38 IonicContact OE1-NE 2.64Å; E13-R38 PolarHBondContact OE1-NE 3.01Å; E13-R38 IonicContact OE1-NH2 3.86Å; E13-R38 PolarHBondContact OE1-NH2 3.48Å; E13-R38 VanDerWaalsContact OE1-NH2 3.14Å; E13-R38 IonicContact OE2-CZ 2.79Å; E13-R38 IonicContact OE2-NE 2.66Å; E13-R38 IonicContact OE2-NH2 3.62Å; E13-R38 PolarHBondContact OE2-NH2 2.96Å; R38-N40 PolarHBondContact O-N 3.08Å; R38-N40 VanDerWaalsContact O-N 3.17Å; R38-C41 HydrophobicContact CB-CB 4.22Å; R38-C41 VanDerWaalsContact O-CB 3.32Å; R38-C41 WeakPolarHBondContact O-CB 3.39Å; R38-C41 PolarHBondContact O-N 3.09Å; R38-C41 PolarHBondContact O-SG 3.15Å; R38-C41 VanDerWaalsContact O-SG 3.32Å
39V94.6Very high93.5Very high22 Ų2252.1 Ų52.113%0.13326%0.261CS..THydrogen-bonded Turntrans-59.4-27.6176.2700000113L32 P49 L65 H68 A70L32-V39 HydrophobicContact CD2-CB 4.23Å; L32-V39 HydrophobicContact CD2-CG2 4.09Å; V39-P49 WeakPolarHBondContact O-CD 3.39Å; V39-P49 WeakPolarHBondContact O-CG 3.4Å; V39-L65 HydrophobicContact CG2-CD2 4.08Å; V39-H68 HydrophobicContact CG2-CB 4.03Å; V39-A70 HydrophobicContact CG2-CB 3.94Å
40N95.3Very high93.6Very high54 Ų5449.4 Ų49.429%0.28924%0.243SC..THydrogen-bonded Turntrans-105.630.4178.5-62.8-42.5000112R38 G69 A70 D71R38-N40 PolarHBondContact O-N 3.08Å; R38-N40 VanDerWaalsContact O-N 3.17Å; N40-G69 PolarHBondContact ND2-O 2.85Å; N40-A70 VanDerWaalsContact OD1-CA 3.32Å; N40-A70 WeakPolarHBondContact OD1-CA 3.26Å; N40-D71 PolarHBondContact OD1-N 3.48Å
41C94.6Very high93.7Very high0 Ų043.4 Ų43.40%022%0.22CC..  trans-62.3158.2170.166.30000110.7L9 E13 F17 R38 P49L9-C41 HydrophobicContact CD2-CB 3.62Å; E13-C41 HydrophobicContact CB-CB 4.45Å; E13-C41 HydrophobicContact CG-CB 4.13Å; E13-C41 WeakPolarHBondContact OE1-CB 3.47Å; F17-C41 VanDerWaalsContact CE2-SG 3.55Å; R38-C41 HydrophobicContact CB-CB 4.22Å; R38-C41 VanDerWaalsContact O-CB 3.32Å; R38-C41 WeakPolarHBondContact O-CB 3.39Å; R38-C41 PolarHBondContact O-N 3.09Å; R38-C41 PolarHBondContact O-SG 3.15Å; R38-C41 VanDerWaalsContact O-SG 3.32Å; C41-P49 WeakPolarHBondContact O-CD 3.16Å; C41-P49 VanDerWaalsContact SG-CG 3.55Å
42L95.4Very high93.8Very high2 Ų244.7 Ų44.71%0.0123%0.226CC..  trans-126.4127.4-172.3-61.8172.7000109.7A4 G7 L9 T48 Q76A4-L42 HydrophobicContact CB-CD1 4Å; A4-L42 HydrophobicContact CB-CG 4.11Å; A4-L42 WeakPolarHBondContact O-CD1 3.49Å; G7-L42 PolarHBondContact N-O 2.87Å; L9-L42 VanDerWaalsContact CD2-O 3.29Å; L9-L42 WeakPolarHBondContact CD2-O 3.31Å; L9-L42 WeakPolarHBondContact CG-O 3.34Å; L42-T48 HydrophobicContact CD2-CG2 3.74Å; L42-Q76 HydrophobicContact CD1-CB 4.23Å; L42-Q76 HydrophobicContact CD1-CG 4.49Å; L42-Q76 HydrophobicContact CD2-CB 4.31Å
43D94.3Very high94Very high17 Ų1743.9 Ų43.99%0.09122%0.222CC..  trans-70.7-175.7170.174.37.5000112.1G7 L9 F17 Y45 G46 M47 H52G7-D43 PolarHBondContact N-O 3.18Å; G7-D43 VanDerWaalsContact N-O 3.08Å; L9-D43 HydrophobicContact CD1-CB 4.37Å; F17-D43 HydrophobicContact CE1-CB 4.49Å; F17-D43 HydrophobicContact CE2-CB 4.48Å; F17-D43 HydrophobicContact CZ-CB 4.2Å; D43-Y45 PolarHBondContact O-N 3.49Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.46Å; D43-Y45 PolarHBondContact OD1-N 2.92Å; D43-G46 PolarHBondContact O-N 3.32Å; D43-G46 PolarHBondContact OD1-N 2.93Å; D43-M47 PolarHBondContact N-O 2.95Å; D43-M47 VanDerWaalsContact N-O 3.09Å; D43-M47 PolarHBondContact OD1-N 2.89Å; D43-H52 IonicContact OD2-CD2 2.82Å; D43-H52 IonicContact OD2-CE1 3.91Å; D43-H52 IonicContact OD2-NE2 2.96Å; D43-H52 PolarHBondContact OD2-NE2 3.16Å
44E94.2Very high94.3Very high151 Ų15141 Ų4171%0.70619%0.192SC*.THydrogen-bonded Turntrans-61.5-27.3-178-61.9177.7163.900112.6
45Y94.3Very high94.6Very high121 Ų12145.5 Ų45.548%0.47520%0.204SC..THydrogen-bonded Turntrans-91.1-5.6178-54.4-77.5000112.5D43 H77 E78D43-Y45 PolarHBondContact O-N 3.49Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.46Å; D43-Y45 PolarHBondContact OD1-N 2.92Å; Y45-H77 CarbonylContact O-C 3.52Å; Y45-H77 WeakPolarHBondContact O-CA 3.42Å; Y45-E78 PolarHBondContact O-N 3.08Å
46G94.6Very high95.2Very high0 Ų039.1 Ų39.10%018%0.177CC..  trans8020-175.100000113.9D43 Q76 H77D43-G46 PolarHBondContact O-N 3.32Å; D43-G46 PolarHBondContact OD1-N 2.93Å; G46-Q76 CarbonylContact O-C 3.59Å; G46-H77 WeakPolarHBondContact O-CA 3.46Å; G46-H77 PolarHBondContact O-N 3.14Å
47M95.6Very high95.6Very high25 Ų2536.1 Ų36.112%0.12317%0.166CC..  trans-79.5140.7170.6-70.5-158.4-72.500111.6D43 M51 H52 H77 F86D43-M47 PolarHBondContact N-O 2.95Å; D43-M47 VanDerWaalsContact N-O 3.09Å; D43-M47 PolarHBondContact OD1-N 2.89Å; M47-M51 HydrophobicContact CB-CB 4.27Å; M47-M51 HydrophobicContact CB-SD 4.23Å; M47-M51 HydrophobicContact CG-CB 4.48Å; M47-M51 HydrophobicContact CG-SD 4.34Å; M47-M51 HydrophobicContact SD-CB 4.43Å; M47-H52 WeakPolarHBondContact CE-CE1 3.13Å; M47-H52 WeakPolarHBondContact CE-NE2 3.4Å; M47-H77 WeakPolarHBondContact CG-CD2 3.04Å; M47-F86 HydrophobicContact CG-CE2 4.43Å; M47-F86 HydrophobicContact CG-CZ 4.36Å; M47-F86 HydrophobicContact SD-CE1 4.32Å; M47-F86 HydrophobicContact SD-CE2 4.06Å; M47-F86 HydrophobicContact SD-CZ 3.71Å
48T96.8Very high95.8Very high0 Ų039.2 Ų39.20%018%0.178CC..  trans-85.2160.7171.367.50000111.6L42 L50 M51 H52 C74L42-T48 HydrophobicContact CD2-CG2 3.74Å; T48-L50 PolarHBondContact O-N 3.17Å; T48-L50 VanDerWaalsContact O-N 3.16Å; T48-L50 PolarHBondContact OG1-N 3.35Å; T48-M51 HydrophobicContact CG2-CE 4.4Å; T48-M51 HydrophobicContact CG2-SD 4.44Å; T48-M51 WeakPolarHBondContact O-CB 3.24Å; T48-M51 PolarHBondContact O-N 3.12Å; T48-M51 VanDerWaalsContact O-N 3.08Å; T48-M51 WeakPolarHBondContact OG1-CG 3.26Å; T48-M51 PolarHBondContact OG1-N 3.1Å; T48-H52 PolarHBondContact O-CD2 3.13Å; T48-H52 PolarHBondContact O-N 3.36Å; T48-H52 VanDerWaalsContact O-N 3.15Å; T48-C74 HydrophobicContact CG2-CB 3.85Å; T48-C74 VanDerWaalsContact CG2-SG 3.5Å
49P97.4Very high96Very high0 Ų036.3 Ų36.30%017%0.171CC..Hα-helixtrans-46.3-40.1166.4-36.241.2000113.8L16 F17 I20 V39 C41 H52 A53 L65L16-P49 HydrophobicContact CD2-CG 4.11Å; F17-P49 HydrophobicContact CE1-CG 4.05Å; F17-P49 HydrophobicContact CZ-CG 3.9Å; I20-P49 HydrophobicContact CD1-CB 3.52Å; I20-P49 HydrophobicContact CD1-CG 4.42Å; V39-P49 WeakPolarHBondContact O-CD 3.39Å; V39-P49 WeakPolarHBondContact O-CG 3.4Å; C41-P49 WeakPolarHBondContact O-CD 3.16Å; C41-P49 VanDerWaalsContact SG-CG 3.55Å; P49-H52 PolarHBondContact O-N 3.46Å; P49-A53 PolarHBondContact O-N 2.91Å; P49-L65 HydrophobicContact CB-CD1 4.02Å; P49-L65 HydrophobicContact CB-CD2 3.77Å; P49-L65 WeakPolarHBondContact O-CD1 3.34Å
50L98.3Very high96.1Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-67.6-41.2-179.8-177.163.9000112T48 A53 A54 C62 L65 L66 A70 V72 A83 M99T48-L50 PolarHBondContact O-N 3.17Å; T48-L50 VanDerWaalsContact O-N 3.16Å; T48-L50 PolarHBondContact OG1-N 3.35Å; L50-A53 PolarHBondContact O-N 2.82Å; L50-A54 WeakPolarHBondContact O-CB 3.35Å; L50-A54 PolarHBondContact O-N 3.2Å; L50-C62 HydrophobicContact CD1-CB 4.18Å; L50-L65 HydrophobicContact CB-CD1 4.44Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.49Å; L50-L66 HydrophobicContact CD1-CD2 4.29Å; L50-L66 HydrophobicContact CD1-CG 4.02Å; L50-L66 HydrophobicContact CD2-CD2 3.71Å; L50-L66 HydrophobicContact CD2-CG 4.36Å; L50-A70 HydrophobicContact CB-CB 4.12Å; L50-A70 HydrophobicContact CD2-CB 3.95Å; L50-A70 HydrophobicContact CG-CB 4.47Å; L50-V72 HydrophobicContact CD2-CB 4.34Å; L50-V72 HydrophobicContact CD2-CG2 4.38Å; L50-A83 HydrophobicContact CD2-CB 3.96Å; L50-A83 HydrophobicContact CG-CB 4.06Å; L50-M99 HydrophobicContact CD1-CE 3.91Å; L50-M99 HydrophobicContact CD1-SD 4.23Å; L50-M99 HydrophobicContact CD2-SD 4.1Å; L50-M99 HydrophobicContact CG-SD 4.23Å
51M97.8Very high96.2Very high1 Ų138.2 Ų38.21%0.00518%0.181CC..Hα-helixtrans-61.8-43.7175.6-69.3172.2-178.300111.6M47 T48 A54 Y55 C74 H77 Y81 A83 F86M47-M51 HydrophobicContact CB-CB 4.27Å; M47-M51 HydrophobicContact CB-SD 4.23Å; M47-M51 HydrophobicContact CG-CB 4.48Å; M47-M51 HydrophobicContact CG-SD 4.34Å; M47-M51 HydrophobicContact SD-CB 4.43Å; T48-M51 HydrophobicContact CG2-CE 4.4Å; T48-M51 HydrophobicContact CG2-SD 4.44Å; T48-M51 WeakPolarHBondContact O-CB 3.24Å; T48-M51 PolarHBondContact O-N 3.12Å; T48-M51 VanDerWaalsContact O-N 3.08Å; T48-M51 WeakPolarHBondContact OG1-CG 3.26Å; T48-M51 PolarHBondContact OG1-N 3.1Å; M51-A54 PolarHBondContact O-N 2.89Å; M51-Y55 WeakPolarHBondContact O-CB 3.44Å; M51-Y55 PolarHBondContact O-N 2.91Å; M51-C74 HydrophobicContact CE-CB 4.03Å; M51-C74 WeakPolarHBondContact CE-O 3.15Å; M51-H77 HydrophobicContact SD-CB 4.49Å; M51-Y81 WeakPolarHBondContact CE-O 3.28Å; M51-A83 HydrophobicContact CG-CB 4.4Å; M51-F86 HydrophobicContact CB-CD2 3.68Å; M51-F86 HydrophobicContact CB-CE2 3.86Å; M51-F86 HydrophobicContact CG-CD2 3.82Å; M51-F86 HydrophobicContact CG-CE2 3.98Å; M51-F86 HydrophobicContact SD-CD2 4.4Å; M51-F86 HydrophobicContact SD-CE2 3.99Å
52H97.3Very high96.3Very high27 Ų2738.2 Ų38.213%0.12518%0.181CC..Hα-helixtrans-59.5-47.4174.6-86.7-97.3000112F17 I20 D43 M47 T48 P49 A54 K56F17-H52 AromaticContact CD1-CD2 3.58Å; F17-H52 AromaticContact CD1-CG 3.94Å; F17-H52 AromaticContact CD1-NE2 3.73Å; F17-H52 AromaticContact CE1-CD2 3.41Å; F17-H52 VanDerWaalsContact CE1-CD2 3.41Å; F17-H52 WeakPolarHBondContact CE1-CD2 3.32Å; F17-H52 AromaticContact CE1-NE2 3.72Å; I20-H52 HydrophobicContact CG2-CB 4.06Å; D43-H52 IonicContact OD2-CD2 2.82Å; D43-H52 IonicContact OD2-CE1 3.91Å; D43-H52 IonicContact OD2-NE2 2.96Å; D43-H52 PolarHBondContact OD2-NE2 3.16Å; M47-H52 WeakPolarHBondContact CE-CE1 3.13Å; M47-H52 WeakPolarHBondContact CE-NE2 3.4Å; T48-H52 PolarHBondContact O-CD2 3.13Å; T48-H52 PolarHBondContact O-N 3.36Å; T48-H52 VanDerWaalsContact O-N 3.15Å; P49-H52 PolarHBondContact O-N 3.46Å; H52-A54 VanDerWaalsContact C-N 3.34Å; H52-A54 PolarHBondContact O-N 2.93Å; H52-K56 WeakPolarHBondContact O-CB 3.25Å; H52-K56 VanDerWaalsContact O-CG 3.31Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 3.34Å
53A97.6Very high96.4Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-62.6-41.3178.700000112.1I20 P49 L50 G57 K58 M61 C62 L65I20-A53 HydrophobicContact CG2-CB 4.06Å; P49-A53 PolarHBondContact O-N 2.91Å; L50-A53 PolarHBondContact O-N 2.82Å; A53-G57 PolarHBondContact O-N 3.49Å; A53-K58 PolarHBondContact O-N 2.94Å; A53-M61 HydrophobicContact CB-CB 4Å; A53-M61 HydrophobicContact CB-CG 3.82Å; A53-C62 VanDerWaalsContact C-SG 3.54Å; A53-L65 HydrophobicContact CB-CD1 3.88Å
54A97.7Very high96.6Very high0 Ų042.9 Ų42.90%020%0.201CC..Hα-helixtrans-66.4-48.517900000111.6L50 M51 H52 K56 G57 F86 A87 S90 I95L50-A54 WeakPolarHBondContact O-CB 3.35Å; L50-A54 PolarHBondContact O-N 3.2Å; M51-A54 PolarHBondContact O-N 2.89Å; H52-A54 VanDerWaalsContact C-N 3.34Å; H52-A54 PolarHBondContact O-N 2.93Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.25Å; A54-G57 PolarHBondContact O-N 2.95Å; A54-G57 VanDerWaalsContact O-N 3.11Å; A54-F86 HydrophobicContact CB-CB 4.19Å; A54-A87 HydrophobicContact CB-CB 4.41Å; A54-S90 VanDerWaalsContact O-CB 3.3Å; A54-S90 WeakPolarHBondContact O-CB 3.38Å; A54-I95 HydrophobicContact CB-CG2 4.02Å
55Y96.3Very high96.8Very high133 Ų13335.7 Ų35.752%0.52217%0.167SC..Hα-helixtrans-60.1-41.7178-180-119.3000112.1M51 G57 F86M51-Y55 WeakPolarHBondContact O-CB 3.44Å; M51-Y55 PolarHBondContact O-N 2.91Å; Y55-G57 PolarHBondContact O-N 2.91Å; Y55-F86 AromaticContact CD2-CD1 3.79Å; Y55-F86 HydrophobicContact CD2-CD1 3.79Å; Y55-F86 HydrophobicContact CD2-CE1 4.42Å; Y55-F86 HydrophobicContact CG-CD1 4.03Å
56K95.3Very high96.9Very high87 Ų8731.6 Ų31.638%0.37815%0.153SC..THydrogen-bonded Turntrans-78.11179-66.7-173.2-178.9-149.70114.3S21 H52 A54 K58S21-K56 PolarHBondContact OG-NZ 3.4Å; H52-K56 WeakPolarHBondContact O-CB 3.25Å; H52-K56 VanDerWaalsContact O-CG 3.31Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 3.34Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.25Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 HydrophobicContact CB-CG 3.96Å; K56-K58 PolarHBondContact O-N 3.04Å
57G95.4Very high97Very high22 Ų2240.6 Ų40.623%0.22719%0.188CC..THydrogen-bonded Turntrans68.229.2177.900000114.1A53 A54 Y55 A59 I95A53-G57 PolarHBondContact O-N 3.49Å; A54-G57 PolarHBondContact O-N 2.95Å; A54-G57 VanDerWaalsContact O-N 3.11Å; Y55-G57 PolarHBondContact O-N 2.91Å; G57-A59 PolarHBondContact O-N 2.85Å; G57-I95 VanDerWaalsContact CA-CD1 3.43Å
58K96.1Very high97Very high80 Ų8043.3 Ų43.335%0.34820%0.2SC..  trans-95.782.7-176.3-56.8-59.5-176.51780111.2A53 K56 D60 M61 C62A53-K58 PolarHBondContact O-N 2.94Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 HydrophobicContact CB-CG 3.96Å; K56-K58 PolarHBondContact O-N 3.04Å; K58-D60 PolarHBondContact O-N 3.25Å; K58-M61 HydrophobicContact CB-CB 3.81Å; K58-M61 WeakPolarHBondContact O-CB 3.43Å; K58-M61 PolarHBondContact O-N 3.27Å; K58-M61 VanDerWaalsContact O-N 3.16Å; K58-C62 PolarHBondContact O-N 3.12Å; K58-C62 PolarHBondContact O-SG 3.45Å
59A96.7Very high96.9Very high20 Ų2045.6 Ų45.617%0.16522%0.223CC..Hα-helixtrans-58.1-46-174.200000114.1G57 M61 C62 K63 D94 I95 M98G57-A59 PolarHBondContact O-N 2.85Å; A59-M61 VanDerWaalsContact C-N 3.26Å; A59-M61 PolarHBondContact O-N 3.36Å; A59-C62 WeakPolarHBondContact O-CB 3.39Å; A59-C62 PolarHBondContact O-N 3.24Å; A59-K63 PolarHBondContact O-N 3.18Å; A59-D94 VanDerWaalsContact CB-OD2 3.29Å; A59-D94 WeakPolarHBondContact CB-OD2 3.25Å; A59-I95 HydrophobicContact CB-CD1 4.31Å; A59-I95 HydrophobicContact CB-CG1 3.89Å; A59-M98 HydrophobicContact CB-CE 4.33Å; A59-M98 WeakPolarHBondContact O-CE 3.48Å
60D97Very high96.9Very high115 Ų11546.1 Ų46.162%0.61523%0.228SC*.Hα-helixtrans-63.9-34178.8-69.3-38.1000112.5V25 K58 K63 L64V25-D60 HydrophobicContact CG2-CB 3.87Å; K58-D60 PolarHBondContact O-N 3.25Å; D60-K63 PolarHBondContact O-N 2.98Å; D60-L64 PolarHBondContact O-N 3.31Å
61M97.6Very high96.9Very high2 Ų249.8 Ų49.81%0.0125%0.247CC..Hα-helixtrans-70.5-42.6176.2-168.160.370.300111.4I20 V25 A28 A53 K58 A59 K63 L64 L65I20-M61 HydrophobicContact CB-CG 4.39Å; I20-M61 HydrophobicContact CG1-CE 4.33Å; I20-M61 HydrophobicContact CG1-CG 3.91Å; I20-M61 HydrophobicContact CG1-SD 3.87Å; I20-M61 HydrophobicContact CG2-CG 4.11Å; V25-M61 HydrophobicContact CB-CE 4.39Å; V25-M61 HydrophobicContact CG2-CE 4.03Å; A28-M61 HydrophobicContact CB-CE 3.54Å; A28-M61 HydrophobicContact CB-SD 3.51Å; A28-M61 VanDerWaalsContact CB-SD 3.51Å; A53-M61 HydrophobicContact CB-CB 4Å; A53-M61 HydrophobicContact CB-CG 3.82Å; K58-M61 HydrophobicContact CB-CB 3.81Å; K58-M61 WeakPolarHBondContact O-CB 3.43Å; K58-M61 PolarHBondContact O-N 3.27Å; K58-M61 VanDerWaalsContact O-N 3.16Å; A59-M61 VanDerWaalsContact C-N 3.26Å; A59-M61 PolarHBondContact O-N 3.36Å; M61-K63 VanDerWaalsContact C-N 3.28Å; M61-K63 PolarHBondContact O-N 3.24Å; M61-L64 PolarHBondContact O-N 3Å; M61-L64 HydrophobicContact SD-CD2 4.1Å; M61-L65 HydrophobicContact CG-CD1 4Å; M61-L65 WeakPolarHBondContact O-CB 3.45Å; M61-L65 VanDerWaalsContact O-CG 3.3Å; M61-L65 WeakPolarHBondContact O-CG 3.49Å; M61-L65 PolarHBondContact O-N 3.37Å
62C97.9Very high96.9Very high0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-56.4-45.9172.9-650000110.9L50 A53 K58 A59 L64 L65 L66 M98 M99L50-C62 HydrophobicContact CD1-CB 4.18Å; A53-C62 VanDerWaalsContact C-SG 3.54Å; K58-C62 PolarHBondContact O-N 3.12Å; K58-C62 PolarHBondContact O-SG 3.45Å; A59-C62 WeakPolarHBondContact O-CB 3.39Å; A59-C62 PolarHBondContact O-N 3.24Å; C62-L64 PolarHBondContact O-N 3Å; C62-L65 PolarHBondContact O-N 2.97Å; C62-L66 WeakPolarHBondContact O-CB 3.37Å; C62-L66 VanDerWaalsContact O-CG 3.28Å; C62-L66 WeakPolarHBondContact O-CG 3.45Å; C62-L66 PolarHBondContact O-N 3.38Å; C62-M98 HydrophobicContact CB-SD 3.99Å; C62-M99 HydrophobicContact CB-CE 3.79Å
63K97.6Very high96.8Very high96 Ų9650.9 Ų50.942%0.41725%0.254SS..Hα-helixtrans-62.2-42.6178.8-170.8177.3-176.8176.20112.4A59 D60 M61 R67 M98A59-K63 PolarHBondContact O-N 3.18Å; D60-K63 PolarHBondContact O-N 2.98Å; M61-K63 VanDerWaalsContact C-N 3.28Å; M61-K63 PolarHBondContact O-N 3.24Å; K63-R67 VanDerWaalsContact O-CG 3.29Å; K63-R67 WeakPolarHBondContact O-CG 3.34Å; K63-R67 PolarHBondContact O-N 3.33Å; K63-R67 VanDerWaalsContact O-N 3.16Å; K63-M98 WeakPolarHBondContact CA-SD 3.38Å; K63-M98 HydrophobicContact CB-CE 4.19Å; K63-M98 HydrophobicContact CB-SD 3.63Å; K63-M98 HydrophobicContact CG-SD 4.28Å; K63-M98 PolarHBondContact N-SD 3.41Å; K63-M98 VanDerWaalsContact N-SD 3.42Å
64L97.5Very high96.7Very high20 Ų2051.3 Ų51.311%0.10526%0.257CS..Hα-helixtrans-61.5-51.4176178.367000110.7V25 A28 L32 D60 M61 C62 L66 R67 H68V25-L64 HydrophobicContact CG1-CD2 4Å; A28-L64 HydrophobicContact CB-CD2 3.87Å; L32-L64 HydrophobicContact CD1-CD2 3.99Å; L32-L64 HydrophobicContact CD1-CG 4.02Å; D60-L64 PolarHBondContact O-N 3.31Å; M61-L64 PolarHBondContact O-N 3Å; M61-L64 HydrophobicContact SD-CD2 4.1Å; C62-L64 PolarHBondContact O-N 3Å; L64-L66 PolarHBondContact O-N 2.91Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 3.48Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L64-H68 PolarHBondContact O-CD2 3.03Å; L64-H68 PolarHBondContact O-N 3.47Å; L64-H68 VanDerWaalsContact O-N 3.14Å
65L97.9Very high96.5Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-61.2-44.6-177.7-70.5166.1000112.2I20 L32 V39 P49 L50 A53 M61 C62 R67 H68 G69 A70I20-L65 HydrophobicContact CD1-CD1 4.2Å; I20-L65 HydrophobicContact CD1-CD2 4.46Å; L32-L65 HydrophobicContact CD1-CD2 3.88Å; L32-L65 HydrophobicContact CD2-CD2 4.26Å; V39-L65 HydrophobicContact CG2-CD2 4.08Å; P49-L65 HydrophobicContact CB-CD1 4.02Å; P49-L65 HydrophobicContact CB-CD2 3.77Å; P49-L65 WeakPolarHBondContact O-CD1 3.34Å; L50-L65 HydrophobicContact CB-CD1 4.44Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.49Å; A53-L65 HydrophobicContact CB-CD1 3.88Å; M61-L65 HydrophobicContact CG-CD1 4Å; M61-L65 WeakPolarHBondContact O-CB 3.45Å; M61-L65 VanDerWaalsContact O-CG 3.3Å; M61-L65 WeakPolarHBondContact O-CG 3.49Å; M61-L65 PolarHBondContact O-N 3.37Å; C62-L65 PolarHBondContact O-N 2.97Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.06Å; L65-H68 CarbonylContact O-C 3.45Å; L65-H68 PolarHBondContact O-N 3.19Å; L65-G69 PolarHBondContact O-N 3Å; L65-A70 HydrophobicContact CB-CB 4.04Å; L65-A70 WeakPolarHBondContact O-CB 3.42Å; L65-A70 PolarHBondContact O-N 3.29Å
66L97.7Very high96.4Very high35 Ų3553.5 Ų53.518%0.18328%0.275CS..Hα-helixtrans-60.3-39.5175.6-72.4170.9000112.3L50 C62 L64 H68 G69 V72 M98 M99 A102L50-L66 HydrophobicContact CD1-CD2 4.29Å; L50-L66 HydrophobicContact CD1-CG 4.02Å; L50-L66 HydrophobicContact CD2-CD2 3.71Å; L50-L66 HydrophobicContact CD2-CG 4.36Å; C62-L66 WeakPolarHBondContact O-CB 3.37Å; C62-L66 VanDerWaalsContact O-CG 3.28Å; C62-L66 WeakPolarHBondContact O-CG 3.45Å; C62-L66 PolarHBondContact O-N 3.38Å; L64-L66 PolarHBondContact O-N 2.91Å; L66-H68 PolarHBondContact O-N 2.94Å; L66-G69 PolarHBondContact O-N 3.12Å; L66-V72 HydrophobicContact CD2-CB 4.34Å; L66-M98 HydrophobicContact CD1-CG 3.74Å; L66-M98 HydrophobicContact CD1-SD 3.96Å; L66-M99 HydrophobicContact CD1-CE 3.94Å; L66-A102 HydrophobicContact CD1-CB 4.02Å; L66-A102 HydrophobicContact CD2-CB 3.6Å; L66-A102 HydrophobicContact CG-CB 4.39Å
67R96.3Very high96.4Very high190 Ų19050.3 Ų50.372%0.71726%0.261SS*.Hα-helixtrans-64.1-29.2174.8-76.7172169.2-176.7-6.9113.3K63 L64 L65 G69K63-R67 VanDerWaalsContact O-CG 3.29Å; K63-R67 WeakPolarHBondContact O-CG 3.34Å; K63-R67 PolarHBondContact O-N 3.33Å; K63-R67 VanDerWaalsContact O-N 3.16Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 3.48Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.06Å; R67-G69 PolarHBondContact O-N 3.4Å
68H95.6Very high96.4Very high82 Ų8254.1 Ų54.138%0.3827%0.273SS..THydrogen-bonded Turntrans-85.69.6174.8-80.3-98.1000113.3V39 L64 L65 L66V39-H68 HydrophobicContact CG2-CB 4.03Å; L64-H68 PolarHBondContact O-CD2 3.03Å; L64-H68 PolarHBondContact O-N 3.47Å; L64-H68 VanDerWaalsContact O-N 3.14Å; L65-H68 CarbonylContact O-C 3.45Å; L65-H68 PolarHBondContact O-N 3.19Å; L66-H68 PolarHBondContact O-N 2.94Å
69G95.3Very high96.3Very high48 Ų4854.4 Ų54.450%0.49528%0.276SS..THydrogen-bonded Turntrans82.828.7175.800000114N40 L65 L66 R67 D71N40-G69 PolarHBondContact ND2-O 2.85Å; L65-G69 PolarHBondContact O-N 3Å; L66-G69 PolarHBondContact O-N 3.12Å; R67-G69 PolarHBondContact O-N 3.4Å; G69-D71 PolarHBondContact O-N 3.3Å
70A97.1Very high96.2Very high11 Ų1154.3 Ų54.39%0.09128%0.277CS..  trans-57.7133.6170.100000111V39 N40 L50 L65 V72V39-A70 HydrophobicContact CG2-CB 3.94Å; N40-A70 VanDerWaalsContact OD1-CA 3.32Å; N40-A70 WeakPolarHBondContact OD1-CA 3.26Å; L50-A70 HydrophobicContact CB-CB 4.12Å; L50-A70 HydrophobicContact CD2-CB 3.95Å; L50-A70 HydrophobicContact CG-CB 4.47Å; L65-A70 HydrophobicContact CB-CB 4.04Å; L65-A70 WeakPolarHBondContact O-CB 3.42Å; L65-A70 PolarHBondContact O-N 3.29Å; A70-V72 PolarHBondContact O-N 3.39Å
71D97Very high96.2Very high77 Ų7750.9 Ų50.941%0.41226%0.256SS..  trans-78110176.21799.4000109.9N40 G69 N73 C74N40-D71 PolarHBondContact OD1-N 3.48Å; G69-D71 PolarHBondContact O-N 3.3Å; D71-N73 VanDerWaalsContact C-N 3.29Å; D71-N73 PolarHBondContact O-N 3.09Å; D71-N73 PolarHBondContact OD1-N 2.74Å; D71-C74 HydrophobicContact CB-CB 4.34Å; D71-C74 PolarHBondContact OD1-N 2.88Å; D71-C74 PolarHBondContact OD2-N 3.43Å
72V97.3Very high96.2Very high8 Ų850.9 Ų50.95%0.04826%0.256CS..THydrogen-bonded Turntrans-71.4-24.9-17972.80000112.8L50 L66 A70 A83 M99 A102 A104L50-V72 HydrophobicContact CD2-CB 4.34Å; L50-V72 HydrophobicContact CD2-CG2 4.38Å; L66-V72 HydrophobicContact CD2-CB 4.34Å; A70-V72 PolarHBondContact O-N 3.39Å; V72-A83 HydrophobicContact CG2-CB 4.31Å; V72-M99 HydrophobicContact CG2-CB 4Å; V72-M99 HydrophobicContact CG2-CG 4.4Å; V72-M99 HydrophobicContact CG2-SD 3.75Å; V72-A102 HydrophobicContact CB-CB 4.24Å; V72-A102 HydrophobicContact CG1-CB 4.33Å; V72-A102 HydrophobicContact CG2-CB 4.23Å; V72-A104 HydrophobicContact CG1-CB 4.42Å; V72-A104 HydrophobicContact CG2-CB 3.81Å
73N97Very high96.2Very high43 Ų4350.9 Ų50.923%0.2326%0.256CS..THydrogen-bonded Turntrans-101.99-175.7-69.6-40.1000113D71 N75 G103 A104 E105D71-N73 VanDerWaalsContact C-N 3.29Å; D71-N73 PolarHBondContact O-N 3.09Å; D71-N73 PolarHBondContact OD1-N 2.74Å; N73-N75 PolarHBondContact O-N 3.5Å; N73-G103 PolarHBondContact ND2-O 3.19Å; N73-A104 VanDerWaalsContact OD1-CA 3.28Å; N73-A104 WeakPolarHBondContact OD1-CA 3.17Å; N73-E105 PolarHBondContact OD1-N 3.25Å
74C94.9Very high96.2Very high8 Ų846.3 Ų46.35%0.05424%0.236CC..  trans-53.3130.8171.2-179.60000109.7T48 M51 D71T48-C74 HydrophobicContact CG2-CB 3.85Å; T48-C74 VanDerWaalsContact CG2-SG 3.5Å; M51-C74 HydrophobicContact CE-CB 4.03Å; M51-C74 WeakPolarHBondContact CE-O 3.15Å; D71-C74 HydrophobicContact CB-CB 4.34Å; D71-C74 PolarHBondContact OD1-N 2.88Å; D71-C74 PolarHBondContact OD2-N 3.43Å
75N92.8Very high96.3Very high96 Ų9645.4 Ų45.451%0.51323%0.232SC..  trans-126.519.6-177.469.3-5000112.1N73 H77 T82N73-N75 PolarHBondContact O-N 3.5Å; N75-H77 PolarHBondContact O-N 3.04Å; N75-T82 HydrophobicContact CB-CG2 4.39Å
76Q93.9Very high96.3Very high83 Ų8346.1 Ų46.139%0.38824%0.235SC..  trans-75.6-5.4-174.6-62.4-164.23700114K6 L42 G46K6-Q76 WeakPolarHBondContact CE-O 3.23Å; K6-Q76 PolarHBondContact NZ-O 3.49Å; L42-Q76 HydrophobicContact CD1-CB 4.23Å; L42-Q76 HydrophobicContact CD1-CG 4.49Å; L42-Q76 HydrophobicContact CD2-CB 4.31Å; G46-Q76 CarbonylContact O-C 3.59Å
77H95.6Very high96.2Very high20 Ų2044.4 Ų44.49%0.09323%0.226CC..SBendtrans-51.6144.2172-174.7-107.6000110.8Y45 G46 M47 M51 N75 H79 G80 Y81Y45-H77 CarbonylContact O-C 3.52Å; Y45-H77 WeakPolarHBondContact O-CA 3.42Å; G46-H77 WeakPolarHBondContact O-CA 3.46Å; G46-H77 PolarHBondContact O-N 3.14Å; M47-H77 WeakPolarHBondContact CG-CD2 3.04Å; M51-H77 HydrophobicContact SD-CB 4.49Å; N75-H77 PolarHBondContact O-N 3.04Å; H77-H79 PolarHBondContact ND1-N 3.12Å; H77-H79 PolarHBondContact O-N 2.78Å; H77-G80 PolarHBondContact O-N 2.63Å; H77-Y81 AromaticContact ND1-CD2 3.71Å; H77-Y81 AromaticContact ND1-CG 3.86Å
78E94.9Very high96.2Very high102 Ų10235.4 Ų35.448%0.47719%0.192SC..THydrogen-bonded Turntrans-54.1-25.4-177.861.8178176.900114.8Y45Y45-E78 PolarHBondContact O-N 3.08Å
79H95.1Very high96.2Very high86 Ų8633.3 Ų33.340%0.39818%0.183SC..THydrogen-bonded Turntrans-108.810.2176.1-58.3-36.3000113.6H77 Y81 N110 S111H77-H79 PolarHBondContact ND1-N 3.12Å; H77-H79 PolarHBondContact O-N 2.78Å; H79-Y81 HydrophobicContact CB-CD2 3.53Å; H79-Y81 HydrophobicContact CB-CE2 3.49Å; H79-Y81 VanDerWaalsContact CB-CE2 3.49Å; H79-Y81 WeakPolarHBondContact O-CD2 3.28Å; H79-Y81 PolarHBondContact O-N 3.46Å; H79-N110 WeakPolarHBondContact O-CB 3.5Å; H79-S111 PolarHBondContact O-N 2.84Å; H79-S111 PolarHBondContact O-OG 3.18Å
80G94.9Very high96.2Very high19 Ų1932.1 Ų32.120%0.19617%0.168CC..  trans70.527.8-179.900000114.4H77H77-G80 PolarHBondContact O-N 2.63Å
81Y96.6Very high96Very high42 Ų4232.5 Ų32.517%0.16517%0.173CC..  trans-77.8135.4178.3-77.6-126000110.3M51 H77 H79 M85 F86 L89 N110 M119M51-Y81 WeakPolarHBondContact CE-O 3.28Å; H77-Y81 AromaticContact ND1-CD2 3.71Å; H77-Y81 AromaticContact ND1-CG 3.86Å; H79-Y81 HydrophobicContact CB-CD2 3.53Å; H79-Y81 HydrophobicContact CB-CE2 3.49Å; H79-Y81 VanDerWaalsContact CB-CE2 3.49Å; H79-Y81 WeakPolarHBondContact O-CD2 3.28Å; H79-Y81 PolarHBondContact O-N 3.46Å; Y81-M85 HydrophobicContact CD1-CB 4.19Å; Y81-M85 HydrophobicContact CG-SD 4.33Å; Y81-F86 HydrophobicContact CD1-CD1 4.47Å; Y81-F86 HydrophobicContact CD1-CE1 4.03Å; Y81-F86 HydrophobicContact CD1-CE2 4.48Å; Y81-F86 HydrophobicContact CD1-CZ 4.05Å; Y81-F86 HydrophobicContact CG-CE2 4.41Å; Y81-F86 HydrophobicContact CG-CZ 4.14Å; Y81-L89 HydrophobicContact CD1-CD1 4.36Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; Y81-N110 HydrophobicContact CD2-CB 3.98Å; Y81-N110 HydrophobicContact CE2-CB 4Å; Y81-N110 WeakPolarHBondContact CE2-ND2 3.31Å; Y81-M119 HydrophobicContact CE1-CE 3.82Å; Y81-M119 WeakPolarHBondContact OH-CE 3.49Å
82T97.7Very high96Very high2 Ų233.8 Ų33.81%0.01217%0.174CC..  trans-98.3168.4174.768.10000111.4N75 L84 M85 F86 V108N75-T82 HydrophobicContact CB-CG2 4.39Å; T82-L84 PolarHBondContact O-N 2.81Å; T82-M85 HydrophobicContact CG2-CE 4.46Å; T82-M85 PolarHBondContact O-N 3.4Å; T82-M85 VanDerWaalsContact O-N 3.15Å; T82-M85 PolarHBondContact OG1-N 2.86Å; T82-F86 VanDerWaalsContact O-CD2 3.31Å; T82-F86 WeakPolarHBondContact O-CD2 3.47Å; T82-F86 PolarHBondContact O-N 2.93Å; T82-V108 HydrophobicContact CG2-CB 4.38Å; T82-V108 HydrophobicContact CG2-CG1 3.78Å
83A97.8Very high95.8Very high1 Ų136.1 Ų36.11%0.00819%0.189CC..Hα-helixtrans-58.7-35.317500000112.4L50 M51 V72 F86 A87 M99L50-A83 HydrophobicContact CD2-CB 3.96Å; L50-A83 HydrophobicContact CG-CB 4.06Å; M51-A83 HydrophobicContact CG-CB 4.4Å; V72-A83 HydrophobicContact CG2-CB 4.31Å; A83-F86 PolarHBondContact O-N 3.44Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 3.44Å; A83-M99 HydrophobicContact CB-CG 4.46Å; A83-M99 HydrophobicContact CB-SD 3.73Å
84L98.3Very high95.7Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-67-37176.6-175.264.7000112.6T82 A87 G88 T96 M99 L100 A104 T106 A116 I132T82-L84 PolarHBondContact O-N 2.81Å; L84-A87 PolarHBondContact O-N 3.42Å; L84-G88 PolarHBondContact O-N 2.88Å; L84-T96 HydrophobicContact CD1-CG2 4.01Å; L84-M99 HydrophobicContact CB-CB 4.32Å; L84-M99 HydrophobicContact CD1-CB 3.82Å; L84-L100 HydrophobicContact CD1-CD1 4.42Å; L84-L100 HydrophobicContact CD1-CD2 3.99Å; L84-L100 HydrophobicContact CD1-CG 3.83Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å; L84-A104 HydrophobicContact CB-CB 3.9Å; L84-A104 HydrophobicContact CD1-CB 4.42Å; L84-A104 HydrophobicContact CD2-CB 3.97Å; L84-A104 HydrophobicContact CG-CB 4.31Å; L84-T106 HydrophobicContact CD2-CG2 4.11Å; L84-A116 HydrophobicContact CB-CB 4.21Å; L84-A116 HydrophobicContact CD2-CB 3.83Å; L84-A116 HydrophobicContact CG-CB 3.61Å; L84-I132 HydrophobicContact CD1-CD1 4.43Å; L84-I132 HydrophobicContact CD1-CG1 4.3Å
85M97.9Very high95.9Very high1 Ų137.6 Ų37.61%0.00520%0.196CC..Hα-helixtrans-63.6-44.7175.2-66.7176-174.900111.2Y81 T82 G88 L89 V108 N110 A116Y81-M85 HydrophobicContact CD1-CB 4.19Å; Y81-M85 HydrophobicContact CG-SD 4.33Å; T82-M85 HydrophobicContact CG2-CE 4.46Å; T82-M85 PolarHBondContact O-N 3.4Å; T82-M85 VanDerWaalsContact O-N 3.15Å; T82-M85 PolarHBondContact OG1-N 2.86Å; M85-G88 PolarHBondContact O-N 3.41Å; M85-L89 WeakPolarHBondContact O-CG 3.47Å; M85-L89 PolarHBondContact O-N 3.46Å; M85-V108 HydrophobicContact CE-CG1 4.27Å; M85-V108 WeakPolarHBondContact CE-O 3.27Å; M85-N110 HydrophobicContact CE-CB 4.07Å; M85-N110 HydrophobicContact SD-CB 3.85Å; M85-A116 HydrophobicContact CB-CB 4.44Å; M85-A116 HydrophobicContact CG-CB 3.82Å
86F97.8Very high96.1Very high14 Ų1433 Ų336%0.06117%0.172CC..Hα-helixtrans-65.5-38175.4-73.5-62.6000112.8M47 M51 A54 Y55 Y81 T82 A83 G88 L89 S90M47-F86 HydrophobicContact CG-CE2 4.43Å; M47-F86 HydrophobicContact CG-CZ 4.36Å; M47-F86 HydrophobicContact SD-CE1 4.32Å; M47-F86 HydrophobicContact SD-CE2 4.06Å; M47-F86 HydrophobicContact SD-CZ 3.71Å; M51-F86 HydrophobicContact CB-CD2 3.68Å; M51-F86 HydrophobicContact CB-CE2 3.86Å; M51-F86 HydrophobicContact CG-CD2 3.82Å; M51-F86 HydrophobicContact CG-CE2 3.98Å; M51-F86 HydrophobicContact SD-CD2 4.4Å; M51-F86 HydrophobicContact SD-CE2 3.99Å; A54-F86 HydrophobicContact CB-CB 4.19Å; Y55-F86 AromaticContact CD2-CD1 3.79Å; Y55-F86 HydrophobicContact CD2-CD1 3.79Å; Y55-F86 HydrophobicContact CD2-CE1 4.42Å; Y55-F86 HydrophobicContact CG-CD1 4.03Å; Y81-F86 HydrophobicContact CD1-CD1 4.47Å; Y81-F86 HydrophobicContact CD1-CE1 4.03Å; Y81-F86 HydrophobicContact CD1-CE2 4.48Å; Y81-F86 HydrophobicContact CD1-CZ 4.05Å; Y81-F86 HydrophobicContact CG-CE2 4.41Å; Y81-F86 HydrophobicContact CG-CZ 4.14Å; T82-F86 VanDerWaalsContact O-CD2 3.31Å; T82-F86 WeakPolarHBondContact O-CD2 3.47Å; T82-F86 PolarHBondContact O-N 2.93Å; A83-F86 PolarHBondContact O-N 3.44Å; F86-G88 VanDerWaalsContact C-N 3.34Å; F86-G88 PolarHBondContact O-N 3.18Å; F86-L89 HydrophobicContact CD1-CD1 4.28Å; F86-L89 PolarHBondContact O-N 3.06Å; F86-S90 PolarHBondContact O-N 3.37Å
87A97.4Very high96.2Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-60.3-44172.700000111.6A54 A83 L84 L89 S90 I95 M99A54-A87 HydrophobicContact CB-CB 4.41Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 3.44Å; L84-A87 PolarHBondContact O-N 3.42Å; A87-L89 PolarHBondContact O-N 2.91Å; A87-S90 PolarHBondContact O-N 3.4Å; A87-S90 PolarHBondContact O-OG 3.35Å; A87-I95 HydrophobicContact CB-CB 4.43Å; A87-I95 HydrophobicContact CB-CG2 3.72Å; A87-M99 HydrophobicContact CB-CG 3.97Å
88G96.1Very high96.2Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-59.3-43.5174.300000113.1L84 M85 F86 G91L84-G88 PolarHBondContact O-N 2.88Å; M85-G88 PolarHBondContact O-N 3.41Å; F86-G88 VanDerWaalsContact C-N 3.34Å; F86-G88 PolarHBondContact O-N 3.18Å; G88-G91 PolarHBondContact O-N 3.21Å
89L95.7Very high96.4Very high38 Ų3829.7 Ų29.720%0.19915%0.152CC..Hα-helixtrans-65.2-35.9176.6-71.8175.6000113.4Y81 M85 F86 A87 G91 M119 V123Y81-L89 HydrophobicContact CD1-CD1 4.36Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; M85-L89 WeakPolarHBondContact O-CG 3.47Å; M85-L89 PolarHBondContact O-N 3.46Å; F86-L89 HydrophobicContact CD1-CD1 4.28Å; F86-L89 PolarHBondContact O-N 3.06Å; A87-L89 PolarHBondContact O-N 2.91Å; L89-G91 PolarHBondContact O-N 2.96Å; L89-M119 HydrophobicContact CD1-CE 4.32Å; L89-M119 HydrophobicContact CD2-CB 4.38Å; L89-M119 HydrophobicContact CD2-CE 3.89Å; L89-M119 HydrophobicContact CG-CE 4.45Å; L89-V123 HydrophobicContact CD2-CG1 3.81Å; L89-V123 HydrophobicContact CD2-CG2 3.89Å
90S94.9Very high96.5Very high24 Ų2425.8 Ų25.817%0.16813%0.134CC..Hα-helixtrans-67-17.6-179.877.70000113.9A54 F86 A87 K92A54-S90 VanDerWaalsContact O-CB 3.3Å; A54-S90 WeakPolarHBondContact O-CB 3.38Å; F86-S90 PolarHBondContact O-N 3.37Å; A87-S90 PolarHBondContact O-N 3.4Å; A87-S90 PolarHBondContact O-OG 3.35Å; S90-K92 PolarHBondContact O-N 3.46Å; S90-K92 WeakPolarHBondContact OG-CB 3.42Å; S90-K92 WeakPolarHBondContact OG-CG 3.47Å; S90-K92 PolarHBondContact OG-N 3.41Å
91G93.3Very high96.4Very high19 Ų1928.9 Ų28.920%0.19615%0.146CC..THydrogen-bonded Turntrans70.58.9-173.600000114.7G88 L89 T93G88-G91 PolarHBondContact O-N 3.21Å; L89-G91 PolarHBondContact O-N 2.96Å; G91-T93 PolarHBondContact O-N 3.16Å
92K95.1Very high96.4Very high103 Ų10329.1 Ų29.145%0.44816%0.157SC..  trans-92103-177.8-57.6-53.1178.9-1730110.7S90 D94 I95 T96S90-K92 PolarHBondContact O-N 3.46Å; S90-K92 WeakPolarHBondContact OG-CB 3.42Å; S90-K92 WeakPolarHBondContact OG-CG 3.47Å; S90-K92 PolarHBondContact OG-N 3.41Å; K92-D94 VanDerWaalsContact C-N 3.32Å; K92-D94 WeakPolarHBondContact CB-OD1 3.21Å; K92-D94 PolarHBondContact O-N 2.99Å; K92-I95 HydrophobicContact CB-CB 4.1Å; K92-I95 HydrophobicContact CB-CD1 3.82Å; K92-I95 HydrophobicContact CB-CG1 3.94Å; K92-I95 HydrophobicContact CG-CD1 4.17Å; K92-I95 PolarHBondContact O-N 3.44Å; K92-T96 PolarHBondContact O-N 3.01Å; K92-T96 PolarHBondContact O-OG1 3.03Å
93T94.2Very high96.3Very high58 Ų5831 Ų3136%0.35618%0.177SC..Hα-helixtrans-66.4-32.5-177.150.50000113.1G91 T96 W97 D127 V131G91-T93 PolarHBondContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.48Å; T93-W97 WeakPolarHBondContact O-CB 3.34Å; T93-W97 PolarHBondContact O-N 2.94Å; T93-D127 HydrophobicContact CG2-CB 3.64Å; T93-V131 HydrophobicContact CG2-CG2 4.24Å
94D95.8Very high96.2Very high81 Ų8131.5 Ų31.543%0.43318%0.181SC..Hα-helixtrans-64.4-44.2174.960.6-27.3000112A59 K92 W97 M98A59-D94 VanDerWaalsContact CB-OD2 3.29Å; A59-D94 WeakPolarHBondContact CB-OD2 3.25Å; K92-D94 VanDerWaalsContact C-N 3.32Å; K92-D94 WeakPolarHBondContact CB-OD1 3.21Å; K92-D94 PolarHBondContact O-N 2.99Å; D94-W97 PolarHBondContact O-N 3.39Å; D94-M98 WeakPolarHBondContact O-CB 3.45Å; D94-M98 PolarHBondContact O-N 3.42Å
95I97.9Very high96Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-67-44.3174.6-60.9-179.2000110.4A54 G57 A59 A87 K92 W97 M98 M99A54-I95 HydrophobicContact CB-CG2 4.02Å; G57-I95 VanDerWaalsContact CA-CD1 3.43Å; A59-I95 HydrophobicContact CB-CD1 4.31Å; A59-I95 HydrophobicContact CB-CG1 3.89Å; A87-I95 HydrophobicContact CB-CB 4.43Å; A87-I95 HydrophobicContact CB-CG2 3.72Å; K92-I95 HydrophobicContact CB-CB 4.1Å; K92-I95 HydrophobicContact CB-CD1 3.82Å; K92-I95 HydrophobicContact CB-CG1 3.94Å; K92-I95 HydrophobicContact CG-CD1 4.17Å; K92-I95 PolarHBondContact O-N 3.44Å; I95-W97 VanDerWaalsContact C-N 3.3Å; I95-W97 PolarHBondContact O-N 2.94Å; I95-M98 WeakPolarHBondContact O-CB 3.22Å; I95-M98 PolarHBondContact O-N 3.13Å; I95-M99 HydrophobicContact CG2-CE 3.86Å; I95-M99 WeakPolarHBondContact O-CG 3.31Å; I95-M99 PolarHBondContact O-N 3.17Å
96T97.5Very high95.8Very high0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-56.4-47.4176.7-58.30000110.7L84 K92 T93 M98 M99 L100 C128 V131 I132L84-T96 HydrophobicContact CD1-CG2 4.01Å; K92-T96 PolarHBondContact O-N 3.01Å; K92-T96 PolarHBondContact O-OG1 3.03Å; T93-T96 PolarHBondContact O-N 3.48Å; T96-M98 VanDerWaalsContact C-N 3.33Å; T96-M98 PolarHBondContact O-N 2.99Å; T96-M99 PolarHBondContact O-N 2.86Å; T96-L100 HydrophobicContact CG2-CD1 4.14Å; T96-L100 WeakPolarHBondContact O-CD1 3.22Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.16Å; T96-C128 HydrophobicContact CG2-CB 4.45Å; T96-C128 PolarHBondContact OG1-SG 3.28Å; T96-V131 HydrophobicContact CG2-CB 4.42Å; T96-V131 HydrophobicContact CG2-CG1 4.03Å; T96-I132 HydrophobicContact CG2-CD1 3.91Å; T96-I132 HydrophobicContact CG2-CG1 3.5Å
97W95.7Very high95.6Very high103 Ų10344.3 Ų44.339%0.3925%0.249SC..Hα-helixtrans-60.1-42.5174.5-175.789.7000112T93 D94 I95 M99 L100 D101 V131T93-W97 WeakPolarHBondContact O-CB 3.34Å; T93-W97 PolarHBondContact O-N 2.94Å; D94-W97 PolarHBondContact O-N 3.39Å; I95-W97 VanDerWaalsContact C-N 3.3Å; I95-W97 PolarHBondContact O-N 2.94Å; W97-M99 PolarHBondContact O-N 3.5Å; W97-L100 PolarHBondContact O-N 2.66Å; W97-D101 HydrophobicContact CE3-CB 4.2Å; W97-D101 HydrophobicContact CH2-CB 3.92Å; W97-D101 HydrophobicContact CZ2-CB 4.28Å; W97-D101 HydrophobicContact CZ3-CB 3.88Å; W97-D101 WeakPolarHBondContact O-CB 3.42Å; W97-D101 PolarHBondContact O-N 3.24Å; W97-V131 HydrophobicContact CB-CG1 4.33Å
98M96.5Very high95.4Very high33 Ų3345.8 Ų45.816%0.16326%0.258CS..Hα-helixtrans-64-38.6-179.7-153.7-174.6-51.700112.6A59 C62 K63 L66 D94 I95 T96 D101 A102A59-M98 HydrophobicContact CB-CE 4.33Å; A59-M98 WeakPolarHBondContact O-CE 3.48Å; C62-M98 HydrophobicContact CB-SD 3.99Å; K63-M98 WeakPolarHBondContact CA-SD 3.38Å; K63-M98 HydrophobicContact CB-CE 4.19Å; K63-M98 HydrophobicContact CB-SD 3.63Å; K63-M98 HydrophobicContact CG-SD 4.28Å; K63-M98 PolarHBondContact N-SD 3.41Å; K63-M98 VanDerWaalsContact N-SD 3.42Å; L66-M98 HydrophobicContact CD1-CG 3.74Å; L66-M98 HydrophobicContact CD1-SD 3.96Å; D94-M98 WeakPolarHBondContact O-CB 3.45Å; D94-M98 PolarHBondContact O-N 3.42Å; I95-M98 WeakPolarHBondContact O-CB 3.22Å; I95-M98 PolarHBondContact O-N 3.13Å; T96-M98 VanDerWaalsContact C-N 3.33Å; T96-M98 PolarHBondContact O-N 2.99Å; M98-D101 PolarHBondContact O-N 2.78Å; M98-A102 WeakPolarHBondContact O-CB 3.43Å; M98-A102 PolarHBondContact O-N 2.82Å
99M97.8Very high95.4Very high0 Ų049.4 Ų49.40%028%0.28CS..Hα-helixtrans-63.5-45173.7-62.7-50.1116.200110.9L50 C62 L66 V72 A83 L84 A87 I95 T96 W97 D101 A102 G103 A104L50-M99 HydrophobicContact CD1-CE 3.91Å; L50-M99 HydrophobicContact CD1-SD 4.23Å; L50-M99 HydrophobicContact CD2-SD 4.1Å; L50-M99 HydrophobicContact CG-SD 4.23Å; C62-M99 HydrophobicContact CB-CE 3.79Å; L66-M99 HydrophobicContact CD1-CE 3.94Å; V72-M99 HydrophobicContact CG2-CB 4Å; V72-M99 HydrophobicContact CG2-CG 4.4Å; V72-M99 HydrophobicContact CG2-SD 3.75Å; A83-M99 HydrophobicContact CB-CG 4.46Å; A83-M99 HydrophobicContact CB-SD 3.73Å; L84-M99 HydrophobicContact CB-CB 4.32Å; L84-M99 HydrophobicContact CD1-CB 3.82Å; A87-M99 HydrophobicContact CB-CG 3.97Å; I95-M99 HydrophobicContact CG2-CE 3.86Å; I95-M99 WeakPolarHBondContact O-CG 3.31Å; I95-M99 PolarHBondContact O-N 3.17Å; T96-M99 PolarHBondContact O-N 2.86Å; W97-M99 PolarHBondContact O-N 3.5Å; M99-D101 PolarHBondContact O-N 2.87Å; M99-A102 CarbonylContact O-C 3.53Å; M99-A102 PolarHBondContact O-N 3.4Å; M99-G103 PolarHBondContact O-N 3.08Å; M99-A104 HydrophobicContact CB-CB 4.01Å; M99-A104 WeakPolarHBondContact O-CB 3.25Å; M99-A104 PolarHBondContact O-N 3.44Å
100L96.8Very high95.4Very high3 Ų348 Ų482%0.01627%0.273CS..Hα-helixtrans-65.6-37.4178.6-65.3161.9000112.4L84 T96 W97 A102 G103 T106 V131 I132 Y135L84-L100 HydrophobicContact CD1-CD1 4.42Å; L84-L100 HydrophobicContact CD1-CD2 3.99Å; L84-L100 HydrophobicContact CD1-CG 3.83Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å; T96-L100 HydrophobicContact CG2-CD1 4.14Å; T96-L100 WeakPolarHBondContact O-CD1 3.22Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.16Å; W97-L100 PolarHBondContact O-N 2.66Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-G103 PolarHBondContact O-N 3.35Å; L100-G103 VanDerWaalsContact O-N 3.11Å; L100-T106 HydrophobicContact CD2-CG2 3.47Å; L100-T106 VanDerWaalsContact CD2-CG2 3.47Å; L100-V131 HydrophobicContact CD1-CG1 3.88Å; L100-I132 HydrophobicContact CD1-CG1 4.22Å; L100-Y135 VanDerWaalsContact C-CZ 3.47Å; L100-Y135 VanDerWaalsContact C-OH 3.3Å; L100-Y135 HydrophobicContact CB-CD1 3.82Å; L100-Y135 HydrophobicContact CB-CD2 3.6Å; L100-Y135 HydrophobicContact CB-CE1 3.74Å; L100-Y135 HydrophobicContact CB-CE2 3.58Å; L100-Y135 HydrophobicContact CB-CG 3.75Å; L100-Y135 HydrophobicContact CD1-CD2 3.87Å; L100-Y135 HydrophobicContact CD1-CG 3.86Å; L100-Y135 HydrophobicContact CD2-CD1 4.19Å; L100-Y135 HydrophobicContact CD2-CG 4.26Å; L100-Y135 HydrophobicContact CG-CD1 4.41Å; L100-Y135 HydrophobicContact CG-CD2 4.29Å; L100-Y135 HydrophobicContact CG-CG 4.17Å; L100-Y135 WeakPolarHBondContact O-CE1 3.49Å; L100-Y135 PolarHBondContact O-OH 2.82Å
101D94.6Very high95.5Very high84 Ų8450.8 Ų50.845%0.44929%0.292SS..Hα-helixtrans-67.4-33.3174.3-163.257.1000112.1W97 M98 M99 G103 Y135W97-D101 HydrophobicContact CE3-CB 4.2Å; W97-D101 HydrophobicContact CH2-CB 3.92Å; W97-D101 HydrophobicContact CZ2-CB 4.28Å; W97-D101 HydrophobicContact CZ3-CB 3.88Å; W97-D101 WeakPolarHBondContact O-CB 3.42Å; W97-D101 PolarHBondContact O-N 3.24Å; M98-D101 PolarHBondContact O-N 2.78Å; M99-D101 PolarHBondContact O-N 2.87Å; D101-G103 PolarHBondContact O-N 2.96Å; D101-Y135 WeakPolarHBondContact CA-OH 3.27Å; D101-Y135 PolarHBondContact N-OH 2.64Å
102A95.6Very high95.5Very high48 Ų4854.3 Ų54.340%0.39731%0.31SS..THydrogen-bonded Turntrans-73.6-2.717100000114.3L66 V72 M98 M99 L100L66-A102 HydrophobicContact CD1-CB 4.02Å; L66-A102 HydrophobicContact CD2-CB 3.6Å; L66-A102 HydrophobicContact CG-CB 4.39Å; V72-A102 HydrophobicContact CB-CB 4.24Å; V72-A102 HydrophobicContact CG1-CB 4.33Å; V72-A102 HydrophobicContact CG2-CB 4.23Å; M98-A102 WeakPolarHBondContact O-CB 3.43Å; M98-A102 PolarHBondContact O-N 2.82Å; M99-A102 CarbonylContact O-C 3.53Å; M99-A102 PolarHBondContact O-N 3.4Å; L100-A102 VanDerWaalsContact C-N 3.32Å
103G95.1Very high95.5Very high42 Ų4251.6 Ų51.643%0.43331%0.311SS..THydrogen-bonded Turntrans91.827.1177.900000114.6N73 M99 L100 D101 E105N73-G103 PolarHBondContact ND2-O 3.19Å; M99-G103 PolarHBondContact O-N 3.08Å; L100-G103 PolarHBondContact O-N 3.35Å; L100-G103 VanDerWaalsContact O-N 3.11Å; D101-G103 PolarHBondContact O-N 2.96Å; G103-E105 PolarHBondContact O-N 2.91Å
104A96.8Very high95.6Very high11 Ų1155 Ų559%0.09132%0.317CS..  trans-58.4131.6172.700000112.1V72 N73 L84 M99V72-A104 HydrophobicContact CG1-CB 4.42Å; V72-A104 HydrophobicContact CG2-CB 3.81Å; N73-A104 VanDerWaalsContact OD1-CA 3.28Å; N73-A104 WeakPolarHBondContact OD1-CA 3.17Å; L84-A104 HydrophobicContact CB-CB 3.9Å; L84-A104 HydrophobicContact CD1-CB 4.42Å; L84-A104 HydrophobicContact CD2-CB 3.97Å; L84-A104 HydrophobicContact CG-CB 4.31Å; M99-A104 HydrophobicContact CB-CB 4.01Å; M99-A104 WeakPolarHBondContact O-CB 3.25Å; M99-A104 PolarHBondContact O-N 3.44Å
105E94.6Very high95.6Very high104 Ų10452.4 Ų52.449%0.48631%0.305SS..  trans-75.3131.2173.7-67.9172-162.800110.3N73 G103 V108N73-E105 PolarHBondContact OD1-N 3.25Å; G103-E105 PolarHBondContact O-N 2.91Å; E105-V108 HydrophobicContact CB-CG2 3.56Å; E105-V108 HydrophobicContact CG-CG2 4.49Å; E105-V108 VanDerWaalsContact OE2-CG2 3.23Å; E105-V108 WeakPolarHBondContact OE2-CG2 3.44Å
106T93.6Very high95.5Very high61 Ų6152.5 Ų52.537%0.37431%0.305SS..SBendtrans-92.9-18.5-173.253.90000113.9L84 L100 I132L84-T106 HydrophobicContact CD2-CG2 4.11Å; L100-T106 HydrophobicContact CD2-CG2 3.47Å; L100-T106 VanDerWaalsContact CD2-CG2 3.47Å; T106-I132 HydrophobicContact CG2-CG2 3.96Å
107D92.5Very high95.4Very high118 Ų11853 Ų5363%0.63131%0.309SS*.SBendtrans-96.8-11-17558.1-23.1000113.5T109D107-T109 PolarHBondContact O-N 3.47Å
108V94.6Very high95.3Very high31 Ų3151.9 Ų51.919%0.18831%0.308CS..  trans-57.4130.8173.4178.70000110.3T82 M85 E105T82-V108 HydrophobicContact CG2-CB 4.38Å; T82-V108 HydrophobicContact CG2-CG1 3.78Å; M85-V108 HydrophobicContact CE-CG1 4.27Å; M85-V108 WeakPolarHBondContact CE-O 3.27Å; E105-V108 HydrophobicContact CB-CG2 3.56Å; E105-V108 HydrophobicContact CG-CG2 4.49Å; E105-V108 VanDerWaalsContact OE2-CG2 3.23Å; E105-V108 WeakPolarHBondContact OE2-CG2 3.44Å
109T96.1Very high95.2Very high77 Ų7751.1 Ų51.147%0.47230%0.304SS..  trans-108.9141.4177.457.50000111.8D107 R114 T115D107-T109 PolarHBondContact O-N 3.47Å; T109-R114 WeakPolarHBondContact CA-O 3.45Å; T109-T115 HydrophobicContact CG2-CG2 3.94Å
110N95.2Very high95.1Very high8 Ų851.1 Ų51.14%0.04330%0.304CS..  trans-77.1-175.3172.167.36.3000112.1H79 Y81 M85 V112 G113 R114 M119H79-N110 WeakPolarHBondContact O-CB 3.5Å; Y81-N110 HydrophobicContact CD2-CB 3.98Å; Y81-N110 HydrophobicContact CE2-CB 4Å; Y81-N110 WeakPolarHBondContact CE2-ND2 3.31Å; M85-N110 HydrophobicContact CE-CB 4.07Å; M85-N110 HydrophobicContact SD-CB 3.85Å; N110-V112 WeakPolarHBondContact ND2-CG2 3.31Å; N110-V112 PolarHBondContact O-N 3.49Å; N110-V112 VanDerWaalsContact O-N 3.09Å; N110-V112 WeakPolarHBondContact OD1-CG2 3.38Å; N110-V112 PolarHBondContact OD1-N 3.01Å; N110-V112 VanDerWaalsContact OD1-N 3.16Å; N110-G113 PolarHBondContact O-N 2.84Å; N110-G113 PolarHBondContact OD1-N 3.29Å; N110-R114 PolarHBondContact N-O 2.97Å; N110-R114 PolarHBondContact OD1-N 2.7Å; N110-R114 PolarHBondContact OD1-O 3.46Å; N110-M119 PolarHBondContact ND2-SD 3.42Å
111S95.8Very high94.8Very high82 Ų8253.2 Ų53.257%0.57332%0.322SS*.THydrogen-bonded Turntrans-59.8-20.1-179.760.70000115H79H79-S111 PolarHBondContact O-N 2.84Å; H79-S111 PolarHBondContact O-OG 3.18Å
112V93.9Very high94.6Very high94 Ų9457.6 Ų57.657%0.5734%0.338SS*.THydrogen-bonded Turntrans-98.512176.1-61.90000112.8N110 R114N110-V112 WeakPolarHBondContact ND2-CG2 3.31Å; N110-V112 PolarHBondContact O-N 3.49Å; N110-V112 VanDerWaalsContact O-N 3.09Å; N110-V112 WeakPolarHBondContact OD1-CG2 3.38Å; N110-V112 PolarHBondContact OD1-N 3.01Å; N110-V112 VanDerWaalsContact OD1-N 3.16Å; V112-R114 HydrophobicContact CG2-CB 4.24Å; V112-R114 HydrophobicContact CG2-CG 3.82Å; V112-R114 PolarHBondContact O-N 2.66Å
113G95.4Very high94.4Very high45 Ų4558.4 Ų58.446%0.46434%0.337SS..SBendtrans71.526.717700000113.9N110N110-G113 PolarHBondContact O-N 2.84Å; N110-G113 PolarHBondContact OD1-N 3.29Å
114R95.9Very high94.2Very high130 Ų13058.2 Ų58.249%0.49134%0.336SS..  trans-109.7135.8-177.5-60.9-65.8172.4173.4-2.9112.4T109 N110 V112 Q118 M119T109-R114 WeakPolarHBondContact CA-O 3.45Å; N110-R114 PolarHBondContact N-O 2.97Å; N110-R114 PolarHBondContact OD1-N 2.7Å; N110-R114 PolarHBondContact OD1-O 3.46Å; V112-R114 HydrophobicContact CG2-CB 4.24Å; V112-R114 HydrophobicContact CG2-CG 3.82Å; V112-R114 PolarHBondContact O-N 2.66Å; R114-Q118 VanDerWaalsContact CA-OE1 3.31Å; R114-Q118 HydrophobicContact CB-CB 4.35Å; R114-M119 HydrophobicContact CB-CG 4.2Å; R114-M119 HydrophobicContact CB-SD 3.81Å; R114-M119 HydrophobicContact CG-SD 4.42Å
115T96.3Very high94Very high27 Ų2761 Ų6117%0.16635%0.347CS..  trans-81.9166.9172.768.60000111.7T109 A117 Q118 M119T109-T115 HydrophobicContact CG2-CG2 3.94Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 3.4Å; T115-Q118 VanDerWaalsContact N-OE1 3.13Å; T115-Q118 PolarHBondContact O-N 2.96Å; T115-Q118 VanDerWaalsContact O-N 3.1Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.48Å; T115-Q118 PolarHBondContact OG1-N 3.04Å; T115-M119 WeakPolarHBondContact O-CG 3.46Å; T115-M119 PolarHBondContact O-N 3.22Å
116A96.4Very high93.7Very high2 Ų259 Ų592%0.01734%0.337CS..Hα-helixtrans-57.9-39.7177.100000113.5L84 M85 M119 A120 I132L84-A116 HydrophobicContact CB-CB 4.21Å; L84-A116 HydrophobicContact CD2-CB 3.83Å; L84-A116 HydrophobicContact CG-CB 3.61Å; M85-A116 HydrophobicContact CB-CB 4.44Å; M85-A116 HydrophobicContact CG-CB 3.82Å; A116-M119 PolarHBondContact O-N 2.99Å; A116-A120 PolarHBondContact O-N 3.38Å; A116-I132 HydrophobicContact CB-CD1 4.11Å
117A94.4Very high93.5Very high9 Ų959.8 Ų59.87%0.07434%0.339CS..Hα-helixtrans-64.2-40.2175.700000111.7T115 A120 A121 V129 I132T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 3.4Å; A117-A120 PolarHBondContact O-N 2.97Å; A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 2.72Å; A117-V129 WeakPolarHBondContact O-CG2 3.2Å; A117-I132 HydrophobicContact CB-CB 4.29Å; A117-I132 HydrophobicContact CB-CD1 4.39Å; A117-I132 HydrophobicContact CB-CG2 3.91Å
118Q93.8Very high93.5Very high80 Ų8054.2 Ų54.237%0.37431%0.31SS..Hα-helixtrans-68.9-37.2177.6-68172.2-13.300112.1R114 T115 A121 F122R114-Q118 VanDerWaalsContact CA-OE1 3.31Å; R114-Q118 HydrophobicContact CB-CB 4.35Å; T115-Q118 VanDerWaalsContact N-OE1 3.13Å; T115-Q118 PolarHBondContact O-N 2.96Å; T115-Q118 VanDerWaalsContact O-N 3.1Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.48Å; T115-Q118 PolarHBondContact OG1-N 3.04Å; Q118-A121 PolarHBondContact O-N 2.62Å; Q118-F122 WeakPolarHBondContact O-CB 3.33Å; Q118-F122 PolarHBondContact O-N 3.38Å
119M94.9Very high93.4Very high17 Ų1753.6 Ų53.68%0.08431%0.306CS..Hα-helixtrans-62.2-47.1172.7-68.9-59-53.300111.4Y81 L89 N110 R114 T115 A116 A121 F122 V123Y81-M119 HydrophobicContact CE1-CE 3.82Å; Y81-M119 WeakPolarHBondContact OH-CE 3.49Å; L89-M119 HydrophobicContact CD1-CE 4.32Å; L89-M119 HydrophobicContact CD2-CB 4.38Å; L89-M119 HydrophobicContact CD2-CE 3.89Å; L89-M119 HydrophobicContact CG-CE 4.45Å; N110-M119 PolarHBondContact ND2-SD 3.42Å; R114-M119 HydrophobicContact CB-CG 4.2Å; R114-M119 HydrophobicContact CB-SD 3.81Å; R114-M119 HydrophobicContact CG-SD 4.42Å; T115-M119 WeakPolarHBondContact O-CG 3.46Å; T115-M119 PolarHBondContact O-N 3.22Å; A116-M119 PolarHBondContact O-N 2.99Å; M119-A121 VanDerWaalsContact C-N 3.31Å; M119-A121 PolarHBondContact O-N 2.97Å; M119-F122 WeakPolarHBondContact O-CB 3.29Å; M119-F122 PolarHBondContact O-N 3.47Å; M119-V123 WeakPolarHBondContact O-CG2 3.35Å; M119-V123 PolarHBondContact O-N 2.65Å
120A94.3Very high93.1Very high0 Ų050.6 Ų50.60%029%0.288CS..Hα-helixtrans-60.7-40.5175.700000112A116 A117 V123 G124 Q125 C128 V129A116-A120 PolarHBondContact O-N 3.38Å; A117-A120 PolarHBondContact O-N 2.97Å; A120-V123 WeakPolarHBondContact O-CG2 3.38Å; A120-V123 PolarHBondContact O-N 3.16Å; A120-G124 PolarHBondContact O-N 3.06Å; A120-Q125 HydrophobicContact CB-CB 4.25Å; A120-Q125 WeakPolarHBondContact O-CA 3.45Å; A120-Q125 WeakPolarHBondContact O-CB 3.21Å; A120-Q125 PolarHBondContact O-N 3.45Å; A120-C128 HydrophobicContact CB-CB 4.08Å; A120-V129 HydrophobicContact CB-CG2 3.73Å
121A91.5Very high93Very high47 Ų4751.4 Ų51.439%0.38829%0.293SS..Hα-helixtrans-64.2-39.7176.300000112.4A117 Q118 M119 V123 G124 V129A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 2.72Å; Q118-A121 PolarHBondContact O-N 2.62Å; M119-A121 VanDerWaalsContact C-N 3.31Å; M119-A121 PolarHBondContact O-N 2.97Å; A121-V123 VanDerWaalsContact C-N 3.27Å; A121-V123 PolarHBondContact O-N 3.26Å; A121-G124 PolarHBondContact O-N 2.95Å; A121-V129 HydrophobicContact CB-CG2 3.83Å
122F90.6Very high92.8Very high177 Ų17747.9 Ų47.978%0.77627%0.267SS*.Hα-helixtrans-59.8-36.3179.6179.6-101.5000112.8Q118 M119Q118-F122 WeakPolarHBondContact O-CB 3.33Å; Q118-F122 PolarHBondContact O-N 3.38Å; M119-F122 WeakPolarHBondContact O-CB 3.29Å; M119-F122 PolarHBondContact O-N 3.47Å
123V91.7Very high92.6Very high64 Ų6447.1 Ų47.139%0.38826%0.26SS..THydrogen-bonded Turntrans-94.111.7176.3-65.10000113.6L89 M119 A120 A121 Q125L89-V123 HydrophobicContact CD2-CG1 3.81Å; L89-V123 HydrophobicContact CD2-CG2 3.89Å; M119-V123 WeakPolarHBondContact O-CG2 3.35Å; M119-V123 PolarHBondContact O-N 2.65Å; A120-V123 WeakPolarHBondContact O-CG2 3.38Å; A120-V123 PolarHBondContact O-N 3.16Å; A121-V123 VanDerWaalsContact C-N 3.27Å; A121-V123 PolarHBondContact O-N 3.26Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 HydrophobicContact CB-CG 4.48Å; V123-Q125 HydrophobicContact CG2-CB 4.28Å; V123-Q125 HydrophobicContact CG2-CG 3.59Å; V123-Q125 PolarHBondContact O-N 3.23Å
124G89.8Confident92.2Very high39 Ų3945.1 Ų45.140%0.40224%0.239SC..THydrogen-bonded Turntrans73.914.4176.900000115.4A120 A121 H126A120-G124 PolarHBondContact O-N 3.06Å; A121-G124 PolarHBondContact O-N 2.95Å; G124-H126 PolarHBondContact O-CD2 3.13Å; G124-H126 PolarHBondContact O-N 2.99Å
125Q92.1Very high92Very high69 Ų6940.8 Ų40.832%0.32222%0.222SC..  trans-82.961.8-178.6-59.2-62.6-13.800111.6A120 V123 D127 C128 V129A120-Q125 HydrophobicContact CB-CB 4.25Å; A120-Q125 WeakPolarHBondContact O-CA 3.45Å; A120-Q125 WeakPolarHBondContact O-CB 3.21Å; A120-Q125 PolarHBondContact O-N 3.45Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 HydrophobicContact CB-CG 4.48Å; V123-Q125 HydrophobicContact CG2-CB 4.28Å; V123-Q125 HydrophobicContact CG2-CG 3.59Å; V123-Q125 PolarHBondContact O-N 3.23Å; Q125-D127 VanDerWaalsContact C-N 3.27Å; Q125-D127 PolarHBondContact O-N 2.94Å; Q125-C128 HydrophobicContact CB-CB 4.31Å; Q125-C128 WeakPolarHBondContact O-CB 3.48Å; Q125-C128 PolarHBondContact O-N 2.85Å; Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 3.47Å; Q125-V129 VanDerWaalsContact O-N 3.14Å
126H88.5Confident91.8Very high62 Ų6239.5 Ų39.529%0.28722%0.215SC..Hα-helixtrans-59.6-31.7-173-61.9-64.9000114.3G124 V129 T130 V312G124-H126 PolarHBondContact O-CD2 3.13Å; G124-H126 PolarHBondContact O-N 2.99Å; H126-V129 WeakPolarHBondContact O-CB 3.42Å; H126-V129 PolarHBondContact O-N 3.24Å; H126-T130 WeakPolarHBondContact O-CB 3.31Å; H126-T130 PolarHBondContact O-N 2.8Å; H126-T130 PolarHBondContact O-OG1 3.27Å; H126-V312 HydrophobicContact CB-CG2 4.19Å
127D89.4Confident91.7Very high78 Ų7841.4 Ų41.442%0.41723%0.228SC..Hα-helixtrans-68.2-37.6177.7-67.4-28000110.6T93 Q125 T130 V131 K326T93-D127 HydrophobicContact CG2-CB 3.64Å; Q125-D127 VanDerWaalsContact C-N 3.27Å; Q125-D127 PolarHBondContact O-N 2.94Å; D127-T130 PolarHBondContact O-N 3.24Å; D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.22Å; D127-K326 IonicContact OD1-NZ 3.42Å; D127-K326 PolarHBondContact OD1-NZ 3.38Å; D127-K326 IonicContact OD2-NZ 2.88Å; D127-K326 PolarHBondContact OD2-NZ 3Å
128C93.1Very high91.5Very high1 Ų146.4 Ų46.41%0.00725%0.245CC..Hα-helixtrans-66.1-41.9172.1-67.80000111.8T96 A120 Q125 T130 V131 I132T96-C128 HydrophobicContact CG2-CB 4.45Å; T96-C128 PolarHBondContact OG1-SG 3.28Å; A120-C128 HydrophobicContact CB-CB 4.08Å; Q125-C128 HydrophobicContact CB-CB 4.31Å; Q125-C128 WeakPolarHBondContact O-CB 3.48Å; Q125-C128 PolarHBondContact O-N 2.85Å; C128-T130 VanDerWaalsContact C-N 3.27Å; C128-T130 PolarHBondContact O-N 3.13Å; C128-V131 PolarHBondContact O-N 3.32Å; C128-I132 VanDerWaalsContact O-CG1 3.32Å; C128-I132 WeakPolarHBondContact O-CG1 3.36Å; C128-I132 PolarHBondContact O-N 2.57Å
129V92.2Very high91.5Very high17 Ų1746.1 Ų46.110%0.10326%0.256CS..Hα-helixtrans-55.8-47173.6179.60000110.4A117 A120 A121 Q125 H126 V131 I132 N133A117-V129 WeakPolarHBondContact O-CG2 3.2Å; A120-V129 HydrophobicContact CB-CG2 3.73Å; A121-V129 HydrophobicContact CB-CG2 3.83Å; Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 3.47Å; Q125-V129 VanDerWaalsContact O-N 3.14Å; H126-V129 WeakPolarHBondContact O-CB 3.42Å; H126-V129 PolarHBondContact O-N 3.24Å; V129-V131 PolarHBondContact O-N 3.27Å; V129-I132 PolarHBondContact O-N 2.86Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.41Å; V129-N133 WeakPolarHBondContact O-CB 3.22Å; V129-N133 VanDerWaalsContact O-CG 3.31Å; V129-N133 PolarHBondContact O-N 3.42Å
130T90.1Very high91.4Very high15 Ų1548.2 Ų48.29%0.09226%0.263CS..Hα-helixtrans-60.3-46.9179.1-58.60000110.6H126 D127 C128 N133 N134 T171 T309H126-T130 WeakPolarHBondContact O-CB 3.31Å; H126-T130 PolarHBondContact O-N 2.8Å; H126-T130 PolarHBondContact O-OG1 3.27Å; D127-T130 PolarHBondContact O-N 3.24Å; C128-T130 VanDerWaalsContact C-N 3.27Å; C128-T130 PolarHBondContact O-N 3.13Å; T130-N133 PolarHBondContact O-N 2.98Å; T130-N134 WeakPolarHBondContact O-CB 3.26Å; T130-N134 PolarHBondContact O-N 3.25Å; T130-N134 PolarHBondContact O-ND2 3.46Å; T130-T171 HydrophobicContact CG2-CG2 3.52Å; T130-T309 HydrophobicContact CG2-CG2 3.79Å
131V92.3Very high91.4Very high25 Ų2548.2 Ų48.215%0.15226%0.263CS..Hα-helixtrans-59.5-48.6178169.60000111.4T93 T96 W97 L100 D127 C128 V129 N134 Y135T93-V131 HydrophobicContact CG2-CG2 4.24Å; T96-V131 HydrophobicContact CG2-CB 4.42Å; T96-V131 HydrophobicContact CG2-CG1 4.03Å; W97-V131 HydrophobicContact CB-CG1 4.33Å; L100-V131 HydrophobicContact CD1-CG1 3.88Å; D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.22Å; C128-V131 PolarHBondContact O-N 3.32Å; V129-V131 PolarHBondContact O-N 3.27Å; V131-N134 PolarHBondContact O-N 3.45Å; V131-Y135 WeakPolarHBondContact O-CB 3.4Å; V131-Y135 PolarHBondContact O-N 3.47Å; V131-Y135 VanDerWaalsContact O-N 3.08Å
132I92.7Very high91.6Very high8 Ų848 Ų484%0.04126%0.255CS..Hα-helixtrans-61.4-50.4-179.5-65.4164.8000110.5L84 T96 L100 T106 A116 A117 C128 V129 N134 Y135L84-I132 HydrophobicContact CD1-CD1 4.43Å; L84-I132 HydrophobicContact CD1-CG1 4.3Å; T96-I132 HydrophobicContact CG2-CD1 3.91Å; T96-I132 HydrophobicContact CG2-CG1 3.5Å; L100-I132 HydrophobicContact CD1-CG1 4.22Å; T106-I132 HydrophobicContact CG2-CG2 3.96Å; A116-I132 HydrophobicContact CB-CD1 4.11Å; A117-I132 HydrophobicContact CB-CB 4.29Å; A117-I132 HydrophobicContact CB-CD1 4.39Å; A117-I132 HydrophobicContact CB-CG2 3.91Å; C128-I132 VanDerWaalsContact O-CG1 3.32Å; C128-I132 WeakPolarHBondContact O-CG1 3.36Å; C128-I132 PolarHBondContact O-N 2.57Å; V129-I132 PolarHBondContact O-N 2.86Å; I132-N134 VanDerWaalsContact C-N 3.31Å; I132-N134 PolarHBondContact O-N 2.93Å; I132-Y135 PolarHBondContact O-N 2.92Å
133N88.6Confident91.8Very high77 Ų7744.7 Ų44.741%0.41224%0.238SC..Hα-helixtrans-70.1-27.2-175.6-68.6-12.8000113.4V129 T130V129-N133 WeakPolarHBondContact CG1-ND2 3.41Å; V129-N133 WeakPolarHBondContact O-CB 3.22Å; V129-N133 VanDerWaalsContact O-CG 3.31Å; V129-N133 PolarHBondContact O-N 3.42Å; T130-N133 PolarHBondContact O-N 2.98Å
134N88.1Confident92Very high4 Ų442.3 Ų42.32%0.02122%0.222CC..THydrogen-bonded Turntrans-97.12.6-179.8-77.2-94.9000113.6T130 V131 I132 F136 K221 I308T130-N134 WeakPolarHBondContact O-CB 3.26Å; T130-N134 PolarHBondContact O-N 3.25Å; T130-N134 PolarHBondContact O-ND2 3.46Å; V131-N134 PolarHBondContact O-N 3.45Å; I132-N134 VanDerWaalsContact C-N 3.31Å; I132-N134 PolarHBondContact O-N 2.93Å; N134-F136 PolarHBondContact O-N 3.26Å; N134-K221 WeakPolarHBondContact OD1-CD 3.28Å; N134-K221 PolarHBondContact OD1-NZ 3.43Å; N134-I308 PolarHBondContact ND2-O 3.18Å; N134-I308 WeakPolarHBondContact OD1-CG2 3.37Å
135Y91.8Very high92.3Very high38 Ų3841.4 Ų41.415%0.14921%0.209CC..  trans-67.9128.7-175-174.5-102.1000111.8L100 D101 V131 I132 M169L100-Y135 VanDerWaalsContact C-CZ 3.47Å; L100-Y135 VanDerWaalsContact C-OH 3.3Å; L100-Y135 HydrophobicContact CB-CD1 3.82Å; L100-Y135 HydrophobicContact CB-CD2 3.6Å; L100-Y135 HydrophobicContact CB-CE1 3.74Å; L100-Y135 HydrophobicContact CB-CE2 3.58Å; L100-Y135 HydrophobicContact CB-CG 3.75Å; L100-Y135 HydrophobicContact CD1-CD2 3.87Å; L100-Y135 HydrophobicContact CD1-CG 3.86Å; L100-Y135 HydrophobicContact CD2-CD1 4.19Å; L100-Y135 HydrophobicContact CD2-CG 4.26Å; L100-Y135 HydrophobicContact CG-CD1 4.41Å; L100-Y135 HydrophobicContact CG-CD2 4.29Å; L100-Y135 HydrophobicContact CG-CG 4.17Å; L100-Y135 WeakPolarHBondContact O-CE1 3.49Å; L100-Y135 PolarHBondContact O-OH 2.82Å; D101-Y135 WeakPolarHBondContact CA-OH 3.27Å; D101-Y135 PolarHBondContact N-OH 2.64Å; V131-Y135 WeakPolarHBondContact O-CB 3.4Å; V131-Y135 PolarHBondContact O-N 3.47Å; V131-Y135 VanDerWaalsContact O-N 3.08Å; I132-Y135 PolarHBondContact O-N 2.92Å; Y135-M169 HydrophobicContact CD2-CE 3.58Å; Y135-M169 HydrophobicContact CD2-SD 4.29Å; Y135-M169 HydrophobicContact CE2-CE 4.16Å; Y135-M169 HydrophobicContact CG-CE 4.44Å
136F92.4Very high92.5Very high1 Ų144.7 Ų44.70%0.00422%0.222CC..  trans-126.6112.5173.4-168-88.4000108.3N134 R140 L141 H165 I168 M169 I204 L218 M222N134-F136 PolarHBondContact O-N 3.26Å; F136-R140 HydrophobicContact CE1-CB 3.93Å; F136-R140 HydrophobicContact CE1-CG 4.07Å; F136-R140 HydrophobicContact CE2-CG 4.13Å; F136-R140 HydrophobicContact CZ-CB 4Å; F136-R140 HydrophobicContact CZ-CG 3.6Å; F136-L141 HydrophobicContact CE1-CB 3.92Å; F136-H165 PolarHBondContact O-CD2 3.4Å; F136-H165 PolarHBondContact O-NE2 2.91Å; F136-I168 HydrophobicContact CB-CG2 3.49Å; F136-I168 VanDerWaalsContact CB-CG2 3.49Å; F136-I168 HydrophobicContact CD1-CD1 4.28Å; F136-I168 HydrophobicContact CD1-CG2 4.11Å; F136-I168 HydrophobicContact CD2-CG2 4.46Å; F136-I168 HydrophobicContact CE1-CD1 4.41Å; F136-I168 HydrophobicContact CG-CG2 3.78Å; F136-M169 HydrophobicContact CB-SD 4.13Å; F136-M169 PolarHBondContact N-SD 2.86Å; F136-I204 HydrophobicContact CE1-CD1 4.29Å; F136-I204 HydrophobicContact CE2-CD1 4.44Å; F136-I204 HydrophobicContact CE2-CG2 3.5Å; F136-I204 HydrophobicContact CZ-CD1 3.7Å; F136-I204 HydrophobicContact CZ-CG1 4.16Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; F136-L218 HydrophobicContact CD2-CD1 4.5Å; F136-L218 HydrophobicContact CD2-CD2 4.1Å; F136-M222 HydrophobicContact CD2-CE 3.69Å; F136-M222 HydrophobicContact CE2-CE 4.08Å; F136-M222 HydrophobicContact CG-CE 4.22Å
137S92.5Very high92.7Very high41 Ų4145 Ų4529%0.28723%0.23SC..  trans-64.1141.4-175.672.60000111.5A139 R140 L141S137-A139 VanDerWaalsContact C-N 3.25Å; S137-A139 PolarHBondContact O-N 3.12Å; S137-R140 WeakPolarHBondContact O-CB 3.42Å; S137-R140 PolarHBondContact O-N 3.33Å; S137-R140 VanDerWaalsContact O-N 3.1Å; S137-R140 WeakPolarHBondContact OG-CB 3.41Å; S137-R140 PolarHBondContact OG-N 3.26Å; S137-L141 PolarHBondContact O-N 3.33Å
138R92.2Very high92.6Very high115 Ų11543.9 Ų43.943%0.43422%0.222SC..Hα-helixtrans-62-37.2177.9-172.1162.4-177.8-107.3-8.8111.8R140 L141 D142R138-R140 VanDerWaalsContact C-N 3.26Å; R138-R140 PolarHBondContact O-N 3.12Å; R138-L141 WeakPolarHBondContact O-CB 3.39Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-D142 PolarHBondContact O-N 2.84Å
139A92.2Very high92.3Very high73 Ų7347.9 Ų47.960%0.60326%0.263SS*.Hα-helixtrans-56.3-38174.100000112.9S137 L141 D142 Y143S137-A139 VanDerWaalsContact C-N 3.25Å; S137-A139 PolarHBondContact O-N 3.12Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 2.94Å; A139-D142 PolarHBondContact O-N 3.07Å; A139-Y143 PolarHBondContact O-N 2.94Å
140R92.8Very high92.2Very high62 Ų6255.6 Ų55.623%0.23430%0.303CS..Hα-helixtrans-67.7-31.3177-170.2178.5174.1-165.4-0.2112.1F136 S137 R138 Y143 C208F136-R140 HydrophobicContact CE1-CB 3.93Å; F136-R140 HydrophobicContact CE1-CG 4.07Å; F136-R140 HydrophobicContact CE2-CG 4.13Å; F136-R140 HydrophobicContact CZ-CB 4Å; F136-R140 HydrophobicContact CZ-CG 3.6Å; S137-R140 WeakPolarHBondContact O-CB 3.42Å; S137-R140 PolarHBondContact O-N 3.33Å; S137-R140 VanDerWaalsContact O-N 3.1Å; S137-R140 WeakPolarHBondContact OG-CB 3.41Å; S137-R140 PolarHBondContact OG-N 3.26Å; R138-R140 VanDerWaalsContact C-N 3.26Å; R138-R140 PolarHBondContact O-N 3.12Å; R140-Y143 WeakPolarHBondContact O-CB 3.35Å; R140-C208 PolarHBondContact NH2-SG 3.06Å
141L95.7Very high92.2Very high0 Ų058.7 Ų58.70%032%0.316CS..Hα-helixtrans-75.9-40.9172.7-169.960.5000111.5F136 S137 R138 A139 Y143 Y144 L156 S161 L164 H165 I168 V200 M201 I204F136-L141 HydrophobicContact CE1-CB 3.92Å; S137-L141 PolarHBondContact O-N 3.33Å; R138-L141 WeakPolarHBondContact O-CB 3.39Å; R138-L141 PolarHBondContact O-N 3.01Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 2.94Å; L141-Y143 PolarHBondContact O-N 3.35Å; L141-Y143 VanDerWaalsContact O-N 3.14Å; L141-Y144 HydrophobicContact CD1-CD2 4.44Å; L141-Y144 WeakPolarHBondContact O-CD2 3.4Å; L141-Y144 PolarHBondContact O-N 3.05Å; L141-L156 HydrophobicContact CD1-CD2 3.93Å; L141-L156 HydrophobicContact CD2-CD2 4.33Å; L141-L156 HydrophobicContact CG-CD2 3.95Å; L141-S161 VanDerWaalsContact CD2-O 3.31Å; L141-S161 WeakPolarHBondContact CD2-O 3.41Å; L141-L164 HydrophobicContact CD1-CD2 4.15Å; L141-L164 HydrophobicContact CD2-CB 4.26Å; L141-L164 HydrophobicContact CD2-CD2 4.46Å; L141-L164 HydrophobicContact CD2-CG 4.31Å; L141-H165 HydrophobicContact CD2-CB 3.79Å; L141-I168 HydrophobicContact CD1-CD1 4.03Å; L141-I168 HydrophobicContact CD2-CD1 4.05Å; L141-V200 HydrophobicContact CD1-CG1 4.01Å; L141-M201 HydrophobicContact CD1-CE 4.41Å; L141-I204 HydrophobicContact CD1-CD1 4.02Å
142D95.1Very high92.1Very high43 Ų4367.1 Ų67.123%0.2335%0.351CS..Hα-helixtrans-63.1-20.9-178.5-71.7-19.6000112.4R138 A139 Y144 T145 S161R138-D142 PolarHBondContact O-N 2.84Å; A139-D142 PolarHBondContact O-N 3.07Å; D142-Y144 PolarHBondContact O-N 3.22Å; D142-T145 WeakPolarHBondContact O-CB 3.41Å; D142-T145 PolarHBondContact O-N 3.38Å; D142-T145 PolarHBondContact O-OG1 3.13Å; D142-S161 WeakPolarHBondContact OD1-CB 3.37Å; D142-S161 PolarHBondContact OD1-OG 3.32Å
143Y94.7Very high92.1Very high107 Ų10773.3 Ų73.342%0.4238%0.38SS..G310 helixtrans-50-39.6167.1175-97.7000112.9A139 R140 L141 T145 Q148A139-Y143 PolarHBondContact O-N 2.94Å; R140-Y143 WeakPolarHBondContact O-CB 3.35Å; L141-Y143 PolarHBondContact O-N 3.35Å; L141-Y143 VanDerWaalsContact O-N 3.14Å; Y143-T145 VanDerWaalsContact C-N 3.27Å; Y143-T145 PolarHBondContact O-N 2.9Å; Y143-Q148 HydrophobicContact CE1-CG 4.34Å; Y143-Q148 HydrophobicContact CE2-CG 4.44Å; Y143-Q148 VanDerWaalsContact CE2-NE2 3.27Å; Y143-Q148 PolarHBondContact O-NE2 3.37Å
144Y96.4Very high92.4Very high14 Ų1471.4 Ų71.46%0.05537%0.372CS..G310 helixtrans-80.4-8.5180-60.4-81.5000113.5L141 D142 K146 K155 L156 V200 L203 I204L141-Y144 HydrophobicContact CD1-CD2 4.44Å; L141-Y144 WeakPolarHBondContact O-CD2 3.4Å; L141-Y144 PolarHBondContact O-N 3.05Å; D142-Y144 PolarHBondContact O-N 3.22Å; Y144-K146 VanDerWaalsContact C-N 3.31Å; Y144-K155 HydrophobicContact CD1-CD 4.22Å; Y144-K155 PolarHBondContact O-N 3.31Å; Y144-L156 PolarHBondContact O-N 3.43Å; Y144-V200 HydrophobicContact CD1-CG1 4.27Å; Y144-V200 HydrophobicContact CD2-CG1 3.89Å; Y144-V200 HydrophobicContact CE2-CG1 4.38Å; Y144-V200 HydrophobicContact CG-CG1 3.83Å; Y144-L203 HydrophobicContact CE1-CB 4.19Å; Y144-L203 HydrophobicContact CE1-CD1 4.26Å; Y144-I204 HydrophobicContact CD2-CD1 4.32Å; Y144-I204 HydrophobicContact CD2-CG1 4.43Å; Y144-I204 HydrophobicContact CE2-CD1 3.79Å; Y144-I204 HydrophobicContact CE2-CG1 3.49Å; Y144-I204 VanDerWaalsContact CE2-CG1 3.49Å; Y144-I204 WeakPolarHBondContact OH-CG1 3.47Å
145T96.5Very high92.8Very high19 Ų1974.2 Ų74.212%0.11738%0.384CS..G310 helixtrans-86.9-4.5178.772.30000114D142 Y143 P154 L156D142-T145 WeakPolarHBondContact O-CB 3.41Å; D142-T145 PolarHBondContact O-N 3.38Å; D142-T145 PolarHBondContact O-OG1 3.13Å; Y143-T145 VanDerWaalsContact C-N 3.27Å; Y143-T145 PolarHBondContact O-N 2.9Å; T145-P154 VanDerWaalsContact C-CB 3.43Å; T145-P154 WeakPolarHBondContact O-CB 3.39Å; T145-L156 VanDerWaalsContact CA-O 3.25Å; T145-L156 WeakPolarHBondContact CA-O 3.34Å; T145-L156 HydrophobicContact CG2-CB 4.3Å; T145-L156 HydrophobicContact CG2-CD2 4.07Å; T145-L156 HydrophobicContact CG2-CG 4.39Å
146K94.3Very high93.1Very high138 Ų13872.4 Ų72.460%0.638%0.377SS*.SBendtrans-111.1140.9176.2-59.9179.5-176.6178.30109.1Y144Y144-K146 VanDerWaalsContact C-N 3.31Å
147P93Very high93.3Very high69 Ų6973.5 Ų73.545%0.44838%0.384SS..  trans-58.2141.7169.3-19.731.2000110.6E151P147-E151 WeakPolarHBondContact CB-O 3.37Å
148Q87.9Confident93.5Very high54 Ų5475.5 Ų75.525%0.25240%0.396SS..  trans-122.8136.5-177.2-61-65.2-17.800110.6Y143 L150 E151Y143-Q148 HydrophobicContact CE1-CG 4.34Å; Y143-Q148 HydrophobicContact CE2-CG 4.44Å; Y143-Q148 VanDerWaalsContact CE2-NE2 3.27Å; Y143-Q148 PolarHBondContact O-NE2 3.37Å; Q148-L150 PolarHBondContact O-N 2.78Å; Q148-L150 VanDerWaalsContact O-N 3.16Å; Q148-E151 VanDerWaalsContact O-CB 3.32Å; Q148-E151 WeakPolarHBondContact O-CB 3.47Å; Q148-E151 WeakPolarHBondContact O-CG 3.48Å; Q148-E151 PolarHBondContact O-N 3.39Å
149G87.8Confident93.7Very high85 Ų8576.8 Ų76.888%0.87641%0.405SS*.THydrogen-bonded Turntrans58.5-116.5177.300000112.7
150L89Confident93.9Very high179 Ų17973.4 Ų73.494%0.93738%0.376SS*.THydrogen-bonded Turntrans-93.21.4-179.2-62.4174.2000113.6Q148Q148-L150 PolarHBondContact O-N 2.78Å; Q148-L150 VanDerWaalsContact O-N 3.16Å
151E90.3Very high94.1Very high80 Ų8070.5 Ų70.537%0.37437%0.366SS..  trans-71.7135-179.3-65.2173.2178.200111.1P147 Q148 K155P147-E151 WeakPolarHBondContact CB-O 3.37Å; Q148-E151 VanDerWaalsContact O-CB 3.32Å; Q148-E151 WeakPolarHBondContact O-CB 3.47Å; Q148-E151 WeakPolarHBondContact O-CG 3.48Å; Q148-E151 PolarHBondContact O-N 3.39Å; E151-K155 WeakPolarHBondContact OE1-CE 3.4Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 2.77Å; E151-K155 IonicContact OE2-NZ 3.09Å; E151-K155 PolarHBondContact OE2-NZ 2.89Å
152K90.1Very high94.1Very high203 Ų20372 Ų7288%0.88338%0.381SS*.SBendtrans-83.7-25.3177.2-66.4-177.3178.8179.80113.1
153E92.2Very high94.2Very high138 Ų13870.9 Ų70.965%0.64538%0.376SS*.SBendtrans-125.9150-176.2-67.2-171.8177.700110.8
154P95.9Very high94.3Very high37 Ų3765.8 Ų65.824%0.2436%0.356CS..  trans-71143.6175.231.2-35.1000111.2T145 L156T145-P154 VanDerWaalsContact C-CB 3.43Å; T145-P154 WeakPolarHBondContact O-CB 3.39Å; P154-L156 PolarHBondContact O-N 2.88Å
155K96.3Very high94.4Very high63 Ų6366 Ų6627%0.27436%0.358SS..SBendtrans-61.1-32.5175.9-64.1-173.8173.173.10112.5Y144 E151 V200 L203Y144-K155 HydrophobicContact CD1-CD 4.22Å; Y144-K155 PolarHBondContact O-N 3.31Å; E151-K155 WeakPolarHBondContact OE1-CE 3.4Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 2.77Å; E151-K155 IonicContact OE2-NZ 3.09Å; E151-K155 PolarHBondContact OE2-NZ 2.89Å; K155-V200 HydrophobicContact CB-CG2 4.25Å; K155-L203 HydrophobicContact CD-CD1 3.56Å
156L97.3Very high94.3Very high0 Ų071.1 Ų71.10%038%0.378CS..SBendtrans-120.9122.9175.1-169.665.8000110.2L141 Y144 T145 P154 L160 L164 V200L141-L156 HydrophobicContact CD1-CD2 3.93Å; L141-L156 HydrophobicContact CD2-CD2 4.33Å; L141-L156 HydrophobicContact CG-CD2 3.95Å; Y144-L156 PolarHBondContact O-N 3.43Å; T145-L156 VanDerWaalsContact CA-O 3.25Å; T145-L156 WeakPolarHBondContact CA-O 3.34Å; T145-L156 HydrophobicContact CG2-CB 4.3Å; T145-L156 HydrophobicContact CG2-CD2 4.07Å; T145-L156 HydrophobicContact CG2-CG 4.39Å; P154-L156 PolarHBondContact O-N 2.88Å; L156-L160 HydrophobicContact CD1-CB 3.95Å; L156-L160 HydrophobicContact CD1-CD1 4.41Å; L156-L160 HydrophobicContact CG-CB 4.33Å; L156-L164 HydrophobicContact CD1-CD2 3.77Å; L156-L164 HydrophobicContact CD2-CD2 3.89Å; L156-V200 HydrophobicContact CB-CG2 3.98Å; L156-V200 HydrophobicContact CD1-CG2 4.26Å
157P96.7Very high94.5Very high24 Ų2464.7 Ų64.716%0.15635%0.35CS..  trans-58.3132.9170.2-24.532.7000111.2K159 L160 K196P157-K159 HydrophobicContact CB-CG 4.18Å; P157-K159 PolarHBondContact O-N 3.34Å; P157-K159 VanDerWaalsContact O-N 3.08Å; P157-L160 HydrophobicContact CB-CD1 4.3Å; P157-L160 HydrophobicContact CB-CG 4.17Å; P157-L160 HydrophobicContact CG-CD1 3.98Å; P157-L160 HydrophobicContact CG-CG 4.39Å; P157-L160 WeakPolarHBondContact O-CB 3.32Å; P157-L160 PolarHBondContact O-N 3.12Å; P157-K196 HydrophobicContact CG-CD 3.78Å
158P96.4Very high94.6Very high82 Ų8261.4 Ų61.453%0.53233%0.329SS..Hα-helixtrans-53.7-35.6-176.8-28.232.8000114.3L160 S161P158-L160 PolarHBondContact O-N 3.14Å; P158-S161 WeakPolarHBondContact O-CB 3.39Å; P158-S161 PolarHBondContact O-N 2.96Å; P158-S161 VanDerWaalsContact O-N 3.12Å
159K96.4Very high94.9Very high143 Ų14360.5 Ų60.562%0.62233%0.325SS*.Hα-helixtrans-60.6-22.5176.166.6-179.7-177.8177.20114.2P157 P163 L187P157-K159 HydrophobicContact CB-CG 4.18Å; P157-K159 PolarHBondContact O-N 3.34Å; P157-K159 VanDerWaalsContact O-N 3.08Å; K159-P163 WeakPolarHBondContact O-CD 3.36Å; K159-L187 HydrophobicContact CB-CD1 4.37Å; K159-L187 HydrophobicContact CD-CD2 4.44Å
160L97.2Very high95.2Very high2 Ų257.4 Ų57.41%0.0129%0.29CS..Hα-helixtrans-89.9-14.3178.7-58.7-174.3000113.3L156 P157 P158 G162 P163 L164 L187 L188 A193L156-L160 HydrophobicContact CD1-CB 3.95Å; L156-L160 HydrophobicContact CD1-CD1 4.41Å; L156-L160 HydrophobicContact CG-CB 4.33Å; P157-L160 HydrophobicContact CB-CD1 4.3Å; P157-L160 HydrophobicContact CB-CG 4.17Å; P157-L160 HydrophobicContact CG-CD1 3.98Å; P157-L160 HydrophobicContact CG-CG 4.39Å; P157-L160 WeakPolarHBondContact O-CB 3.32Å; P157-L160 PolarHBondContact O-N 3.12Å; P158-L160 PolarHBondContact O-N 3.14Å; L160-G162 PolarHBondContact O-N 3.08Å; L160-P163 WeakPolarHBondContact O-CD 3.41Å; L160-L164 WeakPolarHBondContact O-CB 3.21Å; L160-L164 PolarHBondContact O-N 3.19Å; L160-L187 HydrophobicContact CD2-CB 3.8Å; L160-L187 VanDerWaalsContact CD2-O 3.24Å; L160-L187 WeakPolarHBondContact CD2-O 3.32Å; L160-L188 HydrophobicContact CD2-CD2 4.25Å; L160-A193 HydrophobicContact CD1-CB 3.7Å; L160-A193 HydrophobicContact CD2-CB 4.23Å
161S96.7Very high95.2Very high1 Ų151.7 Ų51.71%0.00726%0.263CS..Hα-helixtrans-57.1-51.4-179162.70000112L141 D142 P158 L164 H165L141-S161 VanDerWaalsContact CD2-O 3.31Å; L141-S161 WeakPolarHBondContact CD2-O 3.41Å; D142-S161 WeakPolarHBondContact OD1-CB 3.37Å; D142-S161 PolarHBondContact OD1-OG 3.32Å; P158-S161 WeakPolarHBondContact O-CB 3.39Å; P158-S161 PolarHBondContact O-N 2.96Å; P158-S161 VanDerWaalsContact O-N 3.12Å; S161-L164 PolarHBondContact O-N 2.84Å; S161-H165 WeakPolarHBondContact O-CB 3.47Å; S161-H165 PolarHBondContact O-N 3.16Å
162G96.2Very high95.4Very high32 Ų3248.6 Ų48.633%0.3325%0.249SC..Hα-helixtrans-59.3-55.5179.400000113.3L160 L164 H165 K166L160-G162 PolarHBondContact O-N 3.08Å; G162-L164 PolarHBondContact O-N 2.86Å; G162-H165 PolarHBondContact O-N 2.89Å; G162-K166 PolarHBondContact O-N 3.25Å; G162-K166 VanDerWaalsContact O-N 3.07Å
163P96.9Very high95.7Very high18 Ų1839 Ų3912%0.11721%0.207CC..Hα-helixtrans-57.6-42.6177.6-27.535.3000114.1K159 L160 K166 I167 N185 L188K159-P163 WeakPolarHBondContact O-CD 3.36Å; L160-P163 WeakPolarHBondContact O-CD 3.41Å; P163-K166 WeakPolarHBondContact O-CB 3.25Å; P163-K166 PolarHBondContact O-N 2.87Å; P163-I167 PolarHBondContact O-N 3.05Å; P163-N185 HydrophobicContact CB-CB 4.48Å; P163-N185 WeakPolarHBondContact CB-ND2 3.46Å; P163-N185 VanDerWaalsContact CG-ND2 3.33Å; P163-N185 WeakPolarHBondContact CG-ND2 3.5Å; P163-L188 HydrophobicContact CB-CD1 3.57Å; P163-L188 HydrophobicContact CB-CD2 4.22Å; P163-L188 HydrophobicContact CB-CG 3.72Å
164L97.9Very high96Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-69.9-40.2179.4-178.157.7000111.6L141 L156 L160 S161 G162 K166 I167 I168 C197 M201 L229L141-L164 HydrophobicContact CD1-CD2 4.15Å; L141-L164 HydrophobicContact CD2-CB 4.26Å; L141-L164 HydrophobicContact CD2-CD2 4.46Å; L141-L164 HydrophobicContact CD2-CG 4.31Å; L156-L164 HydrophobicContact CD1-CD2 3.77Å; L156-L164 HydrophobicContact CD2-CD2 3.89Å; L160-L164 WeakPolarHBondContact O-CB 3.21Å; L160-L164 PolarHBondContact O-N 3.19Å; S161-L164 PolarHBondContact O-N 2.84Å; G162-L164 PolarHBondContact O-N 2.86Å; L164-K166 VanDerWaalsContact C-N 3.28Å; L164-K166 PolarHBondContact O-N 3.39Å; L164-I167 WeakPolarHBondContact O-CB 3.5Å; L164-I167 PolarHBondContact O-N 3.29Å; L164-I168 HydrophobicContact CG-CD1 4.19Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 3.43Å; L164-C197 HydrophobicContact CD1-CB 3.98Å; L164-C197 HydrophobicContact CD2-CB 3.97Å; L164-M201 HydrophobicContact CD1-CE 4.09Å; L164-M201 HydrophobicContact CD1-SD 4.32Å; L164-M201 HydrophobicContact CD2-CE 3.87Å; L164-M201 HydrophobicContact CG-CE 4.04Å; L164-L229 HydrophobicContact CD1-CD1 4.04Å
165H97.1Very high96.1Very high19 Ų1931.2 Ų31.29%0.08817%0.168CC..Hα-helixtrans-57.9-41174.2-174.8-109.2000111.6F136 L141 S161 G162 I167 I168 M169F136-H165 PolarHBondContact O-CD2 3.4Å; F136-H165 PolarHBondContact O-NE2 2.91Å; L141-H165 HydrophobicContact CD2-CB 3.79Å; S161-H165 WeakPolarHBondContact O-CB 3.47Å; S161-H165 PolarHBondContact O-N 3.16Å; G162-H165 PolarHBondContact O-N 2.89Å; H165-I167 VanDerWaalsContact C-N 3.3Å; H165-I167 PolarHBondContact O-N 2.62Å; H165-I168 PolarHBondContact O-N 3.39Å; H165-M169 WeakPolarHBondContact O-CB 3.41Å; H165-M169 VanDerWaalsContact O-CG 3.3Å; H165-M169 WeakPolarHBondContact O-CG 3.47Å; H165-M169 PolarHBondContact O-N 2.9Å
166K95.8Very high96.2Very high127 Ų12728.2 Ų28.255%0.55216%0.155SC*.Hα-helixtrans-58.4-39.3173.5-172.7-177179.4-171.20112.5G162 P163 L164 S170 L181G162-K166 PolarHBondContact O-N 3.25Å; G162-K166 VanDerWaalsContact O-N 3.07Å; P163-K166 WeakPolarHBondContact O-CB 3.25Å; P163-K166 PolarHBondContact O-N 2.87Å; L164-K166 VanDerWaalsContact C-N 3.28Å; L164-K166 PolarHBondContact O-N 3.39Å; K166-S170 PolarHBondContact O-N 2.99Å; K166-L181 HydrophobicContact CD-CD2 4.43Å
167I97.1Very high96.2Very high3 Ų330 Ų302%0.01516%0.163CC..Hα-helixtrans-68.6-46.3176.3-66.8176.7000110.7P163 L164 H165 M169 S170 L178 L181 V182 L188 I225 L229P163-I167 PolarHBondContact O-N 3.05Å; L164-I167 WeakPolarHBondContact O-CB 3.5Å; L164-I167 PolarHBondContact O-N 3.29Å; H165-I167 VanDerWaalsContact C-N 3.3Å; H165-I167 PolarHBondContact O-N 2.62Å; I167-M169 VanDerWaalsContact C-N 3.29Å; I167-M169 PolarHBondContact O-N 2.96Å; I167-S170 VanDerWaalsContact O-CB 3.26Å; I167-S170 WeakPolarHBondContact O-CB 3.42Å; I167-S170 PolarHBondContact O-N 2.96Å; I167-S170 VanDerWaalsContact O-N 3.13Å; I167-L178 HydrophobicContact CG2-CD2 4.21Å; I167-L181 HydrophobicContact CD1-CB 4.43Å; I167-L181 HydrophobicContact CG1-CB 3.96Å; I167-L181 HydrophobicContact CG1-CD1 4.29Å; I167-V182 HydrophobicContact CD1-CG2 3.75Å; I167-L188 HydrophobicContact CD1-CD1 3.56Å; I167-I225 HydrophobicContact CG2-CD1 4.44Å; I167-I225 HydrophobicContact CG2-CG2 3.74Å; I167-L229 HydrophobicContact CD1-CD2 4.22Å
168I96.4Very high96.3Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-57.3-43.6178.3-68.2168.5000111.4F136 L141 L164 H165 S170 M201 K221 M222F136-I168 HydrophobicContact CB-CG2 3.49Å; F136-I168 VanDerWaalsContact CB-CG2 3.49Å; F136-I168 HydrophobicContact CD1-CD1 4.28Å; F136-I168 HydrophobicContact CD1-CG2 4.11Å; F136-I168 HydrophobicContact CD2-CG2 4.46Å; F136-I168 HydrophobicContact CE1-CD1 4.41Å; F136-I168 HydrophobicContact CG-CG2 3.78Å; L141-I168 HydrophobicContact CD1-CD1 4.03Å; L141-I168 HydrophobicContact CD2-CD1 4.05Å; L164-I168 HydrophobicContact CG-CD1 4.19Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 3.43Å; H165-I168 PolarHBondContact O-N 3.39Å; I168-S170 VanDerWaalsContact C-N 3.25Å; I168-S170 PolarHBondContact O-N 2.97Å; I168-M201 HydrophobicContact CD1-CE 3.43Å; I168-M201 VanDerWaalsContact CD1-CE 3.43Å; I168-M201 HydrophobicContact CD1-SD 4.06Å; I168-M201 HydrophobicContact CG1-CE 3.85Å; I168-M201 HydrophobicContact CG1-SD 3.78Å; I168-K221 WeakPolarHBondContact O-CE 3.47Å; I168-K221 PolarHBondContact O-NZ 3.05Å; I168-M222 HydrophobicContact CG1-SD 4.28Å; I168-M222 HydrophobicContact CG2-CE 3.51Å; I168-M222 HydrophobicContact CG2-SD 4.3Å
169M93.6Very high96.3Very high35 Ų3525.1 Ų25.117%0.17213%0.131CC..THydrogen-bonded Turntrans-76.2-9.5-178.2-69.3-56.6-59.600113.6Y135 F136 H165 I167 T171Y135-M169 HydrophobicContact CD2-CE 3.58Å; Y135-M169 HydrophobicContact CD2-SD 4.29Å; Y135-M169 HydrophobicContact CE2-CE 4.16Å; Y135-M169 HydrophobicContact CG-CE 4.44Å; F136-M169 HydrophobicContact CB-SD 4.13Å; F136-M169 PolarHBondContact N-SD 2.86Å; H165-M169 WeakPolarHBondContact O-CB 3.41Å; H165-M169 VanDerWaalsContact O-CG 3.3Å; H165-M169 WeakPolarHBondContact O-CG 3.47Å; H165-M169 PolarHBondContact O-N 2.9Å; I167-M169 VanDerWaalsContact C-N 3.29Å; I167-M169 PolarHBondContact O-N 2.96Å; M169-T171 PolarHBondContact O-N 3.33Å
170S93.3Very high96.3Very high19 Ų1919.7 Ų19.713%0.13311%0.108CC..  trans-61.8131173.9-1730000110.4K166 I167 I168 N172 K221K166-S170 PolarHBondContact O-N 2.99Å; I167-S170 VanDerWaalsContact O-CB 3.26Å; I167-S170 WeakPolarHBondContact O-CB 3.42Å; I167-S170 PolarHBondContact O-N 2.96Å; I167-S170 VanDerWaalsContact O-N 3.13Å; I168-S170 VanDerWaalsContact C-N 3.25Å; I168-S170 PolarHBondContact O-N 2.97Å; S170-N172 PolarHBondContact OG-N 3.2Å; S170-N172 PolarHBondContact OG-O 3.14Å; S170-N172 VanDerWaalsContact OG-O 3.14Å; S170-K221 WeakPolarHBondContact O-CE 3.43Å; S170-K221 PolarHBondContact O-NZ 3.42Å
171T90.6Very high96.3Very high60 Ų6020.2 Ų20.237%0.36811%0.111SC..  trans-90.7-20.8172.356.80000111.5T130 M169 L173T130-T171 HydrophobicContact CG2-CG2 3.52Å; M169-T171 PolarHBondContact O-N 3.33Å; T171-L173 PolarHBondContact O-N 3.34Å
172N94.2Very high96.3Very high15 Ų1520.2 Ų20.28%0.0811%0.111CC..  trans-80.1108.2174.2-177.8-13.5000110S170 N174 K177 C323 G324 E325S170-N172 PolarHBondContact OG-N 3.2Å; S170-N172 PolarHBondContact OG-O 3.14Å; S170-N172 VanDerWaalsContact OG-O 3.14Å; N172-N174 VanDerWaalsContact C-N 3.35Å; N172-N174 WeakPolarHBondContact OD1-CB 3.38Å; N172-N174 PolarHBondContact OD1-N 3.46Å; N172-K177 HydrophobicContact CB-CG 4.16Å; N172-C323 PolarHBondContact ND2-O 3.43Å; N172-C323 PolarHBondContact OD1-O 3.42Å; N172-G324 VanDerWaalsContact ND2-C 3.27Å; N172-G324 PolarHBondContact ND2-O 3.25Å; N172-E325 WeakPolarHBondContact ND2-CA 3.38Å; N172-E325 PolarHBondContact ND2-N 2.96Å
173L95.6Very high96.2Very high2 Ų222.7 Ų22.71%0.0111%0.112CC..  trans-91.26-179.3-59-177.7000113.3T171 K221 Y224 L301 L304 I308T171-L173 PolarHBondContact O-N 3.34Å; L173-K221 HydrophobicContact CD2-CG 4.35Å; L173-Y224 HydrophobicContact CB-CE1 4.03Å; L173-Y224 HydrophobicContact CD2-CD1 4.46Å; L173-Y224 WeakPolarHBondContact O-CE1 3.48Å; L173-Y224 PolarHBondContact O-OH 3Å; L173-L301 HydrophobicContact CB-CD1 4.38Å; L173-L304 HydrophobicContact CD1-CG 4.25Å; L173-I308 HydrophobicContact CD1-CB 3.94Å; L173-I308 HydrophobicContact CD1-CD1 3.45Å; L173-I308 VanDerWaalsContact CD1-CD1 3.45Å; L173-I308 HydrophobicContact CD1-CG1 4.25Å; L173-I308 HydrophobicContact CD1-CG2 4.06Å
174N97.8Very high96Very high10 Ų1027.1 Ų27.15%0.05313%0.131CC..  trans-60.4125.2175.1-172.6-63.4000109.2N172 V176 K177 L178 L301 C323N172-N174 VanDerWaalsContact C-N 3.35Å; N172-N174 WeakPolarHBondContact OD1-CB 3.38Å; N172-N174 PolarHBondContact OD1-N 3.46Å; N174-V176 PolarHBondContact O-N 2.85Å; N174-V176 WeakPolarHBondContact OD1-CA 3.46Å; N174-V176 WeakPolarHBondContact OD1-CB 3.34Å; N174-V176 PolarHBondContact OD1-N 3.28Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 WeakPolarHBondContact O-CB 3.41Å; N174-K177 PolarHBondContact O-N 3.44Å; N174-L178 PolarHBondContact O-N 3.1Å; N174-L178 VanDerWaalsContact O-N 3.13Å; N174-L301 HydrophobicContact CB-CD2 4.21Å; N174-C323 WeakPolarHBondContact CB-O 3.31Å
175P98.1Very high95.8Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-63.1-28.1-175.425.8-34.2000112L178 V179 Y224 V228 L250 Q263 F266 I267P175-L178 PolarHBondContact O-N 3.47Å; P175-V179 WeakPolarHBondContact O-CB 3.37Å; P175-V179 WeakPolarHBondContact O-CG2 3.46Å; P175-V179 PolarHBondContact O-N 3.32Å; P175-Y224 WeakPolarHBondContact CD-OH 3.45Å; P175-V228 HydrophobicContact CB-CG2 4.49Å; P175-L250 HydrophobicContact CB-CD1 4.22Å; P175-L250 HydrophobicContact CB-CD2 4.32Å; P175-L250 HydrophobicContact CG-CD2 4.24Å; P175-Q263 HydrophobicContact CG-CG 3.46Å; P175-Q263 VanDerWaalsContact CG-CG 3.46Å; P175-F266 HydrophobicContact CB-CD1 4.29Å; P175-F266 HydrophobicContact CB-CE1 4.12Å; P175-I267 HydrophobicContact CG-CD1 4.2Å; P175-I267 HydrophobicContact CG-CG1 4.35Å
176V98.3Very high95.6Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-62.5-45.2173179.20000110.6N174 L178 V179 M180 V247 L250 L251 T322 M348N174-V176 PolarHBondContact O-N 2.85Å; N174-V176 WeakPolarHBondContact OD1-CA 3.46Å; N174-V176 WeakPolarHBondContact OD1-CB 3.34Å; N174-V176 PolarHBondContact OD1-N 3.28Å; V176-L178 PolarHBondContact O-N 3.08Å; V176-V179 PolarHBondContact O-N 2.87Å; V176-M180 HydrophobicContact CG1-CG 4.43Å; V176-M180 HydrophobicContact CG1-SD 4.22Å; V176-M180 WeakPolarHBondContact O-CG 3.42Å; V176-M180 PolarHBondContact O-N 3.46Å; V176-V247 HydrophobicContact CG1-CG1 3.86Å; V176-L250 HydrophobicContact CG2-CB 3.76Å; V176-L250 HydrophobicContact CG2-CD1 4.38Å; V176-L251 HydrophobicContact CG1-CD1 4.47Å; V176-L251 HydrophobicContact CG1-CD2 4.43Å; V176-L251 HydrophobicContact CG1-CG 4.44Å; V176-L251 HydrophobicContact CG2-CD2 3.88Å; V176-L251 HydrophobicContact CG2-CG 3.97Å; V176-T322 WeakPolarHBondContact CB-O 3.37Å; V176-T322 WeakPolarHBondContact CG1-O 3.45Å; V176-M348 HydrophobicContact CG1-CE 4.02Å
177K98Very high95.5Very high38 Ų3830.5 Ų30.517%0.16516%0.161CC..Hα-helixtrans-61.9-45177.2-179.269.2-176.5-165.90111.8N172 N174 M180 L181 C323 E325N172-K177 HydrophobicContact CB-CG 4.16Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 WeakPolarHBondContact O-CB 3.41Å; N174-K177 PolarHBondContact O-N 3.44Å; K177-M180 WeakPolarHBondContact O-CB 3.3Å; K177-M180 PolarHBondContact O-N 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.26Å; K177-L181 PolarHBondContact O-N 3.28Å; K177-C323 HydrophobicContact CB-CB 4.37Å; K177-C323 WeakPolarHBondContact CB-O 3.4Å; K177-C323 HydrophobicContact CD-CB 4.33Å; K177-E325 VanDerWaalsContact CE-OE2 3.22Å; K177-E325 WeakPolarHBondContact CE-OE2 3.15Å; K177-E325 IonicContact NZ-OE2 3.73Å; K177-E325 PolarHBondContact NZ-OE2 3.45Å
178L98.1Very high95.3Very high2 Ų230.4 Ų30.41%0.0116%0.161CC..Hα-helixtrans-63.9-41.6179.4-64178.4000111.7I167 N174 P175 V176 M180 L181 V182 Y224 V228I167-L178 HydrophobicContact CG2-CD2 4.21Å; N174-L178 PolarHBondContact O-N 3.1Å; N174-L178 VanDerWaalsContact O-N 3.13Å; P175-L178 PolarHBondContact O-N 3.47Å; V176-L178 PolarHBondContact O-N 3.08Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 3.01Å; L178-L181 HydrophobicContact CD2-CD1 4.41Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-V182 PolarHBondContact O-N 3.31Å; L178-V182 VanDerWaalsContact O-N 3.16Å; L178-Y224 HydrophobicContact CD1-CD1 4.23Å; L178-Y224 HydrophobicContact CD1-CE1 3.69Å; L178-V228 HydrophobicContact CB-CG1 3.81Å; L178-V228 HydrophobicContact CD1-CB 4.44Å; L178-V228 HydrophobicContact CD1-CG1 4.44Å; L178-V228 HydrophobicContact CD1-CG2 3.97Å
179V97.8Very high95Very high1 Ų132 Ų321%0.00617%0.174CC..Hα-helixtrans-64.7-38173.7176.10000111.2P175 V176 V182 K183 V228 L243 L246 V247 L250P175-V179 WeakPolarHBondContact O-CB 3.37Å; P175-V179 WeakPolarHBondContact O-CG2 3.46Å; P175-V179 PolarHBondContact O-N 3.32Å; V176-V179 PolarHBondContact O-N 2.87Å; V179-V182 PolarHBondContact O-N 3.1Å; V179-K183 WeakPolarHBondContact O-CB 3.17Å; V179-K183 PolarHBondContact O-N 3.46Å; V179-V228 HydrophobicContact CG2-CG1 4.08Å; V179-L243 HydrophobicContact CG1-CB 4.05Å; V179-L243 HydrophobicContact CG1-CD1 4.41Å; V179-L246 HydrophobicContact CG1-CD2 4.16Å; V179-L246 HydrophobicContact CG1-CG 4.44Å; V179-L246 HydrophobicContact CG2-CD2 3.89Å; V179-L246 HydrophobicContact CG2-CG 4.34Å; V179-V247 HydrophobicContact CB-CG2 4.21Å; V179-V247 HydrophobicContact CG1-CG2 3.55Å; V179-L250 HydrophobicContact CG2-CD1 3.88Å
180M96.3Very high94.9Very high29 Ų2936 Ų3614%0.14319%0.192CC..Hα-helixtrans-61.3-44.2173.5-71.5172.57600111.8V176 K177 L178 V182 K183 E184 C323 M348V176-M180 HydrophobicContact CG1-CG 4.43Å; V176-M180 HydrophobicContact CG1-SD 4.22Å; V176-M180 WeakPolarHBondContact O-CG 3.42Å; V176-M180 PolarHBondContact O-N 3.46Å; K177-M180 WeakPolarHBondContact O-CB 3.3Å; K177-M180 PolarHBondContact O-N 3.36Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 3.01Å; M180-V182 VanDerWaalsContact C-N 3.28Å; M180-V182 PolarHBondContact O-N 2.95Å; M180-K183 PolarHBondContact O-N 2.91Å; M180-K183 VanDerWaalsContact O-N 3.12Å; M180-E184 WeakPolarHBondContact O-CB 3.42Å; M180-E184 VanDerWaalsContact O-CG 3.25Å; M180-E184 WeakPolarHBondContact O-CG 3.39Å; M180-E184 PolarHBondContact O-N 3.01Å; M180-C323 HydrophobicContact SD-CB 3.98Å; M180-M348 HydrophobicContact CE-CE 4.02Å; M180-M348 HydrophobicContact CG-CE 4.2Å; M180-M348 HydrophobicContact SD-CE 3.55Å; M180-M348 VanDerWaalsContact SD-CE 3.55Å
181L96.9Very high95Very high14 Ų1437.1 Ų37.17%0.07320%0.198CC..Hα-helixtrans-60.7-37.3177.8-71174.1000112.3K166 I167 K177 L178K166-L181 HydrophobicContact CD-CD2 4.43Å; I167-L181 HydrophobicContact CD1-CB 4.43Å; I167-L181 HydrophobicContact CG1-CB 3.96Å; I167-L181 HydrophobicContact CG1-CD1 4.29Å; K177-L181 WeakPolarHBondContact O-CG 3.26Å; K177-L181 PolarHBondContact O-N 3.28Å; L178-L181 HydrophobicContact CD2-CD1 4.41Å; L178-L181 PolarHBondContact O-N 3.42Å
182V96.9Very high95.2Very high1 Ų140.3 Ų40.31%0.00621%0.209CC..Hα-helixtrans-64.8-50.7171.7174.10000110.4I167 L178 V179 M180 E184 N185 L188 L194 L229 L243I167-V182 HydrophobicContact CD1-CG2 3.75Å; L178-V182 PolarHBondContact O-N 3.31Å; L178-V182 VanDerWaalsContact O-N 3.16Å; V179-V182 PolarHBondContact O-N 3.1Å; M180-V182 VanDerWaalsContact C-N 3.28Å; M180-V182 PolarHBondContact O-N 2.95Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 3.19Å; V182-N185 PolarHBondContact O-N 3.5Å; V182-N185 VanDerWaalsContact O-N 3.13Å; V182-N185 VanDerWaalsContact O-O 3.07Å; V182-L188 HydrophobicContact CG1-CB 4.13Å; V182-L194 HydrophobicContact CG1-CD2 3.78Å; V182-L194 HydrophobicContact CG2-CD2 4.32Å; V182-L229 HydrophobicContact CG2-CD2 3.63Å; V182-L243 HydrophobicContact CB-CD1 4.09Å; V182-L243 HydrophobicContact CG1-CD1 3.5Å
183K93.8Very high95.3Very high84 Ų8440.2 Ų40.237%0.36521%0.21SC..Hα-helixtrans-61.1-37-177.5-176.8-171.6168.2-164.70112.9V179 M180 N185 L243 D244V179-K183 WeakPolarHBondContact O-CB 3.17Å; V179-K183 PolarHBondContact O-N 3.46Å; M180-K183 PolarHBondContact O-N 2.91Å; M180-K183 VanDerWaalsContact O-N 3.12Å; K183-N185 PolarHBondContact O-N 3.37Å; K183-L243 HydrophobicContact CB-CB 4.29Å; K183-L243 HydrophobicContact CB-CD1 4.11Å; K183-L243 HydrophobicContact CG-CB 4.42Å; K183-D244 WeakPolarHBondContact CE-OD2 3.37Å; K183-D244 IonicContact NZ-OD1 3.27Å; K183-D244 PolarHBondContact NZ-OD1 2.96Å; K183-D244 IonicContact NZ-OD2 2.72Å; K183-D244 PolarHBondContact NZ-OD2 3.16Å; K183-D244 VanDerWaalsContact NZ-OD2 3.15Å
184E93.4Very high95.4Very high110 Ų11040.2 Ų40.251%0.51421%0.21SC..THydrogen-bonded Turntrans-69.2-17.1179.5-75.5169.4-169.200112.9M180 V182M180-E184 WeakPolarHBondContact O-CB 3.42Å; M180-E184 VanDerWaalsContact O-CG 3.25Å; M180-E184 WeakPolarHBondContact O-CG 3.39Å; M180-E184 PolarHBondContact O-N 3.01Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 3.19Å
185N93.8Very high95.4Very high43 Ų4341.9 Ų41.923%0.2322%0.219CC..  trans-114.1106.3-179.7-161.2-59.4000111.7P163 V182 K183 L187 L188 A189P163-N185 HydrophobicContact CB-CB 4.48Å; P163-N185 WeakPolarHBondContact CB-ND2 3.46Å; P163-N185 VanDerWaalsContact CG-ND2 3.33Å; P163-N185 WeakPolarHBondContact CG-ND2 3.5Å; V182-N185 PolarHBondContact O-N 3.5Å; V182-N185 VanDerWaalsContact O-N 3.13Å; V182-N185 VanDerWaalsContact O-O 3.07Å; K183-N185 PolarHBondContact O-N 3.37Å; N185-L187 PolarHBondContact O-N 2.85Å; N185-L187 VanDerWaalsContact O-N 3.07Å; N185-L187 VanDerWaalsContact OD1-CB 3.32Å; N185-L187 WeakPolarHBondContact OD1-CB 3.31Å; N185-L187 PolarHBondContact OD1-N 3.46Å; N185-L187 VanDerWaalsContact OD1-N 3.09Å; N185-L188 HydrophobicContact CB-CB 4.36Å; N185-L188 HydrophobicContact CB-CD1 4.16Å; N185-L188 HydrophobicContact CB-CG 4.33Å; N185-L188 PolarHBondContact O-N 2.77Å; N185-A189 PolarHBondContact O-N 3.5Å
186P91.8Very high95.4Very high100 Ų10043.6 Ų43.665%0.64923%0.226SC*.THydrogen-bonded Turntrans-56.7-28.7-179-26.835000114.3L188 A189P186-L188 VanDerWaalsContact C-N 3.26Å; P186-L188 PolarHBondContact O-N 3.34Å; P186-A189 PolarHBondContact O-N 2.88Å
187L93.6Very high95.4Very high74 Ų7443.6 Ų43.639%0.38723%0.226SC..THydrogen-bonded Turntrans-69.6-25.8178.6-57.4176.7000112.7K159 L160 N185 A193K159-L187 HydrophobicContact CB-CD1 4.37Å; K159-L187 HydrophobicContact CD-CD2 4.44Å; L160-L187 HydrophobicContact CD2-CB 3.8Å; L160-L187 VanDerWaalsContact CD2-O 3.24Å; L160-L187 WeakPolarHBondContact CD2-O 3.32Å; N185-L187 PolarHBondContact O-N 2.85Å; N185-L187 VanDerWaalsContact O-N 3.07Å; N185-L187 VanDerWaalsContact OD1-CB 3.32Å; N185-L187 WeakPolarHBondContact OD1-CB 3.31Å; N185-L187 PolarHBondContact OD1-N 3.46Å; N185-L187 VanDerWaalsContact OD1-N 3.09Å; L187-A193 VanDerWaalsContact O-CB 3.26Å; L187-A193 WeakPolarHBondContact O-CB 3.12Å
188L93.5Very high95.4Very high1 Ų145.8 Ų45.81%0.00523%0.233CC..THydrogen-bonded Turntrans-91.7-19.5176.8-69.3176.8000112.6L160 P163 I167 V182 N185 P186 E190 L194L160-L188 HydrophobicContact CD2-CD2 4.25Å; P163-L188 HydrophobicContact CB-CD1 3.57Å; P163-L188 HydrophobicContact CB-CD2 4.22Å; P163-L188 HydrophobicContact CB-CG 3.72Å; I167-L188 HydrophobicContact CD1-CD1 3.56Å; V182-L188 HydrophobicContact CG1-CB 4.13Å; N185-L188 HydrophobicContact CB-CB 4.36Å; N185-L188 HydrophobicContact CB-CD1 4.16Å; N185-L188 HydrophobicContact CB-CG 4.33Å; N185-L188 PolarHBondContact O-N 2.77Å; P186-L188 VanDerWaalsContact C-N 3.26Å; P186-L188 PolarHBondContact O-N 3.34Å; L188-E190 PolarHBondContact O-N 2.95Å; L188-L194 WeakPolarHBondContact O-CD2 3.46Å; L188-L194 WeakPolarHBondContact O-CG 3.33Å
189A90.1Very high95.4Very high33 Ų3350.5 Ų50.527%0.27325%0.251SS..SBendtrans-78.226.7-17700000113.6N185 P186N185-A189 PolarHBondContact O-N 3.5Å; P186-A189 PolarHBondContact O-N 2.88Å
190E92Very high95.4Very high121 Ų12150.5 Ų50.557%0.56525%0.251SS*.SBendtrans-118.3137.4179.9-67.9-63.4159.200109.9L188 E192 A193 L194L188-E190 PolarHBondContact O-N 2.95Å; E190-E192 VanDerWaalsContact C-N 3.34Å; E190-E192 PolarHBondContact O-N 2.99Å; E190-A193 HydrophobicContact CB-CB 3.95Å; E190-A193 WeakPolarHBondContact O-CB 3.46Å; E190-A193 PolarHBondContact O-N 2.87Å; E190-A193 VanDerWaalsContact O-N 3.15Å; E190-L194 WeakPolarHBondContact O-CG 3.2Å; E190-L194 PolarHBondContact O-N 2.92Å
191V94.3Very high95.5Very high42 Ų4249.1 Ų49.126%0.25524%0.244SC..Hα-helixtrans-58.3-44.9-174.7173.20000112L194 D195 L236 K237V191-L194 PolarHBondContact O-N 3.39Å; V191-D195 WeakPolarHBondContact O-CB 3.02Å; V191-D195 PolarHBondContact O-N 3.39Å; V191-D195 VanDerWaalsContact O-N 3.08Å; V191-L236 HydrophobicContact CG2-CB 3.72Å; V191-K237 HydrophobicContact CB-CG 4.45Å; V191-K237 HydrophobicContact CG1-CD 3.95Å; V191-K237 HydrophobicContact CG1-CG 3.55Å; V191-K237 HydrophobicContact CG2-CG 3.98Å
192E95.1Very high95.6Very high127 Ų12751.9 Ų51.959%0.59326%0.257SS*.Hα-helixtrans-67.6-38.3179.6-165.8-165.5153.400111.9E190 D195 K196E190-E192 VanDerWaalsContact C-N 3.34Å; E190-E192 PolarHBondContact O-N 2.99Å; E192-D195 PolarHBondContact O-N 2.87Å; E192-K196 WeakPolarHBondContact O-CG 3.38Å; E192-K196 PolarHBondContact O-N 3.09Å; E192-K196 WeakPolarHBondContact OE1-CE 3.38Å; E192-K196 IonicContact OE1-NZ 2.62Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å
193A96.3Very high95.6Very high12 Ų1254.6 Ų54.610%0.09927%0.271CS..Hα-helixtrans-63.8-45.7177.400000111L160 L187 E190 D195 K196 C197L160-A193 HydrophobicContact CD1-CB 3.7Å; L160-A193 HydrophobicContact CD2-CB 4.23Å; L187-A193 VanDerWaalsContact O-CB 3.26Å; L187-A193 WeakPolarHBondContact O-CB 3.12Å; E190-A193 HydrophobicContact CB-CB 3.95Å; E190-A193 WeakPolarHBondContact O-CB 3.46Å; E190-A193 PolarHBondContact O-N 2.87Å; E190-A193 VanDerWaalsContact O-N 3.15Å; A193-D195 VanDerWaalsContact C-N 3.31Å; A193-D195 PolarHBondContact O-N 3.38Å; A193-K196 PolarHBondContact O-N 2.71Å; A193-C197 WeakPolarHBondContact O-CB 3.08Å; A193-C197 PolarHBondContact O-N 2.89Å; A193-C197 PolarHBondContact O-SG 3.43Å
194L96.9Very high95.7Very high2 Ų250.6 Ų50.61%0.0125%0.254CS..Hα-helixtrans-60.8-40.8176.3-72.6167.8000112.3V182 L188 E190 V191 C197 R198 L229 C232 L236V182-L194 HydrophobicContact CG1-CD2 3.78Å; V182-L194 HydrophobicContact CG2-CD2 4.32Å; L188-L194 WeakPolarHBondContact O-CD2 3.46Å; L188-L194 WeakPolarHBondContact O-CG 3.33Å; E190-L194 WeakPolarHBondContact O-CG 3.2Å; E190-L194 PolarHBondContact O-N 2.92Å; V191-L194 PolarHBondContact O-N 3.39Å; L194-C197 PolarHBondContact O-N 3.09Å; L194-R198 WeakPolarHBondContact O-CB 3.41Å; L194-R198 PolarHBondContact O-N 3.18Å; L194-L229 HydrophobicContact CD2-CB 4.41Å; L194-L229 HydrophobicContact CD2-CD2 3.8Å; L194-C232 HydrophobicContact CD1-CB 3.76Å; L194-C232 HydrophobicContact CD2-CB 4.23Å; L194-L236 HydrophobicContact CD1-CD1 3.67Å
195D97.8Very high95.9Very high45 Ų4545.5 Ų45.524%0.24123%0.23CC..Hα-helixtrans-67.5-40179.1-174.655000112V191 E192 A193 R198 R199V191-D195 WeakPolarHBondContact O-CB 3.02Å; V191-D195 PolarHBondContact O-N 3.39Å; V191-D195 VanDerWaalsContact O-N 3.08Å; E192-D195 PolarHBondContact O-N 2.87Å; A193-D195 VanDerWaalsContact C-N 3.31Å; A193-D195 PolarHBondContact O-N 3.38Å; D195-R198 PolarHBondContact O-N 3.25Å; D195-R198 IonicContact OD1-NE 4Å; D195-R198 IonicContact OD1-NH2 3.65Å; D195-R199 WeakPolarHBondContact O-CG 3.46Å; D195-R199 PolarHBondContact O-N 3.43Å; D195-R199 IonicContact OD1-NH1 2.62Å; D195-R199 IonicContact OD2-CZ 2.77Å; D195-R199 VanDerWaalsContact OD2-CZ 3.22Å; D195-R199 IonicContact OD2-NH1 2.89Å; D195-R199 PolarHBondContact OD2-NH1 3.12Å; D195-R199 IonicContact OD2-NH2 3.15Å; D195-R199 PolarHBondContact OD2-NH2 3.49Å
196K97.8Very high96Very high36 Ų3646.6 Ų46.616%0.15723%0.234CC..Hα-helixtrans-63.1-46.6171.2-71-177.8-172.5175.10111.7P157 E192 A193 R198 R199 V200P157-K196 HydrophobicContact CG-CD 3.78Å; E192-K196 WeakPolarHBondContact O-CG 3.38Å; E192-K196 PolarHBondContact O-N 3.09Å; E192-K196 WeakPolarHBondContact OE1-CE 3.38Å; E192-K196 IonicContact OE1-NZ 2.62Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å; A193-K196 PolarHBondContact O-N 2.71Å; K196-R198 PolarHBondContact O-N 3.08Å; K196-R199 PolarHBondContact O-N 2.92Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.35Å; K196-V200 PolarHBondContact O-N 3.19Å; K196-V200 VanDerWaalsContact O-N 3.09Å
197C98.4Very high96.1Very high0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-60.7-45.2176.5-68.80000112L164 A193 L194 V200 M201 L229L164-C197 HydrophobicContact CD1-CB 3.98Å; L164-C197 HydrophobicContact CD2-CB 3.97Å; A193-C197 WeakPolarHBondContact O-CB 3.08Å; A193-C197 PolarHBondContact O-N 2.89Å; A193-C197 PolarHBondContact O-SG 3.43Å; L194-C197 PolarHBondContact O-N 3.09Å; C197-V200 PolarHBondContact O-N 3.19Å; C197-M201 WeakPolarHBondContact O-CG 3.5Å; C197-M201 PolarHBondContact O-N 2.92Å; C197-L229 HydrophobicContact CB-CD1 3.81Å
198R98.4Very high96.1Very high84 Ų8442.9 Ų42.932%0.31720%0.204SC..Hα-helixtrans-56.6-51.1176.9-179.9-176.583.8105.2-8.3111.5L194 D195 K196 V200 M201 E202 S226 L229L194-R198 WeakPolarHBondContact O-CB 3.41Å; L194-R198 PolarHBondContact O-N 3.18Å; D195-R198 PolarHBondContact O-N 3.25Å; D195-R198 IonicContact OD1-NE 4Å; D195-R198 IonicContact OD1-NH2 3.65Å; K196-R198 PolarHBondContact O-N 3.08Å; R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 3.06Å; R198-M201 WeakPolarHBondContact O-CB 3.04Å; R198-M201 PolarHBondContact O-N 3.18Å; R198-M201 VanDerWaalsContact O-N 3.13Å; R198-E202 IonicContact CZ-OE1 2.69Å; R198-E202 IonicContact NE-OE1 3.23Å; R198-E202 IonicContact NH1-OE1 2.63Å; R198-E202 PolarHBondContact NH1-OE1 2.73Å; R198-E202 WeakPolarHBondContact O-CG 3.25Å; R198-E202 PolarHBondContact O-N 3.49Å; R198-S226 WeakPolarHBondContact CG-O 3.27Å; R198-L229 HydrophobicContact CB-CB 4.37Å
199R98.2Very high96Very high102 Ų10243.9 Ų43.939%0.38521%0.209SC..Hα-helixtrans-58.8-41.1177.6-78.1-166.8-69.2-96.1-10112.5D195 K196 M201 E202 L203D195-R199 WeakPolarHBondContact O-CG 3.46Å; D195-R199 PolarHBondContact O-N 3.43Å; D195-R199 IonicContact OD1-NH1 2.62Å; D195-R199 IonicContact OD2-CZ 2.77Å; D195-R199 VanDerWaalsContact OD2-CZ 3.22Å; D195-R199 IonicContact OD2-NH1 2.89Å; D195-R199 PolarHBondContact OD2-NH1 3.12Å; D195-R199 IonicContact OD2-NH2 3.15Å; D195-R199 PolarHBondContact OD2-NH2 3.49Å; K196-R199 PolarHBondContact O-N 2.92Å; R199-M201 VanDerWaalsContact C-N 3.31Å; R199-M201 PolarHBondContact O-N 2.99Å; R199-E202 PolarHBondContact O-N 3.42Å; R199-L203 WeakPolarHBondContact O-CG 3.49Å; R199-L203 PolarHBondContact O-N 2.94Å
200V98.1Very high96.1Very high1 Ų149.1 Ų49.11%0.00623%0.226CC..Hα-helixtrans-65.3-37.4177.7171.80000111.1L141 Y144 K155 L156 K196 C197 R198 L203 I204L141-V200 HydrophobicContact CD1-CG1 4.01Å; Y144-V200 HydrophobicContact CD1-CG1 4.27Å; Y144-V200 HydrophobicContact CD2-CG1 3.89Å; Y144-V200 HydrophobicContact CE2-CG1 4.38Å; Y144-V200 HydrophobicContact CG-CG1 3.83Å; K155-V200 HydrophobicContact CB-CG2 4.25Å; L156-V200 HydrophobicContact CB-CG2 3.98Å; L156-V200 HydrophobicContact CD1-CG2 4.26Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.35Å; K196-V200 PolarHBondContact O-N 3.19Å; K196-V200 VanDerWaalsContact O-N 3.09Å; C197-V200 PolarHBondContact O-N 3.19Å; R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 3.06Å; V200-L203 PolarHBondContact O-N 3.1Å; V200-I204 HydrophobicContact CG1-CD1 3.8Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; V200-I204 WeakPolarHBondContact O-CD1 3.25Å; V200-I204 VanDerWaalsContact O-CG1 3.25Å; V200-I204 WeakPolarHBondContact O-CG1 3.37Å; V200-I204 PolarHBondContact O-N 3.38Å
201M98.4Very high95.9Very high0 Ų046.6 Ų46.60%021%0.214CC..Hα-helixtrans-64.2-41.2173.3-66.3-61.694.800112.1L141 L164 I168 C197 R198 R199 I204 C205 M222 I225 L229L141-M201 HydrophobicContact CD1-CE 4.41Å; L164-M201 HydrophobicContact CD1-CE 4.09Å; L164-M201 HydrophobicContact CD1-SD 4.32Å; L164-M201 HydrophobicContact CD2-CE 3.87Å; L164-M201 HydrophobicContact CG-CE 4.04Å; I168-M201 HydrophobicContact CD1-CE 3.43Å; I168-M201 VanDerWaalsContact CD1-CE 3.43Å; I168-M201 HydrophobicContact CD1-SD 4.06Å; I168-M201 HydrophobicContact CG1-CE 3.85Å; I168-M201 HydrophobicContact CG1-SD 3.78Å; C197-M201 WeakPolarHBondContact O-CG 3.5Å; C197-M201 PolarHBondContact O-N 2.92Å; R198-M201 WeakPolarHBondContact O-CB 3.04Å; R198-M201 PolarHBondContact O-N 3.18Å; R198-M201 VanDerWaalsContact O-N 3.13Å; R199-M201 VanDerWaalsContact C-N 3.31Å; R199-M201 PolarHBondContact O-N 2.99Å; M201-I204 HydrophobicContact CE-CD1 3.56Å; M201-I204 PolarHBondContact O-N 3.32Å; M201-C205 WeakPolarHBondContact O-CB 3.45Å; M201-C205 PolarHBondContact O-N 3.41Å; M201-M222 HydrophobicContact CE-SD 4.31Å; M201-M222 HydrophobicContact SD-SD 3.63Å; M201-M222 VanDerWaalsContact SD-SD 3.63Å; M201-I225 HydrophobicContact CG-CG2 4Å; M201-I225 HydrophobicContact SD-CB 4.49Å; M201-I225 HydrophobicContact SD-CG2 4.01Å; M201-L229 HydrophobicContact CG-CD1 4.08Å
202E98.3Very high95.1Very high72 Ų7253.6 Ų53.634%0.33624%0.244SC..Hα-helixtrans-61.5-43.4175-68.9166-179.400111.5R198 R199 C205 E206R198-E202 IonicContact CZ-OE1 2.69Å; R198-E202 IonicContact NE-OE1 3.23Å; R198-E202 IonicContact NH1-OE1 2.63Å; R198-E202 PolarHBondContact NH1-OE1 2.73Å; R198-E202 WeakPolarHBondContact O-CG 3.25Å; R198-E202 PolarHBondContact O-N 3.49Å; R199-E202 PolarHBondContact O-N 3.42Å; E202-C205 WeakPolarHBondContact O-CB 3.44Å; E202-C205 PolarHBondContact O-N 3.26Å; E202-E206 PolarHBondContact O-N 2.92Å
203L97.2Very high94.4Very high58 Ų5853.7 Ų53.730%0.30425%0.249SC..Hα-helixtrans-64.3-41175.3-69.8170.9000112.8Y144 K155 R199 V200 E206 K207Y144-L203 HydrophobicContact CE1-CB 4.19Å; Y144-L203 HydrophobicContact CE1-CD1 4.26Å; K155-L203 HydrophobicContact CD-CD1 3.56Å; R199-L203 WeakPolarHBondContact O-CG 3.49Å; R199-L203 PolarHBondContact O-N 2.94Å; V200-L203 PolarHBondContact O-N 3.1Å; L203-E206 PolarHBondContact O-N 3.35Å; L203-K207 WeakPolarHBondContact O-CB 3.35Å; L203-K207 PolarHBondContact O-N 3.18Å
204I96.7Very high93.9Very high0 Ų058.4 Ų58.40%027%0.27CS..Hα-helixtrans-66.8-41.5176.6-67.3163.7000110F136 L141 Y144 V200 M201 E206 K207 C208 M222F136-I204 HydrophobicContact CE1-CD1 4.29Å; F136-I204 HydrophobicContact CE2-CD1 4.44Å; F136-I204 HydrophobicContact CE2-CG2 3.5Å; F136-I204 HydrophobicContact CZ-CD1 3.7Å; F136-I204 HydrophobicContact CZ-CG1 4.16Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; L141-I204 HydrophobicContact CD1-CD1 4.02Å; Y144-I204 HydrophobicContact CD2-CD1 4.32Å; Y144-I204 HydrophobicContact CD2-CG1 4.43Å; Y144-I204 HydrophobicContact CE2-CD1 3.79Å; Y144-I204 HydrophobicContact CE2-CG1 3.49Å; Y144-I204 VanDerWaalsContact CE2-CG1 3.49Å; Y144-I204 WeakPolarHBondContact OH-CG1 3.47Å; V200-I204 HydrophobicContact CG1-CD1 3.8Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; V200-I204 WeakPolarHBondContact O-CD1 3.25Å; V200-I204 VanDerWaalsContact O-CG1 3.25Å; V200-I204 WeakPolarHBondContact O-CG1 3.37Å; V200-I204 PolarHBondContact O-N 3.38Å; M201-I204 HydrophobicContact CE-CD1 3.56Å; M201-I204 PolarHBondContact O-N 3.32Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.23Å; I204-K207 PolarHBondContact O-N 3.46Å; I204-C208 PolarHBondContact O-N 2.97Å; I204-C208 PolarHBondContact O-SG 3.35Å; I204-M222 HydrophobicContact CB-CG 4.36Å; I204-M222 HydrophobicContact CG2-CE 4.35Å; I204-M222 HydrophobicContact CG2-CG 3.75Å; I204-M222 HydrophobicContact CG2-SD 3.95Å
205C97Very high93.5Very high3 Ų361 Ų612%0.0228%0.284CS..Hα-helixtrans-55-50.2174176.70000111.2M201 E202 K207 C208 I209 A219 M222M201-C205 WeakPolarHBondContact O-CB 3.45Å; M201-C205 PolarHBondContact O-N 3.41Å; E202-C205 WeakPolarHBondContact O-CB 3.44Å; E202-C205 PolarHBondContact O-N 3.26Å; C205-K207 PolarHBondContact O-N 3.2Å; C205-C208 PolarHBondContact O-N 3.48Å; C205-I209 PolarHBondContact O-N 3.42Å; C205-A219 PolarHBondContact SG-O 3.31Å; C205-M222 HydrophobicContact CB-CB 3.99Å
206E95.9Very high93.3Very high66 Ų6660.2 Ų60.231%0.30828%0.279SS..Hα-helixtrans-59.9-45.5177.1177.2176.7-174.800112.4E202 L203 I204 C208 I209 K210 Y276E202-E206 PolarHBondContact O-N 2.92Å; L203-E206 PolarHBondContact O-N 3.35Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.23Å; E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.28Å; E206-I209 PolarHBondContact O-N 2.94Å; E206-I209 VanDerWaalsContact O-N 3.1Å; E206-K210 HydrophobicContact CG-CD 3.74Å; E206-K210 HydrophobicContact CG-CG 4.25Å; E206-K210 WeakPolarHBondContact O-CG 3.34Å; E206-K210 PolarHBondContact O-N 3.2Å; E206-K210 VanDerWaalsContact OE1-CE 3.25Å; E206-K210 WeakPolarHBondContact OE1-CE 3.46Å; E206-K210 IonicContact OE1-NZ 3.86Å; E206-K210 PolarHBondContact OE1-NZ 3.28Å; E206-Y276 WeakPolarHBondContact CA-OH 3.34Å; E206-Y276 VanDerWaalsContact CB-OH 3.25Å; E206-Y276 WeakPolarHBondContact CB-OH 3.46Å; E206-Y276 WeakPolarHBondContact CG-OH 3.27Å
207K94.3Very high93.1Very high95 Ų9560.7 Ų60.741%0.41329%0.285SS..Hα-helixtrans-61-37.9177.9-172.9171.2-178.7173.20112.4L203 I204 C205 I209 Q211L203-K207 WeakPolarHBondContact O-CB 3.35Å; L203-K207 PolarHBondContact O-N 3.18Å; I204-K207 PolarHBondContact O-N 3.46Å; C205-K207 PolarHBondContact O-N 3.2Å; K207-I209 VanDerWaalsContact C-N 3.26Å; K207-I209 PolarHBondContact O-N 2.91Å; K207-Q211 WeakPolarHBondContact O-CB 3.2Å; K207-Q211 WeakPolarHBondContact O-CG 3.46Å; K207-Q211 PolarHBondContact O-N 3.38Å
208C93Very high92.8Very high0 Ų061.1 Ų61.10%029%0.287CS..Hα-helixtrans-65.3-28176.8-70.10000113.2R140 I204 C205 E206 N215 A219R140-C208 PolarHBondContact NH2-SG 3.06Å; I204-C208 PolarHBondContact O-N 2.97Å; I204-C208 PolarHBondContact O-SG 3.35Å; C205-C208 PolarHBondContact O-N 3.48Å; E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.28Å; C208-N215 HydrophobicContact CB-CB 4.49Å; C208-N215 PolarHBondContact O-N 2.91Å; C208-A219 HydrophobicContact CB-CB 3.82Å
209I92.8Very high92.7Very high22 Ų2257.1 Ų57.111%0.11327%0.272CS..Hα-helixtrans-87.7-36.3177.5-64.8-66.4000112C205 E206 K207 M214 E216 A219 F274 Y276C205-I209 PolarHBondContact O-N 3.42Å; E206-I209 PolarHBondContact O-N 2.94Å; E206-I209 VanDerWaalsContact O-N 3.1Å; K207-I209 VanDerWaalsContact C-N 3.26Å; K207-I209 PolarHBondContact O-N 2.91Å; I209-M214 WeakPolarHBondContact O-CG 3.17Å; I209-E216 HydrophobicContact CD1-CB 4.47Å; I209-E216 HydrophobicContact CD1-CG 4.04Å; I209-A219 HydrophobicContact CD1-CB 3.62Å; I209-A219 HydrophobicContact CG1-CB 3.6Å; I209-F274 HydrophobicContact CD1-CZ 4.27Å; I209-Y276 HydrophobicContact CB-CD1 4.44Å; I209-Y276 HydrophobicContact CB-CD2 4.38Å; I209-Y276 HydrophobicContact CB-CE1 4.31Å; I209-Y276 HydrophobicContact CB-CE2 4.24Å; I209-Y276 HydrophobicContact CB-CG 4.48Å; I209-Y276 HydrophobicContact CD1-CD2 4.42Å; I209-Y276 HydrophobicContact CG1-CD2 3.68Å; I209-Y276 HydrophobicContact CG1-CE2 3.79Å; I209-Y276 HydrophobicContact CG1-CG 4.07Å; I209-Y276 HydrophobicContact CG2-CD1 3.75Å; I209-Y276 HydrophobicContact CG2-CD2 4.41Å; I209-Y276 HydrophobicContact CG2-CE1 3.91Å; I209-Y276 HydrophobicContact CG2-CG 4.02Å
210K90.8Very high92.6Very high144 Ų14452.3 Ų52.363%0.62625%0.254SS*.Hα-helixtrans-86.1-12.1-173.3-69.1-172.2175.8-1780115.1E206E206-K210 HydrophobicContact CG-CD 3.74Å; E206-K210 HydrophobicContact CG-CG 4.25Å; E206-K210 WeakPolarHBondContact O-CG 3.34Å; E206-K210 PolarHBondContact O-N 3.2Å; E206-K210 VanDerWaalsContact OE1-CE 3.25Å; E206-K210 WeakPolarHBondContact OE1-CE 3.46Å; E206-K210 IonicContact OE1-NZ 3.86Å; E206-K210 PolarHBondContact OE1-NZ 3.28Å
211Q87.9Confident92.6Very high68 Ų6852.3 Ų52.332%0.31825%0.254SS..SBendtrans-74.8158.8177.866.7-176.514.800111.6K207 D213K207-Q211 WeakPolarHBondContact O-CB 3.2Å; K207-Q211 WeakPolarHBondContact O-CG 3.46Å; K207-Q211 PolarHBondContact O-N 3.38Å; Q211-D213 VanDerWaalsContact C-N 3.28Å; Q211-D213 VanDerWaalsContact CG-O 3.28Å; Q211-D213 WeakPolarHBondContact CG-O 3.07Å; Q211-D213 PolarHBondContact NE2-O 2.85Å; Q211-D213 PolarHBondContact O-N 3.41Å
212Q78.6Confident92.6Very high188 Ų18852.3 Ų52.388%0.87925%0.254SS*.SBendtrans-54.4-43.8-178.8-175.3173.9-9.400112.1M214Q212-M214 PolarHBondContact O-N 3.37Å
213D80.2Confident92.6Very high129 Ų12949.6 Ų49.669%0.6924%0.241SC*.SBendtrans-94.283.2173.7-56.9-46.6000110.2Q211 N215Q211-D213 VanDerWaalsContact C-N 3.28Å; Q211-D213 VanDerWaalsContact CG-O 3.28Å; Q211-D213 WeakPolarHBondContact CG-O 3.07Å; Q211-D213 PolarHBondContact NE2-O 2.85Å; Q211-D213 PolarHBondContact O-N 3.41Å; D213-N215 PolarHBondContact O-N 3.31Å
214M85.1Confident92.6Very high112 Ų11246.9 Ų46.955%0.55223%0.227SC*.  trans-53.2126179.3-72179.338.400111.5I209 Q212 E216I209-M214 WeakPolarHBondContact O-CG 3.17Å; Q212-M214 PolarHBondContact O-N 3.37Å; M214-E216 HydrophobicContact CE-CG 4.12Å
215N89.7Confident92.7Very high57 Ų5747 Ų4731%0.30523%0.227SC..  trans-118.379.4175.4-167.8-27.6000110.1C208 D213 V217 L218 A219C208-N215 HydrophobicContact CB-CB 4.49Å; C208-N215 PolarHBondContact O-N 2.91Å; D213-N215 PolarHBondContact O-N 3.31Å; N215-V217 VanDerWaalsContact C-N 3.27Å; N215-V217 PolarHBondContact O-N 2.91Å; N215-L218 HydrophobicContact CB-CB 4.24Å; N215-L218 VanDerWaalsContact CG-CB 3.46Å; N215-L218 PolarHBondContact O-N 3.41Å; N215-L218 VanDerWaalsContact OD1-CB 3.22Å; N215-L218 WeakPolarHBondContact OD1-CB 3.35Å; N215-L218 PolarHBondContact OD1-N 3.31Å; N215-A219 WeakPolarHBondContact O-CB 3.44Å; N215-A219 PolarHBondContact O-N 2.99Å
216E93.2Very high92.8Very high28 Ų2847 Ų4713%0.13123%0.228CC..Hα-helixtrans-60.8-36-179.6-64.8-170.5-174.400112.5I209 M214 A219 M220 A279 T280 L281I209-E216 HydrophobicContact CD1-CB 4.47Å; I209-E216 HydrophobicContact CD1-CG 4.04Å; M214-E216 HydrophobicContact CE-CG 4.12Å; E216-A219 PolarHBondContact O-N 3.29Å; E216-M220 WeakPolarHBondContact O-CB 3.2Å; E216-M220 PolarHBondContact O-N 3.09Å; E216-A279 HydrophobicContact CG-CB 4.43Å; E216-T280 PolarHBondContact OE1-N 2.98Å; E216-T280 PolarHBondContact OE1-OG1 3.21Å; E216-T280 PolarHBondContact OE2-N 3.28Å; E216-T280 PolarHBondContact OE2-OG1 3Å; E216-L281 HydrophobicContact CB-CB 4.07Å; E216-L281 HydrophobicContact CB-CD2 4.22Å; E216-L281 WeakPolarHBondContact OE2-CB 3.18Å; E216-L281 PolarHBondContact OE2-N 3.25Å
217V92.7Very high92.9Very high46 Ų4645.1 Ų45.128%0.27922%0.221SC..Hα-helixtrans-61.9-52179.2169.80000110.8N215 A219 M220 K221 L281 I308N215-V217 VanDerWaalsContact C-N 3.27Å; N215-V217 PolarHBondContact O-N 2.91Å; V217-A219 VanDerWaalsContact C-N 3.32Å; V217-A219 PolarHBondContact O-N 3.37Å; V217-M220 PolarHBondContact O-N 3.37Å; V217-K221 PolarHBondContact O-N 3.38Å; V217-L281 HydrophobicContact CB-CD2 4.46Å; V217-L281 HydrophobicContact CG2-CD2 4.04Å; V217-I308 HydrophobicContact CG1-CB 4.33Å; V217-I308 HydrophobicContact CG1-CG1 4.32Å; V217-I308 HydrophobicContact CG1-CG2 4.28Å
218L92.8Very high93.1Very high8 Ų840.7 Ų40.74%0.04220%0.202CC..Hα-helixtrans-66-38178.1-169.962.7000110.8F136 N215 K221 M222F136-L218 HydrophobicContact CD2-CD1 4.5Å; F136-L218 HydrophobicContact CD2-CD2 4.1Å; N215-L218 HydrophobicContact CB-CB 4.24Å; N215-L218 VanDerWaalsContact CG-CB 3.46Å; N215-L218 PolarHBondContact O-N 3.41Å; N215-L218 VanDerWaalsContact OD1-CB 3.22Å; N215-L218 WeakPolarHBondContact OD1-CB 3.35Å; N215-L218 PolarHBondContact OD1-N 3.31Å; L218-K221 PolarHBondContact O-N 3.33Å; L218-M222 HydrophobicContact CD1-CE 3.34Å; L218-M222 HydrophobicContact CG-CE 3.9Å; L218-M222 WeakPolarHBondContact O-CG 3.26Å; L218-M222 PolarHBondContact O-N 3.23Å
219A96.1Very high93.4Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-59.6-50.3175.200000112.1C205 C208 I209 N215 E216 V217 K221 M222 H223 F274C205-A219 PolarHBondContact SG-O 3.31Å; C208-A219 HydrophobicContact CB-CB 3.82Å; I209-A219 HydrophobicContact CD1-CB 3.62Å; I209-A219 HydrophobicContact CG1-CB 3.6Å; N215-A219 WeakPolarHBondContact O-CB 3.44Å; N215-A219 PolarHBondContact O-N 2.99Å; E216-A219 PolarHBondContact O-N 3.29Å; V217-A219 VanDerWaalsContact C-N 3.32Å; V217-A219 PolarHBondContact O-N 3.37Å; A219-K221 VanDerWaalsContact C-N 3.29Å; A219-K221 PolarHBondContact O-N 3.15Å; A219-M222 PolarHBondContact O-N 2.99Å; A219-H223 WeakPolarHBondContact O-CB 3.33Å; A219-H223 PolarHBondContact O-N 3.48Å; A219-F274 HydrophobicContact CB-CE2 4.26Å; A219-F274 HydrophobicContact CB-CZ 3.97Å
220M97.1Very high93.6Very high2 Ų240.6 Ų40.61%0.0121%0.206CC..Hα-helixtrans-58.2-42.3176.7-178.95964.700111.4E216 V217 H223 Y224 F274 L281 L282 L285 L304 I308E216-M220 WeakPolarHBondContact O-CB 3.2Å; E216-M220 PolarHBondContact O-N 3.09Å; V217-M220 PolarHBondContact O-N 3.37Å; M220-H223 PolarHBondContact O-N 2.85Å; M220-Y224 WeakPolarHBondContact O-CB 3.37Å; M220-Y224 PolarHBondContact O-N 3.34Å; M220-F274 HydrophobicContact CB-CE2 4.41Å; M220-F274 HydrophobicContact CE-CB 3.74Å; M220-F274 HydrophobicContact CE-CD1 3.5Å; M220-F274 HydrophobicContact CE-CD2 3.69Å; M220-F274 HydrophobicContact CE-CE1 3.93Å; M220-F274 HydrophobicContact CE-CE2 4.13Å; M220-F274 HydrophobicContact CE-CG 3.36Å; M220-F274 HydrophobicContact CE-CZ 4.23Å; M220-F274 HydrophobicContact SD-CB 4.33Å; M220-F274 HydrophobicContact SD-CD2 3.98Å; M220-F274 HydrophobicContact SD-CE2 4.49Å; M220-F274 HydrophobicContact SD-CG 4.13Å; M220-L281 HydrophobicContact CB-CD2 3.82Å; M220-L281 HydrophobicContact CG-CD2 4.32Å; M220-L282 HydrophobicContact CE-CB 4.22Å; M220-L282 HydrophobicContact CE-CD1 4.22Å; M220-L285 HydrophobicContact CE-CD1 3.89Å; M220-L285 HydrophobicContact CG-CD1 4.1Å; M220-L285 HydrophobicContact SD-CD1 4.15Å; M220-L304 HydrophobicContact CG-CD1 3.94Å; M220-L304 HydrophobicContact SD-CD1 4.5Å; M220-I308 HydrophobicContact CG-CD1 4.34Å
221K96.8Very high93.9Very high1 Ų137.3 Ų37.30%0.00419%0.192CC..Hα-helixtrans-60.5-48.2175.4-174-179.5-175.8176.20112.1N134 I168 S170 L173 V217 L218 A219 H223 Y224 I225 I308N134-K221 WeakPolarHBondContact OD1-CD 3.28Å; N134-K221 PolarHBondContact OD1-NZ 3.43Å; I168-K221 WeakPolarHBondContact O-CE 3.47Å; I168-K221 PolarHBondContact O-NZ 3.05Å; S170-K221 WeakPolarHBondContact O-CE 3.43Å; S170-K221 PolarHBondContact O-NZ 3.42Å; L173-K221 HydrophobicContact CD2-CG 4.35Å; V217-K221 PolarHBondContact O-N 3.38Å; L218-K221 PolarHBondContact O-N 3.33Å; A219-K221 VanDerWaalsContact C-N 3.29Å; A219-K221 PolarHBondContact O-N 3.15Å; K221-H223 PolarHBondContact O-N 3.33Å; K221-Y224 PolarHBondContact O-N 3.46Å; K221-I225 HydrophobicContact CG-CD1 4.08Å; K221-I225 WeakPolarHBondContact O-CG1 3.33Å; K221-I225 PolarHBondContact O-N 3.31Å; K221-I308 HydrophobicContact CB-CD1 3.98Å; K221-I308 HydrophobicContact CB-CG2 4.27Å; K221-I308 HydrophobicContact CD-CG2 4.05Å; K221-I308 HydrophobicContact CG-CD1 4.5Å; K221-I308 HydrophobicContact CG-CG2 4.35Å
222M97.8Very high94.4Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-64.5-41.1-179.5-63.7-66.5159.700111.5F136 I168 M201 I204 C205 L218 A219 I225 S226F136-M222 HydrophobicContact CD2-CE 3.69Å; F136-M222 HydrophobicContact CE2-CE 4.08Å; F136-M222 HydrophobicContact CG-CE 4.22Å; I168-M222 HydrophobicContact CG1-SD 4.28Å; I168-M222 HydrophobicContact CG2-CE 3.51Å; I168-M222 HydrophobicContact CG2-SD 4.3Å; M201-M222 HydrophobicContact CE-SD 4.31Å; M201-M222 HydrophobicContact SD-SD 3.63Å; M201-M222 VanDerWaalsContact SD-SD 3.63Å; I204-M222 HydrophobicContact CB-CG 4.36Å; I204-M222 HydrophobicContact CG2-CE 4.35Å; I204-M222 HydrophobicContact CG2-CG 3.75Å; I204-M222 HydrophobicContact CG2-SD 3.95Å; C205-M222 HydrophobicContact CB-CB 3.99Å; L218-M222 HydrophobicContact CD1-CE 3.34Å; L218-M222 HydrophobicContact CG-CE 3.9Å; L218-M222 WeakPolarHBondContact O-CG 3.26Å; L218-M222 PolarHBondContact O-N 3.23Å; A219-M222 PolarHBondContact O-N 2.99Å; M222-I225 PolarHBondContact O-N 3.29Å; M222-S226 WeakPolarHBondContact O-CB 3.5Å; M222-S226 PolarHBondContact O-N 3.49Å
223H98.4Very high95.2Very high14 Ų1425.4 Ų25.47%0.06514%0.138CC..Hα-helixtrans-61.3-44.9172.5172.776.5000112.5A219 M220 K221 I225 S226 C227 C270 K273 F274A219-H223 WeakPolarHBondContact O-CB 3.33Å; A219-H223 PolarHBondContact O-N 3.48Å; M220-H223 PolarHBondContact O-N 2.85Å; K221-H223 PolarHBondContact O-N 3.33Å; H223-I225 PolarHBondContact O-N 2.96Å; H223-S226 PolarHBondContact O-N 3.5Å; H223-S226 PolarHBondContact O-OG 2.81Å; H223-C227 VanDerWaalsContact CE1-SG 3.54Å; H223-C227 PolarHBondContact NE2-SG 3.43Å; H223-C227 PolarHBondContact O-N 3.26Å; H223-C227 PolarHBondContact O-SG 2.95Å; H223-C270 PolarHBondContact CD2-O 3.11Å; H223-C270 PolarHBondContact NE2-O 3.01Å; H223-K273 VanDerWaalsContact CE1-C 3.47Å; H223-K273 PolarHBondContact CE1-O 3.33Å; H223-F274 HydrophobicContact CB-CD2 3.63Å; H223-F274 HydrophobicContact CB-CE2 3.85Å; H223-F274 AromaticContact CD2-CD2 3.67Å; H223-F274 AromaticContact CG-CD2 3.57Å; H223-F274 WeakPolarHBondContact NE2-CA 3.25Å; H223-F274 PolarHBondContact NE2-N 3.08Å
224Y98.6Very high95.9Very high2 Ų222.1 Ų22.11%0.00813%0.125CC..Hα-helixtrans-62.8-43.8177.9177.7-107.5000111.7L173 P175 L178 M220 K221 S226 C227 V228 I267 C270 L304L173-Y224 HydrophobicContact CB-CE1 4.03Å; L173-Y224 HydrophobicContact CD2-CD1 4.46Å; L173-Y224 WeakPolarHBondContact O-CE1 3.48Å; L173-Y224 PolarHBondContact O-OH 3Å; P175-Y224 WeakPolarHBondContact CD-OH 3.45Å; L178-Y224 HydrophobicContact CD1-CD1 4.23Å; L178-Y224 HydrophobicContact CD1-CE1 3.69Å; M220-Y224 WeakPolarHBondContact O-CB 3.37Å; M220-Y224 PolarHBondContact O-N 3.34Å; K221-Y224 PolarHBondContact O-N 3.46Å; Y224-S226 VanDerWaalsContact C-N 3.33Å; Y224-S226 PolarHBondContact O-N 2.9Å; Y224-C227 WeakPolarHBondContact O-CB 3.42Å; Y224-C227 PolarHBondContact O-N 2.98Å; Y224-V228 HydrophobicContact CE1-CG2 4.21Å; Y224-V228 HydrophobicContact CE2-CG2 4.38Å; Y224-V228 WeakPolarHBondContact O-CG2 3.49Å; Y224-V228 PolarHBondContact O-N 2.96Å; Y224-I267 HydrophobicContact CE2-CG1 4.22Å; Y224-I267 HydrophobicContact CE2-CG2 4.26Å; Y224-C270 HydrophobicContact CD2-CB 3.78Å; Y224-C270 HydrophobicContact CE2-CB 4.2Å; Y224-L304 HydrophobicContact CD1-CD2 4.11Å; Y224-L304 HydrophobicContact CD2-CD2 3.67Å; Y224-L304 HydrophobicContact CE1-CD2 4.17Å; Y224-L304 HydrophobicContact CE2-CD2 3.76Å; Y224-L304 HydrophobicContact CG-CD2 3.85Å
225I98.6Very high96.3Very high2 Ų217.8 Ų17.81%0.0110%0.103CC..Hα-helixtrans-60.2-43.6173.1-67.3169.6000110.4I167 M201 K221 M222 H223 C227 V228 L229I167-I225 HydrophobicContact CG2-CD1 4.44Å; I167-I225 HydrophobicContact CG2-CG2 3.74Å; M201-I225 HydrophobicContact CG-CG2 4Å; M201-I225 HydrophobicContact SD-CB 4.49Å; M201-I225 HydrophobicContact SD-CG2 4.01Å; K221-I225 HydrophobicContact CG-CD1 4.08Å; K221-I225 WeakPolarHBondContact O-CG1 3.33Å; K221-I225 PolarHBondContact O-N 3.31Å; M222-I225 PolarHBondContact O-N 3.29Å; H223-I225 PolarHBondContact O-N 2.96Å; I225-C227 VanDerWaalsContact C-N 3.3Å; I225-C227 PolarHBondContact O-N 3.37Å; I225-V228 PolarHBondContact O-N 3.49Å; I225-L229 HydrophobicContact CG2-CD1 3.92Å; I225-L229 HydrophobicContact CG2-CG 4.11Å; I225-L229 VanDerWaalsContact O-CG 3.31Å; I225-L229 WeakPolarHBondContact O-CG 3.3Å; I225-L229 PolarHBondContact O-N 3.16Å
226S98.8Very high96.5Very high4 Ų416.8 Ų16.83%0.02810%0.098CC..Hα-helixtrans-59.6-40.6177.789.70000111.7R198 M222 H223 Y224 L229 G230R198-S226 WeakPolarHBondContact CG-O 3.27Å; M222-S226 WeakPolarHBondContact O-CB 3.5Å; M222-S226 PolarHBondContact O-N 3.49Å; H223-S226 PolarHBondContact O-N 3.5Å; H223-S226 PolarHBondContact O-OG 2.81Å; Y224-S226 VanDerWaalsContact C-N 3.33Å; Y224-S226 PolarHBondContact O-N 2.9Å; S226-L229 PolarHBondContact O-N 3.16Å; S226-G230 PolarHBondContact O-N 2.97Å
227C98.8Very high96.4Very high25 Ų2522.2 Ų22.217%0.16912%0.121CC..Hα-helixtrans-63.2-42.8176.1-67.20000112H223 Y224 I225 G230 K231 C270H223-C227 VanDerWaalsContact CE1-SG 3.54Å; H223-C227 PolarHBondContact NE2-SG 3.43Å; H223-C227 PolarHBondContact O-N 3.26Å; H223-C227 PolarHBondContact O-SG 2.95Å; Y224-C227 WeakPolarHBondContact O-CB 3.42Å; Y224-C227 PolarHBondContact O-N 2.98Å; I225-C227 VanDerWaalsContact C-N 3.3Å; I225-C227 PolarHBondContact O-N 3.37Å; C227-G230 PolarHBondContact O-N 3.45Å; C227-K231 WeakPolarHBondContact O-CB 3.5Å; C227-K231 PolarHBondContact O-N 2.87Å; C227-C270 HydrophobicContact CB-CB 4.01Å; C227-C270 WeakPolarHBondContact CB-SG 3.34Å
228V98.6Very high96Very high3 Ų326.4 Ų26.42%0.01814%0.142CC..Hα-helixtrans-65.2-47176.6177.40000111.2P175 L178 V179 Y224 I225 G230 K231 C232 F266P175-V228 HydrophobicContact CB-CG2 4.49Å; L178-V228 HydrophobicContact CB-CG1 3.81Å; L178-V228 HydrophobicContact CD1-CB 4.44Å; L178-V228 HydrophobicContact CD1-CG1 4.44Å; L178-V228 HydrophobicContact CD1-CG2 3.97Å; V179-V228 HydrophobicContact CG2-CG1 4.08Å; Y224-V228 HydrophobicContact CE1-CG2 4.21Å; Y224-V228 HydrophobicContact CE2-CG2 4.38Å; Y224-V228 WeakPolarHBondContact O-CG2 3.49Å; Y224-V228 PolarHBondContact O-N 2.96Å; I225-V228 PolarHBondContact O-N 3.49Å; V228-G230 VanDerWaalsContact C-N 3.31Å; V228-G230 PolarHBondContact O-N 3.06Å; V228-K231 PolarHBondContact O-N 3.4Å; V228-K231 VanDerWaalsContact O-N 3.14Å; V228-C232 PolarHBondContact O-N 3.45Å; V228-C232 PolarHBondContact O-SG 3.39Å; V228-C232 VanDerWaalsContact O-SG 3.4Å; V228-F266 HydrophobicContact CG2-CE1 3.95Å; V228-F266 HydrophobicContact CG2-CZ 4.16Å
229L98.4Very high95.1Very high2 Ų233 Ų331%0.0117%0.166CC..Hα-helixtrans-61.3-41.1176.4-65.9179.5000111.6L164 I167 V182 L194 C197 R198 M201 I225 S226 K231 C232 G233L164-L229 HydrophobicContact CD1-CD1 4.04Å; I167-L229 HydrophobicContact CD1-CD2 4.22Å; V182-L229 HydrophobicContact CG2-CD2 3.63Å; L194-L229 HydrophobicContact CD2-CB 4.41Å; L194-L229 HydrophobicContact CD2-CD2 3.8Å; C197-L229 HydrophobicContact CB-CD1 3.81Å; R198-L229 HydrophobicContact CB-CB 4.37Å; M201-L229 HydrophobicContact CG-CD1 4.08Å; I225-L229 HydrophobicContact CG2-CD1 3.92Å; I225-L229 HydrophobicContact CG2-CG 4.11Å; I225-L229 VanDerWaalsContact O-CG 3.31Å; I225-L229 WeakPolarHBondContact O-CG 3.3Å; I225-L229 PolarHBondContact O-N 3.16Å; S226-L229 PolarHBondContact O-N 3.16Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-C232 WeakPolarHBondContact O-CB 3.37Å; L229-C232 PolarHBondContact O-N 2.98Å; L229-G233 PolarHBondContact O-N 3.22Å
230G97.7Very high93.3Very high18 Ų1843 Ų4319%0.18621%0.213CC..Hα-helixtrans-59.4-44.4172.800000111.8S226 C227 V228 C232 G233 S234S226-G230 PolarHBondContact O-N 2.97Å; C227-G230 PolarHBondContact O-N 3.45Å; V228-G230 VanDerWaalsContact C-N 3.31Å; V228-G230 PolarHBondContact O-N 3.06Å; G230-C232 PolarHBondContact O-N 3.45Å; G230-G233 PolarHBondContact O-N 3.48Å; G230-S234 PolarHBondContact O-N 2.88Å; G230-S234 PolarHBondContact O-OG 3.47Å; G230-S234 VanDerWaalsContact O-OG 3.09Å
231K97.4Very high91.4Very high74 Ų7445.9 Ų45.932%0.32223%0.228SC..Hα-helixtrans-64.4-39.9177.1-169.960.1173.5179.70112.5C227 V228 L229 F235 L246 F266C227-K231 WeakPolarHBondContact O-CB 3.5Å; C227-K231 PolarHBondContact O-N 2.87Å; V228-K231 PolarHBondContact O-N 3.4Å; V228-K231 VanDerWaalsContact O-N 3.14Å; L229-K231 VanDerWaalsContact C-N 3.34Å; K231-F235 VanDerWaalsContact O-CB 3.31Å; K231-F235 WeakPolarHBondContact O-CB 3.22Å; K231-F235 PolarHBondContact O-N 3.25Å; K231-L246 HydrophobicContact CG-CD1 3.99Å; K231-L246 HydrophobicContact CG-CD2 4.23Å; K231-F266 HydrophobicContact CB-CE2 3.86Å; K231-F266 HydrophobicContact CB-CZ 3.88Å; K231-F266 HydrophobicContact CD-CE2 4.34Å; K231-F266 HydrophobicContact CG-CE2 3.94Å; K231-F266 HydrophobicContact CG-CZ 4.21Å
232C97.1Very high90.7Very high0 Ų053.5 Ų53.50%026%0.261CS..Hα-helixtrans-58.4-48.4170.9-68.30000111.1L194 V228 L229 G230 F235 L236 L243L194-C232 HydrophobicContact CD1-CB 3.76Å; L194-C232 HydrophobicContact CD2-CB 4.23Å; V228-C232 PolarHBondContact O-N 3.45Å; V228-C232 PolarHBondContact O-SG 3.39Å; V228-C232 VanDerWaalsContact O-SG 3.4Å; L229-C232 WeakPolarHBondContact O-CB 3.37Å; L229-C232 PolarHBondContact O-N 2.98Å; G230-C232 PolarHBondContact O-N 3.45Å; C232-F235 PolarHBondContact O-N 3.45Å; C232-L236 WeakPolarHBondContact O-CG 3.37Å; C232-L236 PolarHBondContact O-N 3.39Å; C232-L243 HydrophobicContact CB-CD2 3.9Å
233G95.8Very high90.5Very high7 Ų753.7 Ų53.77%0.07226%0.262CS..Hα-helixtrans-63.6-44.5-178.300000112.7L229 G230 L236 K237L229-G233 PolarHBondContact O-N 3.22Å; G230-G233 PolarHBondContact O-N 3.48Å; G233-L236 PolarHBondContact O-N 3.35Å; G233-K237 WeakPolarHBondContact O-CG 3.44Å; G233-K237 PolarHBondContact O-N 3.42Å; G233-K237 VanDerWaalsContact O-N 3.14Å
234S94.3Very high90.2Very high60 Ų6055.7 Ų55.742%0.4227%0.274SS..Hα-helixtrans-61.1-44.2174.3-57.20000111.7G230 L236 K237 D238G230-S234 PolarHBondContact O-N 2.88Å; G230-S234 PolarHBondContact O-OG 3.47Å; G230-S234 VanDerWaalsContact O-OG 3.09Å; S234-L236 PolarHBondContact O-N 2.99Å; S234-K237 PolarHBondContact O-N 2.97Å; S234-D238 VanDerWaalsContact O-CG 3.29Å; S234-D238 PolarHBondContact O-N 3.34Å; S234-D238 VanDerWaalsContact O-N 3.12Å
235F94.4Very high90Very high21 Ų2156 Ų569%0.09228%0.278CS..Hα-helixtrans-62.8-41.6-179.2-165-86.3000112.3K231 C232 K237 D238 R239 D241 L246K231-F235 VanDerWaalsContact O-CB 3.31Å; K231-F235 WeakPolarHBondContact O-CB 3.22Å; K231-F235 PolarHBondContact O-N 3.25Å; C232-F235 PolarHBondContact O-N 3.45Å; F235-K237 VanDerWaalsContact C-N 3.32Å; F235-K237 PolarHBondContact O-N 3.25Å; F235-D238 PolarHBondContact O-N 3.36Å; F235-R239 PolarHBondContact O-N 3.45Å; F235-R239 VanDerWaalsContact O-N 3.15Å; F235-D241 VanDerWaalsContact CE1-OD1 3.29Å; F235-D241 WeakPolarHBondContact CE1-OD1 3.34Å; F235-L246 HydrophobicContact CB-CB 4.48Å; F235-L246 HydrophobicContact CB-CD2 4.31Å; F235-L246 HydrophobicContact CD1-CB 3.98Å; F235-L246 HydrophobicContact CD2-CB 3.9Å; F235-L246 HydrophobicContact CD2-CD1 4.12Å; F235-L246 HydrophobicContact CD2-CG 4.5Å; F235-L246 HydrophobicContact CE1-CB 4.17Å; F235-L246 HydrophobicContact CE2-CB 4.09Å; F235-L246 HydrophobicContact CG-CB 3.85Å; F235-L246 HydrophobicContact CZ-CB 4.23Å
236L92.9Very high89.9Confident36 Ų3656 Ų5619%0.18828%0.278CS..Hα-helixtrans-69.7-24.4176.7-71.6173.6000113.7V191 L194 C232 G233 S234 L243V191-L236 HydrophobicContact CG2-CB 3.72Å; L194-L236 HydrophobicContact CD1-CD1 3.67Å; C232-L236 WeakPolarHBondContact O-CG 3.37Å; C232-L236 PolarHBondContact O-N 3.39Å; G233-L236 PolarHBondContact O-N 3.35Å; S234-L236 PolarHBondContact O-N 2.99Å; L236-L243 HydrophobicContact CD1-CD2 4.15Å; L236-L243 HydrophobicContact CD1-CG 4.36Å; L236-L243 HydrophobicContact CD2-CD2 4.11Å; L236-L243 HydrophobicContact CD2-CG 4.15Å; L236-L243 HydrophobicContact CG-CD2 3.85Å; L236-L243 HydrophobicContact CG-CG 4.3Å
237K90.8Very high89.8Confident141 Ų14155.9 Ų55.961%0.61328%0.277SS*.Hα-helixtrans-73.4-41.2172.1-74.7178.8-178.2-175.70111.8V191 G233 S234 F235V191-K237 HydrophobicContact CB-CG 4.45Å; V191-K237 HydrophobicContact CG1-CD 3.95Å; V191-K237 HydrophobicContact CG1-CG 3.55Å; V191-K237 HydrophobicContact CG2-CG 3.98Å; G233-K237 WeakPolarHBondContact O-CG 3.44Å; G233-K237 PolarHBondContact O-N 3.42Å; G233-K237 VanDerWaalsContact O-N 3.14Å; S234-K237 PolarHBondContact O-N 2.97Å; F235-K237 VanDerWaalsContact C-N 3.32Å; F235-K237 PolarHBondContact O-N 3.25Å
238D84.5Confident89.6Confident134 Ų13460.2 Ų60.272%0.71729%0.292SS*.Hα-helixtrans-83.9-19.8-170.4-64.1-18.2000113.2S234 F235S234-D238 VanDerWaalsContact O-CG 3.29Å; S234-D238 PolarHBondContact O-N 3.34Å; S234-D238 VanDerWaalsContact O-N 3.12Å; F235-D238 PolarHBondContact O-N 3.36Å
239R73.9Confident89.5Confident146 Ų14662.3 Ų62.355%0.55131%0.307SS*.  trans-140.5139.6-175.2-55.6-168.6177.9-143.9-4.4112.4F235 D241F235-R239 PolarHBondContact O-N 3.45Å; F235-R239 VanDerWaalsContact O-N 3.15Å; R239-D241 WeakPolarHBondContact CB-OD1 3.4Å; R239-D241 WeakPolarHBondContact CD-OD1 3.27Å; R239-D241 PolarHBondContact O-N 3.49Å
240E58.9Low89.5Confident210 Ų21062.3 Ų62.398%0.98131%0.307SS*.SBendtrans-71.5-6172.4-65.2-178.8171.100113.1
241D58.1Low89.5Confident63 Ų6361.7 Ų61.734%0.33730%0.3SS..SBendtrans-79.6137.417772-33.7000111.8F235 R239 G245F235-D241 VanDerWaalsContact CE1-OD1 3.29Å; F235-D241 WeakPolarHBondContact CE1-OD1 3.34Å; R239-D241 WeakPolarHBondContact CB-OD1 3.4Å; R239-D241 WeakPolarHBondContact CD-OD1 3.27Å; R239-D241 PolarHBondContact O-N 3.49Å; D241-G245 WeakPolarHBondContact OD2-CA 3.45Å
242K80.9Confident89.5Confident161 Ų16164.3 Ų64.370%0.731%0.311SS*.  trans-52.4161.1169.4-60.8177.8-178.1179.40109.4D244 G245K242-D244 PolarHBondContact O-N 2.85Å; K242-G245 PolarHBondContact O-N 2.75Å
243L93.3Very high89.4Confident4 Ų464.7 Ų64.72%0.02132%0.315CS..THydrogen-bonded Turntrans-52-6.4-179.2-68.6172.5000116.4V179 V182 K183 C232 L236 G245 L246 V247V179-L243 HydrophobicContact CG1-CB 4.05Å; V179-L243 HydrophobicContact CG1-CD1 4.41Å; V182-L243 HydrophobicContact CB-CD1 4.09Å; V182-L243 HydrophobicContact CG1-CD1 3.5Å; K183-L243 HydrophobicContact CB-CB 4.29Å; K183-L243 HydrophobicContact CB-CD1 4.11Å; K183-L243 HydrophobicContact CG-CB 4.42Å; C232-L243 HydrophobicContact CB-CD2 3.9Å; L236-L243 HydrophobicContact CD1-CD2 4.15Å; L236-L243 HydrophobicContact CD1-CG 4.36Å; L236-L243 HydrophobicContact CD2-CD2 4.11Å; L236-L243 HydrophobicContact CD2-CG 4.15Å; L236-L243 HydrophobicContact CG-CD2 3.85Å; L236-L243 HydrophobicContact CG-CG 4.3Å; L243-G245 VanDerWaalsContact C-N 3.26Å; L243-G245 PolarHBondContact O-N 3.41Å; L243-L246 HydrophobicContact CD2-CD2 4.26Å; L243-L246 WeakPolarHBondContact O-CB 3.26Å; L243-L246 PolarHBondContact O-N 3.39Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L243-V247 WeakPolarHBondContact O-CG2 3.22Å; L243-V247 PolarHBondContact O-N 3.48Å
244D92.8Very high89.3Confident57 Ų5768.2 Ų68.231%0.30533%0.326SS..Hα-helixtrans-49.6-39.9167.8-71.2-75.3000114.1K183 K242 V247 K248K183-D244 WeakPolarHBondContact CE-OD2 3.37Å; K183-D244 IonicContact NZ-OD1 3.27Å; K183-D244 PolarHBondContact NZ-OD1 2.96Å; K183-D244 IonicContact NZ-OD2 2.72Å; K183-D244 PolarHBondContact NZ-OD2 3.16Å; K183-D244 VanDerWaalsContact NZ-OD2 3.15Å; K242-D244 PolarHBondContact O-N 2.85Å; D244-V247 PolarHBondContact O-N 2.9Å; D244-K248 WeakPolarHBondContact O-CG 3.43Å; D244-K248 PolarHBondContact O-N 2.96Å
245G94.1Very high89Confident9 Ų970.9 Ų70.99%0.09334%0.336CS..Hα-helixtrans-64.4-40.8177.100000112.6D241 K242 L243 K248 S249D241-G245 WeakPolarHBondContact OD2-CA 3.45Å; K242-G245 PolarHBondContact O-N 2.75Å; L243-G245 VanDerWaalsContact C-N 3.26Å; L243-G245 PolarHBondContact O-N 3.41Å; G245-K248 PolarHBondContact O-N 3.41Å; G245-S249 WeakPolarHBondContact O-CB 3.33Å; G245-S249 PolarHBondContact O-N 3Å; G245-S249 PolarHBondContact O-OG 3.46Å
246L95.8Very high88.7Confident2 Ų273.4 Ų73.41%0.0136%0.356CS..Hα-helixtrans-65.3-44.6175179.757.2000111V179 K231 F235 L243 K248 S249 L250V179-L246 HydrophobicContact CG1-CD2 4.16Å; V179-L246 HydrophobicContact CG1-CG 4.44Å; V179-L246 HydrophobicContact CG2-CD2 3.89Å; V179-L246 HydrophobicContact CG2-CG 4.34Å; K231-L246 HydrophobicContact CG-CD1 3.99Å; K231-L246 HydrophobicContact CG-CD2 4.23Å; F235-L246 HydrophobicContact CB-CB 4.48Å; F235-L246 HydrophobicContact CB-CD2 4.31Å; F235-L246 HydrophobicContact CD1-CB 3.98Å; F235-L246 HydrophobicContact CD2-CB 3.9Å; F235-L246 HydrophobicContact CD2-CD1 4.12Å; F235-L246 HydrophobicContact CD2-CG 4.5Å; F235-L246 HydrophobicContact CE1-CB 4.17Å; F235-L246 HydrophobicContact CE2-CB 4.09Å; F235-L246 HydrophobicContact CG-CB 3.85Å; F235-L246 HydrophobicContact CZ-CB 4.23Å; L243-L246 HydrophobicContact CD2-CD2 4.26Å; L243-L246 WeakPolarHBondContact O-CB 3.26Å; L243-L246 PolarHBondContact O-N 3.39Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L246-K248 PolarHBondContact O-N 3.49Å; L246-S249 WeakPolarHBondContact O-CB 3.37Å; L246-S249 PolarHBondContact O-N 3.2Å; L246-S249 VanDerWaalsContact O-N 3.1Å; L246-L250 HydrophobicContact CD1-CD1 4.33Å; L246-L250 HydrophobicContact CD1-CG 4.32Å; L246-L250 HydrophobicContact CG-CD1 4.13Å; L246-L250 WeakPolarHBondContact O-CG 3.3Å; L246-L250 PolarHBondContact O-N 3.06Å
247V96.8Very high88.4Confident1 Ų175.2 Ų75.21%0.00637%0.366CS..Hα-helixtrans-59.5-46.1176.2173.40000111.4V176 V179 L243 D244 S249 L250 L251 M348V176-V247 HydrophobicContact CG1-CG1 3.86Å; V179-V247 HydrophobicContact CB-CG2 4.21Å; V179-V247 HydrophobicContact CG1-CG2 3.55Å; L243-V247 WeakPolarHBondContact O-CG2 3.22Å; L243-V247 PolarHBondContact O-N 3.48Å; D244-V247 PolarHBondContact O-N 2.9Å; V247-S249 VanDerWaalsContact C-N 3.27Å; V247-S249 PolarHBondContact O-N 3.12Å; V247-L250 PolarHBondContact O-N 3.42Å; V247-L251 HydrophobicContact CG1-CD1 3.66Å; V247-L251 HydrophobicContact CG1-CG 4.33Å; V247-L251 WeakPolarHBondContact O-CB 3.5Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.31Å; V247-M348 HydrophobicContact CG1-CE 4.07Å; V247-M348 HydrophobicContact CG1-CG 3.75Å; V247-M348 HydrophobicContact CG1-SD 3.51Å; V247-M348 VanDerWaalsContact CG1-SD 3.51Å
248K95.9Very high88.4Confident115 Ų11569.4 Ų69.450%0.535%0.346SS..Hα-helixtrans-59.6-39.1174.6-75.6175.3-179.4172.30111.8D244 G245 L246 L251 K252 F351D244-K248 WeakPolarHBondContact O-CG 3.43Å; D244-K248 PolarHBondContact O-N 2.96Å; G245-K248 PolarHBondContact O-N 3.41Å; L246-K248 PolarHBondContact O-N 3.49Å; K248-L251 PolarHBondContact O-N 3.26Å; K248-K252 WeakPolarHBondContact O-CB 3.45Å; K248-K252 PolarHBondContact O-N 2.96Å; K248-F351 HydrophobicContact CB-CE1 4.29Å; K248-F351 HydrophobicContact CB-CE2 4.47Å; K248-F351 HydrophobicContact CB-CZ 3.99Å; K248-F351 HydrophobicContact CG-CD1 4.39Å; K248-F351 HydrophobicContact CG-CE1 3.98Å; K248-F351 HydrophobicContact CG-CZ 4.15Å; K248-F351 VanDerWaalsContact O-CZ 3.32Å; K248-F351 WeakPolarHBondContact O-CZ 3.25Å
249S96.2Very high88.9Confident47 Ų4764.7 Ų64.733%0.32932%0.319SS..Hα-helixtrans-66.3-40.8178.6-57.50000111.8G245 L246 V247 F262G245-S249 WeakPolarHBondContact O-CB 3.33Å; G245-S249 PolarHBondContact O-N 3Å; G245-S249 PolarHBondContact O-OG 3.46Å; L246-S249 WeakPolarHBondContact O-CB 3.37Å; L246-S249 PolarHBondContact O-N 3.2Å; L246-S249 VanDerWaalsContact O-N 3.1Å; V247-S249 VanDerWaalsContact C-N 3.27Å; V247-S249 PolarHBondContact O-N 3.12Å; S249-F262 WeakPolarHBondContact O-CD1 3.39Å
250L97.8Very high90Very high2 Ų259.4 Ų59.41%0.0130%0.303CS..Hα-helixtrans-68.6-30.9175.2-70.1168.4000113.2P175 V176 V179 L246 V247 P260 F262 Q263 F266P175-L250 HydrophobicContact CB-CD1 4.22Å; P175-L250 HydrophobicContact CB-CD2 4.32Å; P175-L250 HydrophobicContact CG-CD2 4.24Å; V176-L250 HydrophobicContact CG2-CB 3.76Å; V176-L250 HydrophobicContact CG2-CD1 4.38Å; V179-L250 HydrophobicContact CG2-CD1 3.88Å; L246-L250 HydrophobicContact CD1-CD1 4.33Å; L246-L250 HydrophobicContact CD1-CG 4.32Å; L246-L250 HydrophobicContact CG-CD1 4.13Å; L246-L250 WeakPolarHBondContact O-CG 3.3Å; L246-L250 PolarHBondContact O-N 3.06Å; V247-L250 PolarHBondContact O-N 3.42Å; L250-P260 WeakPolarHBondContact O-CB 3.41Å; L250-F262 HydrophobicContact CD2-CD1 3.99Å; L250-F262 HydrophobicContact CD2-CE1 3.85Å; L250-F262 HydrophobicContact CG-CD1 4.46Å; L250-F262 HydrophobicContact CG-CE1 4.28Å; L250-Q263 HydrophobicContact CD2-CB 4.4Å; L250-Q263 HydrophobicContact CD2-CG 4.29Å; L250-Q263 WeakPolarHBondContact O-CB 3.33Å; L250-Q263 PolarHBondContact O-NE2 3.41Å; L250-F266 HydrophobicContact CD2-CD1 4.24Å
251L97.8Very high91.9Very high5 Ų551.2 Ų51.23%0.02627%0.268CS..Hα-helixtrans-86.5-22.5179.5-73.2171.3000113.5V176 V247 K248 G253 T322 M348 F351 T352V176-L251 HydrophobicContact CG1-CD1 4.47Å; V176-L251 HydrophobicContact CG1-CD2 4.43Å; V176-L251 HydrophobicContact CG1-CG 4.44Å; V176-L251 HydrophobicContact CG2-CD2 3.88Å; V176-L251 HydrophobicContact CG2-CG 3.97Å; V247-L251 HydrophobicContact CG1-CD1 3.66Å; V247-L251 HydrophobicContact CG1-CG 4.33Å; V247-L251 WeakPolarHBondContact O-CB 3.5Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.31Å; K248-L251 PolarHBondContact O-N 3.26Å; L251-G253 PolarHBondContact O-N 3.04Å; L251-T322 HydrophobicContact CD1-CG2 3.76Å; L251-T322 HydrophobicContact CD2-CG2 3.87Å; L251-T322 WeakPolarHBondContact CD2-O 3.22Å; L251-T322 HydrophobicContact CG-CG2 4.48Å; L251-M348 HydrophobicContact CD1-CG 3.85Å; L251-F351 HydrophobicContact CB-CE1 4.08Å; L251-F351 HydrophobicContact CB-CZ 4.02Å; L251-F351 HydrophobicContact CD1-CE1 4.47Å; L251-T352 WeakPolarHBondContact O-CG2 3.47Å
252K97Very high93.8Very high129 Ų12951.9 Ų51.956%0.56127%0.268SS*.  trans-60114.4-172.1-174.5178.4178.3-175.30110.7K248 F351K248-K252 WeakPolarHBondContact O-CB 3.45Å; K248-K252 PolarHBondContact O-N 2.96Å; K252-F351 HydrophobicContact CB-CE2 4.31Å; K252-F351 HydrophobicContact CB-CZ 4.48Å
253G95.4Very high94.6Very high8 Ų845 Ų458%0.08224%0.238CC..  trans-81.4155.7176.500000113L251 G258 F259 T352L251-G253 PolarHBondContact O-N 3.04Å; G253-G258 VanDerWaalsContact CA-C 3.49Å; G253-G258 WeakPolarHBondContact CA-O 3.48Å; G253-F259 CarbonylContact C-O 3.57Å; G253-F259 WeakPolarHBondContact CA-O 3.42Å; G253-T352 PolarHBondContact N-OG1 2.85Å
254R94Very high94.8Very high82 Ų8245 Ų4531%0.30924%0.238SC..  trans-70.2151.6165.764.8178.8179.3-164.50.7110.9S256 D257 G258 F259 V261 I294R254-S256 VanDerWaalsContact C-N 3.25Å; R254-S256 WeakPolarHBondContact CD-OG 3.38Å; R254-S256 WeakPolarHBondContact CG-OG 3.3Å; R254-S256 PolarHBondContact NE-OG 3.3Å; R254-S256 PolarHBondContact O-N 3.48Å; R254-D257 WeakPolarHBondContact CD-OD1 3.19Å; R254-D257 WeakPolarHBondContact CG-OD1 3.2Å; R254-D257 IonicContact CZ-OD1 3.73Å; R254-D257 IonicContact CZ-OD2 2.6Å; R254-D257 VanDerWaalsContact NE-CG 3.27Å; R254-D257 IonicContact NE-OD1 2.75Å; R254-D257 PolarHBondContact NE-OD1 3.24Å; R254-D257 IonicContact NE-OD2 3.67Å; R254-D257 PolarHBondContact NE-OD2 3.28Å; R254-D257 IonicContact NH2-OD1 2.85Å; R254-D257 IonicContact NH2-OD2 2.73Å; R254-D257 PolarHBondContact NH2-OD2 2.81Å; R254-G258 VanDerWaalsContact O-CA 3.23Å; R254-G258 WeakPolarHBondContact O-CA 3.17Å; R254-G258 PolarHBondContact O-N 3.26Å; R254-F259 HydrophobicContact CG-CB 4.15Å; R254-F259 PolarHBondContact N-O 3.29Å; R254-V261 HydrophobicContact CB-CG2 4.1Å; R254-V261 HydrophobicContact CG-CG2 4.23Å; R254-I294 PolarHBondContact NH1-O 3.3Å; R254-I294 VanDerWaalsContact NH1-O 3.16Å
255D88.2Confident95.1Very high116 Ų11647.9 Ų47.962%0.6225%0.248SC*.THydrogen-bonded Turntrans-70-18.3-170.8-65.2-43.3000114.6K359D255-K359 PolarHBondContact O-NZ 2.81Å
256S87.6Confident95.3Very high74 Ų7448.2 Ų48.252%0.51725%0.247SC..THydrogen-bonded Turntrans-68.1-55.7179.6500000111.9R254R254-S256 VanDerWaalsContact C-N 3.25Å; R254-S256 WeakPolarHBondContact CD-OG 3.38Å; R254-S256 WeakPolarHBondContact CG-OG 3.3Å; R254-S256 PolarHBondContact NE-OG 3.3Å; R254-S256 PolarHBondContact O-N 3.48Å
257D87Confident95.5Very high74 Ų7448.1 Ų48.140%0.39625%0.246SC..THydrogen-bonded Turntrans-135.5-3.7-16957.213.9000114.1R254 F259R254-D257 WeakPolarHBondContact CD-OD1 3.19Å; R254-D257 WeakPolarHBondContact CG-OD1 3.2Å; R254-D257 IonicContact CZ-OD1 3.73Å; R254-D257 IonicContact CZ-OD2 2.6Å; R254-D257 VanDerWaalsContact NE-CG 3.27Å; R254-D257 IonicContact NE-OD1 2.75Å; R254-D257 PolarHBondContact NE-OD1 3.24Å; R254-D257 IonicContact NE-OD2 3.67Å; R254-D257 PolarHBondContact NE-OD2 3.28Å; R254-D257 IonicContact NH2-OD1 2.85Å; R254-D257 IonicContact NH2-OD2 2.73Å; R254-D257 PolarHBondContact NH2-OD2 2.81Å; D257-F259 VanDerWaalsContact OD1-CB 3.26Å; D257-F259 WeakPolarHBondContact OD1-CB 3.29Å; D257-F259 PolarHBondContact OD1-N 2.87Å
258G91.6Very high95.5Very high18 Ų1848.9 Ų48.919%0.18625%0.249CC..  trans81.58.5-177.600000115G253 R254G253-G258 VanDerWaalsContact CA-C 3.49Å; G253-G258 WeakPolarHBondContact CA-O 3.48Å; R254-G258 VanDerWaalsContact O-CA 3.23Å; R254-G258 WeakPolarHBondContact O-CA 3.17Å; R254-G258 PolarHBondContact O-N 3.26Å
259F94.8Very high95.7Very high35 Ų3547.5 Ų47.515%0.15424%0.244CC..  trans-64130.6-179.6-175.7-92.7000112.2G253 R254 D257 V261 E264 I294 T299G253-F259 CarbonylContact C-O 3.57Å; G253-F259 WeakPolarHBondContact CA-O 3.42Å; R254-F259 HydrophobicContact CG-CB 4.15Å; R254-F259 PolarHBondContact N-O 3.29Å; D257-F259 VanDerWaalsContact OD1-CB 3.26Å; D257-F259 WeakPolarHBondContact OD1-CB 3.29Å; D257-F259 PolarHBondContact OD1-N 2.87Å; F259-V261 VanDerWaalsContact C-N 3.34Å; F259-V261 HydrophobicContact CD1-CG2 3.97Å; F259-V261 PolarHBondContact O-N 2.99Å; F259-E264 HydrophobicContact CE1-CB 3.66Å; F259-E264 HydrophobicContact CE1-CG 3.96Å; F259-E264 HydrophobicContact CZ-CB 3.85Å; F259-E264 HydrophobicContact CZ-CG 3.94Å; F259-I294 HydrophobicContact CD1-CG2 4.29Å; F259-I294 HydrophobicContact CE1-CG2 3.77Å; F259-T299 HydrophobicContact CE2-CG2 4.08Å; F259-T299 HydrophobicContact CZ-CG2 4.39Å
260P96.9Very high95.8Very high35 Ų3545.4 Ų45.423%0.22723%0.23CC..  trans-79.474.5-175.233.3-36.5000112.4L250 F262 Q263 E264L250-P260 WeakPolarHBondContact O-CB 3.41Å; P260-F262 VanDerWaalsContact C-N 3.28Å; P260-F262 PolarHBondContact O-N 3.18Å; P260-F262 VanDerWaalsContact O-N 3.17Å; P260-Q263 HydrophobicContact CB-CB 3.96Å; P260-Q263 HydrophobicContact CG-CB 4.33Å; P260-Q263 VanDerWaalsContact O-CB 3.31Å; P260-Q263 WeakPolarHBondContact O-CB 3.4Å; P260-Q263 PolarHBondContact O-N 3.29Å; P260-E264 PolarHBondContact O-N 2.94Å; P260-E264 VanDerWaalsContact O-N 3.16Å
261V97.6Very high95.8Very high39 Ų3945.5 Ų45.524%0.23623%0.23CC..Hα-helixtrans-53.1-40.4-175.4173.20000113.4R254 F259 Q263 E264 K265 I294R254-V261 HydrophobicContact CB-CG2 4.1Å; R254-V261 HydrophobicContact CG-CG2 4.23Å; F259-V261 VanDerWaalsContact C-N 3.34Å; F259-V261 HydrophobicContact CD1-CG2 3.97Å; F259-V261 PolarHBondContact O-N 2.99Å; V261-Q263 VanDerWaalsContact C-N 3.35Å; V261-E264 PolarHBondContact O-N 3.33Å; V261-K265 HydrophobicContact CG1-CD 4.17Å; V261-K265 HydrophobicContact CG1-CG 4.47Å; V261-K265 WeakPolarHBondContact O-CG 3.48Å; V261-K265 PolarHBondContact O-N 2.94Å; V261-I294 HydrophobicContact CB-CG2 4.48Å; V261-I294 HydrophobicContact CG1-CG2 4.13Å; V261-I294 HydrophobicContact CG2-CG2 4.24Å
262F98.1Very high95.8Very high77 Ų7753 Ų5334%0.33826%0.258SS..Hα-helixtrans-65.2-39.8179.5175.8-107.2000111.9S249 L250 P260 F266S249-F262 WeakPolarHBondContact O-CD1 3.39Å; L250-F262 HydrophobicContact CD2-CD1 3.99Å; L250-F262 HydrophobicContact CD2-CE1 3.85Å; L250-F262 HydrophobicContact CG-CD1 4.46Å; L250-F262 HydrophobicContact CG-CE1 4.28Å; P260-F262 VanDerWaalsContact C-N 3.28Å; P260-F262 PolarHBondContact O-N 3.18Å; P260-F262 VanDerWaalsContact O-N 3.17Å; F262-F266 VanDerWaalsContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CB 3.5Å; F262-F266 PolarHBondContact O-N 3.22Å
263Q98.2Very high95.7Very high15 Ų1552.9 Ų52.97%0.0726%0.258CS..Hα-helixtrans-62.4-49.2176.9-167.5180122.400111.2P175 L250 P260 V261 K265 F266 I267P175-Q263 HydrophobicContact CG-CG 3.46Å; P175-Q263 VanDerWaalsContact CG-CG 3.46Å; L250-Q263 HydrophobicContact CD2-CB 4.4Å; L250-Q263 HydrophobicContact CD2-CG 4.29Å; L250-Q263 WeakPolarHBondContact O-CB 3.33Å; L250-Q263 PolarHBondContact O-NE2 3.41Å; P260-Q263 HydrophobicContact CB-CB 3.96Å; P260-Q263 HydrophobicContact CG-CB 4.33Å; P260-Q263 VanDerWaalsContact O-CB 3.31Å; P260-Q263 WeakPolarHBondContact O-CB 3.4Å; P260-Q263 PolarHBondContact O-N 3.29Å; V261-Q263 VanDerWaalsContact C-N 3.35Å; Q263-K265 PolarHBondContact O-N 3.14Å; Q263-F266 WeakPolarHBondContact O-CB 3.5Å; Q263-F266 PolarHBondContact O-N 2.93Å; Q263-I267 HydrophobicContact CG-CD1 4.18Å; Q263-I267 WeakPolarHBondContact O-CG1 3.33Å; Q263-I267 PolarHBondContact O-N 2.79Å
264E98.2Very high95.9Very high6 Ų652.9 Ų52.93%0.02826%0.255CS..Hα-helixtrans-59.9-45.7179.3179.963.7-170.600111.6F259 P260 V261 F266 I267 R268 I294 A300F259-E264 HydrophobicContact CE1-CB 3.66Å; F259-E264 HydrophobicContact CE1-CG 3.96Å; F259-E264 HydrophobicContact CZ-CB 3.85Å; F259-E264 HydrophobicContact CZ-CG 3.94Å; P260-E264 PolarHBondContact O-N 2.94Å; P260-E264 VanDerWaalsContact O-N 3.16Å; V261-E264 PolarHBondContact O-N 3.33Å; E264-F266 VanDerWaalsContact C-N 3.35Å; E264-F266 PolarHBondContact O-N 3.35Å; E264-I267 PolarHBondContact O-N 2.95Å; E264-R268 WeakPolarHBondContact O-CG 3.35Å; E264-R268 PolarHBondContact O-N 3.47Å; E264-R268 IonicContact OE1-CZ 3.41Å; E264-R268 VanDerWaalsContact OE1-CZ 3.27Å; E264-R268 IonicContact OE1-NE 2.74Å; E264-R268 PolarHBondContact OE1-NE 3.06Å; E264-R268 IonicContact OE1-NH2 3.2Å; E264-R268 PolarHBondContact OE1-NH2 3.01Å; E264-I294 HydrophobicContact CB-CG2 4.38Å; E264-I294 HydrophobicContact CG-CG1 4.33Å; E264-I294 HydrophobicContact CG-CG2 4.05Å; E264-A300 VanDerWaalsContact OE1-CB 3.31Å; E264-A300 WeakPolarHBondContact OE1-CB 3.28Å; E264-A300 PolarHBondContact OE1-N 3Å; E264-A300 PolarHBondContact OE2-N 3.4Å; E264-A300 VanDerWaalsContact OE2-N 3.12Å
265K98.4Very high95.9Very high116 Ų11653 Ų5350%0.50427%0.267SS..Hα-helixtrans-61.1-43.6175.9-74.6-176.3178.4-175.20112.2V261 Q263 R268 E269 I294V261-K265 HydrophobicContact CG1-CD 4.17Å; V261-K265 HydrophobicContact CG1-CG 4.47Å; V261-K265 WeakPolarHBondContact O-CG 3.48Å; V261-K265 PolarHBondContact O-N 2.94Å; Q263-K265 PolarHBondContact O-N 3.14Å; K265-R268 PolarHBondContact O-N 3.28Å; K265-E269 WeakPolarHBondContact O-CB 3.29Å; K265-E269 PolarHBondContact O-N 3.17Å; K265-I294 HydrophobicContact CD-CD1 4.25Å; K265-I294 HydrophobicContact CG-CD1 3.61Å
266F98.7Very high96.3Very high16 Ų1650.2 Ų50.27%0.0725%0.248CC..Hα-helixtrans-61.1-45.3179.2172.7-110.8000111.6P175 V228 K231 L250 F262 Q263 E264 E269 C270P175-F266 HydrophobicContact CB-CD1 4.29Å; P175-F266 HydrophobicContact CB-CE1 4.12Å; V228-F266 HydrophobicContact CG2-CE1 3.95Å; V228-F266 HydrophobicContact CG2-CZ 4.16Å; K231-F266 HydrophobicContact CB-CE2 3.86Å; K231-F266 HydrophobicContact CB-CZ 3.88Å; K231-F266 HydrophobicContact CD-CE2 4.34Å; K231-F266 HydrophobicContact CG-CE2 3.94Å; K231-F266 HydrophobicContact CG-CZ 4.21Å; L250-F266 HydrophobicContact CD2-CD1 4.24Å; F262-F266 VanDerWaalsContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CB 3.5Å; F262-F266 PolarHBondContact O-N 3.22Å; Q263-F266 WeakPolarHBondContact O-CB 3.5Å; Q263-F266 PolarHBondContact O-N 2.93Å; E264-F266 VanDerWaalsContact C-N 3.35Å; E264-F266 PolarHBondContact O-N 3.35Å; F266-E269 WeakPolarHBondContact O-CB 3.37Å; F266-E269 PolarHBondContact O-N 3.35Å; F266-C270 VanDerWaalsContact CZ-SG 3.57Å; F266-C270 PolarHBondContact O-N 3.44Å; F266-C270 PolarHBondContact O-SG 2.93Å
267I98.6Very high96.5Very high0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-64.2-45.8178.3-62.3168.4000110.7P175 Y224 Q263 E264 E269 C270 I271 A300 L301 L304P175-I267 HydrophobicContact CG-CD1 4.2Å; P175-I267 HydrophobicContact CG-CG1 4.35Å; Y224-I267 HydrophobicContact CE2-CG1 4.22Å; Y224-I267 HydrophobicContact CE2-CG2 4.26Å; Q263-I267 HydrophobicContact CG-CD1 4.18Å; Q263-I267 WeakPolarHBondContact O-CG1 3.33Å; Q263-I267 PolarHBondContact O-N 2.79Å; E264-I267 PolarHBondContact O-N 2.95Å; I267-E269 VanDerWaalsContact C-N 3.26Å; I267-E269 PolarHBondContact O-N 3.07Å; I267-C270 WeakPolarHBondContact O-CB 3.4Å; I267-C270 PolarHBondContact O-N 3.38Å; I267-C270 VanDerWaalsContact O-N 3.12Å; I267-I271 HydrophobicContact CG2-CD1 4.16Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 2.99Å; I267-A300 HydrophobicContact CB-CB 4.19Å; I267-A300 HydrophobicContact CG2-CB 3.79Å; I267-L301 HydrophobicContact CD1-CB 3.71Å; I267-L301 HydrophobicContact CD1-CD1 4.03Å; I267-L301 HydrophobicContact CD1-CG 4.31Å; I267-L304 HydrophobicContact CG2-CD2 4.01Å
268R98.6Very high96.6Very high18 Ų1853.6 Ų53.67%0.06827%0.266CS..Hα-helixtrans-58.3-39.1175.5-70.3179.8-179.2-128.23.2112.3E264 K265 R272 I289 V292 A300E264-R268 WeakPolarHBondContact O-CG 3.35Å; E264-R268 PolarHBondContact O-N 3.47Å; E264-R268 IonicContact OE1-CZ 3.41Å; E264-R268 VanDerWaalsContact OE1-CZ 3.27Å; E264-R268 IonicContact OE1-NE 2.74Å; E264-R268 PolarHBondContact OE1-NE 3.06Å; E264-R268 IonicContact OE1-NH2 3.2Å; E264-R268 PolarHBondContact OE1-NH2 3.01Å; K265-R268 PolarHBondContact O-N 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.39Å; R268-R272 VanDerWaalsContact O-N 3.08Å; R268-I289 HydrophobicContact CG-CG2 3.83Å; R268-I289 PolarHBondContact NH1-O 3.42Å; R268-V292 PolarHBondContact NH1-O 3.06Å; R268-V292 PolarHBondContact NH2-O 3.36Å; R268-V292 VanDerWaalsContact NH2-O 3.08Å; R268-A300 HydrophobicContact CG-CB 3.57Å
269E98.3Very high96.8Very high85 Ų8553.1 Ų53.140%0.39726%0.26SS..Hα-helixtrans-65.5-43.4175.3-170.4-172.5159.600111.8K265 F266 I267 I271 R272 K273K265-E269 WeakPolarHBondContact O-CB 3.29Å; K265-E269 PolarHBondContact O-N 3.17Å; F266-E269 WeakPolarHBondContact O-CB 3.37Å; F266-E269 PolarHBondContact O-N 3.35Å; I267-E269 VanDerWaalsContact C-N 3.26Å; I267-E269 PolarHBondContact O-N 3.07Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 3.14Å; E269-R272 PolarHBondContact O-N 2.95Å; E269-K273 HydrophobicContact CG-CD 4.12Å; E269-K273 WeakPolarHBondContact O-CB 3.42Å; E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact OE1-CE 3.27Å; E269-K273 WeakPolarHBondContact OE1-CE 3.49Å; E269-K273 IonicContact OE1-NZ 3.22Å; E269-K273 PolarHBondContact OE1-NZ 3.14Å
270C98.5Very high96.8Very high3 Ų355.3 Ų55.32%0.0228%0.276CS..Hα-helixtrans-57.9-47.5175.9-62.60000111.1H223 Y224 C227 F266 I267 K273 F274H223-C270 PolarHBondContact CD2-O 3.11Å; H223-C270 PolarHBondContact NE2-O 3.01Å; Y224-C270 HydrophobicContact CD2-CB 3.78Å; Y224-C270 HydrophobicContact CE2-CB 4.2Å; C227-C270 HydrophobicContact CB-CB 4.01Å; C227-C270 WeakPolarHBondContact CB-SG 3.34Å; F266-C270 VanDerWaalsContact CZ-SG 3.57Å; F266-C270 PolarHBondContact O-N 3.44Å; F266-C270 PolarHBondContact O-SG 2.93Å; I267-C270 WeakPolarHBondContact O-CB 3.4Å; I267-C270 PolarHBondContact O-N 3.38Å; I267-C270 VanDerWaalsContact O-N 3.12Å; C270-K273 PolarHBondContact O-N 2.88Å; C270-F274 PolarHBondContact O-N 3.07Å
271I98.3Very high96.7Very high5 Ų554.2 Ų54.23%0.02627%0.269CS..Hα-helixtrans-59.6-49178.2-65.3169.1000110.5I267 E269 K273 F274 L282 L285 V286 I289 L304I267-I271 HydrophobicContact CG2-CD1 4.16Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 2.99Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 3.14Å; I271-K273 PolarHBondContact O-N 2.88Å; I271-F274 VanDerWaalsContact O-CB 3.27Å; I271-F274 WeakPolarHBondContact O-CB 3.31Å; I271-F274 PolarHBondContact O-N 2.99Å; I271-F274 VanDerWaalsContact O-N 3.1Å; I271-L282 HydrophobicContact CG2-CD1 3.8Å; I271-L282 WeakPolarHBondContact O-CD1 3.48Å; I271-L285 HydrophobicContact CG2-CB 3.99Å; I271-L285 HydrophobicContact CG2-CD1 4.17Å; I271-V286 HydrophobicContact CG2-CG2 4.31Å; I271-I289 HydrophobicContact CD1-CD1 3.56Å; I271-L304 HydrophobicContact CD1-CB 4.34Å; I271-L304 HydrophobicContact CG1-CD1 4.41Å
272R96.9Very high96.6Very high163 Ų16353.1 Ų53.162%0.61526%0.261SS*.Hα-helixtrans-63.4-28.4178.9-72.9-167.5-14796.6-2.8113.9R268 E269 F274R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.39Å; R268-R272 VanDerWaalsContact O-N 3.08Å; E269-R272 PolarHBondContact O-N 2.95Å; R272-F274 PolarHBondContact O-N 3.21Å
273K96.9Very high96.6Very high125 Ų12553.1 Ų53.154%0.54326%0.262SS..THydrogen-bonded Turntrans-80.2-0.4178-77.5-179.9169.8176.10113.5H223 E269 C270 I271 P275H223-K273 VanDerWaalsContact CE1-C 3.47Å; H223-K273 PolarHBondContact CE1-O 3.33Å; E269-K273 HydrophobicContact CG-CD 4.12Å; E269-K273 WeakPolarHBondContact O-CB 3.42Å; E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact OE1-CE 3.27Å; E269-K273 WeakPolarHBondContact OE1-CE 3.49Å; E269-K273 IonicContact OE1-NZ 3.22Å; E269-K273 PolarHBondContact OE1-NZ 3.14Å; C270-K273 PolarHBondContact O-N 2.88Å; I271-K273 PolarHBondContact O-N 2.88Å; K273-P275 WeakPolarHBondContact O-CD 3.38Å
274F97.9Very high96.5Very high8 Ų858 Ų584%0.03529%0.285CS..  trans-59.4122.9175.9-171.8-116.2000109.7I209 A219 M220 H223 C270 I271 R272 Y276 A279 L282I209-F274 HydrophobicContact CD1-CZ 4.27Å; A219-F274 HydrophobicContact CB-CE2 4.26Å; A219-F274 HydrophobicContact CB-CZ 3.97Å; M220-F274 HydrophobicContact CB-CE2 4.41Å; M220-F274 HydrophobicContact CE-CB 3.74Å; M220-F274 HydrophobicContact CE-CD1 3.5Å; M220-F274 HydrophobicContact CE-CD2 3.69Å; M220-F274 HydrophobicContact CE-CE1 3.93Å; M220-F274 HydrophobicContact CE-CE2 4.13Å; M220-F274 HydrophobicContact CE-CG 3.36Å; M220-F274 HydrophobicContact CE-CZ 4.23Å; M220-F274 HydrophobicContact SD-CB 4.33Å; M220-F274 HydrophobicContact SD-CD2 3.98Å; M220-F274 HydrophobicContact SD-CE2 4.49Å; M220-F274 HydrophobicContact SD-CG 4.13Å; H223-F274 HydrophobicContact CB-CD2 3.63Å; H223-F274 HydrophobicContact CB-CE2 3.85Å; H223-F274 AromaticContact CD2-CD2 3.67Å; H223-F274 AromaticContact CG-CD2 3.57Å; H223-F274 WeakPolarHBondContact NE2-CA 3.25Å; H223-F274 PolarHBondContact NE2-N 3.08Å; C270-F274 PolarHBondContact O-N 3.07Å; I271-F274 VanDerWaalsContact O-CB 3.27Å; I271-F274 WeakPolarHBondContact O-CB 3.31Å; I271-F274 PolarHBondContact O-N 2.99Å; I271-F274 VanDerWaalsContact O-N 3.1Å; R272-F274 PolarHBondContact O-N 3.21Å; F274-Y276 AromaticContact CE1-CD2 3.96Å; F274-Y276 HydrophobicContact CE1-CD2 3.96Å; F274-Y276 HydrophobicContact CE1-CG 4.37Å; F274-Y276 HydrophobicContact CE2-CD2 4.17Å; F274-Y276 AromaticContact CZ-CD2 3.74Å; F274-Y276 HydrophobicContact CZ-CD2 3.74Å; F274-Y276 PolarHBondContact O-N 3.17Å; F274-A279 HydrophobicContact CD1-CB 4.4Å; F274-A279 HydrophobicContact CE1-CB 3.76Å; F274-L282 HydrophobicContact CB-CD1 4.1Å; F274-L282 HydrophobicContact CB-CD2 4.28Å; F274-L282 HydrophobicContact CD1-CB 4.02Å; F274-L282 HydrophobicContact CD1-CD2 4.07Å; F274-L282 HydrophobicContact CD1-CG 4.45Å
275P95.2Very high96.4Very high85 Ų8557.9 Ų57.955%0.55229%0.285SS*.SBendtrans-74.8-9.3-164.625.3-32.1000114.5K273K273-P275 WeakPolarHBondContact O-CD 3.38Å
276Y95.1Very high96.4Very high58 Ų5855 Ų5523%0.22728%0.277CS..  trans-106.886.9-177.1-54-77.9000110.1E206 I209 F274 D278 A279E206-Y276 WeakPolarHBondContact CA-OH 3.34Å; E206-Y276 VanDerWaalsContact CB-OH 3.25Å; E206-Y276 WeakPolarHBondContact CB-OH 3.46Å; E206-Y276 WeakPolarHBondContact CG-OH 3.27Å; I209-Y276 HydrophobicContact CB-CD1 4.44Å; I209-Y276 HydrophobicContact CB-CD2 4.38Å; I209-Y276 HydrophobicContact CB-CE1 4.31Å; I209-Y276 HydrophobicContact CB-CE2 4.24Å; I209-Y276 HydrophobicContact CB-CG 4.48Å; I209-Y276 HydrophobicContact CD1-CD2 4.42Å; I209-Y276 HydrophobicContact CG1-CD2 3.68Å; I209-Y276 HydrophobicContact CG1-CE2 3.79Å; I209-Y276 HydrophobicContact CG1-CG 4.07Å; I209-Y276 HydrophobicContact CG2-CD1 3.75Å; I209-Y276 HydrophobicContact CG2-CD2 4.41Å; I209-Y276 HydrophobicContact CG2-CE1 3.91Å; I209-Y276 HydrophobicContact CG2-CG 4.02Å; F274-Y276 AromaticContact CE1-CD2 3.96Å; F274-Y276 HydrophobicContact CE1-CD2 3.96Å; F274-Y276 HydrophobicContact CE1-CG 4.37Å; F274-Y276 HydrophobicContact CE2-CD2 4.17Å; F274-Y276 AromaticContact CZ-CD2 3.74Å; F274-Y276 HydrophobicContact CZ-CD2 3.74Å; F274-Y276 PolarHBondContact O-N 3.17Å; Y276-D278 PolarHBondContact O-N 3.34Å; Y276-A279 VanDerWaalsContact O-CB 3.27Å; Y276-A279 WeakPolarHBondContact O-CB 3.39Å; Y276-A279 PolarHBondContact O-N 3.33Å
277C92Very high96.3Very high85 Ų8562.9 Ų62.957%0.57431%0.306SS*.THydrogen-bonded Turntrans-62.6-28.1-175.355.20000114.2A279C277-A279 VanDerWaalsContact C-N 3.3Å
278D90.6Very high96.1Very high134 Ų13465.7 Ų65.772%0.71733%0.326SS*.THydrogen-bonded Turntrans-84.4-6.4-178.1-56.4-31.6000112.9Y276 T280Y276-D278 PolarHBondContact O-N 3.34Å; D278-T280 PolarHBondContact O-N 3.18Å
279A94.3Very high96.1Very high7 Ų765.2 Ų65.26%0.05832%0.324CS..  trans-61.3126177.400000110.6E216 F274 Y276 C277 L281 L282 Q283E216-A279 HydrophobicContact CG-CB 4.43Å; F274-A279 HydrophobicContact CD1-CB 4.4Å; F274-A279 HydrophobicContact CE1-CB 3.76Å; Y276-A279 VanDerWaalsContact O-CB 3.27Å; Y276-A279 WeakPolarHBondContact O-CB 3.39Å; Y276-A279 PolarHBondContact O-N 3.33Å; C277-A279 VanDerWaalsContact C-N 3.3Å; A279-L281 VanDerWaalsContact C-N 3.26Å; A279-L281 PolarHBondContact O-N 3.35Å; A279-L282 HydrophobicContact CB-CB 4.25Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-L282 VanDerWaalsContact O-N 3.14Å; A279-Q283 PolarHBondContact O-N 3.38Å
280T94.7Very high95.9Very high81 Ų8164.4 Ų64.450%0.49733%0.333SS..Hα-helixtrans-59.8-39.2-176.460.10000111.9E216 D278 Q283 Q284E216-T280 PolarHBondContact OE1-N 2.98Å; E216-T280 PolarHBondContact OE1-OG1 3.21Å; E216-T280 PolarHBondContact OE2-N 3.28Å; E216-T280 PolarHBondContact OE2-OG1 3Å; D278-T280 PolarHBondContact O-N 3.18Å; T280-Q283 PolarHBondContact O-N 3.23Å; T280-Q284 WeakPolarHBondContact O-CG 3.2Å; T280-Q284 PolarHBondContact O-N 3.47Å
281L95.2Very high95.9Very high13 Ų1369.1 Ų69.17%0.06836%0.363CS..Hα-helixtrans-61.4-44.5177.2-17663000111.9E216 V217 M220 A279 Q283 Q284 L285 A307E216-L281 HydrophobicContact CB-CB 4.07Å; E216-L281 HydrophobicContact CB-CD2 4.22Å; E216-L281 WeakPolarHBondContact OE2-CB 3.18Å; E216-L281 PolarHBondContact OE2-N 3.25Å; V217-L281 HydrophobicContact CB-CD2 4.46Å; V217-L281 HydrophobicContact CG2-CD2 4.04Å; M220-L281 HydrophobicContact CB-CD2 3.82Å; M220-L281 HydrophobicContact CG-CD2 4.32Å; A279-L281 VanDerWaalsContact C-N 3.26Å; A279-L281 PolarHBondContact O-N 3.35Å; L281-Q283 VanDerWaalsContact C-N 3.33Å; L281-Q283 PolarHBondContact O-N 3.27Å; L281-Q284 PolarHBondContact O-N 2.68Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.9Å; L281-A307 HydrophobicContact CD1-CB 3.92Å
282L96.9Very high95.8Very high15 Ų1570 Ų708%0.07937%0.368CS..Hα-helixtrans-61.1-45.5177.3172.764.6000110.6M220 I271 F274 A279 Q284 L285 V286M220-L282 HydrophobicContact CE-CB 4.22Å; M220-L282 HydrophobicContact CE-CD1 4.22Å; I271-L282 HydrophobicContact CG2-CD1 3.8Å; I271-L282 WeakPolarHBondContact O-CD1 3.48Å; F274-L282 HydrophobicContact CB-CD1 4.1Å; F274-L282 HydrophobicContact CB-CD2 4.28Å; F274-L282 HydrophobicContact CD1-CB 4.02Å; F274-L282 HydrophobicContact CD1-CD2 4.07Å; F274-L282 HydrophobicContact CD1-CG 4.45Å; A279-L282 HydrophobicContact CB-CB 4.25Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-L282 VanDerWaalsContact O-N 3.14Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.3Å; L282-L285 PolarHBondContact O-N 3.35Å; L282-V286 HydrophobicContact CD1-CG2 3.84Å; L282-V286 HydrophobicContact CG-CG2 4.34Å; L282-V286 WeakPolarHBondContact O-CB 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.14Å; L282-V286 PolarHBondContact O-N 3.11Å
283Q96.5Very high95.8Very high77 Ų7767.9 Ų67.936%0.3637%0.369SS..Hα-helixtrans-61.1-41.2179.5-64.3179.5500111.5A279 T280 L281 R287A279-Q283 PolarHBondContact O-N 3.38Å; T280-Q283 PolarHBondContact O-N 3.23Å; L281-Q283 VanDerWaalsContact C-N 3.33Å; L281-Q283 PolarHBondContact O-N 3.27Å; Q283-R287 WeakPolarHBondContact O-CB 3.41Å; Q283-R287 WeakPolarHBondContact O-CG 3.32Å; Q283-R287 PolarHBondContact O-N 2.92Å
284Q96.3Very high95.8Very high118 Ų11864.4 Ų64.455%0.55136%0.356SS*.Hα-helixtrans-63-50.5174.6-71.7175-12.900111.9T280 L281 L282 V286 R287 S288T280-Q284 WeakPolarHBondContact O-CG 3.2Å; T280-Q284 PolarHBondContact O-N 3.47Å; L281-Q284 PolarHBondContact O-N 2.68Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.3Å; Q284-V286 VanDerWaalsContact C-N 3.33Å; Q284-V286 PolarHBondContact O-N 3.05Å; Q284-R287 PolarHBondContact O-N 3.23Å; Q284-S288 PolarHBondContact O-N 2.94Å; Q284-S288 PolarHBondContact O-OG 3.21Å
285L97.3Very high95.5Very high3 Ų364.9 Ų64.92%0.01636%0.364CS..Hα-helixtrans-55.9-47177.7-71.1176.1000111.7M220 I271 L281 L282 S288 I289 V303 L304 A307M220-L285 HydrophobicContact CE-CD1 3.89Å; M220-L285 HydrophobicContact CG-CD1 4.1Å; M220-L285 HydrophobicContact SD-CD1 4.15Å; I271-L285 HydrophobicContact CG2-CB 3.99Å; I271-L285 HydrophobicContact CG2-CD1 4.17Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.9Å; L282-L285 PolarHBondContact O-N 3.35Å; L285-S288 PolarHBondContact O-N 2.96Å; L285-I289 WeakPolarHBondContact O-CB 3.21Å; L285-I289 WeakPolarHBondContact O-CD1 3.28Å; L285-I289 VanDerWaalsContact O-CG1 3.25Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.48Å; L285-I289 VanDerWaalsContact O-N 3.09Å; L285-V303 HydrophobicContact CD2-CG1 3.67Å; L285-L304 HydrophobicContact CD1-CD1 4.17Å; L285-A307 HydrophobicContact CD2-CB 3.57Å; L285-A307 HydrophobicContact CG-CB 4.45Å
286V96.9Very high95.4Very high56 Ų5664.9 Ų64.934%0.33936%0.359SS..Hα-helixtrans-65-44.6-179.91720000111I271 L282 Q284 S288 I289 A290I271-V286 HydrophobicContact CG2-CG2 4.31Å; L282-V286 HydrophobicContact CD1-CG2 3.84Å; L282-V286 HydrophobicContact CG-CG2 4.34Å; L282-V286 WeakPolarHBondContact O-CB 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.14Å; L282-V286 PolarHBondContact O-N 3.11Å; Q284-V286 VanDerWaalsContact C-N 3.33Å; Q284-V286 PolarHBondContact O-N 3.05Å; V286-S288 VanDerWaalsContact C-N 3.29Å; V286-S288 PolarHBondContact O-N 3.33Å; V286-I289 PolarHBondContact O-N 3.32Å; V286-A290 HydrophobicContact CG1-CB 4.25Å; V286-A290 WeakPolarHBondContact O-CB 3.43Å; V286-A290 PolarHBondContact O-N 3.28Å
287R96.6Very high95.3Very high181 Ų18168.4 Ų68.468%0.68338%0.382SS*.Hα-helixtrans-60.3-37.8177.2-75.4173.2-172.7178.95.9112.5Q283 Q284 P291Q283-R287 WeakPolarHBondContact O-CB 3.41Å; Q283-R287 WeakPolarHBondContact O-CG 3.32Å; Q283-R287 PolarHBondContact O-N 2.92Å; Q284-R287 PolarHBondContact O-N 3.23Å; R287-P291 WeakPolarHBondContact O-CD 3.3Å
288S96.4Very high95.5Very high60 Ų6066.9 Ų66.942%0.4237%0.371SS..Hα-helixtrans-73.1-32.4178.9-64.40000113.6Q284 L285 V286 V292Q284-S288 PolarHBondContact O-N 2.94Å; Q284-S288 PolarHBondContact O-OG 3.21Å; L285-S288 PolarHBondContact O-N 2.96Å; V286-S288 VanDerWaalsContact C-N 3.29Å; V286-S288 PolarHBondContact O-N 3.33Å; S288-V292 WeakPolarHBondContact O-CG2 3.38Å
289I96.9Very high95.7Very high7 Ų761.8 Ų61.84%0.03635%0.345CS..Hα-helixtrans-102.4-35.6-169.9-60.4164.2000112.5R268 I271 L285 V286 P291 V292 A300 V303R268-I289 HydrophobicContact CG-CG2 3.83Å; R268-I289 PolarHBondContact NH1-O 3.42Å; I271-I289 HydrophobicContact CD1-CD1 3.56Å; L285-I289 WeakPolarHBondContact O-CB 3.21Å; L285-I289 WeakPolarHBondContact O-CD1 3.28Å; L285-I289 VanDerWaalsContact O-CG1 3.25Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.48Å; L285-I289 VanDerWaalsContact O-N 3.09Å; V286-I289 PolarHBondContact O-N 3.32Å; I289-P291 VanDerWaalsContact C-CD 3.46Å; I289-V292 PolarHBondContact O-N 3.23Å; I289-V292 VanDerWaalsContact O-N 3.09Å; I289-A300 HydrophobicContact CD1-CB 4.07Å; I289-A300 HydrophobicContact CG2-CB 4.03Å; I289-V303 HydrophobicContact CD1-CB 3.93Å; I289-V303 HydrophobicContact CD1-CG1 3.99Å; I289-V303 HydrophobicContact CD1-CG2 4.47Å; I289-V303 HydrophobicContact CG1-CB 3.9Å; I289-V303 HydrophobicContact CG1-CG1 3.98Å; I289-V303 HydrophobicContact CG1-CG2 3.9Å
290A95.7Very high95.9Very high69 Ų6961.4 Ų61.457%0.5734%0.342SS*.THydrogen-bonded Turntrans-56.1-41-175.300000115.2V286 V292V286-A290 HydrophobicContact CG1-CB 4.25Å; V286-A290 WeakPolarHBondContact O-CB 3.43Å; V286-A290 PolarHBondContact O-N 3.28Å; A290-V292 VanDerWaalsContact C-N 3.28Å; A290-V292 PolarHBondContact O-N 2.63Å
291P97.3Very high96Very high101 Ų10159 Ų5966%0.65633%0.325SS*.THydrogen-bonded Turntrans-80.6-6.6179.232.5-34.9000113.7R287 I289R287-P291 WeakPolarHBondContact O-CD 3.3Å; I289-P291 VanDerWaalsContact C-CD 3.46Å
292V97Very high95.9Very high23 Ų2359.9 Ų59.914%0.13933%0.333CS..SBendtrans-93121.8-174.8-176.10000110.1R268 S288 I289 A290 N296R268-V292 PolarHBondContact NH1-O 3.06Å; R268-V292 PolarHBondContact NH2-O 3.36Å; R268-V292 VanDerWaalsContact NH2-O 3.08Å; S288-V292 WeakPolarHBondContact O-CG2 3.38Å; I289-V292 PolarHBondContact O-N 3.23Å; I289-V292 VanDerWaalsContact O-N 3.09Å; A290-V292 VanDerWaalsContact C-N 3.28Å; A290-V292 PolarHBondContact O-N 2.63Å; V292-N296 HydrophobicContact CG1-CB 4.06Å
293D96.8Very high95.9Very high119 Ų11959.9 Ų59.964%0.63633%0.333SS*.PPolyproline II helixtrans-61.8147174.9-71.2-43.4000112.6G295 N296D293-G295 PolarHBondContact O-N 3.2Å; D293-N296 PolarHBondContact O-N 2.77Å; D293-N296 VanDerWaalsContact O-N 3.08Å
294I95.6Very high95.9Very high52 Ų5256.2 Ų56.227%0.26732%0.317SS..THydrogen-bonded Turntrans-65.2120.7179.2-66.9176.8000110.4R254 F259 V261 E264 K265R254-I294 PolarHBondContact NH1-O 3.3Å; R254-I294 VanDerWaalsContact NH1-O 3.16Å; F259-I294 HydrophobicContact CD1-CG2 4.29Å; F259-I294 HydrophobicContact CE1-CG2 3.77Å; V261-I294 HydrophobicContact CB-CG2 4.48Å; V261-I294 HydrophobicContact CG1-CG2 4.13Å; V261-I294 HydrophobicContact CG2-CG2 4.24Å; E264-I294 HydrophobicContact CB-CG2 4.38Å; E264-I294 HydrophobicContact CG-CG1 4.33Å; E264-I294 HydrophobicContact CG-CG2 4.05Å; K265-I294 HydrophobicContact CD-CD1 4.25Å; K265-I294 HydrophobicContact CG-CD1 3.61Å
295G91.6Very high95.8Very high19 Ų1952.5 Ų52.520%0.19630%0.302CS..THydrogen-bonded Turntrans105.6-9.2-177.500000113.8D293D293-G295 PolarHBondContact O-N 3.2Å
296N94.7Very high95.5Very high84 Ų8456.9 Ų56.945%0.44932%0.322SS..SBendtrans-99.1157.8173.8-65.6-10.9000110.8V292 D293V292-N296 HydrophobicContact CG1-CB 4.06Å; D293-N296 PolarHBondContact O-N 2.77Å; D293-N296 VanDerWaalsContact O-N 3.08Å
297D92.6Very high95.3Very high132 Ų13255.7 Ų55.771%0.70632%0.318SS*.SBendtrans-84149.6173.9-77.7-59.5000112.4
298P95Very high95Very high53 Ų5347.3 Ų47.334%0.34429%0.287SS..SBendcis-77.4137.1-5.333.4-37.5000112.3V303P298-V303 HydrophobicContact CB-CG2 3.66Å; P298-V303 HydrophobicContact CG-CG2 3.76Å
299T96.2Very high94.6Very high27 Ų2745.4 Ų45.417%0.16627%0.273CS..PPolyproline II helixtrans-64.8155.8172.668.80000112.5F259 L301 S302 V303F259-T299 HydrophobicContact CE2-CG2 4.08Å; F259-T299 HydrophobicContact CZ-CG2 4.39Å; T299-L301 PolarHBondContact O-N 3.1Å; T299-S302 PolarHBondContact N-OG 3.1Å; T299-S302 PolarHBondContact O-N 3.17Å; T299-S302 PolarHBondContact O-OG 3.31Å; T299-S302 WeakPolarHBondContact OG1-CB 3.43Å; T299-S302 PolarHBondContact OG1-N 2.92Å; T299-S302 VanDerWaalsContact OG1-N 3.09Å; T299-S302 PolarHBondContact OG1-OG 3.5Å; T299-S302 VanDerWaalsContact OG1-OG 3.08Å; T299-V303 WeakPolarHBondContact O-CG2 3.21Å; T299-V303 PolarHBondContact O-N 3.01Å; T299-V303 VanDerWaalsContact O-N 3.12Å
300A97.6Very high93.9Very high0 Ų046.4 Ų46.40%029%0.285CS..Hα-helixtrans-60.8-33.4175.500000112.5E264 I267 R268 I289 L304E264-A300 VanDerWaalsContact OE1-CB 3.31Å; E264-A300 WeakPolarHBondContact OE1-CB 3.28Å; E264-A300 PolarHBondContact OE1-N 3Å; E264-A300 PolarHBondContact OE2-N 3.4Å; E264-A300 VanDerWaalsContact OE2-N 3.12Å; I267-A300 HydrophobicContact CB-CB 4.19Å; I267-A300 HydrophobicContact CG2-CB 3.79Å; R268-A300 HydrophobicContact CG-CB 3.57Å; I289-A300 HydrophobicContact CD1-CB 4.07Å; I289-A300 HydrophobicContact CG2-CB 4.03Å; A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 2.84Å
301L96.6Very high93Very high29 Ų2951.1 Ų51.115%0.15230%0.295CS..Hα-helixtrans-65.3-44.5175.7-177.258.5000111.9L173 N174 I267 T299 T305L173-L301 HydrophobicContact CB-CD1 4.38Å; N174-L301 HydrophobicContact CB-CD2 4.21Å; I267-L301 HydrophobicContact CD1-CB 3.71Å; I267-L301 HydrophobicContact CD1-CD1 4.03Å; I267-L301 HydrophobicContact CD1-CG 4.31Å; T299-L301 PolarHBondContact O-N 3.1Å; L301-T305 VanDerWaalsContact O-CB 3.28Å; L301-T305 WeakPolarHBondContact O-CB 3.45Å; L301-T305 PolarHBondContact O-N 3.2Å; L301-T305 PolarHBondContact O-OG1 2.88Å
302S94.4Very high91.8Very high33 Ų3348.2 Ų48.223%0.23128%0.276CS..Hα-helixtrans-66.7-43.7-178.560.20000111.2T299 T305 Q306T299-S302 PolarHBondContact N-OG 3.1Å; T299-S302 PolarHBondContact O-N 3.17Å; T299-S302 PolarHBondContact O-OG 3.31Å; T299-S302 WeakPolarHBondContact OG1-CB 3.43Å; T299-S302 PolarHBondContact OG1-N 2.92Å; T299-S302 VanDerWaalsContact OG1-N 3.09Å; T299-S302 PolarHBondContact OG1-OG 3.5Å; T299-S302 VanDerWaalsContact OG1-OG 3.08Å; S302-T305 PolarHBondContact O-N 2.93Å; S302-Q306 WeakPolarHBondContact O-CB 3.46Å; S302-Q306 VanDerWaalsContact O-CG 3.3Å; S302-Q306 WeakPolarHBondContact O-CG 3.45Å; S302-Q306 PolarHBondContact O-N 3.35Å
303V96.1Very high90.2Very high14 Ų1450.2 Ų50.29%0.08530%0.301CS..Hα-helixtrans-63.2-47.1176.2-177.40000111.2L285 I289 P298 T299 T305 Q306 A307L285-V303 HydrophobicContact CD2-CG1 3.67Å; I289-V303 HydrophobicContact CD1-CB 3.93Å; I289-V303 HydrophobicContact CD1-CG1 3.99Å; I289-V303 HydrophobicContact CD1-CG2 4.47Å; I289-V303 HydrophobicContact CG1-CB 3.9Å; I289-V303 HydrophobicContact CG1-CG1 3.98Å; I289-V303 HydrophobicContact CG1-CG2 3.9Å; P298-V303 HydrophobicContact CB-CG2 3.66Å; P298-V303 HydrophobicContact CG-CG2 3.76Å; T299-V303 WeakPolarHBondContact O-CG2 3.21Å; T299-V303 PolarHBondContact O-N 3.01Å; T299-V303 VanDerWaalsContact O-N 3.12Å; V303-T305 VanDerWaalsContact C-N 3.33Å; V303-T305 PolarHBondContact O-N 3.37Å; V303-Q306 PolarHBondContact O-N 3.42Å; V303-A307 VanDerWaalsContact O-CB 3.3Å; V303-A307 WeakPolarHBondContact O-CB 3.21Å; V303-A307 PolarHBondContact O-N 3.4Å
304L96.3Very high88.8Confident1 Ų153.1 Ų53.11%0.00531%0.309CS..Hα-helixtrans-61.3-42178179.663.7000112L173 M220 Y224 I267 I271 L285 A300 A307 I308L173-L304 HydrophobicContact CD1-CG 4.25Å; M220-L304 HydrophobicContact CG-CD1 3.94Å; M220-L304 HydrophobicContact SD-CD1 4.5Å; Y224-L304 HydrophobicContact CD1-CD2 4.11Å; Y224-L304 HydrophobicContact CD2-CD2 3.67Å; Y224-L304 HydrophobicContact CE1-CD2 4.17Å; Y224-L304 HydrophobicContact CE2-CD2 3.76Å; Y224-L304 HydrophobicContact CG-CD2 3.85Å; I267-L304 HydrophobicContact CG2-CD2 4.01Å; I271-L304 HydrophobicContact CD1-CB 4.34Å; I271-L304 HydrophobicContact CG1-CD1 4.41Å; L285-L304 HydrophobicContact CD1-CD1 4.17Å; A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 2.84Å; L304-A307 PolarHBondContact O-N 3.37Å; L304-I308 HydrophobicContact CD1-CD1 3.61Å; L304-I308 HydrophobicContact CD1-CG1 4.42Å; L304-I308 HydrophobicContact CG-CD1 4.01Å; L304-I308 PolarHBondContact O-N 3.48Å; L304-I308 VanDerWaalsContact O-N 3.15Å
305T93.6Very high87.5Confident40 Ų4055.4 Ų55.425%0.24532%0.319CS..Hα-helixtrans-63.3-52178.6-57.50000110.3L301 S302 V303 A307 I308 T309L301-T305 VanDerWaalsContact O-CB 3.28Å; L301-T305 WeakPolarHBondContact O-CB 3.45Å; L301-T305 PolarHBondContact O-N 3.2Å; L301-T305 PolarHBondContact O-OG1 2.88Å; S302-T305 PolarHBondContact O-N 2.93Å; V303-T305 VanDerWaalsContact C-N 3.33Å; V303-T305 PolarHBondContact O-N 3.37Å; T305-A307 VanDerWaalsContact C-N 3.25Å; T305-A307 PolarHBondContact O-N 2.97Å; T305-I308 PolarHBondContact O-N 3.32Å; T305-T309 HydrophobicContact CG2-CG2 4.2Å; T305-T309 PolarHBondContact O-N 3.17Å; T305-T309 PolarHBondContact O-OG1 3.15Å
306Q91.6Very high86.4Confident95 Ų9562.8 Ų62.844%0.44435%0.354SS..Hα-helixtrans-58.2-38.1178.1-72.3174.46.500112.7S302 V303 I308 G310S302-Q306 WeakPolarHBondContact O-CB 3.46Å; S302-Q306 VanDerWaalsContact O-CG 3.3Å; S302-Q306 WeakPolarHBondContact O-CG 3.45Å; S302-Q306 PolarHBondContact O-N 3.35Å; V303-Q306 PolarHBondContact O-N 3.42Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 2.83Å; Q306-G310 CarbonylContact O-C 3.15Å; Q306-G310 WeakPolarHBondContact O-CA 3.5Å; Q306-G310 PolarHBondContact O-N 3.34Å
307A92.4Very high85.8Confident31 Ų3160.1 Ų60.126%0.25634%0.344SS..Hα-helixtrans-67.8-29.5178.800000113L281 L285 V303 L304 T305L281-A307 HydrophobicContact CD1-CB 3.92Å; L285-A307 HydrophobicContact CD2-CB 3.57Å; L285-A307 HydrophobicContact CG-CB 4.45Å; V303-A307 VanDerWaalsContact O-CB 3.3Å; V303-A307 WeakPolarHBondContact O-CB 3.21Å; V303-A307 PolarHBondContact O-N 3.4Å; L304-A307 PolarHBondContact O-N 3.37Å; T305-A307 VanDerWaalsContact C-N 3.25Å; T305-A307 PolarHBondContact O-N 2.97Å
308I91.1Very high85.7Confident4 Ų457.9 Ų57.92%0.02133%0.329CS..Hα-helixtrans-94.8-38-178.3-70.6168.7000113.1N134 L173 V217 M220 K221 L304 T305 Q306N134-I308 PolarHBondContact ND2-O 3.18Å; N134-I308 WeakPolarHBondContact OD1-CG2 3.37Å; L173-I308 HydrophobicContact CD1-CB 3.94Å; L173-I308 HydrophobicContact CD1-CD1 3.45Å; L173-I308 VanDerWaalsContact CD1-CD1 3.45Å; L173-I308 HydrophobicContact CD1-CG1 4.25Å; L173-I308 HydrophobicContact CD1-CG2 4.06Å; V217-I308 HydrophobicContact CG1-CB 4.33Å; V217-I308 HydrophobicContact CG1-CG1 4.32Å; V217-I308 HydrophobicContact CG1-CG2 4.28Å; M220-I308 HydrophobicContact CG-CD1 4.34Å; K221-I308 HydrophobicContact CB-CD1 3.98Å; K221-I308 HydrophobicContact CB-CG2 4.27Å; K221-I308 HydrophobicContact CD-CG2 4.05Å; K221-I308 HydrophobicContact CG-CD1 4.5Å; K221-I308 HydrophobicContact CG-CG2 4.35Å; L304-I308 HydrophobicContact CD1-CD1 3.61Å; L304-I308 HydrophobicContact CD1-CG1 4.42Å; L304-I308 HydrophobicContact CG-CD1 4.01Å; L304-I308 PolarHBondContact O-N 3.48Å; L304-I308 VanDerWaalsContact O-N 3.15Å; T305-I308 PolarHBondContact O-N 3.32Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 2.83Å
309T86.9Confident85.7Confident20 Ų2059.3 Ų59.312%0.12333%0.33CS..Hα-helixtrans-95.1-10.7-177.464.10000112.8T130 T305T130-T309 HydrophobicContact CG2-CG2 3.79Å; T305-T309 HydrophobicContact CG2-CG2 4.2Å; T305-T309 PolarHBondContact O-N 3.17Å; T305-T309 PolarHBondContact O-OG1 3.15Å
310G83.9Confident85.7Confident29 Ų2958.1 Ų58.130%0.29932%0.323SS..  trans91160.5-171.400000112.2Q306Q306-G310 CarbonylContact O-C 3.15Å; Q306-G310 WeakPolarHBondContact O-CA 3.5Å; Q306-G310 PolarHBondContact O-N 3.34Å
311Q76Confident85.7Confident167 Ų16761.4 Ų61.478%0.7834%0.343SS*.  trans-75.4137.1175.2-68.9-178.6-11.200110.4
312V70.9Confident85.7Confident40 Ų4060 Ų6024%0.24234%0.336CS..  trans-118.6116.7175-1780000106.5H126 F314 M315H126-V312 HydrophobicContact CB-CG2 4.19Å; V312-F314 VanDerWaalsContact CG1-O 3.29Å; V312-F314 WeakPolarHBondContact CG1-O 3.43Å; V312-M315 HydrophobicContact CB-CE 3.55Å; V312-M315 HydrophobicContact CG1-CB 4.49Å; V312-M315 HydrophobicContact CG1-CE 3.89Å; V312-M315 HydrophobicContact CG2-CE 3.82Å
313G64.8Low85.8Confident66 Ų6658.6 Ų58.668%0.6833%0.326SS*.SBendtrans-67.4-37.2-17400000113.5
314F67.1Low85.8Confident180 Ų18058.8 Ų58.879%0.78933%0.331SS*.  trans-134.5126.6177.4-64.6-84.3000109.5V312V312-F314 VanDerWaalsContact CG1-O 3.29Å; V312-F314 WeakPolarHBondContact CG1-O 3.43Å
315M68.9Low85.7Confident99 Ų9961.5 Ų61.549%0.48834%0.343SS..  trans-123.288.7-176.7-166.1167.8-63.600110.1V312 A317 F319V312-M315 HydrophobicContact CB-CE 3.55Å; V312-M315 HydrophobicContact CG1-CB 4.49Å; V312-M315 HydrophobicContact CG1-CE 3.89Å; V312-M315 HydrophobicContact CG2-CE 3.82Å; M315-A317 HydrophobicContact CG-CB 4.4Å; M315-A317 PolarHBondContact O-N 3.37Å; M315-F319 HydrophobicContact CG-CE2 3.95Å; M315-F319 HydrophobicContact CG-CZ 4.16Å; M315-F319 HydrophobicContact SD-CE2 3.33Å; M315-F319 WeakPolarHBondContact SD-CE2 3.5Å; M315-F319 HydrophobicContact SD-CZ 3.26Å; M315-F319 WeakPolarHBondContact SD-CZ 3.48Å
316D68.4Low85.6Confident174 Ų17464 Ų6493%0.9335%0.351SS*.  trans-81.641.7176.8-67.2-22.3000111.9
317A81.8Confident85.5Confident28 Ų2861.8 Ų61.823%0.23135%0.354CS..  trans-129.9134.3-178.700000111.2M315 F319 K326M315-A317 HydrophobicContact CG-CB 4.4Å; M315-A317 PolarHBondContact O-N 3.37Å; A317-F319 HydrophobicContact CB-CE2 4.45Å; A317-F319 WeakPolarHBondContact O-CD2 3.48Å; A317-F319 VanDerWaalsContact O-CE2 3.25Å; A317-F319 WeakPolarHBondContact O-CE2 3.4Å; A317-K326 HydrophobicContact CB-CD 4.18Å; A317-K326 HydrophobicContact CB-CG 3.62Å
318E91Very high85.6Confident86 Ų8660.5 Ų60.540%0.40234%0.343SS..  trans-85.3142.2173.8-68.9-77.8-169.300110.7G327 A328 R331 I339E318-G327 PolarHBondContact O-N 2.93Å; E318-A328 WeakPolarHBondContact CB-O 3.44Å; E318-A328 PolarHBondContact O-N 3.04Å; E318-R331 IonicContact OE1-CZ 3.95Å; E318-R331 IonicContact OE1-NH1 3.86Å; E318-R331 IonicContact OE1-NH2 2.79Å; E318-R331 PolarHBondContact OE1-NH2 3.29Å; E318-I339 HydrophobicContact CB-CD1 3.88Å; E318-I339 HydrophobicContact CG-CD1 4.07Å
319F94Very high85.8Confident83 Ų8368.2 Ų68.236%0.36438%0.379SS..BIsolated β-bridgetrans-112.6135.7-177.7-68.7-89.7000111.5M315 A317 T321 G324 E325 K326 I339M315-F319 HydrophobicContact CG-CE2 3.95Å; M315-F319 HydrophobicContact CG-CZ 4.16Å; M315-F319 HydrophobicContact SD-CE2 3.33Å; M315-F319 WeakPolarHBondContact SD-CE2 3.5Å; M315-F319 HydrophobicContact SD-CZ 3.26Å; M315-F319 WeakPolarHBondContact SD-CZ 3.48Å; A317-F319 HydrophobicContact CB-CE2 4.45Å; A317-F319 WeakPolarHBondContact O-CD2 3.48Å; A317-F319 VanDerWaalsContact O-CE2 3.25Å; A317-F319 WeakPolarHBondContact O-CE2 3.4Å; F319-T321 PolarHBondContact O-N 2.91Å; F319-G324 WeakPolarHBondContact CD1-O 3.13Å; F319-E325 WeakPolarHBondContact CA-O 3.42Å; F319-K326 HydrophobicContact CD1-CB 4.17Å; F319-K326 HydrophobicContact CE1-CB 3.68Å; F319-K326 HydrophobicContact CE1-CG 3.9Å; F319-K326 HydrophobicContact CZ-CB 4.3Å; F319-K326 HydrophobicContact CZ-CG 4Å; F319-I339 WeakPolarHBondContact O-CG2 3.3Å
320C97.1Very high86.1Confident2 Ų273.3 Ų73.31%0.01440%0.399CS..  trans-62.1124.4175.8178.10000110.5T322 C323 G324 E325 A328 I339 C341C320-T322 PolarHBondContact O-N 2.93Å; C320-T322 VanDerWaalsContact O-N 3.08Å; C320-T322 PolarHBondContact SG-N 3.37Å; C320-T322 VanDerWaalsContact SG-N 3.4Å; C320-C323 VanDerWaalsContact SG-SG 3.64Å; C320-G324 WeakPolarHBondContact O-CA 3.48Å; C320-G324 PolarHBondContact O-N 3.3Å; C320-E325 HydrophobicContact CB-CB 4.42Å; C320-E325 PolarHBondContact N-O 3.16Å; C320-A328 HydrophobicContact CB-CB 3.86Å; C320-I339 WeakPolarHBondContact CA-O 3.5Å; C320-C341 WeakPolarHBondContact CB-SG 3.38Å
321T96.1Very high86.7Confident69 Ų6977.8 Ų77.842%0.42341%0.407SS..THydrogen-bonded Turntrans-63.3-20.1179.7-46.40000113.1F319 V338 I339F319-T321 PolarHBondContact O-N 2.91Å; T321-V338 HydrophobicContact CG2-CG1 3.94Å; T321-V338 WeakPolarHBondContact OG1-CG1 3.29Å; T321-I339 PolarHBondContact N-O 3.41Å; T321-I339 PolarHBondContact OG1-N 3.38Å; T321-I339 PolarHBondContact OG1-O 2.96Å
322T97.4Very high87.7Confident0 Ų070 Ų700%037%0.371CS..THydrogen-bonded Turntrans-88.2-54.3-178.8-49.10000113V176 L251 C320 Y340 C345 M348 H349V176-T322 WeakPolarHBondContact CB-O 3.37Å; V176-T322 WeakPolarHBondContact CG1-O 3.45Å; L251-T322 HydrophobicContact CD1-CG2 3.76Å; L251-T322 HydrophobicContact CD2-CG2 3.87Å; L251-T322 WeakPolarHBondContact CD2-O 3.22Å; L251-T322 HydrophobicContact CG-CG2 4.48Å; C320-T322 PolarHBondContact O-N 2.93Å; C320-T322 VanDerWaalsContact O-N 3.08Å; C320-T322 PolarHBondContact SG-N 3.37Å; C320-T322 VanDerWaalsContact SG-N 3.4Å; T322-Y340 VanDerWaalsContact OG1-CD1 3.31Å; T322-Y340 WeakPolarHBondContact OG1-CD1 3.4Å; T322-Y340 VanDerWaalsContact OG1-CE1 3.28Å; T322-Y340 WeakPolarHBondContact OG1-CE1 3.49Å; T322-C345 HydrophobicContact CG2-CB 4.18Å; T322-C345 PolarHBondContact OG1-O 3.44Å; T322-M348 HydrophobicContact CG2-CB 4.3Å; T322-M348 HydrophobicContact CG2-CE 3.37Å; T322-M348 HydrophobicContact CG2-CG 4.47Å; T322-H349 HydrophobicContact CG2-CB 4.08Å; T322-H349 VanDerWaalsContact OG1-CB 3.28Å; T322-H349 WeakPolarHBondContact OG1-CB 3.28Å
323C96.9Very high88.8Confident3 Ų372.9 Ų72.92%0.0239%0.393CS..THydrogen-bonded Turntrans-111.7-2-172.8630000113.1N172 N174 K177 M180 C320 E325 C341 C345N172-C323 PolarHBondContact ND2-O 3.43Å; N172-C323 PolarHBondContact OD1-O 3.42Å; N174-C323 WeakPolarHBondContact CB-O 3.31Å; K177-C323 HydrophobicContact CB-CB 4.37Å; K177-C323 WeakPolarHBondContact CB-O 3.4Å; K177-C323 HydrophobicContact CD-CB 4.33Å; M180-C323 HydrophobicContact SD-CB 3.98Å; C320-C323 VanDerWaalsContact SG-SG 3.64Å; C323-E325 PolarHBondContact O-N 3.1Å; C323-C341 VanDerWaalsContact SG-SG 3.69Å; C323-C345 VanDerWaalsContact SG-SG 3.67Å
324G95.6Very high90.3Very high18 Ų1873.3 Ų73.319%0.18638%0.379CS..  trans67.414.6-178.400000114.6N172 F319 C320N172-G324 VanDerWaalsContact ND2-C 3.27Å; N172-G324 PolarHBondContact ND2-O 3.25Å; F319-G324 WeakPolarHBondContact CD1-O 3.13Å; C320-G324 WeakPolarHBondContact O-CA 3.48Å; C320-G324 PolarHBondContact O-N 3.3Å
325E94.4Very high91.6Very high58 Ų5864.8 Ų64.827%0.27134%0.341SS..  trans-67.9135.9177.2-158.874.9-91.600110.6N172 K177 F319 C320 C323 C341N172-E325 WeakPolarHBondContact ND2-CA 3.38Å; N172-E325 PolarHBondContact ND2-N 2.96Å; K177-E325 VanDerWaalsContact CE-OE2 3.22Å; K177-E325 WeakPolarHBondContact CE-OE2 3.15Å; K177-E325 IonicContact NZ-OE2 3.73Å; K177-E325 PolarHBondContact NZ-OE2 3.45Å; F319-E325 WeakPolarHBondContact CA-O 3.42Å; C320-E325 HydrophobicContact CB-CB 4.42Å; C320-E325 PolarHBondContact N-O 3.16Å; C323-E325 PolarHBondContact O-N 3.1Å; E325-C341 VanDerWaalsContact CB-SG 3.51Å
326K90.9Very high92.9Very high92 Ų9265.6 Ų65.640%0.434%0.342SS..BIsolated β-bridgetrans-69.1146.5173.9-168.9-175.8179.5-169.80110.3D127 A317 F319D127-K326 IonicContact OD1-NZ 3.42Å; D127-K326 PolarHBondContact OD1-NZ 3.38Å; D127-K326 IonicContact OD2-NZ 2.88Å; D127-K326 PolarHBondContact OD2-NZ 3Å; A317-K326 HydrophobicContact CB-CD 4.18Å; A317-K326 HydrophobicContact CB-CG 3.62Å; F319-K326 HydrophobicContact CD1-CB 4.17Å; F319-K326 HydrophobicContact CE1-CB 3.68Å; F319-K326 HydrophobicContact CE1-CG 3.9Å; F319-K326 HydrophobicContact CZ-CB 4.3Å; F319-K326 HydrophobicContact CZ-CG 4Å
327G91Very high94Very high49 Ų4961.1 Ų61.151%0.50532%0.316SS..SBendtrans79.83417700000113.2E318E318-G327 PolarHBondContact O-N 2.93Å
328A94.4Very high94.7Very high3 Ų360.3 Ų60.33%0.02531%0.309CS..  trans-74.5132.9172.600000110.4E318 C320 I339E318-A328 WeakPolarHBondContact CB-O 3.44Å; E318-A328 PolarHBondContact O-N 3.04Å; C320-A328 HydrophobicContact CB-CB 3.86Å; A328-I339 HydrophobicContact CB-CG1 3.99Å; A328-I339 HydrophobicContact CB-CG2 4.16Å; A328-I339 WeakPolarHBondContact O-CD1 3.41Å
329E93.4Very high94.9Very high167 Ų16756.5 Ų56.578%0.7829%0.291SS*.  trans-118.7-21.1-174.3-64.8175.8175.400113.2R331 Y340E329-R331 PolarHBondContact O-N 3.44Å; E329-Y340 PolarHBondContact N-O 3.29Å
330K94.4Very high95.1Very high127 Ų12752.6 Ų52.655%0.55227%0.274SS*.EExtended strand (participates in β ladder)trans-9298.2-170.3-59.9-169.6-174-179.80111.3Y340K330-Y340 WeakPolarHBondContact CB-O 3.47Å; K330-Y340 PolarHBondContact N-O 3.49Å; K330-Y340 PolarHBondContact O-N 2.97Å
331R96Very high95Very high123 Ų12355 Ų5546%0.46429%0.29SS..EExtended strand (participates in β ladder)trans-73.2148.9173.8-63.8-178.1-172.9-75.8-2.6111.4E318 E329 S333 K336 V338 I339E318-R331 IonicContact OE1-CZ 3.95Å; E318-R331 IonicContact OE1-NH1 3.86Å; E318-R331 IonicContact OE1-NH2 2.79Å; E318-R331 PolarHBondContact OE1-NH2 3.29Å; E329-R331 PolarHBondContact O-N 3.44Å; R331-S333 PolarHBondContact O-N 3.34Å; R331-K336 WeakPolarHBondContact CD-O 3.29Å; R331-V338 CarbonylContact C-O 3.55Å; R331-V338 WeakPolarHBondContact CA-O 3.44Å; R331-I339 HydrophobicContact CG-CB 4.37Å; R331-I339 HydrophobicContact CG-CD1 3.81Å; R331-I339 HydrophobicContact CG-CG1 4.02Å
332C96.6Very high95Very high2 Ų252.5 Ų52.51%0.01428%0.278CS..  trans-60.4132.5171.6177.70000110.6I334 K336 V338 Y340 H353C332-I334 PolarHBondContact O-N 3.48Å; C332-I334 PolarHBondContact SG-N 3.15Å; C332-K336 WeakPolarHBondContact O-CA 3.29Å; C332-K336 PolarHBondContact O-N 2.89Å; C332-V338 PolarHBondContact N-O 3.33Å; C332-Y340 HydrophobicContact CB-CE2 4.39Å; C332-H353 VanDerWaalsContact SG-CE1 3.54Å
333S95.3Very high94.9Very high101 Ų10158.4 Ų58.471%0.70631%0.305SS*.THydrogen-bonded Turntrans-62.2-23.9-179.751.90000114.6R331R331-S333 PolarHBondContact O-N 3.34Å
334I95.6Very high94.8Very high76 Ų7661.9 Ų61.939%0.3934%0.335SS..THydrogen-bonded Turntrans-92.5-69.1-177.9-57.9168.7000109.8C332 W350 R364C332-I334 PolarHBondContact O-N 3.48Å; C332-I334 PolarHBondContact SG-N 3.15Å; I334-W350 HydrophobicContact CD1-CH2 4.15Å; I334-R364 PolarHBondContact O-NH1 2.9Å
335C95.1Very high94.9Very high0 Ų061.5 Ų61.50%033%0.329CS..THydrogen-bonded Turntrans-81.5-17.4-173.472.90000114.3M337 H353 C357 L360 Q361 R364C335-M337 WeakPolarHBondContact O-CG 3.32Å; C335-M337 PolarHBondContact O-N 3.08Å; C335-H353 PolarHBondContact SG-NE2 3.14Å; C335-C357 VanDerWaalsContact CB-O 3.27Å; C335-C357 WeakPolarHBondContact CB-O 3.49Å; C335-L360 HydrophobicContact CB-CB 3.86Å; C335-Q361 HydrophobicContact CB-CB 4.29Å; C335-R364 PolarHBondContact O-NH1 2.95Å
336K95.3Very high95Very high117 Ų11761.7 Ų61.751%0.50933%0.33SS..SBendtrans51.6-6.6-175.3-55.7-179.6179.8177.40116.7R331 C332R331-K336 WeakPolarHBondContact CD-O 3.29Å; C332-K336 WeakPolarHBondContact O-CA 3.29Å; C332-K336 PolarHBondContact O-N 2.89Å
337M92.8Very high95.3Very high79 Ų7964 Ų6439%0.38934%0.34SS..SBendtrans-81.2-40.6179.9-68.2-56.6-65.100112.1C335 L360 R364C335-M337 WeakPolarHBondContact O-CG 3.32Å; C335-M337 PolarHBondContact O-N 3.08Å; M337-L360 HydrophobicContact CB-CB 4.41Å; M337-L360 HydrophobicContact CG-CB 4.36Å; M337-R364 HydrophobicContact CG-CB 3.95Å; M337-R364 HydrophobicContact CG-CG 4.4Å; M337-R364 HydrophobicContact SD-CB 3.75Å; M337-R364 HydrophobicContact SD-CG 3.76Å
338V94.8Very high95.5Very high11 Ų1163.5 Ų63.57%0.06733%0.325CS..  trans-87.7133.9-176.6-1750000110.1T321 R331 C332 Y340 H353 L360T321-V338 HydrophobicContact CG2-CG1 3.94Å; T321-V338 WeakPolarHBondContact OG1-CG1 3.29Å; R331-V338 CarbonylContact C-O 3.55Å; R331-V338 WeakPolarHBondContact CA-O 3.44Å; C332-V338 PolarHBondContact N-O 3.33Å; V338-Y340 HydrophobicContact CB-CE2 4.41Å; V338-Y340 HydrophobicContact CG1-CE1 3.96Å; V338-Y340 HydrophobicContact CG1-CE2 3.82Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.4Å; V338-Y340 WeakPolarHBondContact CG1-OH 3.34Å; V338-H353 WeakPolarHBondContact CG2-NE2 3.42Å; V338-L360 HydrophobicContact CG2-CD1 3.67Å
339I96.7Very high95.6Very high6 Ų664.1 Ų64.13%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-122.9145.7-175.1-161.9160.8000112.7E318 F319 C320 T321 A328 R331E318-I339 HydrophobicContact CB-CD1 3.88Å; E318-I339 HydrophobicContact CG-CD1 4.07Å; F319-I339 WeakPolarHBondContact O-CG2 3.3Å; C320-I339 WeakPolarHBondContact CA-O 3.5Å; T321-I339 PolarHBondContact N-O 3.41Å; T321-I339 PolarHBondContact OG1-N 3.38Å; T321-I339 PolarHBondContact OG1-O 2.96Å; A328-I339 HydrophobicContact CB-CG1 3.99Å; A328-I339 HydrophobicContact CB-CG2 4.16Å; A328-I339 WeakPolarHBondContact O-CD1 3.41Å; R331-I339 HydrophobicContact CG-CB 4.37Å; R331-I339 HydrophobicContact CG-CD1 3.81Å; R331-I339 HydrophobicContact CG-CG1 4.02Å
340Y97.5Very high95.8Very high2 Ų260.5 Ų60.51%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-134.5152-173.9-55.4-76.8000111.9T322 E329 K330 C332 V338 G342 C345 Q346 H349 H353T322-Y340 VanDerWaalsContact OG1-CD1 3.31Å; T322-Y340 WeakPolarHBondContact OG1-CD1 3.4Å; T322-Y340 VanDerWaalsContact OG1-CE1 3.28Å; T322-Y340 WeakPolarHBondContact OG1-CE1 3.49Å; E329-Y340 PolarHBondContact N-O 3.29Å; K330-Y340 WeakPolarHBondContact CB-O 3.47Å; K330-Y340 PolarHBondContact N-O 3.49Å; K330-Y340 PolarHBondContact O-N 2.97Å; C332-Y340 HydrophobicContact CB-CE2 4.39Å; V338-Y340 HydrophobicContact CB-CE2 4.41Å; V338-Y340 HydrophobicContact CG1-CE1 3.96Å; V338-Y340 HydrophobicContact CG1-CE2 3.82Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.4Å; V338-Y340 WeakPolarHBondContact CG1-OH 3.34Å; Y340-G342 PolarHBondContact O-N 3.39Å; Y340-C345 HydrophobicContact CD1-CB 4.1Å; Y340-Q346 HydrophobicContact CD1-CB 4.22Å; Y340-Q346 HydrophobicContact CD2-CB 3.91Å; Y340-Q346 HydrophobicContact CD2-CG 4.04Å; Y340-Q346 HydrophobicContact CE1-CB 4.4Å; Y340-Q346 HydrophobicContact CE2-CB 4.11Å; Y340-Q346 HydrophobicContact CE2-CG 3.84Å; Y340-Q346 HydrophobicContact CG-CB 3.96Å; Y340-H349 HydrophobicContact CE1-CB 3.87Å; Y340-H349 AromaticContact CE1-ND1 3.51Å; Y340-H349 AromaticContact CZ-ND1 3.69Å; Y340-H349 PolarHBondContact OH-ND1 3.03Å; Y340-H353 PolarHBondContact OH-ND1 3.32Å
341C96Very high95.9Very high53 Ų5357.2 Ų57.236%0.35829%0.292SS..SBendtrans-63-36.2165.3-51.50000111.5C320 C323 E325C320-C341 WeakPolarHBondContact CB-SG 3.38Å; C323-C341 VanDerWaalsContact SG-SG 3.69Å; E325-C341 VanDerWaalsContact CB-SG 3.51Å
342G95.8Very high95.9Very high16 Ų1651.7 Ų51.717%0.16527%0.272CS..SBendtrans-174.9174.9-164.600000114Y340 A344 C345 Q346Y340-G342 PolarHBondContact O-N 3.39Å; G342-A344 PolarHBondContact O-N 3.11Å; G342-C345 PolarHBondContact O-N 3.4Å; G342-Q346 PolarHBondContact O-N 3.29Å; G342-Q346 VanDerWaalsContact O-N 3.12Å
343Q95.1Very high95.8Very high123 Ų12351.7 Ų51.758%0.57527%0.272SS*.Hα-helixtrans-60.6-31.3-179.5-163.9-172.922.500112.5Q346 K347Q343-Q346 PolarHBondContact O-N 3.03Å; Q343-K347 HydrophobicContact CG-CD 4.3Å; Q343-K347 HydrophobicContact CG-CG 4.43Å; Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.41Å; Q343-K347 PolarHBondContact O-N 3.33Å
344A95.1Very high95.8Very high77 Ų7752.6 Ų52.664%0.63626%0.263SS*.Hα-helixtrans-61.8-51.1177.100000111.9G342 Q346 K347 M348G342-A344 PolarHBondContact O-N 3.11Å; A344-Q346 VanDerWaalsContact C-N 3.35Å; A344-Q346 PolarHBondContact O-N 3Å; A344-K347 PolarHBondContact O-N 3.28Å; A344-M348 WeakPolarHBondContact O-CB 3.42Å; A344-M348 PolarHBondContact O-N 2.82Å
345C97.3Very high95.8Very high10 Ų1054.9 Ų54.97%0.06827%0.27CS..Hα-helixtrans-62.4-42.7176.3-76.40000111.5T322 C323 Y340 G342 K347 M348 H349T322-C345 HydrophobicContact CG2-CB 4.18Å; T322-C345 PolarHBondContact OG1-O 3.44Å; C323-C345 VanDerWaalsContact SG-SG 3.67Å; Y340-C345 HydrophobicContact CD1-CB 4.1Å; G342-C345 PolarHBondContact O-N 3.4Å; C345-K347 PolarHBondContact O-N 3.43Å; C345-M348 PolarHBondContact O-N 3.29Å; C345-H349 WeakPolarHBondContact O-CB 3.3Å; C345-H349 PolarHBondContact O-N 3.25Å
346Q96.5Very high95.8Very high62 Ų6255.4 Ų55.429%0.2927%0.273SS..Hα-helixtrans-57.4-50.9176-174.6-175.88.100111.8Y340 G342 Q343 A344 M348 H349 W350Y340-Q346 HydrophobicContact CD1-CB 4.22Å; Y340-Q346 HydrophobicContact CD2-CB 3.91Å; Y340-Q346 HydrophobicContact CD2-CG 4.04Å; Y340-Q346 HydrophobicContact CE1-CB 4.4Å; Y340-Q346 HydrophobicContact CE2-CB 4.11Å; Y340-Q346 HydrophobicContact CE2-CG 3.84Å; Y340-Q346 HydrophobicContact CG-CB 3.96Å; G342-Q346 PolarHBondContact O-N 3.29Å; G342-Q346 VanDerWaalsContact O-N 3.12Å; Q343-Q346 PolarHBondContact O-N 3.03Å; A344-Q346 VanDerWaalsContact C-N 3.35Å; A344-Q346 PolarHBondContact O-N 3Å; Q346-M348 VanDerWaalsContact C-N 3.28Å; Q346-M348 PolarHBondContact O-N 2.88Å; Q346-H349 PolarHBondContact O-N 2.97Å; Q346-W350 VanDerWaalsContact O-CB 3.28Å; Q346-W350 WeakPolarHBondContact O-CB 3.41Å; Q346-W350 PolarHBondContact O-N 2.9Å
347K95.9Very high95.8Very high141 Ų14150 Ų5061%0.61325%0.251SS*.Hα-helixtrans-58.7-40.9178.5-77175.1176.61740111.8Q343 A344 C345 W350Q343-K347 HydrophobicContact CG-CD 4.3Å; Q343-K347 HydrophobicContact CG-CG 4.43Å; Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.41Å; Q343-K347 PolarHBondContact O-N 3.33Å; A344-K347 PolarHBondContact O-N 3.28Å; C345-K347 PolarHBondContact O-N 3.43Å; K347-W350 PolarHBondContact O-N 3.06Å
348M95.8Very high95.9Very high37 Ų3753.1 Ų53.118%0.18226%0.262CS..Hα-helixtrans-68.5-33.7-178.8-167.6161.968.800113.1V176 M180 V247 L251 T322 A344 C345 Q346 F351V176-M348 HydrophobicContact CG1-CE 4.02Å; M180-M348 HydrophobicContact CE-CE 4.02Å; M180-M348 HydrophobicContact CG-CE 4.2Å; M180-M348 HydrophobicContact SD-CE 3.55Å; M180-M348 VanDerWaalsContact SD-CE 3.55Å; V247-M348 HydrophobicContact CG1-CE 4.07Å; V247-M348 HydrophobicContact CG1-CG 3.75Å; V247-M348 HydrophobicContact CG1-SD 3.51Å; V247-M348 VanDerWaalsContact CG1-SD 3.51Å; L251-M348 HydrophobicContact CD1-CG 3.85Å; T322-M348 HydrophobicContact CG2-CB 4.3Å; T322-M348 HydrophobicContact CG2-CE 3.37Å; T322-M348 HydrophobicContact CG2-CG 4.47Å; A344-M348 WeakPolarHBondContact O-CB 3.42Å; A344-M348 PolarHBondContact O-N 2.82Å; C345-M348 PolarHBondContact O-N 3.29Å; Q346-M348 VanDerWaalsContact C-N 3.28Å; Q346-M348 PolarHBondContact O-N 2.88Å; M348-F351 WeakPolarHBondContact O-CD1 3.47Å; M348-F351 WeakPolarHBondContact O-CE1 3.18Å
349H97.1Very high95.8Very high16 Ų1657.8 Ų57.87%0.07428%0.281CS..Hα-helixtrans-89.9-19.5177.7-176.6-135.4000113.7T322 Y340 C345 Q346 F351 T352 H353T322-H349 HydrophobicContact CG2-CB 4.08Å; T322-H349 VanDerWaalsContact OG1-CB 3.28Å; T322-H349 WeakPolarHBondContact OG1-CB 3.28Å; Y340-H349 HydrophobicContact CE1-CB 3.87Å; Y340-H349 AromaticContact CE1-ND1 3.51Å; Y340-H349 AromaticContact CZ-ND1 3.69Å; Y340-H349 PolarHBondContact OH-ND1 3.03Å; C345-H349 WeakPolarHBondContact O-CB 3.3Å; C345-H349 PolarHBondContact O-N 3.25Å; Q346-H349 PolarHBondContact O-N 2.97Å; H349-F351 PolarHBondContact O-N 2.93Å; H349-F351 VanDerWaalsContact O-N 3.08Å; H349-T352 WeakPolarHBondContact CD2-CG2 3.35Å; H349-T352 VanDerWaalsContact O-CG2 3.26Å; H349-T352 WeakPolarHBondContact O-CG2 3.36Å; H349-T352 PolarHBondContact O-N 3.19Å; H349-T352 VanDerWaalsContact O-N 3.14Å; H349-H353 PolarHBondContact O-N 2.67Å; H349-H353 VanDerWaalsContact O-N 3.09Å
350W96.6Very high95.7Very high91 Ų9159 Ų5935%0.34529%0.287SS..Hα-helixtrans-56.1-35-169.8-175.1-121.4000114.4I334 Q346 K347 T352 H353 K354I334-W350 HydrophobicContact CD1-CH2 4.15Å; Q346-W350 VanDerWaalsContact O-CB 3.28Å; Q346-W350 WeakPolarHBondContact O-CB 3.41Å; Q346-W350 PolarHBondContact O-N 2.9Å; K347-W350 PolarHBondContact O-N 3.06Å; W350-T352 PolarHBondContact O-N 3.01Å; W350-T352 VanDerWaalsContact O-N 3.16Å; W350-H353 HydrophobicContact CE3-CB 4.38Å; W350-H353 AromaticContact CE3-ND1 3.6Å; W350-H353 AromaticContact CZ3-CE1 3.93Å; W350-H353 AromaticContact CZ3-ND1 3.52Å; W350-H353 PolarHBondContact O-N 3.47Å; W350-K354 HydrophobicContact CD2-CB 3.98Å; W350-K354 HydrophobicContact CE3-CB 4.29Å; W350-K354 HydrophobicContact CH2-CB 4Å; W350-K354 HydrophobicContact CZ2-CB 3.68Å; W350-K354 HydrophobicContact CZ3-CB 4.3Å; W350-K354 VanDerWaalsContact O-CB 3.3Å; W350-K354 WeakPolarHBondContact O-CB 3.23Å; W350-K354 VanDerWaalsContact O-CG 3.25Å; W350-K354 WeakPolarHBondContact O-CG 3.31Å; W350-K354 PolarHBondContact O-N 3.45Å
351F96.4Very high95.6Very high59 Ų5961.5 Ų61.526%0.25930%0.299SS..Hα-helixtrans-57.9-31.7-177.877.2-83.3000113.5K248 L251 K252 M348 H349 K354K248-F351 HydrophobicContact CB-CE1 4.29Å; K248-F351 HydrophobicContact CB-CE2 4.47Å; K248-F351 HydrophobicContact CB-CZ 3.99Å; K248-F351 HydrophobicContact CG-CD1 4.39Å; K248-F351 HydrophobicContact CG-CE1 3.98Å; K248-F351 HydrophobicContact CG-CZ 4.15Å; K248-F351 VanDerWaalsContact O-CZ 3.32Å; K248-F351 WeakPolarHBondContact O-CZ 3.25Å; L251-F351 HydrophobicContact CB-CE1 4.08Å; L251-F351 HydrophobicContact CB-CZ 4.02Å; L251-F351 HydrophobicContact CD1-CE1 4.47Å; K252-F351 HydrophobicContact CB-CE2 4.31Å; K252-F351 HydrophobicContact CB-CZ 4.48Å; M348-F351 WeakPolarHBondContact O-CD1 3.47Å; M348-F351 WeakPolarHBondContact O-CE1 3.18Å; H349-F351 PolarHBondContact O-N 2.93Å; H349-F351 VanDerWaalsContact O-N 3.08Å; F351-K354 WeakPolarHBondContact O-CE 3.36Å
352T96.2Very high95.6Very high7 Ų763.7 Ų63.74%0.04330%0.304CS..Hα-helixtrans-97.8-42.6176.8-170.20000111.1L251 G253 H349 W350 K354 K355L251-T352 WeakPolarHBondContact O-CG2 3.47Å; G253-T352 PolarHBondContact N-OG1 2.85Å; H349-T352 WeakPolarHBondContact CD2-CG2 3.35Å; H349-T352 VanDerWaalsContact O-CG2 3.26Å; H349-T352 WeakPolarHBondContact O-CG2 3.36Å; H349-T352 PolarHBondContact O-N 3.19Å; H349-T352 VanDerWaalsContact O-N 3.14Å; W350-T352 PolarHBondContact O-N 3.01Å; W350-T352 VanDerWaalsContact O-N 3.16Å; T352-K354 VanDerWaalsContact C-N 3.32Å; T352-K354 PolarHBondContact O-N 3.32Å; T352-K355 WeakPolarHBondContact O-CB 3.33Å; T352-K355 PolarHBondContact O-N 2.9Å; T352-K355 VanDerWaalsContact O-N 3.17Å
353H95.4Very high95.5Very high1 Ų167.6 Ų67.61%0.00532%0.318CS..Hα-helixtrans-59-41.2-178.5174.4-144.4000112.6C332 C335 V338 Y340 H349 W350 K355 V356 C357C332-H353 VanDerWaalsContact SG-CE1 3.54Å; C335-H353 PolarHBondContact SG-NE2 3.14Å; V338-H353 WeakPolarHBondContact CG2-NE2 3.42Å; Y340-H353 PolarHBondContact OH-ND1 3.32Å; H349-H353 PolarHBondContact O-N 2.67Å; H349-H353 VanDerWaalsContact O-N 3.09Å; W350-H353 HydrophobicContact CE3-CB 4.38Å; W350-H353 AromaticContact CE3-ND1 3.6Å; W350-H353 AromaticContact CZ3-CE1 3.93Å; W350-H353 AromaticContact CZ3-ND1 3.52Å; W350-H353 PolarHBondContact O-N 3.47Å; H353-K355 PolarHBondContact O-N 3.28Å; H353-V356 WeakPolarHBondContact O-CG2 3.31Å; H353-V356 PolarHBondContact O-N 2.95Å; H353-C357 PolarHBondContact NE2-SG 2.9Å; H353-C357 VanDerWaalsContact NE2-SG 3.41Å; H353-C357 WeakPolarHBondContact O-CB 3.34Å; H353-C357 PolarHBondContact O-N 2.9Å
354K95.4Very high95.5Very high120 Ų12062.9 Ų62.952%0.52230%0.295SS..Hα-helixtrans-54.7-26.1-178.971.3-175.4-178.6172.80113.9W350 F351 T352W350-K354 HydrophobicContact CD2-CB 3.98Å; W350-K354 HydrophobicContact CE3-CB 4.29Å; W350-K354 HydrophobicContact CH2-CB 4Å; W350-K354 HydrophobicContact CZ2-CB 3.68Å; W350-K354 HydrophobicContact CZ3-CB 4.3Å; W350-K354 VanDerWaalsContact O-CB 3.3Å; W350-K354 WeakPolarHBondContact O-CB 3.23Å; W350-K354 VanDerWaalsContact O-CG 3.25Å; W350-K354 WeakPolarHBondContact O-CG 3.31Å; W350-K354 PolarHBondContact O-N 3.45Å; F351-K354 WeakPolarHBondContact O-CE 3.36Å; T352-K354 VanDerWaalsContact C-N 3.32Å; T352-K354 PolarHBondContact O-N 3.32Å
355K95Very high95.5Very high124 Ų12463.2 Ų63.254%0.53928%0.284SS..Hα-helixtrans-74.6-29.6179.5-58.6-176.8175.6-1700113.1T352 H353T352-K355 WeakPolarHBondContact O-CB 3.33Å; T352-K355 PolarHBondContact O-N 2.9Å; T352-K355 VanDerWaalsContact O-N 3.17Å; H353-K355 PolarHBondContact O-N 3.28Å
356V94.4Very high95.4Very high11 Ų1169 Ų697%0.06731%0.308CS..Hα-helixtrans-110.9-10.4-177-62.10000112.9H353 K358 K359 L360H353-V356 WeakPolarHBondContact O-CG2 3.31Å; H353-V356 PolarHBondContact O-N 2.95Å; V356-K358 VanDerWaalsContact C-N 3.29Å; V356-K358 PolarHBondContact O-N 3.46Å; V356-K359 WeakPolarHBondContact O-CB 3.38Å; V356-K359 PolarHBondContact O-N 3.48Å; V356-L360 HydrophobicContact CG2-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CG 3.23Å; V356-L360 PolarHBondContact O-N 3.25Å
357C95.5Very high95.2Very high4 Ų470.1 Ų70.13%0.02731%0.313CS..Hα-helixtrans-53.3-43.9-174.9-168.90000112.8C335 H353 L360 Q361C335-C357 VanDerWaalsContact CB-O 3.27Å; C335-C357 WeakPolarHBondContact CB-O 3.49Å; H353-C357 PolarHBondContact NE2-SG 2.9Å; H353-C357 VanDerWaalsContact NE2-SG 3.41Å; H353-C357 WeakPolarHBondContact O-CB 3.34Å; H353-C357 PolarHBondContact O-N 2.9Å; C357-L360 PolarHBondContact O-N 3.44Å; C357-Q361 PolarHBondContact O-N 2.92Å
358K95Very high95.2Very high145 Ų14568.1 Ų68.163%0.6331%0.306SS*.Hα-helixtrans-65.2-44.6178.2-168.8-179.1178.7-172.10112.3V356 L360 Q361 E362V356-K358 VanDerWaalsContact C-N 3.29Å; V356-K358 PolarHBondContact O-N 3.46Å; K358-L360 VanDerWaalsContact C-N 3.3Å; K358-L360 PolarHBondContact O-N 3.43Å; K358-Q361 WeakPolarHBondContact O-CB 2.86Å; K358-Q361 PolarHBondContact O-N 3.06Å; K358-Q361 VanDerWaalsContact O-N 3.12Å; K358-E362 VanDerWaalsContact CE-OE1 3.31Å; K358-E362 WeakPolarHBondContact CE-OE1 3.4Å; K358-E362 WeakPolarHBondContact O-CG 2.99Å; K358-E362 PolarHBondContact O-N 3.36Å
359K93.6Very high95.1Very high108 Ų10868.8 Ų68.847%0.4732%0.317SS..Hα-helixtrans-59.9-41.3175.9-63.4-179.4179.4177.90111.6D255 V356 Q361 E362 Q363D255-K359 PolarHBondContact O-NZ 2.81Å; V356-K359 WeakPolarHBondContact O-CB 3.38Å; V356-K359 PolarHBondContact O-N 3.48Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 2.83Å; K359-E362 PolarHBondContact O-N 3.34Å; K359-Q363 WeakPolarHBondContact O-CB 3.38Å; K359-Q363 PolarHBondContact O-N 3.5Å
360L93.8Very high95Very high31 Ų3172.5 Ų72.516%0.16233%0.334CS..Hα-helixtrans-65.6-35.3176.7-68174.6000112.3C335 M337 V338 V356 C357 K358 R364C335-L360 HydrophobicContact CB-CB 3.86Å; M337-L360 HydrophobicContact CB-CB 4.41Å; M337-L360 HydrophobicContact CG-CB 4.36Å; V338-L360 HydrophobicContact CG2-CD1 3.67Å; V356-L360 HydrophobicContact CG2-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CG 3.23Å; V356-L360 PolarHBondContact O-N 3.25Å; C357-L360 PolarHBondContact O-N 3.44Å; K358-L360 VanDerWaalsContact C-N 3.3Å; K358-L360 PolarHBondContact O-N 3.43Å; L360-R364 WeakPolarHBondContact O-CB 3.34Å; L360-R364 PolarHBondContact O-N 3.43Å
361Q95.9Very high94.8Very high55 Ų5573.4 Ų73.426%0.25734%0.344SS..Hα-helixtrans-63.5-49.4173.1-178.6-179.8-3.800111C335 C357 K358 K359 Q363 R364 E365C335-Q361 HydrophobicContact CB-CB 4.29Å; C357-Q361 PolarHBondContact O-N 2.92Å; K358-Q361 WeakPolarHBondContact O-CB 2.86Å; K358-Q361 PolarHBondContact O-N 3.06Å; K358-Q361 VanDerWaalsContact O-N 3.12Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 2.83Å; Q361-Q363 VanDerWaalsContact C-N 3.29Å; Q361-Q363 PolarHBondContact O-N 3.44Å; Q361-R364 WeakPolarHBondContact O-CB 3.38Å; Q361-R364 PolarHBondContact O-N 3.2Å; Q361-E365 VanDerWaalsContact CG-OE1 3.25Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.36Å; Q361-E365 PolarHBondContact NE2-OE1 2.85Å; Q361-E365 WeakPolarHBondContact O-CG 3.06Å; Q361-E365 PolarHBondContact O-N 3.32Å
362E95.6Very high94.6Very high99 Ų9972.7 Ų72.746%0.46335%0.349SS..Hα-helixtrans-60.3-40.2178.3-68.8165-174.700111.3K358 K359 E365 K366K358-E362 VanDerWaalsContact CE-OE1 3.31Å; K358-E362 WeakPolarHBondContact CE-OE1 3.4Å; K358-E362 WeakPolarHBondContact O-CG 2.99Å; K358-E362 PolarHBondContact O-N 3.36Å; K359-E362 PolarHBondContact O-N 3.34Å; E362-E365 PolarHBondContact O-N 3.11Å; E362-K366 WeakPolarHBondContact O-CB 3.41Å; E362-K366 PolarHBondContact O-N 3.02Å
363Q93.2Very high94.5Very high98 Ų9878.9 Ų78.946%0.45838%0.375SS..Hα-helixtrans-62.7-45.2175.6-175.2177.43.500112.2K359 Q361 K366 Q367K359-Q363 WeakPolarHBondContact O-CB 3.38Å; K359-Q363 PolarHBondContact O-N 3.5Å; Q361-Q363 VanDerWaalsContact C-N 3.29Å; Q361-Q363 PolarHBondContact O-N 3.44Å; Q363-K366 PolarHBondContact O-N 2.79Å; Q363-Q367 WeakPolarHBondContact O-CG 3.45Å; Q363-Q367 PolarHBondContact O-N 3.06Å
364R94.8Very high94.4Very high24 Ų2483.5 Ų83.59%0.09140%0.399CS..Hα-helixtrans-60.7-48.5176.6-174.6-162.771.1-131-7.6111.2I334 C335 M337 L360 Q361 K366 Q367 E368I334-R364 PolarHBondContact O-NH1 2.9Å; C335-R364 PolarHBondContact O-NH1 2.95Å; M337-R364 HydrophobicContact CG-CB 3.95Å; M337-R364 HydrophobicContact CG-CG 4.4Å; M337-R364 HydrophobicContact SD-CB 3.75Å; M337-R364 HydrophobicContact SD-CG 3.76Å; L360-R364 WeakPolarHBondContact O-CB 3.34Å; L360-R364 PolarHBondContact O-N 3.43Å; Q361-R364 WeakPolarHBondContact O-CB 3.38Å; Q361-R364 PolarHBondContact O-N 3.2Å; R364-K366 VanDerWaalsContact C-N 3.28Å; R364-K366 PolarHBondContact O-N 3.14Å; R364-Q367 PolarHBondContact O-N 3.22Å; R364-Q367 VanDerWaalsContact O-N 3.16Å; R364-E368 WeakPolarHBondContact CD-OE1 3.48Å; R364-E368 HydrophobicContact CG-CG 4.44Å; R364-E368 WeakPolarHBondContact CG-OE1 3.4Å; R364-E368 IonicContact NE-OE1 3.78Å; R364-E368 PolarHBondContact NE-OE1 2.92Å; R364-E368 WeakPolarHBondContact O-CB 3.17Å; R364-E368 WeakPolarHBondContact O-CG 3.31Å; R364-E368 PolarHBondContact O-N 3.45Å
365E96Very high94.2Very high84 Ų8486.2 Ų86.239%0.39341%0.406SS..Hα-helixtrans-62-37.7-179.8-72.2167.6-174.500111.5Q361 E362 A369Q361-E365 VanDerWaalsContact CG-OE1 3.25Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.36Å; Q361-E365 PolarHBondContact NE2-OE1 2.85Å; Q361-E365 WeakPolarHBondContact O-CG 3.06Å; Q361-E365 PolarHBondContact O-N 3.32Å; E362-E365 PolarHBondContact O-N 3.11Å; E365-A369 WeakPolarHBondContact O-CB 3.32Å; E365-A369 PolarHBondContact O-N 2.88Å
366K95.1Very high94Very high133 Ų13386.9 Ų86.958%0.57841%0.409SS*.Hα-helixtrans-63-46.7172.6-174.2179.5173.9-175.30112E362 Q363 R364 A369 E370E362-K366 WeakPolarHBondContact O-CB 3.41Å; E362-K366 PolarHBondContact O-N 3.02Å; Q363-K366 PolarHBondContact O-N 2.79Å; R364-K366 VanDerWaalsContact C-N 3.28Å; R364-K366 PolarHBondContact O-N 3.14Å; K366-A369 PolarHBondContact O-N 3.23Å; K366-E370 WeakPolarHBondContact CE-OE1 3.46Å; K366-E370 IonicContact NZ-OE1 2.77Å; K366-E370 WeakPolarHBondContact O-CG 3.46Å; K366-E370 PolarHBondContact O-N 3.26Å
367Q93.4Very high93.7Very high85 Ų8592 Ų9240%0.39743%0.432SS..Hα-helixtrans-63.3-41.8177.8-73.6174.7-19.700112.3Q363 R364 A369 E370 M371Q363-Q367 WeakPolarHBondContact O-CG 3.45Å; Q363-Q367 PolarHBondContact O-N 3.06Å; R364-Q367 PolarHBondContact O-N 3.22Å; R364-Q367 VanDerWaalsContact O-N 3.16Å; Q367-A369 VanDerWaalsContact C-N 3.34Å; Q367-E370 PolarHBondContact O-N 3.49Å; Q367-M371 WeakPolarHBondContact O-CB 3.21Å; Q367-M371 PolarHBondContact O-N 3.09Å
368E94Very high93.4Very high99 Ų9997.1 Ų97.146%0.46346%0.456SS..Hα-helixtrans-62.6-41.5175.3-73.5170.6-178.400111.2R364 A372R364-E368 WeakPolarHBondContact CD-OE1 3.48Å; R364-E368 HydrophobicContact CG-CG 4.44Å; R364-E368 WeakPolarHBondContact CG-OE1 3.4Å; R364-E368 IonicContact NE-OE1 3.78Å; R364-E368 PolarHBondContact NE-OE1 2.92Å; R364-E368 WeakPolarHBondContact O-CB 3.17Å; R364-E368 WeakPolarHBondContact O-CG 3.31Å; R364-E368 PolarHBondContact O-N 3.45Å; E368-A372 VanDerWaalsContact O-CB 3.27Å; E368-A372 WeakPolarHBondContact O-CB 3.21Å; E368-A372 PolarHBondContact O-N 3.38Å
369A94.7Very high93Very high50 Ų5092.6 Ų92.641%0.41344%0.442SS..Hα-helixtrans-67-41.3176.600000112.7E365 K366 Q367 A372 K373E365-A369 WeakPolarHBondContact O-CB 3.32Å; E365-A369 PolarHBondContact O-N 2.88Å; K366-A369 PolarHBondContact O-N 3.23Å; Q367-A369 VanDerWaalsContact C-N 3.34Å; A369-A372 PolarHBondContact O-N 2.88Å; A369-K373 WeakPolarHBondContact O-CG 3.48Å; A369-K373 PolarHBondContact O-N 2.97Å
370E94.6Very high92.7Very high94 Ų9494.5 Ų94.544%0.43945%0.451SS..Hα-helixtrans-64.1-46.1175.2-75.4173.3179.200111.2K366 Q367 A372 K373 L374K366-E370 WeakPolarHBondContact CE-OE1 3.46Å; K366-E370 IonicContact NZ-OE1 2.77Å; K366-E370 WeakPolarHBondContact O-CG 3.46Å; K366-E370 PolarHBondContact O-N 3.26Å; Q367-E370 PolarHBondContact O-N 3.49Å; E370-A372 VanDerWaalsContact C-N 3.33Å; E370-A372 PolarHBondContact O-N 3.28Å; E370-K373 WeakPolarHBondContact O-CB 3.43Å; E370-K373 PolarHBondContact O-N 3.18Å; E370-L374 PolarHBondContact O-N 2.95Å
371M92.4Very high92.2Very high110 Ų110100 Ų10054%0.54248%0.476SS..Hα-helixtrans-62.3-38.3174-79.4-148.2-71.200112.7Q367 K373 L374 R375Q367-M371 WeakPolarHBondContact O-CB 3.21Å; Q367-M371 PolarHBondContact O-N 3.09Å; M371-K373 VanDerWaalsContact C-N 3.32Å; M371-K373 PolarHBondContact O-N 3.11Å; M371-L374 PolarHBondContact O-N 3.29Å; M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 WeakPolarHBondContact O-CG 3.18Å; M371-R375 PolarHBondContact O-N 3.43Å
372A93.5Very high91.6Very high45 Ų45103.4 Ų103.437%0.37249%0.491SS..Hα-helixtrans-66.7-33.6176.300000112.4E368 A369 E370 K376E368-A372 VanDerWaalsContact O-CB 3.27Å; E368-A372 WeakPolarHBondContact O-CB 3.21Å; E368-A372 PolarHBondContact O-N 3.38Å; A369-A372 PolarHBondContact O-N 2.88Å; E370-A372 VanDerWaalsContact C-N 3.33Å; E370-A372 PolarHBondContact O-N 3.28Å; A372-K376 VanDerWaalsContact O-CG 3.3Å; A372-K376 WeakPolarHBondContact O-CG 3.15Å; A372-K376 PolarHBondContact O-N 3.23Å
373K93.8Very high91Very high137 Ų137104 Ų10460%0.59650%0.498SS*.Hα-helixtrans-66.7-49.8172.5-74.3176.8-177.7-176.90111.2A369 E370 M371 R375 K376 E377A369-K373 WeakPolarHBondContact O-CG 3.48Å; A369-K373 PolarHBondContact O-N 2.97Å; E370-K373 WeakPolarHBondContact O-CB 3.43Å; E370-K373 PolarHBondContact O-N 3.18Å; M371-K373 VanDerWaalsContact C-N 3.32Å; M371-K373 PolarHBondContact O-N 3.11Å; K373-R375 VanDerWaalsContact C-N 3.33Å; K373-R375 PolarHBondContact O-N 3.33Å; K373-K376 WeakPolarHBondContact O-CB 3.39Å; K373-K376 PolarHBondContact O-N 3.32Å; K373-E377 WeakPolarHBondContact O-CG 3.41Å; K373-E377 PolarHBondContact O-N 2.79Å
374L92Very high90.6Very high97 Ų97105.7 Ų105.751%0.50850%0.504SS..Hα-helixtrans-57.8-43.8177.9-74.3165.1000112.1E370 M371 K376 E377 Q378E370-L374 PolarHBondContact O-N 2.95Å; M371-L374 PolarHBondContact O-N 3.29Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.02Å; L374-E377 PolarHBondContact O-N 2.8Å; L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.38Å; L374-Q378 PolarHBondContact O-N 2.94Å
375R91.5Very high89.9Confident177 Ų177107.5 Ų107.567%0.66852%0.52SS*.Hα-helixtrans-61.9-38.3175-77-177.8179.1-178.3-0.1112.9M371 K373 S379M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 WeakPolarHBondContact O-CG 3.18Å; M371-R375 PolarHBondContact O-N 3.43Å; K373-R375 VanDerWaalsContact C-N 3.33Å; K373-R375 PolarHBondContact O-N 3.33Å; R375-S379 WeakPolarHBondContact O-CB 3.37Å; R375-S379 PolarHBondContact O-N 3.03Å; R375-S379 PolarHBondContact O-OG 3.38Å
376K90.6Very high89.2Confident139 Ų139108 Ų10860%0.60453%0.528SS*.Hα-helixtrans-68-40.2176.3-76.4176.2-177.9-176.80111.5A372 K373 L374 S379 K380A372-K376 VanDerWaalsContact O-CG 3.3Å; A372-K376 WeakPolarHBondContact O-CG 3.15Å; A372-K376 PolarHBondContact O-N 3.23Å; K373-K376 WeakPolarHBondContact O-CB 3.39Å; K373-K376 PolarHBondContact O-N 3.32Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.02Å; K376-S379 WeakPolarHBondContact CA-OG 3.44Å; K376-S379 PolarHBondContact O-N 3.15Å; K376-S379 PolarHBondContact O-OG 2.92Å; K376-K380 VanDerWaalsContact O-CG 3.31Å; K376-K380 WeakPolarHBondContact O-CG 3.39Å; K376-K380 PolarHBondContact O-N 3.16Å
377E89.3Confident88.5Confident117 Ų117106.7 Ų106.755%0.54753%0.525SS..Hα-helixtrans-63.3-48.3175.8-72.9167.9-17700110.9K373 L374 S379 K380 E381K373-E377 WeakPolarHBondContact O-CG 3.41Å; K373-E377 PolarHBondContact O-N 2.79Å; L374-E377 PolarHBondContact O-N 2.8Å; E377-S379 PolarHBondContact O-N 2.76Å; E377-K380 WeakPolarHBondContact O-CB 3.44Å; E377-K380 PolarHBondContact O-N 3.5Å; E377-K380 VanDerWaalsContact O-N 3.12Å; E377-E381 PolarHBondContact O-N 2.82Å
378Q87.6Confident87.8Confident113 Ų113107.6 Ų107.653%0.52853%0.529SS..Hα-helixtrans-56.9-47.3174.1-73.8174.5-1700112.1L374 K380 E381 E382L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.38Å; L374-Q378 PolarHBondContact O-N 2.94Å; Q378-K380 VanDerWaalsContact C-N 3.28Å; Q378-K380 PolarHBondContact O-N 3.46Å; Q378-E381 PolarHBondContact O-N 3.26Å; Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 2.95Å; Q378-E382 PolarHBondContact O-N 3.37Å
379S87.5Confident87.1Confident49 Ų49105.2 Ų105.234%0.34353%0.526SS..Hα-helixtrans-64-30.8178.3690000113.6R375 K376 E377 N383R375-S379 WeakPolarHBondContact O-CB 3.37Å; R375-S379 PolarHBondContact O-N 3.03Å; R375-S379 PolarHBondContact O-OG 3.38Å; K376-S379 WeakPolarHBondContact CA-OG 3.44Å; K376-S379 PolarHBondContact O-N 3.15Å; K376-S379 PolarHBondContact O-OG 2.92Å; E377-S379 PolarHBondContact O-N 2.76Å; S379-N383 VanDerWaalsContact O-CB 3.29Å; S379-N383 WeakPolarHBondContact O-CB 3.49Å; S379-N383 PolarHBondContact O-N 2.93Å; S379-N383 PolarHBondContact O-ND2 3.05Å
380K87.3Confident86.2Confident149 Ų149104.5 Ų104.565%0.64852%0.52SS*.Hα-helixtrans-73.6-39176-77.3176177.9-174.70111.3K376 E377 Q378 K384K376-K380 VanDerWaalsContact O-CG 3.31Å; K376-K380 WeakPolarHBondContact O-CG 3.39Å; K376-K380 PolarHBondContact O-N 3.16Å; E377-K380 WeakPolarHBondContact O-CB 3.44Å; E377-K380 PolarHBondContact O-N 3.5Å; E377-K380 VanDerWaalsContact O-N 3.12Å; Q378-K380 VanDerWaalsContact C-N 3.28Å; Q378-K380 PolarHBondContact O-N 3.46Å; K380-K384 VanDerWaalsContact O-CB 3.29Å; K380-K384 WeakPolarHBondContact O-CB 3.44Å; K380-K384 PolarHBondContact O-N 3.26Å
381E83.3Confident85.4Confident147 Ų147103.4 Ų103.469%0.68752%0.518SS*.Hα-helixtrans-69.5-42.7177.9-160.4164-156.600111E377 Q378 K384 S385E377-E381 PolarHBondContact O-N 2.82Å; Q378-E381 PolarHBondContact O-N 3.26Å; E381-K384 PolarHBondContact O-N 3.37Å; E381-S385 WeakPolarHBondContact O-CB 3.36Å; E381-S385 PolarHBondContact O-N 3.32Å; E381-S385 PolarHBondContact O-OG 2.92Å
382E83.4Confident84.7Confident125 Ų125101.4 Ų101.458%0.58451%0.514SS*.Hα-helixtrans-58.8-51.5170.5-76176.4173.800111.3Q378 K384 S385 V386Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 2.95Å; Q378-E382 PolarHBondContact O-N 3.37Å; E382-K384 VanDerWaalsContact C-N 3.29Å; E382-K384 PolarHBondContact O-N 3.25Å; E382-S385 PolarHBondContact O-N 2.92Å; E382-S385 VanDerWaalsContact O-N 3.14Å; E382-S385 PolarHBondContact O-OG 3.09Å; E382-V386 WeakPolarHBondContact O-CG2 3.4Å; E382-V386 PolarHBondContact O-N 3.49Å
383N82.6Confident83.5Confident112 Ų112105 Ų10560%0.59953%0.525SS*.Hα-helixtrans-61.4-36.6178.2-76.6-13.4000112.9S379 V386 Q387S379-N383 VanDerWaalsContact O-CB 3.29Å; S379-N383 WeakPolarHBondContact O-CB 3.49Å; S379-N383 PolarHBondContact O-N 2.93Å; S379-N383 PolarHBondContact O-ND2 3.05Å; N383-V386 PolarHBondContact O-N 3.18Å; N383-Q387 WeakPolarHBondContact O-CB 3.49Å; N383-Q387 PolarHBondContact O-N 3.5Å
384K84.9Confident82.3Confident133 Ų133104.5 Ų104.558%0.57853%0.525SS*.Hα-helixtrans-65.6-44175.1-175179.2170.6-171.80111K380 E381 E382 V386 Q387 E388K380-K384 VanDerWaalsContact O-CB 3.29Å; K380-K384 WeakPolarHBondContact O-CB 3.44Å; K380-K384 PolarHBondContact O-N 3.26Å; E381-K384 PolarHBondContact O-N 3.37Å; E382-K384 VanDerWaalsContact C-N 3.29Å; E382-K384 PolarHBondContact O-N 3.25Å; K384-V386 VanDerWaalsContact C-N 3.33Å; K384-V386 PolarHBondContact O-N 2.99Å; K384-Q387 PolarHBondContact O-N 3.31Å; K384-E388 WeakPolarHBondContact CE-OE1 3.46Å; K384-E388 IonicContact NZ-OE1 3.14Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 2.7Å
385S80.7Confident81.1Confident63 Ų63106.8 Ų106.844%0.44153%0.533SS..Hα-helixtrans-63.9-37176.772.40000112.8E381 E382 A389E381-S385 WeakPolarHBondContact O-CB 3.36Å; E381-S385 PolarHBondContact O-N 3.32Å; E381-S385 PolarHBondContact O-OG 2.92Å; E382-S385 PolarHBondContact O-N 2.92Å; E382-S385 VanDerWaalsContact O-N 3.14Å; E382-S385 PolarHBondContact O-OG 3.09Å; S385-A389 WeakPolarHBondContact O-CB 3.26Å; S385-A389 PolarHBondContact O-N 2.81Å
386V80.5Confident79.5Confident93 Ų93103.9 Ų103.956%0.56453%0.53SS*.Hα-helixtrans-68.7-40.5175.6172.90000110.9E382 N383 K384 A389 A390E382-V386 WeakPolarHBondContact O-CG2 3.4Å; E382-V386 PolarHBondContact O-N 3.49Å; N383-V386 PolarHBondContact O-N 3.18Å; K384-V386 VanDerWaalsContact C-N 3.33Å; K384-V386 PolarHBondContact O-N 2.99Å; V386-A389 PolarHBondContact O-N 2.83Å; V386-A390 WeakPolarHBondContact O-CB 3.04Å; V386-A390 PolarHBondContact O-N 2.78Å
387Q81.1Confident77.8Confident107 Ų107100.5 Ų100.550%0.552%0.524SS..Hα-helixtrans-65.8-45.1176.1-171.864.140.700111.6N383 K384 A389 A390 D391N383-Q387 WeakPolarHBondContact O-CB 3.49Å; N383-Q387 PolarHBondContact O-N 3.5Å; K384-Q387 PolarHBondContact O-N 3.31Å; Q387-A389 VanDerWaalsContact C-N 3.3Å; Q387-A389 PolarHBondContact O-N 2.99Å; Q387-A390 PolarHBondContact O-N 2.97Å; Q387-A390 VanDerWaalsContact O-N 3.15Å; Q387-D391 PolarHBondContact NE2-OD1 3.16Å; Q387-D391 WeakPolarHBondContact O-CB 3.29Å; Q387-D391 PolarHBondContact O-N 3.25Å
388E79.6Confident76.2Confident103 Ų10399.5 Ų99.548%0.48153%0.526SS..Hα-helixtrans-61.6-37.4176.4-73.8173.3175.500112K384 S392K384-E388 WeakPolarHBondContact CE-OE1 3.46Å; K384-E388 IonicContact NZ-OE1 3.14Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 2.7Å; E388-S392 WeakPolarHBondContact O-CB 3.45Å; E388-S392 PolarHBondContact O-N 2.94Å; E388-S392 PolarHBondContact O-OG 3.23Å
389A78.1Confident74.3Confident50 Ų50101 Ų10141%0.41353%0.533SS..Hα-helixtrans-68.1-40173.400000112.5S385 V386 Q387 M393S385-A389 WeakPolarHBondContact O-CB 3.26Å; S385-A389 PolarHBondContact O-N 2.81Å; V386-A389 PolarHBondContact O-N 2.83Å; Q387-A389 VanDerWaalsContact C-N 3.3Å; Q387-A389 PolarHBondContact O-N 2.99Å; A389-M393 WeakPolarHBondContact O-CG 3.49Å; A389-M393 PolarHBondContact O-N 3.03Å
390A76.4Confident72.5Confident35 Ų35103.7 Ų103.729%0.28955%0.547SS..Hα-helixtrans-66.2-44.2176.400000112V386 Q387 S392 M393 Q394V386-A390 WeakPolarHBondContact O-CB 3.04Å; V386-A390 PolarHBondContact O-N 2.78Å; Q387-A390 PolarHBondContact O-N 2.97Å; Q387-A390 VanDerWaalsContact O-N 3.15Å; A390-S392 VanDerWaalsContact C-N 3.35Å; A390-S392 PolarHBondContact O-N 3.08Å; A390-M393 PolarHBondContact O-N 3.25Å; A390-Q394 WeakPolarHBondContact O-CB 3.49Å; A390-Q394 PolarHBondContact O-N 3.08Å
391D77.1Confident70.5Confident71 Ų71105.5 Ų105.538%0.3856%0.555SS.*Hα-helixtrans-63.1-42177.3-66.4-17.5000110.5Q387 M393 Q394 E395Q387-D391 PolarHBondContact NE2-OD1 3.16Å; Q387-D391 WeakPolarHBondContact O-CB 3.29Å; Q387-D391 PolarHBondContact O-N 3.25Å; D391-M393 PolarHBondContact O-N 2.83Å; D391-Q394 PolarHBondContact O-N 3.23Å; D391-Q394 VanDerWaalsContact O-N 3.16Å; D391-E395 PolarHBondContact O-N 3.2Å
392S77.3Confident68.4Low67 Ų67103.2 Ų103.247%0.46956%0.555SS.*Hα-helixtrans-62-40.6174.5-59.60000112.8E388 A390 Q394 L396E388-S392 WeakPolarHBondContact O-CB 3.45Å; E388-S392 PolarHBondContact O-N 2.94Å; E388-S392 PolarHBondContact O-OG 3.23Å; A390-S392 VanDerWaalsContact C-N 3.35Å; A390-S392 PolarHBondContact O-N 3.08Å; S392-Q394 VanDerWaalsContact C-N 3.32Å; S392-L396 WeakPolarHBondContact O-CD1 3.45Å; S392-L396 WeakPolarHBondContact O-CG 3.41Å; S392-L396 PolarHBondContact O-N 3.24Å
393M68.8Low66.3Low121 Ų121106.2 Ų106.260%0.59657%0.566SS**Hα-helixtrans-68-32.1174.9-74.9-171.8-65.300112.5A389 A390 D391 S397A389-M393 WeakPolarHBondContact O-CG 3.49Å; A389-M393 PolarHBondContact O-N 3.03Å; A390-M393 PolarHBondContact O-N 3.25Å; D391-M393 PolarHBondContact O-N 2.83Å; M393-S397 PolarHBondContact O-N 3.25Å; M393-S397 PolarHBondContact O-OG 3.12Å
394Q69.9Low64.1Low126 Ų126109.6 Ų109.659%0.58958%0.578SS**Hα-helixtrans-75-38.6179-162.3165.2-1.900111.5A390 D391 S392 S397 V398A390-Q394 WeakPolarHBondContact O-CB 3.49Å; A390-Q394 PolarHBondContact O-N 3.08Å; D391-Q394 PolarHBondContact O-N 3.23Å; D391-Q394 VanDerWaalsContact O-N 3.16Å; S392-Q394 VanDerWaalsContact C-N 3.32Å; Q394-S397 WeakPolarHBondContact O-CB 3.35Å; Q394-S397 PolarHBondContact O-N 3.12Å; Q394-S397 VanDerWaalsContact O-N 3.12Å; Q394-V398 WeakPolarHBondContact O-CG2 3.42Å; Q394-V398 PolarHBondContact O-N 3.2Å; Q394-V398 VanDerWaalsContact O-N 3.08Å
395E65.3Low61.5Low145 Ų145110.2 Ų110.268%0.67859%0.593SS**Hα-helixtrans-59.5-44.6171.6-76.4-174.1163.800112.1D391 S397 V398 E399D391-E395 PolarHBondContact O-N 3.2Å; E395-S397 PolarHBondContact O-N 2.87Å; E395-V398 PolarHBondContact O-N 3.41Å; E395-E399 PolarHBondContact O-N 3.31Å
396L58.6Low59.6Low116 Ų116113 Ų11361%0.60761%0.61SS**Hα-helixtrans-60.4-30.5174.3-73.8163.6000113S392 T400S392-L396 WeakPolarHBondContact O-CD1 3.45Å; S392-L396 WeakPolarHBondContact O-CG 3.41Å; S392-L396 PolarHBondContact O-N 3.24Å; L396-T400 PolarHBondContact O-OG1 2.85Å
397S55.3Low57.2Low69 Ų69112.6 Ų112.648%0.48362%0.616SS.*Hα-helixtrans-80.1-27.6179.6-58.80000113.2M393 Q394 E395 T400M393-S397 PolarHBondContact O-N 3.25Å; M393-S397 PolarHBondContact O-OG 3.12Å; Q394-S397 WeakPolarHBondContact O-CB 3.35Å; Q394-S397 PolarHBondContact O-N 3.12Å; Q394-S397 VanDerWaalsContact O-N 3.12Å; E395-S397 PolarHBondContact O-N 2.87Å; S397-T400 WeakPolarHBondContact CA-OG1 3.43Å; S397-T400 PolarHBondContact O-OG1 3.43Å
398V54.3Low54.7Low96 Ų96115.1 Ų115.158%0.58263%0.633SS**Hα-helixtrans-77.9-34.3178.1177.80000110.9Q394 E395 T400 K401Q394-V398 WeakPolarHBondContact O-CG2 3.42Å; Q394-V398 PolarHBondContact O-N 3.2Å; Q394-V398 VanDerWaalsContact O-N 3.08Å; E395-V398 PolarHBondContact O-N 3.41Å; V398-T400 VanDerWaalsContact C-N 3.32Å; V398-T400 PolarHBondContact O-N 3.29Å; V398-K401 PolarHBondContact O-N 3.47Å
399E49.2Very low52.4Low145 Ų145115 Ų11568%0.67865%0.65SS**Hα-helixtrans-61.7-38.9172.8-74.6-168.7151.200112.2E395 K401 S402E395-E399 PolarHBondContact O-N 3.31Å; E399-K401 VanDerWaalsContact C-N 3.33Å; E399-K401 PolarHBondContact O-N 3.26Å; E399-S402 PolarHBondContact O-N 3.38Å; E399-S402 PolarHBondContact O-OG 2.96Å
400T48.7Very low50.1Low104 Ų104117.3 Ų117.364%0.63867%0.669SS**Hα-helixtrans-68.6-23.1177.235.80000114.9L396 S397 V398L396-T400 PolarHBondContact O-OG1 2.85Å; S397-T400 WeakPolarHBondContact CA-OG1 3.43Å; S397-T400 PolarHBondContact O-OG1 3.43Å; V398-T400 VanDerWaalsContact C-N 3.32Å; V398-T400 PolarHBondContact O-N 3.29Å
401K45.3Very low47.9Very low188 Ų188120 Ų12082%0.81769%0.692SS**Hα-helixtrans-88.6-6.4-179.7-84.1-178.6175.6176.30114.7V398 E399 K403V398-K401 PolarHBondContact O-N 3.47Å; E399-K401 VanDerWaalsContact C-N 3.33Å; E399-K401 PolarHBondContact O-N 3.26Å; K401-K403 VanDerWaalsContact C-N 3.34Å
402S39.6Very low45.7Very low99 Ų99121.4 Ų121.469%0.69271%0.713SS**THydrogen-bonded Turntrans-88.52.217865.60000114.3E399E399-S402 PolarHBondContact O-N 3.38Å; E399-S402 PolarHBondContact O-OG 2.96Å
403K39.9Very low43.5Very low187 Ų187121.9 Ų121.981%0.81372%0.721SS**  trans-126.371174.6-77.5-175.8177.1175.50111.6K401K401-K403 VanDerWaalsContact C-N 3.34Å
404E36.3Very low41.8Very low183 Ų183124.7 Ų124.786%0.85573%0.732SS**  trans-135111.1157.6-76.6-169.3161.400111
405T28.7Very low40Very low146 Ų146124 Ų12490%0.89674%0.737SS**  trans-135.8153.7149.329.50000109.2
406P41.3Very low38.4Very low123 Ų123123.2 Ų123.280%0.79974%0.742SS**  trans-110.9168.1-140.939-31.1000115.4
407A30.4Very low37.1Very low83 Ų83124.4 Ų124.469%0.68675%0.749SS**  trans104.5135.4148.600000119.5
408D29.7Very low36.2Very low160 Ų160126 Ų12686%0.85676%0.761SS**  trans71.7111.1152.1-61.2-27.2000120.4
409A29.6Very low35.3Very low100 Ų100126.8 Ų126.883%0.82677%0.765SS**  -179.1137.79100000111.3
410A30.4Very low34.4Very low100 Ų100124.3 Ų124.383%0.82676%0.764SS**  trans-65.4154.217300000113.3
411A30.9Very low34Very low92 Ų92127 Ų12776%0.7677%0.773SS**  130.1124.412600000114.7
412A30.9Very low34Very low100 Ų100123.3 Ų123.383%0.82677%0.768SS**  trans60.9141.7140.600000118.2
413A30.5Very low34Very low76 Ų76123.2 Ų123.263%0.62877%0.773SS**  cis-172.4150.6-4.300000105.3
414E33.1Very low33.9Very low180 Ų180119 Ų11984%0.84177%0.774SS**  trans62.3140.3147.4-69.3178.6-176.300118.3
415T31.5Very low33.9Very low112 Ų112117.9 Ų117.969%0.68777%0.774SS**  cis-171.7136.71229.20000104.3
416T32.5Very low34.5Very low129 Ų129122.4 Ų122.479%0.79179%0.793SS**  155.3108.299.638.80000103.4
417D31.9Very low34.2Very low141 Ų141122.4 Ų122.475%0.75479%0.792SS**  64.4102.586.1-154.920.3000114.6
418S36.4Very low34.4Very low103 Ų103124.5 Ų124.572%0.7280%0.798SS**  164.893.812544.10000109.2
419T33.8Very low34.7Very low111 Ų111122.5 Ų122.568%0.68180%0.795SS**  5210310345.30000113.1
420S31.3Very low35Very low94 Ų94123.8 Ų123.866%0.65779%0.793SS**  59.2121.665940000109.8
421I39.9Very low35.2Very low159 Ų159125.3 Ų125.382%0.81579%0.791SS**  177.5170.962.9-108156.9000108
422P45.3Very low35.5Very low111 Ų111127.5 Ų127.572%0.72179%0.793SS**  trans-117.6-161.6-141.142.4-28.2000114.3
423A38.8Very low35.9Very low97 Ų97129.5 Ų129.580%0.80279%0.79SS**  trans-33.8149.1163.800000115.9
424A38.2Very low36.3Very low100 Ų100133.6 Ų133.683%0.82680%0.803SS**  trans-139.4126.7155.600000109.6
425D36.2Very low36.5Very low158 Ų158129.8 Ų129.885%0.84580%0.8SS**  trans-54.8139.4163.6-69.6-55.8000112.5
426N42.8Very low37Very low242 Ų242131.4 Ų131.4100%1.29481%0.81SS**  -1710126.8-108-7.7000110.9

Retrieved 426 of 426 residues in 474 ms (Link to these results)

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