A0A3Q0KHZ9_SCHMA Loading...

Cyclin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KHZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 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
1M60.1Low75.9Confident211 Ų211113.2 Ų113.2100%1.03956%0.555SS**  0-47.40-90.1-170.4-86.400112.9Q3 C4M1-Q3 PolarHBondContact O-N 3.46Å; M1-C4 PolarHBondContact O-N 3.21Å
2E69.2Low77Confident160 Ų160107.2 Ų107.275%0.74853%0.526SS*.Hα-helixtrans-59.2-42.8-170.8-60.6179.6136.300114.5C4 K5 V6E2-C4 VanDerWaalsContact C-N 3.26Å; E2-C4 PolarHBondContact O-N 3.42Å; E2-K5 WeakPolarHBondContact O-CA 3.5Å; E2-K5 WeakPolarHBondContact O-CB 3.35Å; E2-K5 PolarHBondContact O-N 3.22Å; E2-V6 PolarHBondContact O-N 3.01Å
3Q65.4Low77.8Confident157 Ų157101.5 Ų101.573%0.73451%0.507SS*.Hα-helixtrans-49.1-46.1177.2-162.5718.100112.8M1 K5 V6 E7M1-Q3 PolarHBondContact O-N 3.46Å; Q3-K5 VanDerWaalsContact C-N 3.32Å; Q3-K5 PolarHBondContact O-N 3.3Å; Q3-V6 PolarHBondContact O-N 2.98Å; Q3-E7 WeakPolarHBondContact O-CB 3.45Å; Q3-E7 PolarHBondContact O-N 2.81Å
4C72.5Confident78.6Confident47 Ų4796.8 Ų96.832%0.31848%0.48SS..Hα-helixtrans-71.6-23.4179.9-170.90000112.9M1 E2 R8M1-C4 PolarHBondContact O-N 3.21Å; E2-C4 VanDerWaalsContact C-N 3.26Å; E2-C4 PolarHBondContact O-N 3.42Å; C4-R8 WeakPolarHBondContact O-CB 3.42Å; C4-R8 VanDerWaalsContact O-CD 3.32Å; C4-R8 WeakPolarHBondContact O-CD 3.35Å; C4-R8 WeakPolarHBondContact O-CG 3.36Å; C4-R8 PolarHBondContact O-N 2.97Å; C4-R8 PolarHBondContact SG-NE 3.38Å; C4-R8 PolarHBondContact SG-NH2 3.22Å; C4-R8 VanDerWaalsContact SG-NH2 3.41Å
5K74.5Confident79.6Confident144 Ų14491.5 Ų91.563%0.62645%0.453SS*.Hα-helixtrans-70.9-47.6168.2-66.7-172.2175.7-175.40110.5E2 Q3 E7 R8 S9E2-K5 WeakPolarHBondContact O-CA 3.5Å; E2-K5 WeakPolarHBondContact O-CB 3.35Å; E2-K5 PolarHBondContact O-N 3.22Å; Q3-K5 VanDerWaalsContact C-N 3.32Å; Q3-K5 PolarHBondContact O-N 3.3Å; K5-E7 PolarHBondContact O-N 3.33Å; K5-R8 PolarHBondContact O-N 3.32Å; K5-S9 PolarHBondContact O-N 3.45Å; K5-S9 PolarHBondContact O-OG 3.15Å; K5-S9 VanDerWaalsContact O-OG 3.13Å
6V74.7Confident80.3Confident94 Ų9488.1 Ų88.157%0.5744%0.435SS*.Hα-helixtrans-59.1-46.2179.2176.80000111.2E2 Q3 S9 L10E2-V6 PolarHBondContact O-N 3.01Å; Q3-V6 PolarHBondContact O-N 2.98Å; V6-S9 PolarHBondContact O-N 3.14Å; V6-L10 WeakPolarHBondContact O-CB 3.43Å; V6-L10 PolarHBondContact O-N 3.22Å
7E78.7Confident80.8Confident94 Ų9484.9 Ų84.944%0.43942%0.419SS..Hα-helixtrans-57.5-49.6175.5-173.8-166.5159.900112.1Q3 K5 S9 L10 H11Q3-E7 WeakPolarHBondContact O-CB 3.45Å; Q3-E7 PolarHBondContact O-N 2.81Å; K5-E7 PolarHBondContact O-N 3.33Å; E7-S9 PolarHBondContact O-N 2.88Å; E7-L10 PolarHBondContact O-N 3.13Å; E7-L10 VanDerWaalsContact O-N 3.17Å; E7-H11 PolarHBondContact O-N 2.91Å; E7-H11 IonicContact OE1-CE1 2.83Å
8R80.9Confident81.6Confident169 Ų16980.2 Ų80.264%0.63840%0.396SS*.Hα-helixtrans-61.1-42176-72.1169.5-168.6176.83.3112.3C4 K5 L10 H11 L12C4-R8 WeakPolarHBondContact O-CB 3.42Å; C4-R8 VanDerWaalsContact O-CD 3.32Å; C4-R8 WeakPolarHBondContact O-CD 3.35Å; C4-R8 WeakPolarHBondContact O-CG 3.36Å; C4-R8 PolarHBondContact O-N 2.97Å; C4-R8 PolarHBondContact SG-NE 3.38Å; C4-R8 PolarHBondContact SG-NH2 3.22Å; C4-R8 VanDerWaalsContact SG-NH2 3.41Å; K5-R8 PolarHBondContact O-N 3.32Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 2.99Å; R8-H11 PolarHBondContact O-N 3.29Å; R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.94Å
9S83.4Confident82.3Confident74 Ų7475.9 Ų75.952%0.51738%0.375SS..Hα-helixtrans-62.7-38.2175.4-62.70000112K5 V6 E7 A13K5-S9 PolarHBondContact O-N 3.45Å; K5-S9 PolarHBondContact O-OG 3.15Å; K5-S9 VanDerWaalsContact O-OG 3.13Å; V6-S9 PolarHBondContact O-N 3.14Å; E7-S9 PolarHBondContact O-N 2.88Å; S9-A13 VanDerWaalsContact O-CB 3.32Å; S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 2.74Å
10L85.5Confident82.8Confident56 Ų5675 Ų7529%0.29338%0.375SS..Hα-helixtrans-68.3-46.8175.6-178.958.4000111.8V6 E7 R8 L12 A13 R14 E53V6-L10 WeakPolarHBondContact O-CB 3.43Å; V6-L10 PolarHBondContact O-N 3.22Å; E7-L10 PolarHBondContact O-N 3.13Å; E7-L10 VanDerWaalsContact O-N 3.17Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 2.99Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.19Å; L10-A13 PolarHBondContact O-N 3.45Å; L10-R14 HydrophobicContact CD1-CG 4.38Å; L10-R14 VanDerWaalsContact O-CG 3.27Å; L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3Å; L10-E53 VanDerWaalsContact CD2-OE1 3.31Å; L10-E53 WeakPolarHBondContact CD2-OE1 3.34Å
11H89.4Confident83.4Confident39 Ų3971.7 Ų71.718%0.18136%0.359CS..Hα-helixtrans-59.9-40.4175.3-68.9164.9000112.1E7 R8 R14 R15 S51 P52E7-H11 PolarHBondContact O-N 2.91Å; E7-H11 IonicContact OE1-CE1 2.83Å; R8-H11 PolarHBondContact O-N 3.29Å; H11-R14 PolarHBondContact O-N 3.14Å; H11-R15 WeakPolarHBondContact O-CG 3.43Å; H11-R15 PolarHBondContact O-N 3.21Å; H11-S51 PolarHBondContact NE2-OG 2.91Å; H11-P52 HydrophobicContact CB-CG 4.37Å
12L89.5Confident85.2Confident41 Ų4161.6 Ų61.622%0.21531%0.309CS..Hα-helixtrans-65.4-46.9174.6-175.361.4000111.5R8 L10 R14 R15 Q16 T162 T218R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.94Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.19Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.25Å; L12-R15 PolarHBondContact O-N 3.32Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 2.91Å; L12-T162 HydrophobicContact CD1-CG2 4.31Å; L12-T218 HydrophobicContact CD2-CG2 4.26Å
13A87.6Confident86.4Confident33 Ų3355.5 Ų55.527%0.27328%0.281SS..Hα-helixtrans-60.4-36.4176.800000112.6S9 L10 Q16 Q17S9-A13 VanDerWaalsContact O-CB 3.32Å; S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 2.74Å; L10-A13 PolarHBondContact O-N 3.45Å; A13-Q16 PolarHBondContact O-N 2.65Å; A13-Q17 WeakPolarHBondContact O-CB 3.48Å; A13-Q17 WeakPolarHBondContact O-CG 3.21Å; A13-Q17 PolarHBondContact O-N 3.01Å
14R89.4Confident87.9Confident36 Ų3652.4 Ų52.414%0.13627%0.266CS..Hα-helixtrans-66.8-42.6174.2-70.3-75.9-179.3-105.7-1.9112.4L10 H11 L12 Q17 C18 P52L10-R14 HydrophobicContact CD1-CG 4.38Å; L10-R14 VanDerWaalsContact O-CG 3.27Å; L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3Å; H11-R14 PolarHBondContact O-N 3.14Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.25Å; R14-Q17 PolarHBondContact O-N 3.35Å; R14-C18 WeakPolarHBondContact O-CB 3.12Å; R14-C18 PolarHBondContact O-N 2.72Å; R14-P52 HydrophobicContact CB-CB 3.49Å; R14-P52 VanDerWaalsContact CB-CB 3.49Å; R14-P52 HydrophobicContact CB-CG 4.28Å; R14-P52 HydrophobicContact CG-CB 4.09Å
15R92.8Very high89Confident17 Ų1750.2 Ų50.26%0.06425%0.251CS..Hα-helixtrans-61.3-44.9173.1-72.7171.4176.9-116.125.9111.3H11 L12 C18 A19 M43 H44 Y47 E48 P52H11-R15 WeakPolarHBondContact O-CG 3.43Å; H11-R15 PolarHBondContact O-N 3.21Å; L12-R15 PolarHBondContact O-N 3.32Å; R15-C18 WeakPolarHBondContact O-CB 3.11Å; R15-C18 PolarHBondContact O-N 3.14Å; R15-A19 PolarHBondContact O-N 3.34Å; R15-M43 HydrophobicContact CB-SD 4.33Å; R15-M43 HydrophobicContact CG-SD 4.36Å; R15-H44 PolarHBondContact NH1-CE1 2.94Å; R15-H44 PolarHBondContact NH1-ND1 3.08Å; R15-H44 PolarHBondContact NH1-O 2.97Å; R15-Y47 HydrophobicContact CG-CD2 3.95Å; R15-Y47 HydrophobicContact CG-CG 4.49Å; R15-Y47 PolarHBondContact NH2-O 3.26Å; R15-E48 IonicContact CZ-OE2 3.79Å; R15-E48 IonicContact NH1-OE2 2.65Å; R15-E48 IonicContact NH2-OE2 3.64Å; R15-E48 PolarHBondContact NH2-OE2 2.81Å; R15-P52 HydrophobicContact CG-CG 4.41Å
16Q91.6Very high90Very high38 Ų3843.3 Ų43.318%0.17822%0.221CC..Hα-helixtrans-59.8-46.2175-71173.8-4.600112.3L12 A13 C18 A19 C20 L160L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 2.91Å; A13-Q16 PolarHBondContact O-N 2.65Å; Q16-C18 VanDerWaalsContact C-N 3.32Å; Q16-C18 PolarHBondContact O-N 3.06Å; Q16-A19 PolarHBondContact O-N 2.91Å; Q16-C20 PolarHBondContact O-N 3.36Å; Q16-C20 PolarHBondContact O-SG 3.08Å; Q16-C20 VanDerWaalsContact O-SG 3.33Å; Q16-L160 PolarHBondContact NE2-O 3.35Å
17Q88.7Confident90.9Very high33 Ų3341.8 Ų41.815%0.15422%0.215CC..Hα-helixtrans-60.1-40.8174.9-75.8166.3-10.800112A13 R14 L21 L463A13-Q17 WeakPolarHBondContact O-CB 3.48Å; A13-Q17 WeakPolarHBondContact O-CG 3.21Å; A13-Q17 PolarHBondContact O-N 3.01Å; R14-Q17 PolarHBondContact O-N 3.35Å; Q17-L21 PolarHBondContact O-N 3.49Å; Q17-L21 VanDerWaalsContact O-N 3.08Å; Q17-L463 HydrophobicContact CG-CD1 4.43Å
18C94.3Very high91.7Very high0 Ų042.8 Ų42.80%021%0.214CC..Hα-helixtrans-65.9-44.6176.5-1580000111.8R14 R15 Q16 C20 L21 I22 M43 Y47 P57R14-C18 WeakPolarHBondContact O-CB 3.12Å; R14-C18 PolarHBondContact O-N 2.72Å; R15-C18 WeakPolarHBondContact O-CB 3.11Å; R15-C18 PolarHBondContact O-N 3.14Å; Q16-C18 VanDerWaalsContact C-N 3.32Å; Q16-C18 PolarHBondContact O-N 3.06Å; C18-C20 PolarHBondContact O-N 2.78Å; C18-L21 PolarHBondContact O-N 3.09Å; C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 3.28Å; C18-M43 HydrophobicContact CB-CE 4.46Å; C18-M43 HydrophobicContact CB-CG 4.02Å; C18-M43 HydrophobicContact CB-SD 4.03Å; C18-M43 VanDerWaalsContact SG-CG 3.53Å; C18-Y47 HydrophobicContact CB-CE2 4.16Å; C18-P57 HydrophobicContact CB-CB 4.2Å; C18-P57 PolarHBondContact SG-O 2.95Å; C18-P57 VanDerWaalsContact SG-O 3.38Å
19A94.9Very high92.3Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-59.2-46.917600000112.2R15 Q16 L21 I22 Q23 I40 M43R15-A19 PolarHBondContact O-N 3.34Å; Q16-A19 PolarHBondContact O-N 2.91Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.46Å; A19-I22 PolarHBondContact O-N 2.77Å; A19-Q23 PolarHBondContact O-N 3.02Å; A19-I40 HydrophobicContact CB-CD1 4.3Å; A19-I40 HydrophobicContact CB-CG1 4.3Å; A19-I40 HydrophobicContact CB-CG2 3.79Å; A19-M43 HydrophobicContact CB-CE 3.84Å
20C93.4Very high92.7Very high57 Ų5740.7 Ų40.739%0.38520%0.204SC..Hα-helixtrans-59.9-40.4175.2-70.20000112.6Q16 C18 Q23 E24Q16-C20 PolarHBondContact O-N 3.36Å; Q16-C20 PolarHBondContact O-SG 3.08Å; Q16-C20 VanDerWaalsContact O-SG 3.33Å; C18-C20 PolarHBondContact O-N 2.78Å; C20-Q23 PolarHBondContact O-N 3.21Å; C20-E24 PolarHBondContact O-N 3.26Å
21L94.8Very high93.1Very high5 Ų539 Ų393%0.02620%0.197CC..Hα-helixtrans-66-39.9176.7-178.957.8000111.8Q17 C18 A19 E24 I25 I58 A61 I88 L89 F467Q17-L21 PolarHBondContact O-N 3.49Å; Q17-L21 VanDerWaalsContact O-N 3.08Å; C18-L21 PolarHBondContact O-N 3.09Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.46Å; L21-E24 PolarHBondContact O-N 2.93Å; L21-I25 HydrophobicContact CD1-CD1 4.03Å; L21-I25 HydrophobicContact CD1-CG1 4.18Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 HydrophobicContact CG-CG1 4.47Å; L21-I25 WeakPolarHBondContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CD1 3.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.23Å; L21-I25 PolarHBondContact O-N 3.1Å; L21-I58 HydrophobicContact CD2-CB 4.32Å; L21-I58 HydrophobicContact CD2-CG1 4.36Å; L21-A61 HydrophobicContact CB-CB 4.22Å; L21-A61 HydrophobicContact CD2-CB 3.73Å; L21-A61 HydrophobicContact CG-CB 3.89Å; L21-I88 HydrophobicContact CD1-CB 4.1Å; L21-I88 HydrophobicContact CD1-CD1 4.07Å; L21-I88 HydrophobicContact CD1-CG2 3.73Å; L21-L89 HydrophobicContact CD1-CD2 4.43Å; L21-L89 HydrophobicContact CD1-CG 4.48Å; L21-L89 HydrophobicContact CD2-CD1 4.49Å; L21-F467 HydrophobicContact CD2-CE1 3.75Å; L21-F467 HydrophobicContact CD2-CZ 4.02Å
22I97.2Very high93.4Very high0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-62.4-44.3174.1-65.6164000111C18 A19 E24 I25 G26 I36 I40 M43 A61 F65C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 3.28Å; A19-I22 PolarHBondContact O-N 2.77Å; I22-E24 PolarHBondContact O-N 3.34Å; I22-I25 PolarHBondContact O-N 2.94Å; I22-G26 PolarHBondContact O-N 2.68Å; I22-I36 HydrophobicContact CG2-CG2 4.32Å; I22-I40 HydrophobicContact CB-CG1 3.89Å; I22-I40 HydrophobicContact CD1-CG1 4.15Å; I22-I40 HydrophobicContact CG2-CD1 4.46Å; I22-I40 HydrophobicContact CG2-CG1 3.69Å; I22-M43 HydrophobicContact CD1-CB 3.78Å; I22-M43 HydrophobicContact CD1-CG 4.04Å; I22-A61 HydrophobicContact CD1-CB 4.45Å; I22-A61 HydrophobicContact CG1-CB 3.74Å; I22-F65 HydrophobicContact CG2-CB 4.13Å; I22-F65 HydrophobicContact CG2-CD2 3.84Å; I22-F65 HydrophobicContact CG2-CG 4.28Å
23Q95.5Very high93.6Very high31 Ų3141.3 Ų41.315%0.14521%0.212CC..Hα-helixtrans-60.4-44.5176.5-178.77062.400112A19 C20 S27 I36 H159A19-Q23 PolarHBondContact O-N 3.02Å; C20-Q23 PolarHBondContact O-N 3.21Å; Q23-S27 PolarHBondContact NE2-OG 3.47Å; Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.38Å; Q23-S27 PolarHBondContact O-N 3.42Å; Q23-S27 PolarHBondContact O-OG 2.86Å; Q23-I36 HydrophobicContact CB-CG2 4.19Å; Q23-H159 PolarHBondContact OE1-CE1 3.25Å; Q23-H159 PolarHBondContact OE1-NE2 3.46Å
24E95.5Very high93.9Very high93 Ų9342.2 Ų42.244%0.43521%0.214SC..Hα-helixtrans-66-44.6176.7-76.9-69.4138.700112.4C20 L21 I22 G26 S27 R28 I88C20-E24 PolarHBondContact O-N 3.26Å; L21-E24 PolarHBondContact O-N 2.93Å; I22-E24 PolarHBondContact O-N 3.34Å; E24-G26 PolarHBondContact O-N 3.42Å; E24-S27 PolarHBondContact O-N 2.83Å; E24-R28 WeakPolarHBondContact O-CG 3.33Å; E24-R28 PolarHBondContact O-N 2.89Å; E24-I88 HydrophobicContact CB-CD1 3.53Å; E24-I88 HydrophobicContact CB-CG1 4.01Å; E24-I88 HydrophobicContact CB-CG2 4.16Å; E24-I88 HydrophobicContact CG-CG2 4.48Å
25I96.1Very high94.1Very high0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-58.8-50.6177.3-70.2165.2000110.2L21 I22 S27 R28 L29 A61 I62 F65 A84 A85 I88L21-I25 HydrophobicContact CD1-CD1 4.03Å; L21-I25 HydrophobicContact CD1-CG1 4.18Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 HydrophobicContact CG-CG1 4.47Å; L21-I25 WeakPolarHBondContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CD1 3.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.23Å; L21-I25 PolarHBondContact O-N 3.1Å; I22-I25 PolarHBondContact O-N 2.94Å; I25-S27 PolarHBondContact O-N 3.13Å; I25-R28 PolarHBondContact O-N 3.09Å; I25-L29 HydrophobicContact CG2-CD1 3.73Å; I25-L29 WeakPolarHBondContact O-CB 3.04Å; I25-L29 WeakPolarHBondContact O-CG 3.22Å; I25-L29 PolarHBondContact O-N 3.01Å; I25-A61 HydrophobicContact CD1-CB 4.44Å; I25-I62 HydrophobicContact CD1-CG1 4.35Å; I25-F65 HydrophobicContact CG2-CD1 3.63Å; I25-F65 HydrophobicContact CG2-CE1 3.81Å; I25-F65 HydrophobicContact CG2-CG 4.45Å; I25-A84 HydrophobicContact CG2-CB 4.49Å; I25-A85 HydrophobicContact CD1-CB 3.69Å; I25-A85 HydrophobicContact CG1-CB 4.08Å; I25-I88 HydrophobicContact CB-CD1 4.25Å; I25-I88 HydrophobicContact CG1-CD1 3.52Å
26G95.8Very high94.3Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-64.5-38.2179.800000113.2I22 E24 L29 Q30 T31 F65I22-G26 PolarHBondContact O-N 2.68Å; E24-G26 PolarHBondContact O-N 3.42Å; G26-L29 PolarHBondContact O-N 3.01Å; G26-Q30 PolarHBondContact O-N 3.43Å; G26-Q30 VanDerWaalsContact O-N 3.14Å; G26-T31 PolarHBondContact O-N 2.97Å; G26-F65 VanDerWaalsContact CA-CZ 3.49Å
27S94.2Very high94.5Very high61 Ų6138.2 Ų38.243%0.42720%0.198SC..Hα-helixtrans-64.7-41.7177.1-57.60000111.7Q23 E24 I25 Q30Q23-S27 PolarHBondContact NE2-OG 3.47Å; Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.38Å; Q23-S27 PolarHBondContact O-N 3.42Å; Q23-S27 PolarHBondContact O-OG 2.86Å; E24-S27 PolarHBondContact O-N 2.83Å; I25-S27 PolarHBondContact O-N 3.13Å; S27-Q30 PolarHBondContact O-N 3.22Å
28R94.4Very high94.8Very high115 Ų11536.6 Ų36.643%0.43419%0.19SC..Hα-helixtrans-66.9-34.8174.9-71.2-174.3-176-158.55.6113E24 I25 Q30 D87 I88E24-R28 WeakPolarHBondContact O-CG 3.33Å; E24-R28 PolarHBondContact O-N 2.89Å; I25-R28 PolarHBondContact O-N 3.09Å; R28-Q30 VanDerWaalsContact C-N 3.26Å; R28-Q30 PolarHBondContact O-N 3.28Å; R28-D87 VanDerWaalsContact NH1-CB 3.31Å; R28-D87 PolarHBondContact NH1-O 3.13Å; R28-D87 PolarHBondContact NH2-O 3.01Å; R28-I88 VanDerWaalsContact NE-CG1 3.33Å
29L94.4Very high94.9Very high28 Ų2836.6 Ų36.615%0.14719%0.19CC..THydrogen-bonded Turntrans-82.60.8178.9-68.4168.9000114.2I25 G26 T31 F65 F80 L81 A84I25-L29 HydrophobicContact CG2-CD1 3.73Å; I25-L29 WeakPolarHBondContact O-CB 3.04Å; I25-L29 WeakPolarHBondContact O-CG 3.22Å; I25-L29 PolarHBondContact O-N 3.01Å; G26-L29 PolarHBondContact O-N 3.01Å; L29-T31 PolarHBondContact O-N 2.73Å; L29-F65 HydrophobicContact CD1-CE1 3.8Å; L29-F80 HydrophobicContact CD2-CB 4.03Å; L29-L81 HydrophobicContact CD1-CD1 3.62Å; L29-L81 HydrophobicContact CD1-CG 3.74Å; L29-A84 HydrophobicContact CG-CB 4.44Å
30Q92.6Very high95Very high171 Ų17136.6 Ų36.680%0.79919%0.19SC*.THydrogen-bonded Turntrans56.745.7177.2-54.3178.519.600112.6G26 S27 R28G26-Q30 PolarHBondContact O-N 3.43Å; G26-Q30 VanDerWaalsContact O-N 3.14Å; S27-Q30 PolarHBondContact O-N 3.22Å; R28-Q30 VanDerWaalsContact C-N 3.26Å; R28-Q30 PolarHBondContact O-N 3.28Å
31T93.7Very high95.1Very high22 Ų2234.7 Ų34.714%0.13518%0.175CC..  trans-89.1174.9174.4-158.30000112.7G26 L29 V35 I36 F65 F74G26-T31 PolarHBondContact O-N 2.97Å; L29-T31 PolarHBondContact O-N 2.73Å; T31-V35 HydrophobicContact CG2-CB 4.02Å; T31-V35 WeakPolarHBondContact OG1-CB 3.45Å; T31-V35 VanDerWaalsContact OG1-CG2 3.25Å; T31-V35 WeakPolarHBondContact OG1-CG2 3.33Å; T31-I36 HydrophobicContact CG2-CD1 3.97Å; T31-I36 HydrophobicContact CG2-CG1 3.51Å; T31-F65 HydrophobicContact CG2-CE2 3.98Å; T31-F65 HydrophobicContact CG2-CZ 3.78Å; T31-F74 VanDerWaalsContact CA-CZ 3.47Å; T31-F74 WeakPolarHBondContact OG1-CD1 3.29Å; T31-F74 WeakPolarHBondContact OG1-CD2 3.31Å; T31-F74 WeakPolarHBondContact OG1-CE1 3.39Å; T31-F74 WeakPolarHBondContact OG1-CE2 3.22Å; T31-F74 WeakPolarHBondContact OG1-CG 3.48Å; T31-F74 WeakPolarHBondContact OG1-CZ 3.27Å
32T94.7Very high95.2Very high80 Ų8035 Ų3549%0.49118%0.176SC..  trans-81.9150.7172.688.10000111V34 V35 I36T32-V34 PolarHBondContact O-N 2.84Å; T32-V34 PolarHBondContact OG1-N 3.34Å; T32-V35 PolarHBondContact O-N 3.2Å; T32-I36 PolarHBondContact O-N 3.09Å
33Q93.9Very high95.1Very high48 Ų4835 Ų3522%0.22418%0.176CC..Hα-helixtrans-60.5-19.2176.7-169.762.54700112.9I36 N37 Y151Q33-I36 PolarHBondContact O-N 3.34Å; Q33-N37 PolarHBondContact NE2-OD1 3.19Å; Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.45Å; Q33-N37 PolarHBondContact O-N 3.3Å; Q33-N37 PolarHBondContact O-OD1 2.87Å; Q33-Y151 HydrophobicContact CG-CE1 4.48Å; Q33-Y151 VanDerWaalsContact CG-OH 3.28Å; Q33-Y151 WeakPolarHBondContact CG-OH 3.38Å
34V93.4Very high95.1Very high51 Ų5133.5 Ų33.531%0.30917%0.169SC..Hα-helixtrans-66.6-42.4174.8-171.60000111.1T32 N37 A38 E72 Q128T32-V34 PolarHBondContact O-N 2.84Å; T32-V34 PolarHBondContact OG1-N 3.34Å; V34-N37 PolarHBondContact O-N 3.46Å; V34-A38 WeakPolarHBondContact O-CB 3.42Å; V34-A38 PolarHBondContact O-N 3.09Å; V34-E72 WeakPolarHBondContact CG1-OE2 3.08Å; V34-Q128 PolarHBondContact O-NE2 2.72Å; V34-Q128 VanDerWaalsContact O-NE2 3.15Å
35V95.3Very high95Very high2 Ų231.9 Ų31.91%0.01216%0.159CC..Hα-helixtrans-65.5-40175.8-166.20000111.2T31 T32 A38 G39 F65 A68 E72 F74T31-V35 HydrophobicContact CG2-CB 4.02Å; T31-V35 WeakPolarHBondContact OG1-CB 3.45Å; T31-V35 VanDerWaalsContact OG1-CG2 3.25Å; T31-V35 WeakPolarHBondContact OG1-CG2 3.33Å; T32-V35 PolarHBondContact O-N 3.2Å; V35-A38 PolarHBondContact O-N 3.14Å; V35-G39 PolarHBondContact O-N 3.25Å; V35-F65 HydrophobicContact CG1-CE2 3.98Å; V35-F65 HydrophobicContact CG1-CZ 4.41Å; V35-A68 HydrophobicContact CG1-CB 4.1Å; V35-A68 WeakPolarHBondContact O-CB 3.4Å; V35-E72 HydrophobicContact CB-CB 4.42Å; V35-E72 HydrophobicContact CG1-CB 4.39Å; V35-E72 HydrophobicContact CG2-CB 3.75Å; V35-E72 HydrophobicContact CG2-CG 4.34Å; V35-F74 HydrophobicContact CG1-CB 4.41Å; V35-F74 HydrophobicContact CG2-CB 4.07Å; V35-F74 HydrophobicContact CG2-CG 4.46Å
36I96.4Very high94.9Very high4 Ų431.9 Ų31.92%0.02116%0.159CC..Hα-helixtrans-64-49.3176.1-58.3-176.8000110.1I22 Q23 T31 T32 Q33 A38 G39 I40 F65I22-I36 HydrophobicContact CG2-CG2 4.32Å; Q23-I36 HydrophobicContact CB-CG2 4.19Å; T31-I36 HydrophobicContact CG2-CD1 3.97Å; T31-I36 HydrophobicContact CG2-CG1 3.51Å; T32-I36 PolarHBondContact O-N 3.09Å; Q33-I36 PolarHBondContact O-N 3.34Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 2.92Å; I36-G39 PolarHBondContact O-N 3.35Å; I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 WeakPolarHBondContact O-CG1 3.22Å; I36-I40 PolarHBondContact O-N 2.81Å; I36-F65 HydrophobicContact CG1-CE2 4.23Å
37N96.1Very high94.9Very high1 Ų132.2 Ų32.21%0.00516%0.16CC..Hα-helixtrans-60.6-40.8178.1-71.4-3.2000111.9Q33 V34 I40 Y41 H130 L158Q33-N37 PolarHBondContact NE2-OD1 3.19Å; Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.45Å; Q33-N37 PolarHBondContact O-N 3.3Å; Q33-N37 PolarHBondContact O-OD1 2.87Å; V34-N37 PolarHBondContact O-N 3.46Å; N37-I40 PolarHBondContact O-N 2.96Å; N37-Y41 VanDerWaalsContact O-CB 3.29Å; N37-Y41 WeakPolarHBondContact O-CB 3.45Å; N37-Y41 PolarHBondContact O-N 2.72Å; N37-H130 PolarHBondContact ND2-CD2 3.47Å; N37-H130 PolarHBondContact ND2-CE1 2.87Å; N37-H130 VanDerWaalsContact ND2-CE1 3.27Å; N37-H130 VanDerWaalsContact ND2-CG 3.31Å; N37-H130 PolarHBondContact ND2-ND1 3.02Å; N37-H130 PolarHBondContact ND2-NE2 2.99Å; N37-L158 HydrophobicContact CB-CD2 3.74Å
38A95.1Very high94.7Very high0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-59.2-46.6174.200000111.6V34 V35 I36 I40 Y41 Y42 A68 E72V34-A38 WeakPolarHBondContact O-CB 3.42Å; V34-A38 PolarHBondContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 3.14Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 2.92Å; A38-I40 PolarHBondContact O-N 3.27Å; A38-Y41 WeakPolarHBondContact O-CB 3.48Å; A38-Y41 PolarHBondContact O-N 3.15Å; A38-Y42 HydrophobicContact CB-CE2 4.42Å; A38-Y42 WeakPolarHBondContact O-CD1 3.27Å; A38-Y42 PolarHBondContact O-N 2.9Å; A38-A68 HydrophobicContact CB-CB 3.78Å; A38-E72 HydrophobicContact CB-CG 4.17Å
39G96.5Very high94.6Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-61-41.9177.300000113V35 I36 M43 A64V35-G39 PolarHBondContact O-N 3.25Å; I36-G39 PolarHBondContact O-N 3.35Å; G39-M43 WeakPolarHBondContact O-CB 3.11Å; G39-M43 PolarHBondContact O-N 3.12Å; G39-A64 WeakPolarHBondContact O-CB 3.36Å
40I96.8Very high94.5Very high0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-67.7-39.7176.3-61171.3000110.6A19 I22 I36 N37 A38 M43 H44 L158 H159A19-I40 HydrophobicContact CB-CD1 4.3Å; A19-I40 HydrophobicContact CB-CG1 4.3Å; A19-I40 HydrophobicContact CB-CG2 3.79Å; I22-I40 HydrophobicContact CB-CG1 3.89Å; I22-I40 HydrophobicContact CD1-CG1 4.15Å; I22-I40 HydrophobicContact CG2-CD1 4.46Å; I22-I40 HydrophobicContact CG2-CG1 3.69Å; I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 WeakPolarHBondContact O-CG1 3.22Å; I36-I40 PolarHBondContact O-N 2.81Å; N37-I40 PolarHBondContact O-N 2.96Å; A38-I40 PolarHBondContact O-N 3.27Å; I40-M43 HydrophobicContact CG2-CE 3.83Å; I40-M43 WeakPolarHBondContact O-CB 3.39Å; I40-M43 PolarHBondContact O-N 2.69Å; I40-H44 PolarHBondContact O-CD2 3.47Å; I40-H44 VanDerWaalsContact O-CD2 3.26Å; I40-H44 PolarHBondContact O-N 2.87Å; I40-L158 HydrophobicContact CB-CD1 4.4Å; I40-L158 HydrophobicContact CB-CD2 4.42Å; I40-L158 HydrophobicContact CB-CG 4.25Å; I40-L158 HydrophobicContact CG2-CD1 3.87Å; I40-L158 HydrophobicContact CG2-CD2 4.44Å; I40-L158 HydrophobicContact CG2-CG 3.76Å; I40-L158 WeakPolarHBondContact CG2-O 3.17Å; I40-H159 WeakPolarHBondContact CD1-CE1 3.21Å; I40-H159 WeakPolarHBondContact CD1-NE2 3.49Å
41Y95.2Very high94.1Very high17 Ų1729.2 Ų29.27%0.06715%0.154CC..Hα-helixtrans-62.3-47.1176.1-168.2-111.8000111.5N37 A38 M43 H44 Y45 T123 L158 V164N37-Y41 VanDerWaalsContact O-CB 3.29Å; N37-Y41 WeakPolarHBondContact O-CB 3.45Å; N37-Y41 PolarHBondContact O-N 2.72Å; A38-Y41 WeakPolarHBondContact O-CB 3.48Å; A38-Y41 PolarHBondContact O-N 3.15Å; Y41-M43 VanDerWaalsContact C-N 3.33Å; Y41-M43 PolarHBondContact O-N 3.13Å; Y41-H44 WeakPolarHBondContact O-CB 3.39Å; Y41-H44 PolarHBondContact O-N 2.97Å; Y41-H44 VanDerWaalsContact O-N 3.12Å; Y41-Y45 HydrophobicContact CD1-CD2 4.43Å; Y41-Y45 HydrophobicContact CD1-CE2 4.3Å; Y41-Y45 HydrophobicContact CD2-CE2 4.3Å; Y41-Y45 HydrophobicContact CE1-CD2 4.29Å; Y41-Y45 AromaticContact CE1-CE2 3.77Å; Y41-Y45 HydrophobicContact CE1-CE2 3.77Å; Y41-Y45 AromaticContact CE2-CE2 3.74Å; Y41-Y45 HydrophobicContact CE2-CE2 3.74Å; Y41-Y45 AromaticContact CZ-CE2 3.44Å; Y41-Y45 VanDerWaalsContact CZ-CE2 3.44Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.2Å; Y41-Y45 PolarHBondContact O-N 2.91Å; Y41-Y45 PolarHBondContact OH-OH 2.91Å; Y41-T123 HydrophobicContact CE1-CG2 3.77Å; Y41-L158 HydrophobicContact CD2-CD1 4.4Å; Y41-V164 HydrophobicContact CD2-CB 4.26Å; Y41-V164 HydrophobicContact CD2-CG2 4.49Å; Y41-V164 HydrophobicContact CE2-CB 4.11Å
42Y95.7Very high93.6Very high11 Ų1128.5 Ų28.54%0.04315%0.149CC..Hα-helixtrans-63-37.8176-56.8-15.1000112.1A38 H44 Y45 F46 C67 A68 T71 I119 L124A38-Y42 HydrophobicContact CB-CE2 4.42Å; A38-Y42 WeakPolarHBondContact O-CD1 3.27Å; A38-Y42 PolarHBondContact O-N 2.9Å; Y42-H44 VanDerWaalsContact C-N 3.33Å; Y42-H44 PolarHBondContact O-N 3.41Å; Y42-Y45 PolarHBondContact O-N 2.93Å; Y42-F46 WeakPolarHBondContact O-CB 3.5Å; Y42-F46 PolarHBondContact O-N 2.81Å; Y42-C67 HydrophobicContact CD2-CB 4.02Å; Y42-C67 HydrophobicContact CE2-CB 4.22Å; Y42-A68 HydrophobicContact CD2-CB 4.27Å; Y42-A68 HydrophobicContact CE2-CB 3.96Å; Y42-T71 PolarHBondContact OH-OG1 2.66Å; Y42-I119 HydrophobicContact CD1-CD1 3.83Å; Y42-I119 HydrophobicContact CD1-CG2 4.32Å; Y42-I119 HydrophobicContact CD2-CD1 4.26Å; Y42-I119 HydrophobicContact CE1-CD1 4.06Å; Y42-I119 HydrophobicContact CE2-CD1 4.44Å; Y42-I119 HydrophobicContact CG-CD1 3.98Å; Y42-L124 HydrophobicContact CE1-CD2 3.72Å; Y42-L124 HydrophobicContact CE2-CD2 4.29Å; Y42-L124 VanDerWaalsContact CZ-CD2 3.49Å; Y42-L124 VanDerWaalsContact OH-CD2 3.23Å; Y42-L124 WeakPolarHBondContact OH-CD2 3.44Å
43M95.7Very high93Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-60.6-39.7172.7174.9-77.6-62.800112.2R15 C18 A19 I22 G39 I40 Y41 F46 Y47 V60 A64R15-M43 HydrophobicContact CB-SD 4.33Å; R15-M43 HydrophobicContact CG-SD 4.36Å; C18-M43 HydrophobicContact CB-CE 4.46Å; C18-M43 HydrophobicContact CB-CG 4.02Å; C18-M43 HydrophobicContact CB-SD 4.03Å; C18-M43 VanDerWaalsContact SG-CG 3.53Å; A19-M43 HydrophobicContact CB-CE 3.84Å; I22-M43 HydrophobicContact CD1-CB 3.78Å; I22-M43 HydrophobicContact CD1-CG 4.04Å; G39-M43 WeakPolarHBondContact O-CB 3.11Å; G39-M43 PolarHBondContact O-N 3.12Å; I40-M43 HydrophobicContact CG2-CE 3.83Å; I40-M43 WeakPolarHBondContact O-CB 3.39Å; I40-M43 PolarHBondContact O-N 2.69Å; Y41-M43 VanDerWaalsContact C-N 3.33Å; Y41-M43 PolarHBondContact O-N 3.13Å; M43-F46 PolarHBondContact O-N 3.11Å; M43-Y47 HydrophobicContact CG-CD2 3.96Å; M43-Y47 HydrophobicContact CG-CE2 4.02Å; M43-Y47 PolarHBondContact O-N 3.08Å; M43-Y47 HydrophobicContact SD-CD2 3.54Å; M43-Y47 VanDerWaalsContact SD-CD2 3.54Å; M43-Y47 HydrophobicContact SD-CE2 3.95Å; M43-V60 HydrophobicContact CB-CG1 4.45Å; M43-V60 HydrophobicContact CG-CG1 4.05Å; M43-A64 HydrophobicContact CB-CB 4.14Å
44H95.3Very high92.5Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-64.3-44.8176.9-90.1-76.5000112.8R15 I40 Y41 Y42 E48 T161 V164 L165R15-H44 PolarHBondContact NH1-CE1 2.94Å; R15-H44 PolarHBondContact NH1-ND1 3.08Å; R15-H44 PolarHBondContact NH1-O 2.97Å; I40-H44 PolarHBondContact O-CD2 3.47Å; I40-H44 VanDerWaalsContact O-CD2 3.26Å; I40-H44 PolarHBondContact O-N 2.87Å; Y41-H44 WeakPolarHBondContact O-CB 3.39Å; Y41-H44 PolarHBondContact O-N 2.97Å; Y41-H44 VanDerWaalsContact O-N 3.12Å; Y42-H44 VanDerWaalsContact C-N 3.33Å; Y42-H44 PolarHBondContact O-N 3.41Å; H44-E48 PolarHBondContact O-N 3Å; H44-T161 PolarHBondContact NE2-O 3.22Å; H44-V164 HydrophobicContact CB-CG2 4Å; H44-L165 HydrophobicContact CB-CD1 4.15Å; H44-L165 HydrophobicContact CB-CD2 4.08Å; H44-L165 HydrophobicContact CB-CG 4.27Å; H44-L165 VanDerWaalsContact CE1-CD1 3.45Å; H44-L165 WeakPolarHBondContact CE1-CD1 3.29Å; H44-L165 WeakPolarHBondContact O-CD1 3.4Å
45Y93.9Very high92.1Very high58 Ų5832.3 Ų32.323%0.22717%0.166CC..Hα-helixtrans-67-41.9176.3-84.8-100.1000111.8Y41 Y42 Y47 E48 V118 I119 T123 L165Y41-Y45 HydrophobicContact CD1-CD2 4.43Å; Y41-Y45 HydrophobicContact CD1-CE2 4.3Å; Y41-Y45 HydrophobicContact CD2-CE2 4.3Å; Y41-Y45 HydrophobicContact CE1-CD2 4.29Å; Y41-Y45 AromaticContact CE1-CE2 3.77Å; Y41-Y45 HydrophobicContact CE1-CE2 3.77Å; Y41-Y45 AromaticContact CE2-CE2 3.74Å; Y41-Y45 HydrophobicContact CE2-CE2 3.74Å; Y41-Y45 AromaticContact CZ-CE2 3.44Å; Y41-Y45 VanDerWaalsContact CZ-CE2 3.44Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.2Å; Y41-Y45 PolarHBondContact O-N 2.91Å; Y41-Y45 PolarHBondContact OH-OH 2.91Å; Y42-Y45 PolarHBondContact O-N 2.93Å; Y45-Y47 VanDerWaalsContact C-N 3.33Å; Y45-Y47 PolarHBondContact O-N 3.15Å; Y45-E48 WeakPolarHBondContact O-CB 3.41Å; Y45-E48 PolarHBondContact O-N 2.88Å; Y45-V118 WeakPolarHBondContact O-CG1 3.42Å; Y45-I119 HydrophobicContact CG-CG2 4.4Å; Y45-T123 HydrophobicContact CD1-CG2 4.06Å; Y45-T123 HydrophobicContact CD2-CG2 4.2Å; Y45-T123 HydrophobicContact CE1-CG2 3.77Å; Y45-T123 HydrophobicContact CE2-CG2 3.92Å; Y45-T123 HydrophobicContact CG-CG2 4.28Å; Y45-L165 HydrophobicContact CD1-CD2 4.21Å; Y45-L165 HydrophobicContact CD2-CD2 3.47Å; Y45-L165 VanDerWaalsContact CD2-CD2 3.47Å; Y45-L165 HydrophobicContact CE1-CD2 4.28Å; Y45-L165 HydrophobicContact CE2-CD2 3.54Å; Y45-L165 HydrophobicContact CG-CD2 3.82Å
46F94.6Very high91.6Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-56.1-46.9176.3-176.2-98.5000112.4Y42 M43 E48 V49 F50 I55 V60 L111 T114 I115Y42-F46 WeakPolarHBondContact O-CB 3.5Å; Y42-F46 PolarHBondContact O-N 2.81Å; M43-F46 PolarHBondContact O-N 3.11Å; F46-E48 PolarHBondContact O-N 2.9Å; F46-V49 PolarHBondContact O-N 3.4Å; F46-F50 HydrophobicContact CD1-CB 4.49Å; F46-F50 HydrophobicContact CD1-CD2 4.47Å; F46-F50 AromaticContact CD2-CD2 3.9Å; F46-F50 HydrophobicContact CD2-CD2 3.9Å; F46-F50 HydrophobicContact CD2-CE2 4.31Å; F46-F50 HydrophobicContact CE1-CB 4.04Å; F46-F50 HydrophobicContact CE1-CD2 4.13Å; F46-F50 HydrophobicContact CE1-CG 4.31Å; F46-F50 AromaticContact CE2-CD2 3.52Å; F46-F50 HydrophobicContact CE2-CD2 3.52Å; F46-F50 AromaticContact CE2-CE2 3.82Å; F46-F50 HydrophobicContact CE2-CE2 3.82Å; F46-F50 HydrophobicContact CE2-CG 4.35Å; F46-F50 HydrophobicContact CG-CD2 4.38Å; F46-F50 HydrophobicContact CZ-CB 4.27Å; F46-F50 AromaticContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CE2 4.26Å; F46-F50 HydrophobicContact CZ-CG 4.03Å; F46-F50 PolarHBondContact O-N 3.47Å; F46-I55 HydrophobicContact CE1-CB 4.4Å; F46-I55 HydrophobicContact CE1-CD1 3.95Å; F46-I55 HydrophobicContact CE1-CG2 4.34Å; F46-I55 HydrophobicContact CZ-CD1 3.58Å; F46-V60 HydrophobicContact CD1-CB 4.49Å; F46-V60 HydrophobicContact CD1-CG1 3.65Å; F46-V60 HydrophobicContact CD1-CG2 3.97Å; F46-V60 HydrophobicContact CE1-CG1 4.13Å; F46-V60 HydrophobicContact CE1-CG2 3.59Å; F46-V60 HydrophobicContact CG-CG1 4.34Å; F46-V60 HydrophobicContact CZ-CG2 4.49Å; F46-L111 HydrophobicContact CE2-CD2 4.39Å; F46-L111 HydrophobicContact CZ-CD2 3.8Å; F46-T114 HydrophobicContact CE2-CG2 3.85Å; F46-I115 HydrophobicContact CB-CG1 4.24Å; F46-I115 HydrophobicContact CD2-CB 4.34Å; F46-I115 HydrophobicContact CD2-CD1 4.39Å; F46-I115 HydrophobicContact CD2-CG1 3.34Å; F46-I115 HydrophobicContact CE2-CG1 3.81Å; F46-I115 HydrophobicContact CG-CG1 3.9Å
47Y94.3Very high91.2Very high7 Ų738 Ų383%0.02719%0.191CC..Hα-helixtrans-77.81.5178.8-73.8-41.9000115.2R15 C18 M43 Y45 F50 P52 I55 P57 V60R15-Y47 HydrophobicContact CG-CD2 3.95Å; R15-Y47 HydrophobicContact CG-CG 4.49Å; R15-Y47 PolarHBondContact NH2-O 3.26Å; C18-Y47 HydrophobicContact CB-CE2 4.16Å; M43-Y47 HydrophobicContact CG-CD2 3.96Å; M43-Y47 HydrophobicContact CG-CE2 4.02Å; M43-Y47 PolarHBondContact O-N 3.08Å; M43-Y47 HydrophobicContact SD-CD2 3.54Å; M43-Y47 VanDerWaalsContact SD-CD2 3.54Å; M43-Y47 HydrophobicContact SD-CE2 3.95Å; Y45-Y47 VanDerWaalsContact C-N 3.33Å; Y45-Y47 PolarHBondContact O-N 3.15Å; Y47-F50 CarbonylContact C-O 3.55Å; Y47-F50 VanDerWaalsContact CA-O 3.24Å; Y47-F50 WeakPolarHBondContact CA-O 3.23Å; Y47-F50 WeakPolarHBondContact CD1-O 3.4Å; Y47-P52 HydrophobicContact CD1-CB 4.25Å; Y47-P52 HydrophobicContact CD1-CG 3.92Å; Y47-P52 HydrophobicContact CD2-CG 4.29Å; Y47-P52 VanDerWaalsContact CE1-CA 3.5Å; Y47-P52 HydrophobicContact CE1-CB 4.05Å; Y47-P52 HydrophobicContact CE1-CG 4.24Å; Y47-P52 HydrophobicContact CE2-CB 4.47Å; Y47-P52 HydrophobicContact CG-CG 3.95Å; Y47-I55 PolarHBondContact OH-O 3.19Å; Y47-P57 WeakPolarHBondContact OH-CA 3.42Å; Y47-V60 HydrophobicContact CE1-CB 4.47Å; Y47-V60 HydrophobicContact CE1-CG1 4.4Å; Y47-V60 HydrophobicContact CE1-CG2 3.83Å; Y47-V60 HydrophobicContact CE2-CB 4.32Å; Y47-V60 HydrophobicContact CE2-CG1 4.01Å; Y47-V60 WeakPolarHBondContact OH-CG2 3.38Å
48E91.5Very high91Very high115 Ų11538.6 Ų38.654%0.53719%0.194SC..Hα-helixtrans-81.5-26.8166.4-154.966.717900111.5R15 H44 Y45 F46 L165R15-E48 IonicContact CZ-OE2 3.79Å; R15-E48 IonicContact NH1-OE2 2.65Å; R15-E48 IonicContact NH2-OE2 3.64Å; R15-E48 PolarHBondContact NH2-OE2 2.81Å; H44-E48 PolarHBondContact O-N 3Å; Y45-E48 WeakPolarHBondContact O-CB 3.41Å; Y45-E48 PolarHBondContact O-N 2.88Å; F46-E48 PolarHBondContact O-N 2.9Å; E48-L165 HydrophobicContact CB-CD1 4.29Å; E48-L165 HydrophobicContact CG-CD1 4.35Å; E48-L165 WeakPolarHBondContact OE2-CD1 3.46Å
49V91.8Very high91Very high95 Ų9540.1 Ų40.158%0.57620%0.202SC*.Hα-helixtrans-96.3-34.7176.5-178.80000112F46 V118F46-V49 PolarHBondContact O-N 3.4Å; V49-V118 HydrophobicContact CB-CG1 4.29Å; V49-V118 HydrophobicContact CB-CG2 4.2Å; V49-V118 HydrophobicContact CG1-CG2 4.34Å; V49-V118 HydrophobicContact CG2-CG1 3.65Å; V49-V118 HydrophobicContact CG2-CG2 4.15Å
50F91.4Very high91Very high65 Ų6540.1 Ų40.129%0.28520%0.202SC..SBendtrans-115.6139.5-177.5-63-80.1000112F46 Y47 I55 T114 V118F46-F50 HydrophobicContact CD1-CB 4.49Å; F46-F50 HydrophobicContact CD1-CD2 4.47Å; F46-F50 AromaticContact CD2-CD2 3.9Å; F46-F50 HydrophobicContact CD2-CD2 3.9Å; F46-F50 HydrophobicContact CD2-CE2 4.31Å; F46-F50 HydrophobicContact CE1-CB 4.04Å; F46-F50 HydrophobicContact CE1-CD2 4.13Å; F46-F50 HydrophobicContact CE1-CG 4.31Å; F46-F50 AromaticContact CE2-CD2 3.52Å; F46-F50 HydrophobicContact CE2-CD2 3.52Å; F46-F50 AromaticContact CE2-CE2 3.82Å; F46-F50 HydrophobicContact CE2-CE2 3.82Å; F46-F50 HydrophobicContact CE2-CG 4.35Å; F46-F50 HydrophobicContact CG-CD2 4.38Å; F46-F50 HydrophobicContact CZ-CB 4.27Å; F46-F50 AromaticContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CE2 4.26Å; F46-F50 HydrophobicContact CZ-CG 4.03Å; F46-F50 PolarHBondContact O-N 3.47Å; Y47-F50 CarbonylContact C-O 3.55Å; Y47-F50 VanDerWaalsContact CA-O 3.24Å; Y47-F50 WeakPolarHBondContact CA-O 3.23Å; Y47-F50 WeakPolarHBondContact CD1-O 3.4Å; F50-I55 HydrophobicContact CB-CD1 4.17Å; F50-I55 HydrophobicContact CD1-CD1 3.99Å; F50-I55 HydrophobicContact CG-CD1 4.06Å; F50-T114 HydrophobicContact CE2-CG2 3.48Å; F50-T114 VanDerWaalsContact CE2-CG2 3.48Å; F50-T114 HydrophobicContact CZ-CG2 3.62Å; F50-V118 HydrophobicContact CD2-CG2 4.45Å; F50-V118 HydrophobicContact CE2-CG2 3.81Å
51S85.8Confident91Very high38 Ų3840.1 Ų40.127%0.26620%0.202SC..  trans-67.2138.7174.11730000111.4H11 E53 T54H11-S51 PolarHBondContact NE2-OG 2.91Å; S51-E53 PolarHBondContact O-N 3.35Å; S51-E53 WeakPolarHBondContact OG-CB 3.22Å; S51-E53 PolarHBondContact OG-N 3.14Å; S51-T54 PolarHBondContact O-N 3.26Å; S51-T54 VanDerWaalsContact O-N 3.15Å; S51-T54 PolarHBondContact O-OG1 2.97Å; S51-T54 VanDerWaalsContact O-OG1 3.07Å
52P81.9Confident91.1Very high6 Ų639.3 Ų39.34%0.03920%0.199CC..THydrogen-bonded Turntrans-59.3-11167.9-22.133000115.2H11 R14 R15 Y47H11-P52 HydrophobicContact CB-CG 4.37Å; R14-P52 HydrophobicContact CB-CB 3.49Å; R14-P52 VanDerWaalsContact CB-CB 3.49Å; R14-P52 HydrophobicContact CB-CG 4.28Å; R14-P52 HydrophobicContact CG-CB 4.09Å; R15-P52 HydrophobicContact CG-CG 4.41Å; Y47-P52 HydrophobicContact CD1-CB 4.25Å; Y47-P52 HydrophobicContact CD1-CG 3.92Å; Y47-P52 HydrophobicContact CD2-CG 4.29Å; Y47-P52 VanDerWaalsContact CE1-CA 3.5Å; Y47-P52 HydrophobicContact CE1-CB 4.05Å; Y47-P52 HydrophobicContact CE1-CG 4.24Å; Y47-P52 HydrophobicContact CE2-CB 4.47Å; Y47-P52 HydrophobicContact CG-CG 3.95Å
53E82.7Confident91.2Very high126 Ų12638.8 Ų38.859%0.58920%0.197SC*.THydrogen-bonded Turntrans-86.2-29.7175.3-56-165.3141.300113.3L10 S51L10-E53 VanDerWaalsContact CD2-OE1 3.31Å; L10-E53 WeakPolarHBondContact CD2-OE1 3.34Å; S51-E53 PolarHBondContact O-N 3.35Å; S51-E53 WeakPolarHBondContact OG-CB 3.22Å; S51-E53 PolarHBondContact OG-N 3.14Å
54T83.2Confident91.2Very high102 Ų10238.8 Ų38.863%0.62620%0.197SC*.THydrogen-bonded Turntrans-82.9-28.4-177.657.40000112.9S51S51-T54 PolarHBondContact O-N 3.26Å; S51-T54 VanDerWaalsContact O-N 3.15Å; S51-T54 PolarHBondContact O-OG1 2.97Å; S51-T54 VanDerWaalsContact O-OG1 3.07Å
55I85.3Confident91.3Very high32 Ų3238.8 Ų38.816%0.16420%0.197CC..SBendtrans-129.4108.4-176.1-53.2177.7000110F46 Y47 F50 V60 L111F46-I55 HydrophobicContact CE1-CB 4.4Å; F46-I55 HydrophobicContact CE1-CD1 3.95Å; F46-I55 HydrophobicContact CE1-CG2 4.34Å; F46-I55 HydrophobicContact CZ-CD1 3.58Å; Y47-I55 PolarHBondContact OH-O 3.19Å; F50-I55 HydrophobicContact CB-CD1 4.17Å; F50-I55 HydrophobicContact CD1-CD1 3.99Å; F50-I55 HydrophobicContact CG-CD1 4.06Å; I55-V60 HydrophobicContact CB-CG2 4.22Å; I55-V60 HydrophobicContact CG2-CG2 3.58Å; I55-L111 HydrophobicContact CD1-CD2 4.13Å; I55-L111 HydrophobicContact CG2-CD1 4.09Å; I55-L111 HydrophobicContact CG2-CD2 3.81Å
56K84.8Confident91.5Very high118 Ų11837.4 Ų37.451%0.51319%0.191SC..  trans-48.5129.9-173-70.4-165.9165.6-1500112.7I58 L59 V60 F467K56-I58 VanDerWaalsContact C-N 3.26Å; K56-I58 HydrophobicContact CB-CG2 4.16Å; K56-I58 PolarHBondContact O-N 3.14Å; K56-I58 VanDerWaalsContact O-N 3.09Å; K56-L59 HydrophobicContact CB-CD1 4.46Å; K56-L59 HydrophobicContact CB-CG 4.42Å; K56-L59 PolarHBondContact O-N 3.19Å; K56-V60 PolarHBondContact O-N 3.27Å; K56-F467 PolarHBondContact NZ-OXT 3.34Å
57P87.9Confident91.5Very high7 Ų737.5 Ų37.55%0.04519%0.192CC..Hα-helixtrans-52-34.3-179.5-31.836.8000116C18 Y47 L59 V60 A61 F467C18-P57 HydrophobicContact CB-CB 4.2Å; C18-P57 PolarHBondContact SG-O 2.95Å; C18-P57 VanDerWaalsContact SG-O 3.38Å; Y47-P57 WeakPolarHBondContact OH-CA 3.42Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 2.8Å; P57-V60 PolarHBondContact O-N 2.89Å; P57-A61 VanDerWaalsContact O-CB 3.22Å; P57-A61 WeakPolarHBondContact O-CB 3.33Å; P57-A61 PolarHBondContact O-N 3.07Å; P57-F467 HydrophobicContact CB-CE1 4.02Å
58I92.3Very high91.5Very high14 Ų1437.2 Ų37.27%0.07219%0.191CC..Hα-helixtrans-59-40.6174.5-171.9-177.8000112.7L21 K56 I62 A85 Y86 L89 F467L21-I58 HydrophobicContact CD2-CB 4.32Å; L21-I58 HydrophobicContact CD2-CG1 4.36Å; K56-I58 VanDerWaalsContact C-N 3.26Å; K56-I58 HydrophobicContact CB-CG2 4.16Å; K56-I58 PolarHBondContact O-N 3.14Å; K56-I58 VanDerWaalsContact O-N 3.09Å; I58-I62 HydrophobicContact CG1-CD1 3.91Å; I58-I62 WeakPolarHBondContact O-CD1 3.26Å; I58-I62 VanDerWaalsContact O-CG1 3.23Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.35Å; I58-I62 VanDerWaalsContact O-N 3.1Å; I58-A85 HydrophobicContact CG1-CB 4.47Å; I58-Y86 HydrophobicContact CD1-CD2 4.03Å; I58-Y86 HydrophobicContact CD1-CE2 3.72Å; I58-L89 HydrophobicContact CB-CD1 4.34Å; I58-L89 HydrophobicContact CD1-CD1 3.65Å; I58-L89 HydrophobicContact CG1-CD1 4.02Å; I58-F467 HydrophobicContact CB-CD1 3.85Å; I58-F467 HydrophobicContact CB-CE1 4.15Å; I58-F467 HydrophobicContact CG2-CD1 4.39Å
59L94.6Very high91.7Very high32 Ų3231.8 Ų31.817%0.16817%0.166CC..Hα-helixtrans-72.8-41.3-178.2-62.5179.1000111.2K56 P57 A63 L104 L111K56-L59 HydrophobicContact CB-CD1 4.46Å; K56-L59 HydrophobicContact CB-CG 4.42Å; K56-L59 PolarHBondContact O-N 3.19Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 2.8Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.87Å; L59-L104 HydrophobicContact CD2-CD1 3.37Å; L59-L111 HydrophobicContact CB-CD1 3.61Å; L59-L111 HydrophobicContact CD1-CD1 4.45Å
60V96Very high91.8Very high0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-67.2-41.5176.6-176.30000110.9M43 F46 Y47 I55 K56 P57 A63 A64M43-V60 HydrophobicContact CB-CG1 4.45Å; M43-V60 HydrophobicContact CG-CG1 4.05Å; F46-V60 HydrophobicContact CD1-CB 4.49Å; F46-V60 HydrophobicContact CD1-CG1 3.65Å; F46-V60 HydrophobicContact CD1-CG2 3.97Å; F46-V60 HydrophobicContact CE1-CG1 4.13Å; F46-V60 HydrophobicContact CE1-CG2 3.59Å; F46-V60 HydrophobicContact CG-CG1 4.34Å; F46-V60 HydrophobicContact CZ-CG2 4.49Å; Y47-V60 HydrophobicContact CE1-CB 4.47Å; Y47-V60 HydrophobicContact CE1-CG1 4.4Å; Y47-V60 HydrophobicContact CE1-CG2 3.83Å; Y47-V60 HydrophobicContact CE2-CB 4.32Å; Y47-V60 HydrophobicContact CE2-CG1 4.01Å; Y47-V60 WeakPolarHBondContact OH-CG2 3.38Å; I55-V60 HydrophobicContact CB-CG2 4.22Å; I55-V60 HydrophobicContact CG2-CG2 3.58Å; K56-V60 PolarHBondContact O-N 3.27Å; P57-V60 PolarHBondContact O-N 2.89Å; V60-A63 PolarHBondContact O-N 3.19Å; V60-A64 WeakPolarHBondContact O-CB 3.39Å; V60-A64 PolarHBondContact O-N 2.86Å
61A96.8Very high91.7Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-59.3-48.6175.600000112L21 I22 I25 P57 F65L21-A61 HydrophobicContact CB-CB 4.22Å; L21-A61 HydrophobicContact CD2-CB 3.73Å; L21-A61 HydrophobicContact CG-CB 3.89Å; I22-A61 HydrophobicContact CD1-CB 4.45Å; I22-A61 HydrophobicContact CG1-CB 3.74Å; I25-A61 HydrophobicContact CD1-CB 4.44Å; P57-A61 VanDerWaalsContact O-CB 3.22Å; P57-A61 WeakPolarHBondContact O-CB 3.33Å; P57-A61 PolarHBondContact O-N 3.07Å; A61-F65 WeakPolarHBondContact O-CB 3.38Å; A61-F65 PolarHBondContact O-N 3.39Å; A61-F65 VanDerWaalsContact O-N 3.14Å
62I97.4Very high92Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-63.8-47.1177.7-66.1165.5000110.5I25 I58 Y66 L78 L81 I82 A85 V108I25-I62 HydrophobicContact CD1-CG1 4.35Å; I58-I62 HydrophobicContact CG1-CD1 3.91Å; I58-I62 WeakPolarHBondContact O-CD1 3.26Å; I58-I62 VanDerWaalsContact O-CG1 3.23Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.35Å; I58-I62 VanDerWaalsContact O-N 3.1Å; I62-Y66 WeakPolarHBondContact O-CB 3.37Å; I62-Y66 PolarHBondContact O-N 3.25Å; I62-L78 HydrophobicContact CG2-CD1 3.64Å; I62-L81 HydrophobicContact CG2-CB 4.36Å; I62-I82 HydrophobicContact CD1-CG1 4.34Å; I62-I82 HydrophobicContact CG2-CG1 4.24Å; I62-A85 HydrophobicContact CD1-CB 3.72Å; I62-A85 HydrophobicContact CG1-CB 3.76Å; I62-V108 HydrophobicContact CB-CG2 4.46Å; I62-V108 HydrophobicContact CG2-CG1 4.15Å; I62-V108 HydrophobicContact CG2-CG2 3.89Å
63A97.4Very high92.3Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-68.3-48.9-176.300000112.8L59 V60 F65 Y66 C67 V108 L111 I115L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.87Å; V60-A63 PolarHBondContact O-N 3.19Å; A63-F65 PolarHBondContact O-N 3.34Å; A63-Y66 PolarHBondContact O-N 3.34Å; A63-Y66 VanDerWaalsContact O-N 3.15Å; A63-C67 PolarHBondContact O-N 2.99Å; A63-C67 PolarHBondContact O-SG 3.29Å; A63-V108 HydrophobicContact CB-CG1 4.09Å; A63-L111 HydrophobicContact CB-CB 3.75Å; A63-I115 HydrophobicContact CB-CD1 3.62Å
64A96.9Very high92.6Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-63.8-40.2-179.900000112G39 M43 V60 C67 A68 I115G39-A64 WeakPolarHBondContact O-CB 3.36Å; M43-A64 HydrophobicContact CB-CB 4.14Å; V60-A64 WeakPolarHBondContact O-CB 3.39Å; V60-A64 PolarHBondContact O-N 2.86Å; A64-C67 PolarHBondContact O-N 3.08Å; A64-A68 PolarHBondContact O-N 2.89Å; A64-I115 HydrophobicContact CB-CD1 4.06Å
65F97.3Very high92.8Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-69.8-33.2174-174.4-107.1000112.6I22 I25 G26 L29 T31 V35 I36 A61 A63 A68 C69 L81I22-F65 HydrophobicContact CG2-CB 4.13Å; I22-F65 HydrophobicContact CG2-CD2 3.84Å; I22-F65 HydrophobicContact CG2-CG 4.28Å; I25-F65 HydrophobicContact CG2-CD1 3.63Å; I25-F65 HydrophobicContact CG2-CE1 3.81Å; I25-F65 HydrophobicContact CG2-CG 4.45Å; G26-F65 VanDerWaalsContact CA-CZ 3.49Å; L29-F65 HydrophobicContact CD1-CE1 3.8Å; T31-F65 HydrophobicContact CG2-CE2 3.98Å; T31-F65 HydrophobicContact CG2-CZ 3.78Å; V35-F65 HydrophobicContact CG1-CE2 3.98Å; V35-F65 HydrophobicContact CG1-CZ 4.41Å; I36-F65 HydrophobicContact CG1-CE2 4.23Å; A61-F65 WeakPolarHBondContact O-CB 3.38Å; A61-F65 PolarHBondContact O-N 3.39Å; A61-F65 VanDerWaalsContact O-N 3.14Å; A63-F65 PolarHBondContact O-N 3.34Å; F65-A68 PolarHBondContact O-N 3.13Å; F65-C69 WeakPolarHBondContact CE1-SG 3.49Å; F65-C69 VanDerWaalsContact CZ-SG 3.55Å; F65-C69 WeakPolarHBondContact O-CB 3.36Å; F65-C69 PolarHBondContact O-N 3.39Å; F65-C69 PolarHBondContact O-SG 3.16Å; F65-L81 HydrophobicContact CD1-CD2 3.74Å; F65-L81 HydrophobicContact CD1-CG 4.04Å; F65-L81 HydrophobicContact CE1-CD2 4.24Å; F65-L81 HydrophobicContact CE1-CG 4.24Å
66Y97.2Very high93.1Very high29 Ų2940 Ų4011%0.11420%0.195CC..Hα-helixtrans-67.5-38.4174-176.2-132.1000112.4I62 A63 C69 K70 L78 L81 V108 H109 E112I62-Y66 WeakPolarHBondContact O-CB 3.37Å; I62-Y66 PolarHBondContact O-N 3.25Å; A63-Y66 PolarHBondContact O-N 3.34Å; A63-Y66 VanDerWaalsContact O-N 3.15Å; Y66-C69 PolarHBondContact O-N 2.96Å; Y66-K70 PolarHBondContact O-N 3.44Å; Y66-K70 PolarHBondContact OH-NZ 2.95Å; Y66-L78 HydrophobicContact CD1-CD1 4.27Å; Y66-L78 HydrophobicContact CD2-CB 4.49Å; Y66-L78 HydrophobicContact CD2-CD1 4.45Å; Y66-L78 HydrophobicContact CE1-CB 4.37Å; Y66-L78 HydrophobicContact CE1-CD2 4.18Å; Y66-L78 HydrophobicContact CE2-CB 4.01Å; Y66-L78 HydrophobicContact CG-CD1 4.2Å; Y66-L81 HydrophobicContact CD2-CD2 3.92Å; Y66-L81 HydrophobicContact CG-CD2 4.2Å; Y66-V108 HydrophobicContact CD1-CG1 4.2Å; Y66-H109 AromaticContact CE1-CD2 3.82Å; Y66-H109 AromaticContact CE1-NE2 3.8Å; Y66-E112 WeakPolarHBondContact CE1-OE2 3.42Å
67C94.8Very high93.5Very high2 Ų241.4 Ų41.41%0.01420%0.201CC..Hα-helixtrans-60.2-48.5169.4-63.20000111Y42 A63 A64 C69 K70 T71Y42-C67 HydrophobicContact CD2-CB 4.02Å; Y42-C67 HydrophobicContact CE2-CB 4.22Å; A63-C67 PolarHBondContact O-N 2.99Å; A63-C67 PolarHBondContact O-SG 3.29Å; A64-C67 PolarHBondContact O-N 3.08Å; C67-C69 VanDerWaalsContact C-N 3.33Å; C67-C69 PolarHBondContact O-N 2.9Å; C67-K70 WeakPolarHBondContact O-CB 3.23Å; C67-K70 PolarHBondContact O-N 3.26Å; C67-T71 PolarHBondContact O-N 2.73Å; C67-T71 PolarHBondContact O-OG1 2.77Å
68A94.8Very high93.9Very high0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-60-39.3177.500000113.3V35 A38 Y42 A64 F65 K70 T71 E72V35-A68 HydrophobicContact CG1-CB 4.1Å; V35-A68 WeakPolarHBondContact O-CB 3.4Å; A38-A68 HydrophobicContact CB-CB 3.78Å; Y42-A68 HydrophobicContact CD2-CB 4.27Å; Y42-A68 HydrophobicContact CE2-CB 3.96Å; A64-A68 PolarHBondContact O-N 2.89Å; F65-A68 PolarHBondContact O-N 3.13Å; A68-K70 PolarHBondContact O-N 2.77Å; A68-T71 WeakPolarHBondContact CA-OG1 3.38Å; A68-T71 PolarHBondContact O-N 2.94Å; A68-T71 PolarHBondContact O-OG1 3.26Å; A68-E72 WeakPolarHBondContact O-CB 3.1Å; A68-E72 PolarHBondContact O-N 2.86Å
69C95.4Very high94Very high1 Ų141.6 Ų41.61%0.00720%0.202CC..Hα-helixtrans-60.1-26.9172.9-71.10000113F65 Y66 C67 F74 S75F65-C69 WeakPolarHBondContact CE1-SG 3.49Å; F65-C69 VanDerWaalsContact CZ-SG 3.55Å; F65-C69 WeakPolarHBondContact O-CB 3.36Å; F65-C69 PolarHBondContact O-N 3.39Å; F65-C69 PolarHBondContact O-SG 3.16Å; Y66-C69 PolarHBondContact O-N 2.96Å; C67-C69 VanDerWaalsContact C-N 3.33Å; C67-C69 PolarHBondContact O-N 2.9Å; C69-F74 HydrophobicContact CB-CD1 4.42Å; C69-F74 WeakPolarHBondContact CB-O 3.48Å; C69-F74 CarbonylContact O-C 3.43Å; C69-F74 WeakPolarHBondContact O-CA 3.48Å; C69-F74 PolarHBondContact O-N 3.47Å; C69-F74 VanDerWaalsContact O-O 3.06Å; C69-S75 PolarHBondContact O-N 3.04Å
70K93.1Very high94.1Very high93 Ų9345.2 Ų45.240%0.40422%0.217SC..Hα-helixtrans-87.7-37.3177.9-68.1174.4-175178.10112.8Y66 C67 A68 E112Y66-K70 PolarHBondContact O-N 3.44Å; Y66-K70 PolarHBondContact OH-NZ 2.95Å; C67-K70 WeakPolarHBondContact O-CB 3.23Å; C67-K70 PolarHBondContact O-N 3.26Å; A68-K70 PolarHBondContact O-N 2.77Å; K70-E112 VanDerWaalsContact CD-OE1 3.28Å; K70-E112 WeakPolarHBondContact CD-OE1 3.36Å; K70-E112 WeakPolarHBondContact CE-OE1 3.43Å; K70-E112 IonicContact NZ-OE1 2.7Å; K70-E112 PolarHBondContact NZ-OE1 3.49Å; K70-E112 IonicContact NZ-OE2 3.1Å; K70-E112 PolarHBondContact NZ-OE2 3.17Å
71T90.9Very high94.1Very high59 Ų5945.2 Ų45.236%0.36222%0.217SC..Hα-helixtrans-75-36.3-178.650.90000112.4Y42 C67 A68 E73 L124Y42-T71 PolarHBondContact OH-OG1 2.66Å; C67-T71 PolarHBondContact O-N 2.73Å; C67-T71 PolarHBondContact O-OG1 2.77Å; A68-T71 WeakPolarHBondContact CA-OG1 3.38Å; A68-T71 PolarHBondContact O-N 2.94Å; A68-T71 PolarHBondContact O-OG1 3.26Å; T71-E73 VanDerWaalsContact C-N 3.3Å; T71-E73 PolarHBondContact O-N 3.29Å; T71-L124 HydrophobicContact CG2-CD2 3.95Å
72E90.5Very high94.1Very high77 Ų7745.2 Ų45.236%0.3622%0.217SC..THydrogen-bonded Turntrans-9430.5179.7-57.7-79.8166.600112.5V34 V35 A38 A68 F74V34-E72 WeakPolarHBondContact CG1-OE2 3.08Å; V35-E72 HydrophobicContact CB-CB 4.42Å; V35-E72 HydrophobicContact CG1-CB 4.39Å; V35-E72 HydrophobicContact CG2-CB 3.75Å; V35-E72 HydrophobicContact CG2-CG 4.34Å; A38-E72 HydrophobicContact CB-CG 4.17Å; A68-E72 WeakPolarHBondContact O-CB 3.1Å; A68-E72 PolarHBondContact O-N 2.86Å; E72-F74 PolarHBondContact O-N 2.93Å
73E89.5Confident94Very high187 Ų18749.1 Ų49.187%0.87423%0.234SC*.SBendtrans54.70.3-179.8-58.3-168.6163.500117.4T71 S75T71-E73 VanDerWaalsContact C-N 3.3Å; T71-E73 PolarHBondContact O-N 3.29Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.34Å
74F89.3Confident93.9Very high33 Ų3349.6 Ų49.615%0.14524%0.238CC..  trans-80.359.2-176.4-171.5-100000114T31 V35 C69 E72 R76T31-F74 VanDerWaalsContact CA-CZ 3.47Å; T31-F74 WeakPolarHBondContact OG1-CD1 3.29Å; T31-F74 WeakPolarHBondContact OG1-CD2 3.31Å; T31-F74 WeakPolarHBondContact OG1-CE1 3.39Å; T31-F74 WeakPolarHBondContact OG1-CE2 3.22Å; T31-F74 WeakPolarHBondContact OG1-CG 3.48Å; T31-F74 WeakPolarHBondContact OG1-CZ 3.27Å; V35-F74 HydrophobicContact CG1-CB 4.41Å; V35-F74 HydrophobicContact CG2-CB 4.07Å; V35-F74 HydrophobicContact CG2-CG 4.46Å; C69-F74 HydrophobicContact CB-CD1 4.42Å; C69-F74 WeakPolarHBondContact CB-O 3.48Å; C69-F74 CarbonylContact O-C 3.43Å; C69-F74 WeakPolarHBondContact O-CA 3.48Å; C69-F74 PolarHBondContact O-N 3.47Å; C69-F74 VanDerWaalsContact O-O 3.06Å; E72-F74 PolarHBondContact O-N 2.93Å; F74-R76 HydrophobicContact CD1-CG 4.01Å; F74-R76 HydrophobicContact CE1-CG 3.61Å; F74-R76 HydrophobicContact CZ-CG 4.32Å; F74-R76 PolarHBondContact O-N 3.24Å
75S87.4Confident93.8Very high93 Ų9349.6 Ų49.665%0.6524%0.238SC*.  trans-59.3134.1-176.3-170.60000113.5C69 E73C69-S75 PolarHBondContact O-N 3.04Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.34Å
76R90.3Very high93.7Very high96 Ų9652 Ų5236%0.36225%0.247SC..  trans-144.7148.9176.2-70.5-63.5-177.2-88.17.1110.2F74 L81F74-R76 HydrophobicContact CD1-CG 4.01Å; F74-R76 HydrophobicContact CE1-CG 3.61Å; F74-R76 HydrophobicContact CZ-CG 4.32Å; F74-R76 PolarHBondContact O-N 3.24Å; R76-L81 HydrophobicContact CB-CD1 3.72Å
77K93.9Very high93.6Very high147 Ų14755 Ų5564%0.63927%0.266SS*.  trans-66.9133.2171.2-64.2-174.2178.1-176.50109.6S79 F80K77-S79 PolarHBondContact O-N 2.79Å; K77-S79 VanDerWaalsContact O-N 3.15Å; K77-F80 HydrophobicContact CB-CD2 3.8Å; K77-F80 HydrophobicContact CB-CE2 4.13Å; K77-F80 HydrophobicContact CD-CE2 4.16Å; K77-F80 HydrophobicContact CG-CD2 4.43Å; K77-F80 HydrophobicContact CG-CE2 4.31Å; K77-F80 PolarHBondContact O-N 2.75Å
78L95.9Very high93.5Very high11 Ų1156 Ų566%0.05827%0.271CS..Hα-helixtrans-56.4-30.3178175.857000113.2I62 Y66 F80 L81 I82 V105 V108I62-L78 HydrophobicContact CG2-CD1 3.64Å; Y66-L78 HydrophobicContact CD1-CD1 4.27Å; Y66-L78 HydrophobicContact CD2-CB 4.49Å; Y66-L78 HydrophobicContact CD2-CD1 4.45Å; Y66-L78 HydrophobicContact CE1-CB 4.37Å; Y66-L78 HydrophobicContact CE1-CD2 4.18Å; Y66-L78 HydrophobicContact CE2-CB 4.01Å; Y66-L78 HydrophobicContact CG-CD1 4.2Å; L78-F80 VanDerWaalsContact C-N 3.27Å; L78-F80 PolarHBondContact O-N 3.13Å; L78-L81 HydrophobicContact CD1-CB 4.36Å; L78-L81 PolarHBondContact O-N 3.22Å; L78-L81 VanDerWaalsContact O-N 3.11Å; L78-I82 HydrophobicContact CD1-CD1 4.19Å; L78-I82 HydrophobicContact CD1-CG1 4.13Å; L78-I82 HydrophobicContact CD2-CD1 4.45Å; L78-I82 HydrophobicContact CG-CD1 3.86Å; L78-I82 HydrophobicContact CG-CG1 4.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.23Å; L78-I82 PolarHBondContact O-N 3.35Å; L78-V105 HydrophobicContact CD2-CB 4.39Å; L78-V105 HydrophobicContact CD2-CG1 4.13Å; L78-V105 HydrophobicContact CD2-CG2 4.13Å; L78-V108 HydrophobicContact CD1-CB 4.44Å; L78-V108 HydrophobicContact CD1-CG1 3.72Å; L78-V108 HydrophobicContact CD2-CB 4.02Å; L78-V108 HydrophobicContact CD2-CG1 3.79Å; L78-V108 HydrophobicContact CG-CG1 4.43Å
79S95.6Very high93.3Very high13 Ų1356.1 Ų56.19%0.09127%0.271CS..Hα-helixtrans-61.4-31.5175.858.40000113.9K77 K83 E96K77-S79 PolarHBondContact O-N 2.79Å; K77-S79 VanDerWaalsContact O-N 3.15Å; S79-K83 WeakPolarHBondContact O-CB 3.31Å; S79-K83 WeakPolarHBondContact O-CG 3.37Å; S79-K83 PolarHBondContact O-N 3.47Å; S79-E96 VanDerWaalsContact CB-CD 3.42Å; S79-E96 WeakPolarHBondContact CB-OE2 3.26Å; S79-E96 PolarHBondContact OG-OE2 2.86Å
80F95.4Very high93.2Very high109 Ų10964.5 Ų64.548%0.47831%0.307SS..Hα-helixtrans-71.4-35.9173.3-65.9-56.9000112.6L29 K77 L78 A84L29-F80 HydrophobicContact CD2-CB 4.03Å; K77-F80 HydrophobicContact CB-CD2 3.8Å; K77-F80 HydrophobicContact CB-CE2 4.13Å; K77-F80 HydrophobicContact CD-CE2 4.16Å; K77-F80 HydrophobicContact CG-CD2 4.43Å; K77-F80 HydrophobicContact CG-CE2 4.31Å; K77-F80 PolarHBondContact O-N 2.75Å; L78-F80 VanDerWaalsContact C-N 3.27Å; L78-F80 PolarHBondContact O-N 3.13Å; F80-A84 VanDerWaalsContact O-CB 3.24Å; F80-A84 WeakPolarHBondContact O-CB 3.49Å; F80-A84 PolarHBondContact O-N 3.31Å
81L96.6Very high93.1Very high0 Ų064.3 Ų64.30%030%0.304CS..Hα-helixtrans-68.3-42.7175.9-80.565.1000110.8L29 I62 F65 Y66 R76 L78 A85L29-L81 HydrophobicContact CD1-CD1 3.62Å; L29-L81 HydrophobicContact CD1-CG 3.74Å; I62-L81 HydrophobicContact CG2-CB 4.36Å; F65-L81 HydrophobicContact CD1-CD2 3.74Å; F65-L81 HydrophobicContact CD1-CG 4.04Å; F65-L81 HydrophobicContact CE1-CD2 4.24Å; F65-L81 HydrophobicContact CE1-CG 4.24Å; Y66-L81 HydrophobicContact CD2-CD2 3.92Å; Y66-L81 HydrophobicContact CG-CD2 4.2Å; R76-L81 HydrophobicContact CB-CD1 3.72Å; L78-L81 HydrophobicContact CD1-CB 4.36Å; L78-L81 PolarHBondContact O-N 3.22Å; L78-L81 VanDerWaalsContact O-N 3.11Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 2.87Å
82I96.5Very high93.1Very high0 Ų067.3 Ų67.30%033%0.325CS..Hα-helixtrans-60.3-52.4174.2-70.4167.2000110.4I62 L78 A84 A85 Y86 F101 L104 V105I62-I82 HydrophobicContact CD1-CG1 4.34Å; I62-I82 HydrophobicContact CG2-CG1 4.24Å; L78-I82 HydrophobicContact CD1-CD1 4.19Å; L78-I82 HydrophobicContact CD1-CG1 4.13Å; L78-I82 HydrophobicContact CD2-CD1 4.45Å; L78-I82 HydrophobicContact CG-CD1 3.86Å; L78-I82 HydrophobicContact CG-CG1 4.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.23Å; L78-I82 PolarHBondContact O-N 3.35Å; I82-A84 PolarHBondContact O-N 3.13Å; I82-A85 PolarHBondContact O-N 3.29Å; I82-Y86 HydrophobicContact CG2-CD2 4.08Å; I82-Y86 HydrophobicContact CG2-CE2 4.15Å; I82-Y86 WeakPolarHBondContact O-CD2 3.27Å; I82-Y86 PolarHBondContact O-N 3.14Å; I82-F101 HydrophobicContact CB-CE2 4.19Å; I82-F101 HydrophobicContact CD1-CE2 3.75Å; I82-F101 HydrophobicContact CD1-CZ 3.87Å; I82-F101 HydrophobicContact CG2-CD2 4.32Å; I82-F101 HydrophobicContact CG2-CE2 3.81Å; I82-L104 HydrophobicContact CD1-CD2 4.03Å; I82-L104 HydrophobicContact CD1-CG 4.01Å; I82-L104 HydrophobicContact CG1-CD2 4.18Å; I82-L104 HydrophobicContact CG1-CG 4.43Å; I82-L104 HydrophobicContact CG2-CD2 3.58Å; I82-V105 HydrophobicContact CD1-CG2 3.85Å
83K95.6Very high93.1Very high81 Ų8165.3 Ų65.335%0.35232%0.321SS..Hα-helixtrans-57.5-51.3178.7-78.5173.2167.2173.20111.5S79 A85 Y86 D87 A93 E96S79-K83 WeakPolarHBondContact O-CB 3.31Å; S79-K83 WeakPolarHBondContact O-CG 3.37Å; S79-K83 PolarHBondContact O-N 3.47Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 3.37Å; K83-Y86 PolarHBondContact O-N 3.45Å; K83-Y86 VanDerWaalsContact O-N 3.13Å; K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 3.37Å; K83-A93 HydrophobicContact CG-CB 4.3Å; K83-E96 VanDerWaalsContact CE-OE1 3.31Å; K83-E96 WeakPolarHBondContact CE-OE1 3.33Å; K83-E96 IonicContact NZ-OE1 3.62Å; K83-E96 PolarHBondContact NZ-OE1 3.04Å
84A95.2Very high93.3Very high10 Ų1057.7 Ų57.78%0.08329%0.288CS..Hα-helixtrans-54.6-43.3177.400000112.7I25 L29 F80 I82 D87 I88I25-A84 HydrophobicContact CG2-CB 4.49Å; L29-A84 HydrophobicContact CG-CB 4.44Å; F80-A84 VanDerWaalsContact O-CB 3.24Å; F80-A84 WeakPolarHBondContact O-CB 3.49Å; F80-A84 PolarHBondContact O-N 3.31Å; I82-A84 PolarHBondContact O-N 3.13Å; A84-D87 PolarHBondContact O-N 3.15Å; A84-I88 VanDerWaalsContact O-CD1 3.22Å; A84-I88 WeakPolarHBondContact O-CD1 3.47Å; A84-I88 WeakPolarHBondContact O-CG1 3.44Å; A84-I88 PolarHBondContact O-N 3.44Å
85A95.2Very high93.5Very high0 Ų061.6 Ų61.60%031%0.31CS..Hα-helixtrans-63.2-45.6177.400000112.8I25 I58 I62 L81 I82 K83 I88 L89I25-A85 HydrophobicContact CD1-CB 3.69Å; I25-A85 HydrophobicContact CG1-CB 4.08Å; I58-A85 HydrophobicContact CG1-CB 4.47Å; I62-A85 HydrophobicContact CD1-CB 3.72Å; I62-A85 HydrophobicContact CG1-CB 3.76Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 2.87Å; I82-A85 PolarHBondContact O-N 3.29Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 3.37Å; A85-I88 WeakPolarHBondContact O-CB 3.44Å; A85-I88 PolarHBondContact O-N 3.01Å; A85-L89 WeakPolarHBondContact O-CG 3.3Å; A85-L89 PolarHBondContact O-N 2.95Å; A85-L89 VanDerWaalsContact O-N 3.15Å
86Y94.8Very high93.9Very high50 Ų5060.8 Ų60.820%0.19630%0.296CS..Hα-helixtrans-66.7-38.4177.8-86-107.8000111.9I58 I82 K83 I88 L89 K90 R91 P92 A93 L104I58-Y86 HydrophobicContact CD1-CD2 4.03Å; I58-Y86 HydrophobicContact CD1-CE2 3.72Å; I82-Y86 HydrophobicContact CG2-CD2 4.08Å; I82-Y86 HydrophobicContact CG2-CE2 4.15Å; I82-Y86 WeakPolarHBondContact O-CD2 3.27Å; I82-Y86 PolarHBondContact O-N 3.14Å; K83-Y86 PolarHBondContact O-N 3.45Å; K83-Y86 VanDerWaalsContact O-N 3.13Å; Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 3.01Å; Y86-L89 CarbonylContact O-C 3.5Å; Y86-L89 PolarHBondContact O-N 2.89Å; Y86-K90 PolarHBondContact O-N 3.11Å; Y86-R91 CarbonylContact C-O 2.94Å; Y86-R91 HydrophobicContact CD1-CB 4.08Å; Y86-R91 PolarHBondContact O-N 2.91Å; Y86-P92 WeakPolarHBondContact CD1-O 3.43Å; Y86-A93 HydrophobicContact CD1-CB 4.32Å; Y86-A93 HydrophobicContact CG-CB 4.11Å; Y86-L104 HydrophobicContact CE2-CD2 3.89Å
87D94.4Very high94.1Very high94 Ų9458.6 Ų58.650%0.50330%0.303SS..Hα-helixtrans-68.3-20.1174.5-61.8-28.8000113.4R28 K83 A84R28-D87 VanDerWaalsContact NH1-CB 3.31Å; R28-D87 PolarHBondContact NH1-O 3.13Å; R28-D87 PolarHBondContact NH2-O 3.01Å; K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 3.37Å; A84-D87 PolarHBondContact O-N 3.15Å
88I93.3Very high94.2Very high23 Ų2353.1 Ų53.112%0.11828%0.284CS..Hα-helixtrans-77.9-44.6171-71155.4000109.6L21 E24 I25 R28 A84 A85 Y86 K90L21-I88 HydrophobicContact CD1-CB 4.1Å; L21-I88 HydrophobicContact CD1-CD1 4.07Å; L21-I88 HydrophobicContact CD1-CG2 3.73Å; E24-I88 HydrophobicContact CB-CD1 3.53Å; E24-I88 HydrophobicContact CB-CG1 4.01Å; E24-I88 HydrophobicContact CB-CG2 4.16Å; E24-I88 HydrophobicContact CG-CG2 4.48Å; I25-I88 HydrophobicContact CB-CD1 4.25Å; I25-I88 HydrophobicContact CG1-CD1 3.52Å; R28-I88 VanDerWaalsContact NE-CG1 3.33Å; A84-I88 VanDerWaalsContact O-CD1 3.22Å; A84-I88 WeakPolarHBondContact O-CD1 3.47Å; A84-I88 WeakPolarHBondContact O-CG1 3.44Å; A84-I88 PolarHBondContact O-N 3.44Å; A85-I88 WeakPolarHBondContact O-CB 3.44Å; A85-I88 PolarHBondContact O-N 3.01Å; Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 3.01Å; I88-K90 PolarHBondContact O-N 3.5Å
89L90.6Very high94.3Very high2 Ų257.5 Ų57.51%0.0131%0.307CS..THydrogen-bonded Turntrans-81.15.2-179.6-58178.8000113.6L21 I58 A85 Y86 R91 N464 F467L21-L89 HydrophobicContact CD1-CD2 4.43Å; L21-L89 HydrophobicContact CD1-CG 4.48Å; L21-L89 HydrophobicContact CD2-CD1 4.49Å; I58-L89 HydrophobicContact CB-CD1 4.34Å; I58-L89 HydrophobicContact CD1-CD1 3.65Å; I58-L89 HydrophobicContact CG1-CD1 4.02Å; A85-L89 WeakPolarHBondContact O-CG 3.3Å; A85-L89 PolarHBondContact O-N 2.95Å; A85-L89 VanDerWaalsContact O-N 3.15Å; Y86-L89 CarbonylContact O-C 3.5Å; Y86-L89 PolarHBondContact O-N 2.89Å; L89-R91 WeakPolarHBondContact O-CG 3.39Å; L89-R91 PolarHBondContact O-N 2.88Å; L89-R91 VanDerWaalsContact O-N 3.12Å; L89-N464 PolarHBondContact O-OD1 3.03Å; L89-F467 HydrophobicContact CD1-CB 4.11Å; L89-F467 HydrophobicContact CD1-CD1 3.77Å; L89-F467 HydrophobicContact CD1-CD2 4.06Å; L89-F467 HydrophobicContact CD1-CE1 4.13Å; L89-F467 HydrophobicContact CD1-CE2 4.42Å; L89-F467 HydrophobicContact CD1-CG 3.71Å; L89-F467 HydrophobicContact CD1-CZ 4.45Å; L89-F467 HydrophobicContact CD2-CD1 4.45Å; L89-F467 HydrophobicContact CD2-CD2 3.49Å; L89-F467 VanDerWaalsContact CD2-CD2 3.49Å; L89-F467 HydrophobicContact CD2-CE1 4.34Å; L89-F467 HydrophobicContact CD2-CE2 3.37Å; L89-F467 HydrophobicContact CD2-CG 4.04Å; L89-F467 HydrophobicContact CD2-CZ 3.83Å; L89-F467 HydrophobicContact CG-CD2 4.38Å
90K92.9Very high94.3Very high176 Ų17659.6 Ų59.677%0.76533%0.325SS*.THydrogen-bonded Turntrans53.229.9-179.6-53.4176.5-174.9171.50113.6Y86 I88Y86-K90 PolarHBondContact O-N 3.11Å; I88-K90 PolarHBondContact O-N 3.5Å
91R91.1Very high94.3Very high90 Ų9055.2 Ų55.234%0.3431%0.306SS..  trans-107.7142.4-179.8-73.1170.5-174.9-155.54.1109.4Y86 L89 A93 N464 F467Y86-R91 CarbonylContact C-O 2.94Å; Y86-R91 HydrophobicContact CD1-CB 4.08Å; Y86-R91 PolarHBondContact O-N 2.91Å; L89-R91 WeakPolarHBondContact O-CG 3.39Å; L89-R91 PolarHBondContact O-N 2.88Å; L89-R91 VanDerWaalsContact O-N 3.12Å; R91-A93 PolarHBondContact O-N 3.38Å; R91-N464 PolarHBondContact NH2-O 3.33Å; R91-F467 PolarHBondContact NH1-O 3.32Å; R91-F467 PolarHBondContact NH2-O 3.08Å
92P91.5Very high94.3Very high122 Ų12259.8 Ų59.879%0.79233%0.326SS*.PPolyproline II helixtrans-62.9123.5175.626.6-33.5000109.9Y86Y86-P92 WeakPolarHBondContact CD1-O 3.43Å
93A90.9Very high94.3Very high34 Ų3467.7 Ų67.728%0.28136%0.356SS..PPolyproline II helixtrans-65139.3170.600000109.9K83 Y86 R91K83-A93 HydrophobicContact CG-CB 4.3Å; Y86-A93 HydrophobicContact CD1-CB 4.32Å; Y86-A93 HydrophobicContact CG-CB 4.11Å; R91-A93 PolarHBondContact O-N 3.38Å
94P93Very high94.3Very high28 Ų2864.5 Ų64.518%0.18234%0.343CS..PPolyproline II helixtrans-64.5140.9171.527.1-32.1000109.8A100 F101 L104P94-A100 HydrophobicContact CB-CB 4.07Å; P94-F101 HydrophobicContact CB-CB 4.27Å; P94-F101 HydrophobicContact CG-CB 4.25Å; P94-F101 HydrophobicContact CG-CD2 4.27Å; P94-F101 WeakPolarHBondContact O-CD2 3.28Å; P94-L104 HydrophobicContact CG-CD2 4.27Å
95D94.4Very high94.4Very high115 Ų11565.5 Ų65.562%0.61535%0.348SS*.PPolyproline II helixtrans-58.6142.7-179.8172.863.8000112.2G97 S98 F101D95-G97 PolarHBondContact O-N 3.4Å; D95-G97 WeakPolarHBondContact OD2-CA 3.38Å; D95-G97 PolarHBondContact OD2-N 3.26Å; D95-S98 VanDerWaalsContact O-CB 3.26Å; D95-S98 WeakPolarHBondContact O-CB 3.33Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact O-OG 3Å; D95-F101 WeakPolarHBondContact O-CB 3.36Å
96E94.8Very high94.5Very high76 Ų7671.5 Ų71.536%0.35538%0.375SS..THydrogen-bonded Turntrans-64.6-24.2-174.2-69.3-169-134.500113.3S79 K83 F101S79-E96 VanDerWaalsContact CB-CD 3.42Å; S79-E96 WeakPolarHBondContact CB-OE2 3.26Å; S79-E96 PolarHBondContact OG-OE2 2.86Å; K83-E96 VanDerWaalsContact CE-OE1 3.31Å; K83-E96 WeakPolarHBondContact CE-OE1 3.33Å; K83-E96 IonicContact NZ-OE1 3.62Å; K83-E96 PolarHBondContact NZ-OE1 3.04Å; E96-F101 HydrophobicContact CB-CD1 4.28Å; E96-F101 HydrophobicContact CB-CE1 4.26Å; E96-F101 HydrophobicContact CG-CD1 4.42Å; E96-F101 HydrophobicContact CG-CD2 4.34Å; E96-F101 HydrophobicContact CG-CE1 4.08Å; E96-F101 HydrophobicContact CG-CE2 4.01Å; E96-F101 HydrophobicContact CG-CZ 3.9Å; E96-F101 WeakPolarHBondContact O-CD1 3.22Å
97G94.4Very high94.5Very high49 Ų4973.1 Ų73.151%0.50539%0.388SS..THydrogen-bonded Turntrans-81.1-14.8173.200000114.4D95 K102D95-G97 PolarHBondContact O-N 3.4Å; D95-G97 WeakPolarHBondContact OD2-CA 3.38Å; D95-G97 PolarHBondContact OD2-N 3.26Å; G97-K102 WeakPolarHBondContact O-CE 3.27Å; G97-K102 PolarHBondContact O-NZ 3.42Å
98S96.6Very high94.6Very high33 Ų3368.7 Ų68.723%0.23136%0.364CS..SBendtrans-74.8149.7-174.775.50000113.7D95 A100 F101 K102D95-S98 VanDerWaalsContact O-CB 3.26Å; D95-S98 WeakPolarHBondContact O-CB 3.33Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact O-OG 3Å; S98-A100 PolarHBondContact O-N 3.48Å; S98-F101 PolarHBondContact O-N 2.93Å; S98-F101 WeakPolarHBondContact OG-CB 3.46Å; S98-F101 PolarHBondContact OG-N 3.27Å; S98-F101 VanDerWaalsContact OG-N 3.16Å; S98-K102 WeakPolarHBondContact O-CG 3.4Å; S98-K102 PolarHBondContact O-N 3.01Å
99D96.7Very high94.8Very high102 Ų10271.4 Ų71.455%0.54538%0.376SS..Hα-helixtrans-67.8-23.3174.7-66.7-19.6000112.8K102 R103D99-K102 PolarHBondContact O-N 3.43Å; D99-K102 WeakPolarHBondContact OD1-CD 3.27Å; D99-K102 WeakPolarHBondContact OD1-CE 3.47Å; D99-K102 IonicContact OD1-NZ 3.16Å; D99-K102 PolarHBondContact OD1-NZ 2.84Å; D99-R103 WeakPolarHBondContact O-CB 3.29Å; D99-R103 WeakPolarHBondContact O-CG 3.3Å; D99-R103 PolarHBondContact O-N 3.02Å
100A95.5Very high95.1Very high58 Ų5874 Ų7448%0.47940%0.397SS..Hα-helixtrans-63.4-44.7170.900000111.3P94 S98 L104P94-A100 HydrophobicContact CB-CB 4.07Å; S98-A100 PolarHBondContact O-N 3.48Å; A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 PolarHBondContact O-N 2.88Å
101F97Very high95.2Very high16 Ų1666.5 Ų66.57%0.0737%0.366CS..Hα-helixtrans-68-41.2175.5-175.7-88.3000112.1I82 P94 D95 E96 S98 R103 L104 V105I82-F101 HydrophobicContact CB-CE2 4.19Å; I82-F101 HydrophobicContact CD1-CE2 3.75Å; I82-F101 HydrophobicContact CD1-CZ 3.87Å; I82-F101 HydrophobicContact CG2-CD2 4.32Å; I82-F101 HydrophobicContact CG2-CE2 3.81Å; P94-F101 HydrophobicContact CB-CB 4.27Å; P94-F101 HydrophobicContact CG-CB 4.25Å; P94-F101 HydrophobicContact CG-CD2 4.27Å; P94-F101 WeakPolarHBondContact O-CD2 3.28Å; D95-F101 WeakPolarHBondContact O-CB 3.36Å; E96-F101 HydrophobicContact CB-CD1 4.28Å; E96-F101 HydrophobicContact CB-CE1 4.26Å; E96-F101 HydrophobicContact CG-CD1 4.42Å; E96-F101 HydrophobicContact CG-CD2 4.34Å; E96-F101 HydrophobicContact CG-CE1 4.08Å; E96-F101 HydrophobicContact CG-CE2 4.01Å; E96-F101 HydrophobicContact CG-CZ 3.9Å; E96-F101 WeakPolarHBondContact O-CD1 3.22Å; S98-F101 PolarHBondContact O-N 2.93Å; S98-F101 WeakPolarHBondContact OG-CB 3.46Å; S98-F101 PolarHBondContact OG-N 3.27Å; S98-F101 VanDerWaalsContact OG-N 3.16Å; F101-R103 PolarHBondContact O-N 2.97Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 3.2Å; F101-V105 HydrophobicContact CD1-CG2 3.99Å; F101-V105 HydrophobicContact CE1-CG2 3.47Å; F101-V105 VanDerWaalsContact CE1-CG2 3.47Å; F101-V105 HydrophobicContact CZ-CG2 3.8Å; F101-V105 PolarHBondContact O-N 2.89Å
102K96.8Very high95.4Very high96 Ų9663.2 Ų63.242%0.41735%0.354SS..Hα-helixtrans-58.7-45175.1-64.9167.6-151.3156.80111.9G97 S98 D99 V105 Q106G97-K102 WeakPolarHBondContact O-CE 3.27Å; G97-K102 PolarHBondContact O-NZ 3.42Å; S98-K102 WeakPolarHBondContact O-CG 3.4Å; S98-K102 PolarHBondContact O-N 3.01Å; D99-K102 PolarHBondContact O-N 3.43Å; D99-K102 WeakPolarHBondContact OD1-CD 3.27Å; D99-K102 WeakPolarHBondContact OD1-CE 3.47Å; D99-K102 IonicContact OD1-NZ 3.16Å; D99-K102 PolarHBondContact OD1-NZ 2.84Å; K102-V105 PolarHBondContact O-N 3.36Å; K102-Q106 WeakPolarHBondContact O-CG 3.49Å; K102-Q106 PolarHBondContact O-N 3.37Å
103R96.1Very high95.6Very high166 Ų16659.7 Ų59.763%0.62634%0.336SS*.Hα-helixtrans-63.8-39.8174.8-72.2169.9-173.9-84.72.7112.2D99 F101 Q106 N107D99-R103 WeakPolarHBondContact O-CB 3.29Å; D99-R103 WeakPolarHBondContact O-CG 3.3Å; D99-R103 PolarHBondContact O-N 3.02Å; F101-R103 PolarHBondContact O-N 2.97Å; R103-Q106 PolarHBondContact O-N 2.93Å; R103-N107 WeakPolarHBondContact O-CB 3.44Å; R103-N107 PolarHBondContact O-N 3.44Å; R103-N107 PolarHBondContact O-OD1 3.37Å
104L95.4Very high95.8Very high15 Ų1559.9 Ų59.98%0.07933%0.333CS..Hα-helixtrans-61.7-44.4174.8177.858.7000111.8L59 I82 Y86 P94 A100 F101 N107 V108L59-L104 HydrophobicContact CD2-CD1 3.37Å; I82-L104 HydrophobicContact CD1-CD2 4.03Å; I82-L104 HydrophobicContact CD1-CG 4.01Å; I82-L104 HydrophobicContact CG1-CD2 4.18Å; I82-L104 HydrophobicContact CG1-CG 4.43Å; I82-L104 HydrophobicContact CG2-CD2 3.58Å; Y86-L104 HydrophobicContact CE2-CD2 3.89Å; P94-L104 HydrophobicContact CG-CD2 4.27Å; A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 PolarHBondContact O-N 2.88Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 3.2Å; L104-N107 PolarHBondContact O-N 3.32Å; L104-V108 HydrophobicContact CD1-CG2 4.48Å; L104-V108 WeakPolarHBondContact O-CG2 3.22Å; L104-V108 PolarHBondContact O-N 3.16Å
105V97Very high95.8Very high31 Ų3158.5 Ų58.519%0.18832%0.324CS..Hα-helixtrans-62.3-43.1174.61660000111.9L78 I82 F101 K102 V108 H109L78-V105 HydrophobicContact CD2-CB 4.39Å; L78-V105 HydrophobicContact CD2-CG1 4.13Å; L78-V105 HydrophobicContact CD2-CG2 4.13Å; I82-V105 HydrophobicContact CD1-CG2 3.85Å; F101-V105 HydrophobicContact CD1-CG2 3.99Å; F101-V105 HydrophobicContact CE1-CG2 3.47Å; F101-V105 VanDerWaalsContact CE1-CG2 3.47Å; F101-V105 HydrophobicContact CZ-CG2 3.8Å; F101-V105 PolarHBondContact O-N 2.89Å; K102-V105 PolarHBondContact O-N 3.36Å; V105-V108 PolarHBondContact O-N 2.7Å; V105-H109 PolarHBondContact O-N 3.28Å; V105-H109 PolarHBondContact O-ND1 3.23Å
106Q96.8Very high95.8Very high125 Ų12556.2 Ų56.258%0.58431%0.312SS*.Hα-helixtrans-60.4-46.1175-74169.3-23.600111.8K102 R103 V108 H109 A110K102-Q106 WeakPolarHBondContact O-CG 3.49Å; K102-Q106 PolarHBondContact O-N 3.37Å; R103-Q106 PolarHBondContact O-N 2.93Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.5Å; Q106-H109 PolarHBondContact O-N 3Å; Q106-A110 PolarHBondContact O-N 2.87Å
107N95.8Very high95.7Very high85 Ų8559.5 Ų59.546%0.45533%0.329SS..Hα-helixtrans-62.4-39.5177.8-70.4-7.4000112.2R103 L104 A110 L111R103-N107 WeakPolarHBondContact O-CB 3.44Å; R103-N107 PolarHBondContact O-N 3.44Å; R103-N107 PolarHBondContact O-OD1 3.37Å; L104-N107 PolarHBondContact O-N 3.32Å; N107-A110 PolarHBondContact O-N 3.48Å; N107-L111 WeakPolarHBondContact O-CB 3.32Å; N107-L111 WeakPolarHBondContact O-CG 3.41Å; N107-L111 PolarHBondContact O-N 2.96Å
108V96.9Very high95.6Very high0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-67.7-40.6175.9171.30000111.7I62 A63 Y66 L78 L104 V105 Q106 A110 L111 E112I62-V108 HydrophobicContact CB-CG2 4.46Å; I62-V108 HydrophobicContact CG2-CG1 4.15Å; I62-V108 HydrophobicContact CG2-CG2 3.89Å; A63-V108 HydrophobicContact CB-CG1 4.09Å; Y66-V108 HydrophobicContact CD1-CG1 4.2Å; L78-V108 HydrophobicContact CD1-CB 4.44Å; L78-V108 HydrophobicContact CD1-CG1 3.72Å; L78-V108 HydrophobicContact CD2-CB 4.02Å; L78-V108 HydrophobicContact CD2-CG1 3.79Å; L78-V108 HydrophobicContact CG-CG1 4.43Å; L104-V108 HydrophobicContact CD1-CG2 4.48Å; L104-V108 WeakPolarHBondContact O-CG2 3.22Å; L104-V108 PolarHBondContact O-N 3.16Å; V105-V108 PolarHBondContact O-N 2.7Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.5Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.24Å; V108-L111 PolarHBondContact O-N 3.1Å; V108-E112 WeakPolarHBondContact O-CB 3.44Å; V108-E112 PolarHBondContact O-N 3.29Å
109H96.8Very high95.3Very high80 Ų8057.7 Ų57.737%0.3731%0.306SS..Hα-helixtrans-65.7-35.8175.2-70.5146.6000112.8Y66 V105 Q106 E112 A113Y66-H109 AromaticContact CE1-CD2 3.82Å; Y66-H109 AromaticContact CE1-NE2 3.8Å; V105-H109 PolarHBondContact O-N 3.28Å; V105-H109 PolarHBondContact O-ND1 3.23Å; Q106-H109 PolarHBondContact O-N 3Å; H109-E112 IonicContact CD2-OE2 2.68Å; H109-A113 PolarHBondContact O-N 3.1Å; H109-A113 VanDerWaalsContact O-N 3.17Å
110A96Very high94.7Very high56 Ų5653.8 Ų53.846%0.46329%0.29SS..Hα-helixtrans-64-47.2172.500000111.5Q106 N107 V108 E112 A113 T114Q106-A110 PolarHBondContact O-N 2.87Å; N107-A110 PolarHBondContact O-N 3.48Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.24Å; A110-E112 PolarHBondContact O-N 2.85Å; A110-A113 PolarHBondContact O-N 2.8Å; A110-T114 PolarHBondContact O-N 3.45Å; A110-T114 PolarHBondContact O-OG1 3.21Å; A110-T114 VanDerWaalsContact O-OG1 3.07Å
111L95.9Very high93.8Very high19 Ų1959.6 Ų59.610%0.09931%0.305CS..Hα-helixtrans-65.1-35.8176.8-73.6170.9000113F46 I55 L59 A63 N107 V108 T114 I115F46-L111 HydrophobicContact CE2-CD2 4.39Å; F46-L111 HydrophobicContact CZ-CD2 3.8Å; I55-L111 HydrophobicContact CD1-CD2 4.13Å; I55-L111 HydrophobicContact CG2-CD1 4.09Å; I55-L111 HydrophobicContact CG2-CD2 3.81Å; L59-L111 HydrophobicContact CB-CD1 3.61Å; L59-L111 HydrophobicContact CD1-CD1 4.45Å; A63-L111 HydrophobicContact CB-CB 3.75Å; N107-L111 WeakPolarHBondContact O-CB 3.32Å; N107-L111 WeakPolarHBondContact O-CG 3.41Å; N107-L111 PolarHBondContact O-N 2.96Å; V108-L111 PolarHBondContact O-N 3.1Å; L111-T114 PolarHBondContact O-N 2.71Å; L111-I115 WeakPolarHBondContact O-CB 3.3Å; L111-I115 WeakPolarHBondContact O-CD1 3.36Å; L111-I115 WeakPolarHBondContact O-CG1 3.44Å; L111-I115 PolarHBondContact O-N 2.87Å
112E95.1Very high92.5Very high21 Ų2165.6 Ų65.610%0.09833%0.333CS..Hα-helixtrans-57.1-48.7171.3156163-125.200111.1Y66 K70 V108 H109 A110 T114 I115 L116Y66-E112 WeakPolarHBondContact CE1-OE2 3.42Å; K70-E112 VanDerWaalsContact CD-OE1 3.28Å; K70-E112 WeakPolarHBondContact CD-OE1 3.36Å; K70-E112 WeakPolarHBondContact CE-OE1 3.43Å; K70-E112 IonicContact NZ-OE1 2.7Å; K70-E112 PolarHBondContact NZ-OE1 3.49Å; K70-E112 IonicContact NZ-OE2 3.1Å; K70-E112 PolarHBondContact NZ-OE2 3.17Å; V108-E112 WeakPolarHBondContact O-CB 3.44Å; V108-E112 PolarHBondContact O-N 3.29Å; H109-E112 IonicContact CD2-OE2 2.68Å; A110-E112 PolarHBondContact O-N 2.85Å; E112-T114 VanDerWaalsContact C-N 3.32Å; E112-T114 PolarHBondContact O-N 3.3Å; E112-I115 PolarHBondContact O-N 3.1Å; E112-L116 HydrophobicContact CG-CD1 3.93Å; E112-L116 WeakPolarHBondContact O-CB 3.19Å; E112-L116 VanDerWaalsContact O-CG 3.29Å; E112-L116 WeakPolarHBondContact O-CG 3.5Å; E112-L116 PolarHBondContact O-N 3.3Å
113A95.1Very high91.6Very high49 Ų4962.1 Ų62.141%0.40532%0.32SS..Hα-helixtrans-61.4-40.7176.400000111.6H109 A110 M117H109-A113 PolarHBondContact O-N 3.1Å; H109-A113 VanDerWaalsContact O-N 3.17Å; A110-A113 PolarHBondContact O-N 2.8Å; A113-M117 WeakPolarHBondContact O-CG 3.38Å; A113-M117 PolarHBondContact O-N 3.29Å; A113-M117 VanDerWaalsContact O-N 3.08Å
114T95Very high90.6Very high37 Ų3756.7 Ų56.723%0.22730%0.303CS..Hα-helixtrans-64.6-43.8175.3-46.70000112.6F46 F50 A110 L111 E112 M117 V118F46-T114 HydrophobicContact CE2-CG2 3.85Å; F50-T114 HydrophobicContact CE2-CG2 3.48Å; F50-T114 VanDerWaalsContact CE2-CG2 3.48Å; F50-T114 HydrophobicContact CZ-CG2 3.62Å; A110-T114 PolarHBondContact O-N 3.45Å; A110-T114 PolarHBondContact O-OG1 3.21Å; A110-T114 VanDerWaalsContact O-OG1 3.07Å; L111-T114 PolarHBondContact O-N 2.71Å; E112-T114 VanDerWaalsContact C-N 3.32Å; E112-T114 PolarHBondContact O-N 3.3Å; T114-M117 PolarHBondContact O-N 3.4Å; T114-V118 HydrophobicContact CG2-CG2 4.49Å; T114-V118 WeakPolarHBondContact O-CG2 3.25Å; T114-V118 PolarHBondContact O-N 3.47Å
115I94.5Very high89.6Confident0 Ų063 Ų630%033%0.332CS..Hα-helixtrans-61.5-46.8178.2-72.4162.7000110.3F46 A63 A64 L111 E112 M117 V118 I119F46-I115 HydrophobicContact CB-CG1 4.24Å; F46-I115 HydrophobicContact CD2-CB 4.34Å; F46-I115 HydrophobicContact CD2-CD1 4.39Å; F46-I115 HydrophobicContact CD2-CG1 3.34Å; F46-I115 HydrophobicContact CE2-CG1 3.81Å; F46-I115 HydrophobicContact CG-CG1 3.9Å; A63-I115 HydrophobicContact CB-CD1 3.62Å; A64-I115 HydrophobicContact CB-CD1 4.06Å; L111-I115 WeakPolarHBondContact O-CB 3.3Å; L111-I115 WeakPolarHBondContact O-CD1 3.36Å; L111-I115 WeakPolarHBondContact O-CG1 3.44Å; L111-I115 PolarHBondContact O-N 2.87Å; E112-I115 PolarHBondContact O-N 3.1Å; I115-M117 VanDerWaalsContact C-N 3.29Å; I115-M117 PolarHBondContact O-N 3.21Å; I115-V118 PolarHBondContact O-N 3.07Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-I119 HydrophobicContact CG2-CD1 4.34Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 3.42Å
116L93.5Very high88.7Confident66 Ų6664 Ų6435%0.34634%0.338SS..Hα-helixtrans-61.2-35.9177.2-70.1170.1000112.4E112 I119 G120 L124E112-L116 HydrophobicContact CG-CD1 3.93Å; E112-L116 WeakPolarHBondContact O-CB 3.19Å; E112-L116 VanDerWaalsContact O-CG 3.29Å; E112-L116 WeakPolarHBondContact O-CG 3.5Å; E112-L116 PolarHBondContact O-N 3.3Å; L116-I119 HydrophobicContact CD2-CD1 4.39Å; L116-G120 WeakPolarHBondContact O-CA 3.39Å; L116-G120 PolarHBondContact O-N 3.37Å; L116-L124 HydrophobicContact CD2-CD1 4.49Å
117M93.5Very high88.2Confident145 Ų14564.8 Ų64.871%0.71434%0.34SS*.Hα-helixtrans-70.8-37.8173-72-173.2-61.900113.2A113 T114 I115A113-M117 WeakPolarHBondContact O-CG 3.38Å; A113-M117 PolarHBondContact O-N 3.29Å; A113-M117 VanDerWaalsContact O-N 3.08Å; T114-M117 PolarHBondContact O-N 3.4Å; I115-M117 VanDerWaalsContact C-N 3.29Å; I115-M117 PolarHBondContact O-N 3.21Å
118V92Very high88Confident37 Ų3761.6 Ų61.622%0.22432%0.322CS..Hα-helixtrans-70.7-43.9-179.6168.60000112.2Y45 V49 F50 T114 I115Y45-V118 WeakPolarHBondContact O-CG1 3.42Å; V49-V118 HydrophobicContact CB-CG1 4.29Å; V49-V118 HydrophobicContact CB-CG2 4.2Å; V49-V118 HydrophobicContact CG1-CG2 4.34Å; V49-V118 HydrophobicContact CG2-CG1 3.65Å; V49-V118 HydrophobicContact CG2-CG2 4.15Å; F50-V118 HydrophobicContact CD2-CG2 4.45Å; F50-V118 HydrophobicContact CE2-CG2 3.81Å; T114-V118 HydrophobicContact CG2-CG2 4.49Å; T114-V118 WeakPolarHBondContact O-CG2 3.25Å; T114-V118 PolarHBondContact O-N 3.47Å; I115-V118 PolarHBondContact O-N 3.07Å; I115-V118 VanDerWaalsContact O-N 3.16Å
119I90.1Very high88Confident7 Ų762 Ų624%0.03633%0.325CS..Hα-helixtrans-74.6-39.3176.269.1-167.5000110.6Y42 Y45 I115 L116 T123 L124Y42-I119 HydrophobicContact CD1-CD1 3.83Å; Y42-I119 HydrophobicContact CD1-CG2 4.32Å; Y42-I119 HydrophobicContact CD2-CD1 4.26Å; Y42-I119 HydrophobicContact CE1-CD1 4.06Å; Y42-I119 HydrophobicContact CE2-CD1 4.44Å; Y42-I119 HydrophobicContact CG-CD1 3.98Å; Y45-I119 HydrophobicContact CG-CG2 4.4Å; I115-I119 HydrophobicContact CG2-CD1 4.34Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 3.42Å; L116-I119 HydrophobicContact CD2-CD1 4.39Å; I119-T123 HydrophobicContact CB-CG2 4.33Å; I119-T123 WeakPolarHBondContact O-CB 3.33Å; I119-T123 PolarHBondContact O-OG1 2.82Å; I119-L124 HydrophobicContact CD1-CD1 4.36Å; I119-L124 HydrophobicContact CD1-CD2 3.55Å; I119-L124 HydrophobicContact CD1-CG 3.89Å; I119-L124 HydrophobicContact CG1-CD2 4.31Å; I119-L124 HydrophobicContact CG1-CG 4.11Å
120G84.3Confident88Confident21 Ų2158.5 Ų58.522%0.21631%0.308CS..Hα-helixtrans63.1174.3-174.900000113.5L116 H122 L124L116-G120 WeakPolarHBondContact O-CA 3.39Å; L116-G120 PolarHBondContact O-N 3.37Å; G120-H122 VanDerWaalsContact C-N 3.33Å; G120-H122 PolarHBondContact O-N 2.73Å; G120-L124 WeakPolarHBondContact O-CG 3.22Å; G120-L124 PolarHBondContact O-N 2.69Å
121F75.6Confident88Confident179 Ų17959 Ų5979%0.78531%0.306SS*.Hα-helixtrans-66.6-32.7-176.5-64.4-75.3000113.3L124 E125F121-L124 WeakPolarHBondContact O-CB 3.19Å; F121-L124 PolarHBondContact O-N 3.36Å; F121-E125 PolarHBondContact O-N 3.39Å
122H69.8Low88Confident143 Ų14359.3 Ų59.366%0.66231%0.307SS*.Hα-helixtrans-68.8-44-177.8-170.947.6000112.8G120 L124 E125 V126G120-H122 VanDerWaalsContact C-N 3.33Å; G120-H122 PolarHBondContact O-N 2.73Å; H122-L124 PolarHBondContact O-N 3.13Å; H122-E125 PolarHBondContact O-N 2.98Å; H122-V126 PolarHBondContact O-N 3.34Å
123T77.7Confident88.1Confident23 Ų2358.3 Ų58.314%0.14130%0.303CS..Hα-helixtrans-68.2-24.3177.3-55.40000112.3Y41 Y45 I119 E125 V126Y41-T123 HydrophobicContact CE1-CG2 3.77Å; Y45-T123 HydrophobicContact CD1-CG2 4.06Å; Y45-T123 HydrophobicContact CD2-CG2 4.2Å; Y45-T123 HydrophobicContact CE1-CG2 3.77Å; Y45-T123 HydrophobicContact CE2-CG2 3.92Å; Y45-T123 HydrophobicContact CG-CG2 4.28Å; I119-T123 HydrophobicContact CB-CG2 4.33Å; I119-T123 WeakPolarHBondContact O-CB 3.33Å; I119-T123 PolarHBondContact O-OG1 2.82Å; T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 PolarHBondContact O-N 3.36Å; T123-V126 PolarHBondContact O-N 2.62Å
124L75.8Confident88.2Confident52 Ų5258.1 Ų58.127%0.27229%0.294SS..Hα-helixtrans-67.7-26.4170.6-73172.6000113.2Y42 T71 L116 I119 G120 F121 H122Y42-L124 HydrophobicContact CE1-CD2 3.72Å; Y42-L124 HydrophobicContact CE2-CD2 4.29Å; Y42-L124 VanDerWaalsContact CZ-CD2 3.49Å; Y42-L124 VanDerWaalsContact OH-CD2 3.23Å; Y42-L124 WeakPolarHBondContact OH-CD2 3.44Å; T71-L124 HydrophobicContact CG2-CD2 3.95Å; L116-L124 HydrophobicContact CD2-CD1 4.49Å; I119-L124 HydrophobicContact CD1-CD1 4.36Å; I119-L124 HydrophobicContact CD1-CD2 3.55Å; I119-L124 HydrophobicContact CD1-CG 3.89Å; I119-L124 HydrophobicContact CG1-CD2 4.31Å; I119-L124 HydrophobicContact CG1-CG 4.11Å; G120-L124 WeakPolarHBondContact O-CG 3.22Å; G120-L124 PolarHBondContact O-N 2.69Å; F121-L124 WeakPolarHBondContact O-CB 3.19Å; F121-L124 PolarHBondContact O-N 3.36Å; H122-L124 PolarHBondContact O-N 3.13Å
125E75.1Confident88.2Confident147 Ų14763.8 Ų63.869%0.68732%0.316SS*.Hα-helixtrans-86.1-14.8177.1-65.4176.8153.300113.3F121 H122 T123 K127F121-E125 PolarHBondContact O-N 3.39Å; H122-E125 PolarHBondContact O-N 2.98Å; T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 PolarHBondContact O-N 3.36Å; E125-K127 PolarHBondContact O-N 3.49Å
126V76.8Confident88.3Confident53 Ų5364.1 Ų64.132%0.32132%0.318SS..SBendtrans-68.4120.8-179.8175.20000110.4H122 T123 Q128H122-V126 PolarHBondContact O-N 3.34Å; T123-V126 PolarHBondContact O-N 2.62Å; V126-Q128 PolarHBondContact O-N 3.34Å
127K86.8Confident88.3Confident141 Ų14162 Ų6261%0.61331%0.307SS*.PPolyproline II helixtrans-70.3122.7-179.9-71.3169.7-175.2161.30110.4E125 L132 A169E125-K127 PolarHBondContact O-N 3.49Å; K127-L132 HydrophobicContact CB-CD2 4.2Å; K127-L132 HydrophobicContact CB-CG 4.46Å; K127-A169 WeakPolarHBondContact O-CB 3.48Å
128Q92Very high88.4Confident17 Ų1762.4 Ų62.48%0.07930%0.301CS..PPolyproline II helixtrans-53.2144.5177.4-57.3178.316.300111.6V34 V126 H130 V131V34-Q128 PolarHBondContact O-NE2 2.72Å; V34-Q128 VanDerWaalsContact O-NE2 3.15Å; V126-Q128 PolarHBondContact O-N 3.34Å; Q128-H130 PolarHBondContact O-N 2.98Å; Q128-H130 VanDerWaalsContact O-N 3.08Å; Q128-V131 HydrophobicContact CB-CG2 4.33Å; Q128-V131 WeakPolarHBondContact O-CB 3.41Å; Q128-V131 PolarHBondContact O-N 2.88Å
129P96.5Very high88.5Confident9 Ų964.1 Ų64.16%0.05832%0.319CS..Hα-helixtrans-51.8-37.7179.4-2429.6000113.4V131 L132 L133 A169 I172 A173P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 PolarHBondContact O-N 3.27Å; P129-L132 PolarHBondContact O-N 3.25Å; P129-L133 WeakPolarHBondContact O-CB 3.32Å; P129-L133 PolarHBondContact O-N 3.37Å; P129-A169 HydrophobicContact CB-CB 4.46Å; P129-A169 HydrophobicContact CG-CB 3.98Å; P129-I172 HydrophobicContact CB-CB 4.1Å; P129-I172 HydrophobicContact CB-CG2 3.79Å; P129-I172 HydrophobicContact CG-CB 4.09Å; P129-I172 HydrophobicContact CG-CG2 3.87Å; P129-A173 HydrophobicContact CB-CB 4.47Å
130H96.8Very high88.7Confident6 Ų667.7 Ų67.73%0.02834%0.338CS..Hα-helixtrans-58.4-34.6177.3-61.180.1000114.1N37 Q128 I134 Y151 C154 T155N37-H130 PolarHBondContact ND2-CD2 3.47Å; N37-H130 PolarHBondContact ND2-CE1 2.87Å; N37-H130 VanDerWaalsContact ND2-CE1 3.27Å; N37-H130 VanDerWaalsContact ND2-CG 3.31Å; N37-H130 PolarHBondContact ND2-ND1 3.02Å; N37-H130 PolarHBondContact ND2-NE2 2.99Å; Q128-H130 PolarHBondContact O-N 2.98Å; Q128-H130 VanDerWaalsContact O-N 3.08Å; H130-I134 WeakPolarHBondContact O-CB 3.5Å; H130-I134 VanDerWaalsContact O-CG1 3.3Å; H130-I134 WeakPolarHBondContact O-CG1 3.27Å; H130-I134 PolarHBondContact O-N 3.27Å; H130-Y151 HydrophobicContact CB-CD2 4.48Å; H130-Y151 HydrophobicContact CB-CE2 3.93Å; H130-Y151 AromaticContact CD2-CD2 3.91Å; H130-Y151 AromaticContact CD2-CE2 3.54Å; H130-Y151 AromaticContact CD2-CZ 3.73Å; H130-C154 VanDerWaalsContact CE1-SG 3.57Å; H130-T155 WeakPolarHBondContact NE2-CA 3.38Å; H130-T155 PolarHBondContact NE2-N 2.89Å; H130-T155 VanDerWaalsContact NE2-N 3.16Å; H130-T155 PolarHBondContact NE2-OG1 2.91Å
131V95.2Very high89.1Confident67 Ų6775.6 Ų75.641%0.40637%0.367SS..Hα-helixtrans-72.1-42.9179.8178.80000110.2Q128 P129 I134 K135Q128-V131 HydrophobicContact CB-CG2 4.33Å; Q128-V131 WeakPolarHBondContact O-CB 3.41Å; Q128-V131 PolarHBondContact O-N 2.88Å; P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 PolarHBondContact O-N 3.27Å; V131-I134 PolarHBondContact O-N 3.45Å; V131-K135 PolarHBondContact O-N 3.26Å
132L96.7Very high89.8Confident25 Ų2569 Ų6913%0.13134%0.338CS..Hα-helixtrans-64.8-43175.7-56.7176.6000110.9K127 P129 K135 A136 A169 E170 A173K127-L132 HydrophobicContact CB-CD2 4.2Å; K127-L132 HydrophobicContact CB-CG 4.46Å; P129-L132 PolarHBondContact O-N 3.25Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 2.93Å; L132-A136 PolarHBondContact O-N 3.08Å; L132-A169 HydrophobicContact CD1-CB 3.59Å; L132-E170 HydrophobicContact CD1-CG 3.93Å; L132-E170 WeakPolarHBondContact CD1-OE1 3.44Å; L132-A173 HydrophobicContact CB-CB 4.17Å
133L97.5Very high90.9Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-60.2-48.1175.2-177.755.5000112.4P129 K135 A136 I137 C154 A173 L177 F199P129-L133 WeakPolarHBondContact O-CB 3.32Å; P129-L133 PolarHBondContact O-N 3.37Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.3Å; L133-A136 PolarHBondContact O-N 2.88Å; L133-I137 HydrophobicContact CD1-CD1 3.88Å; L133-I137 HydrophobicContact CD1-CG1 4.17Å; L133-I137 HydrophobicContact CG-CD1 3.77Å; L133-I137 WeakPolarHBondContact O-CB 3.49Å; L133-I137 WeakPolarHBondContact O-CD1 3.16Å; L133-I137 VanDerWaalsContact O-CG1 3.23Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.98Å; L133-C154 HydrophobicContact CD2-CB 3.74Å; L133-A173 HydrophobicContact CB-CB 4.05Å; L133-L177 HydrophobicContact CD1-CB 4.13Å; L133-L177 HydrophobicContact CD1-CD1 4.45Å; L133-F199 HydrophobicContact CD1-CZ 4.26Å
134I96.1Very high91.5Very high46 Ų4671.5 Ų71.524%0.23635%0.351CS..Hα-helixtrans-61.8-38.5176-72.9168.4000111.4H130 V131 R138 Y151H130-I134 WeakPolarHBondContact O-CB 3.5Å; H130-I134 VanDerWaalsContact O-CG1 3.3Å; H130-I134 WeakPolarHBondContact O-CG1 3.27Å; H130-I134 PolarHBondContact O-N 3.27Å; V131-I134 PolarHBondContact O-N 3.45Å; I134-R138 WeakPolarHBondContact O-CB 3.32Å; I134-R138 VanDerWaalsContact O-CG 3.27Å; I134-R138 WeakPolarHBondContact O-CG 3.47Å; I134-R138 PolarHBondContact O-N 3.5Å; I134-R138 VanDerWaalsContact O-N 3.11Å; I134-Y151 HydrophobicContact CD1-CD2 4.02Å; I134-Y151 HydrophobicContact CD1-CE2 3.77Å; I134-Y151 HydrophobicContact CG1-CD2 4.19Å; I134-Y151 HydrophobicContact CG1-CE2 4.43Å
135K96Very high92.1Very high156 Ų15673.6 Ų73.668%0.67836%0.36SS*.Hα-helixtrans-61.4-49.4174.7-173.1-166.5175-162.40111.2V131 L132 L133 R138 A139V131-K135 PolarHBondContact O-N 3.26Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 2.93Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.3Å; K135-R138 PolarHBondContact O-N 3.41Å; K135-A139 WeakPolarHBondContact O-CB 3.41Å; K135-A139 PolarHBondContact O-N 3.39Å
136A96Very high92.9Very high6 Ų666.8 Ų66.85%0.0533%0.328CS..Hα-helixtrans-64.4-42.7-179.900000112.6L132 L133 R138 N140 I198 F199L132-A136 PolarHBondContact O-N 3.08Å; L133-A136 PolarHBondContact O-N 2.88Å; A136-R138 PolarHBondContact O-N 3.38Å; A136-N140 PolarHBondContact O-N 3.24Å; A136-N140 VanDerWaalsContact O-N 3.15Å; A136-N140 PolarHBondContact O-ND2 3.31Å; A136-I198 HydrophobicContact CB-CD1 4.19Å; A136-I198 HydrophobicContact CB-CG1 4.32Å; A136-F199 HydrophobicContact CB-CD1 4.2Å; A136-F199 HydrophobicContact CB-CE1 3.44Å; A136-F199 VanDerWaalsContact CB-CE1 3.44Å; A136-F199 HydrophobicContact CB-CE2 4.39Å; A136-F199 HydrophobicContact CB-CZ 3.56Å
137I95.2Very high93.7Very high21 Ų2165 Ų6511%0.10832%0.318CS..Hα-helixtrans-55.1-50.8174.6-75.1162.9000111L133 K141 F142 A147L133-I137 HydrophobicContact CD1-CD1 3.88Å; L133-I137 HydrophobicContact CD1-CG1 4.17Å; L133-I137 HydrophobicContact CG-CD1 3.77Å; L133-I137 WeakPolarHBondContact O-CB 3.49Å; L133-I137 WeakPolarHBondContact O-CD1 3.16Å; L133-I137 VanDerWaalsContact O-CG1 3.23Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.98Å; I137-K141 PolarHBondContact O-N 3.42Å; I137-K141 VanDerWaalsContact O-N 3.08Å; I137-F142 HydrophobicContact CG2-CB 4.47Å; I137-F142 PolarHBondContact O-N 3.32Å; I137-F142 VanDerWaalsContact O-N 3.13Å; I137-A147 HydrophobicContact CD1-CB 3.99Å; I137-A147 HydrophobicContact CG1-CB 4.3Å; I137-A147 HydrophobicContact CG2-CB 3.58Å
138R94.6Very high93.9Very high154 Ų15462.4 Ų62.458%0.58131%0.308SS*.Hα-helixtrans-66.9-47-177.3-74.2170.1169.1-174.8-3.7112.3I134 K135 A136 N140 K141 Y326I134-R138 WeakPolarHBondContact O-CB 3.32Å; I134-R138 VanDerWaalsContact O-CG 3.27Å; I134-R138 WeakPolarHBondContact O-CG 3.47Å; I134-R138 PolarHBondContact O-N 3.5Å; I134-R138 VanDerWaalsContact O-N 3.11Å; K135-R138 PolarHBondContact O-N 3.41Å; A136-R138 PolarHBondContact O-N 3.38Å; R138-N140 PolarHBondContact O-N 2.96Å; R138-K141 PolarHBondContact O-N 3.45Å; R138-Y326 VanDerWaalsContact NH2-CZ 3.28Å; R138-Y326 PolarHBondContact NH2-OH 3.34Å
139A94.9Very high93.9Very high74 Ų7461.7 Ų61.761%0.61231%0.305SS*.Hα-helixtrans-62.4-43.1-176.800000112.1K135K135-A139 WeakPolarHBondContact O-CB 3.41Å; K135-A139 PolarHBondContact O-N 3.39Å
140N92.8Very high93.9Very high81 Ų8161.2 Ų61.243%0.43330%0.302SS..THydrogen-bonded Turntrans-95.16.3-176.4-58.3-75.4000113.5A136 R138 F142A136-N140 PolarHBondContact O-N 3.24Å; A136-N140 VanDerWaalsContact O-N 3.15Å; A136-N140 PolarHBondContact O-ND2 3.31Å; R138-N140 PolarHBondContact O-N 2.96Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 HydrophobicContact CB-CD2 3.73Å; N140-F142 HydrophobicContact CB-CE2 3.5Å; N140-F142 VanDerWaalsContact CB-CE2 3.5Å; N140-F142 HydrophobicContact CB-CZ 4.44Å; N140-F142 PolarHBondContact O-N 2.72Å
141K92.5Very high93.8Very high188 Ų18864 Ų6482%0.81731%0.313SS*.THydrogen-bonded Turntrans53.939.7176.5-54.6177.2-176.3173.70114.4I137 R138I137-K141 PolarHBondContact O-N 3.42Å; I137-K141 VanDerWaalsContact O-N 3.08Å; R138-K141 PolarHBondContact O-N 3.45Å
142F92.1Very high93.7Very high40 Ų4063.7 Ų63.718%0.17531%0.305CS..  trans-58.5143.8179.8-81.5-84.1000112.3I137 N140 I146 L177 I188 I198I137-F142 HydrophobicContact CG2-CB 4.47Å; I137-F142 PolarHBondContact O-N 3.32Å; I137-F142 VanDerWaalsContact O-N 3.13Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 HydrophobicContact CB-CD2 3.73Å; N140-F142 HydrophobicContact CB-CE2 3.5Å; N140-F142 VanDerWaalsContact CB-CE2 3.5Å; N140-F142 HydrophobicContact CB-CZ 4.44Å; N140-F142 PolarHBondContact O-N 2.72Å; F142-I146 HydrophobicContact CD1-CG2 4.22Å; F142-L177 HydrophobicContact CD1-CD1 4.28Å; F142-L177 HydrophobicContact CE1-CD1 4.28Å; F142-L177 HydrophobicContact CE1-CD2 4.27Å; F142-L177 HydrophobicContact CE2-CD2 3.94Å; F142-L177 HydrophobicContact CG-CD1 4.44Å; F142-L177 HydrophobicContact CZ-CD1 4.44Å; F142-L177 HydrophobicContact CZ-CD2 3.73Å; F142-I188 HydrophobicContact CE1-CG2 3.95Å; F142-I188 HydrophobicContact CZ-CG2 3.74Å; F142-I198 HydrophobicContact CE2-CD1 4.16Å; F142-I198 HydrophobicContact CZ-CD1 4.46Å
143P91.6Very high93.5Very high67 Ų6762.6 Ų62.644%0.43530%0.299SS..  trans-52146176.1-2834.6000113.3E145 I146 A147P143-E145 WeakPolarHBondContact CB-OE2 3.34Å; P143-E145 PolarHBondContact O-N 3.49Å; P143-E145 VanDerWaalsContact O-N 3.13Å; P143-I146 HydrophobicContact CB-CG1 4.48Å; P143-I146 HydrophobicContact CG-CD1 4.23Å; P143-I146 PolarHBondContact O-N 3.15Å; P143-I146 VanDerWaalsContact O-N 3.09Å; P143-A147 WeakPolarHBondContact O-CB 3.39Å; P143-A147 PolarHBondContact O-N 3.08Å
144K90.4Very high93.5Very high151 Ų15162.6 Ų62.666%0.65730%0.3SS*.Hα-helixtrans-57.8-32-177.9-68.1-176.1178.5-179.10112A147 H148K144-A147 PolarHBondContact O-N 3.21Å; K144-H148 WeakPolarHBondContact O-CB 3.37Å; K144-H148 PolarHBondContact O-CD2 2.99Å; K144-H148 VanDerWaalsContact O-CD2 3.22Å; K144-H148 PolarHBondContact O-N 3.33Å
145E88.3Confident93.4Very high97 Ų9761.1 Ų61.145%0.45329%0.293SS..Hα-helixtrans-66.2-48.4179.4-60.963.6-137.800110.4P143 T149P143-E145 WeakPolarHBondContact CB-OE2 3.34Å; P143-E145 PolarHBondContact O-N 3.49Å; P143-E145 VanDerWaalsContact O-N 3.13Å; E145-T149 VanDerWaalsContact O-CB 3.31Å; E145-T149 WeakPolarHBondContact O-CB 3.48Å; E145-T149 PolarHBondContact O-N 3.19Å; E145-T149 PolarHBondContact O-OG1 3.18Å
146I92.1Very high93.3Very high4 Ų454.5 Ų54.52%0.02127%0.265CS..Hα-helixtrans-68.4-40175.9-62.9179.7000110.4F142 P143 T149 S150 L177 A180 N184 T186F142-I146 HydrophobicContact CD1-CG2 4.22Å; P143-I146 HydrophobicContact CB-CG1 4.48Å; P143-I146 HydrophobicContact CG-CD1 4.23Å; P143-I146 PolarHBondContact O-N 3.15Å; P143-I146 VanDerWaalsContact O-N 3.09Å; I146-T149 PolarHBondContact O-N 3.22Å; I146-S150 VanDerWaalsContact O-CB 3.29Å; I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.44Å; I146-S150 PolarHBondContact O-OG 3.33Å; I146-L177 HydrophobicContact CG2-CD1 3.77Å; I146-A180 HydrophobicContact CG2-CB 4.33Å; I146-N184 HydrophobicContact CG1-CB 4.28Å; I146-T186 HydrophobicContact CD1-CG2 3.74Å
147A93.7Very high93.3Very high14 Ų1454.2 Ų54.212%0.11626%0.262CS..Hα-helixtrans-60.9-47.4176.600000112.6I137 P143 K144 S150 Y151I137-A147 HydrophobicContact CD1-CB 3.99Å; I137-A147 HydrophobicContact CG1-CB 4.3Å; I137-A147 HydrophobicContact CG2-CB 3.58Å; P143-A147 WeakPolarHBondContact O-CB 3.39Å; P143-A147 PolarHBondContact O-N 3.08Å; K144-A147 PolarHBondContact O-N 3.21Å; A147-S150 PolarHBondContact O-OG 2.9Å; A147-Y151 WeakPolarHBondContact O-CB 3.43Å; A147-Y151 PolarHBondContact O-N 3.4Å; A147-Y151 VanDerWaalsContact O-N 3.14Å
148H91.3Very high93.4Very high87 Ų8753.6 Ų53.640%0.40326%0.259SS..Hα-helixtrans-69.5-39.3178.4-69.6-167.6000111.5K144 Y152K144-H148 WeakPolarHBondContact O-CB 3.37Å; K144-H148 PolarHBondContact O-CD2 2.99Å; K144-H148 VanDerWaalsContact O-CD2 3.22Å; K144-H148 PolarHBondContact O-N 3.33Å; H148-Y152 VanDerWaalsContact O-CB 3.29Å; H148-Y152 WeakPolarHBondContact O-CB 3.2Å; H148-Y152 PolarHBondContact O-N 3.19Å
149T92Very high93.3Very high2 Ų247.2 Ų47.21%0.01224%0.236CC..Hα-helixtrans-67.3-46.3177.8-660000111.8E145 I146 Y152 V153 A180 L234E145-T149 VanDerWaalsContact O-CB 3.31Å; E145-T149 WeakPolarHBondContact O-CB 3.48Å; E145-T149 PolarHBondContact O-N 3.19Å; E145-T149 PolarHBondContact O-OG1 3.18Å; I146-T149 PolarHBondContact O-N 3.22Å; T149-Y152 PolarHBondContact O-N 2.91Å; T149-V153 HydrophobicContact CG2-CG2 4.42Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.03Å; T149-A180 HydrophobicContact CG2-CB 3.6Å; T149-L234 HydrophobicContact CG2-CD2 3.46Å; T149-L234 VanDerWaalsContact CG2-CD2 3.46Å
150S95.8Very high93.2Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-65.7-43.2-179.454.70000112.4I146 A147 Y152 V153 C154 S176I146-S150 VanDerWaalsContact O-CB 3.29Å; I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.44Å; I146-S150 PolarHBondContact O-OG 3.33Å; A147-S150 PolarHBondContact O-OG 2.9Å; S150-Y152 VanDerWaalsContact C-N 3.26Å; S150-Y152 PolarHBondContact O-N 2.47Å; S150-V153 PolarHBondContact O-N 3.06Å; S150-C154 WeakPolarHBondContact O-CB 3.2Å; S150-C154 PolarHBondContact O-N 3.11Å; S150-S176 WeakPolarHBondContact CA-O 3.37Å; S150-S176 VanDerWaalsContact CB-O 3.26Å; S150-S176 WeakPolarHBondContact CB-O 3.09Å
151Y95.3Very high93.3Very high63 Ų6340.1 Ų40.125%0.24719%0.188CC..Hα-helixtrans-58.6-41.1174.1-174.6-87.4000111.6Q33 H130 I134 A147 C154 T155Q33-Y151 HydrophobicContact CG-CE1 4.48Å; Q33-Y151 VanDerWaalsContact CG-OH 3.28Å; Q33-Y151 WeakPolarHBondContact CG-OH 3.38Å; H130-Y151 HydrophobicContact CB-CD2 4.48Å; H130-Y151 HydrophobicContact CB-CE2 3.93Å; H130-Y151 AromaticContact CD2-CD2 3.91Å; H130-Y151 AromaticContact CD2-CE2 3.54Å; H130-Y151 AromaticContact CD2-CZ 3.73Å; I134-Y151 HydrophobicContact CD1-CD2 4.02Å; I134-Y151 HydrophobicContact CD1-CE2 3.77Å; I134-Y151 HydrophobicContact CG1-CD2 4.19Å; I134-Y151 HydrophobicContact CG1-CE2 4.43Å; A147-Y151 WeakPolarHBondContact O-CB 3.43Å; A147-Y151 PolarHBondContact O-N 3.4Å; A147-Y151 VanDerWaalsContact O-N 3.14Å; Y151-C154 WeakPolarHBondContact O-CB 3.25Å; Y151-C154 PolarHBondContact O-N 3.47Å; Y151-T155 PolarHBondContact O-N 3.46Å; Y151-T155 PolarHBondContact O-OG1 3.1Å
152Y92.2Very high93.4Very high61 Ų6132.9 Ų32.924%0.23916%0.159CC..Hα-helixtrans-69-39.2178.3-178.7-127000112.8H148 T149 S150 T155 N156 L230H148-Y152 VanDerWaalsContact O-CB 3.29Å; H148-Y152 WeakPolarHBondContact O-CB 3.2Å; H148-Y152 PolarHBondContact O-N 3.19Å; T149-Y152 PolarHBondContact O-N 2.91Å; S150-Y152 VanDerWaalsContact C-N 3.26Å; S150-Y152 PolarHBondContact O-N 2.47Å; Y152-T155 PolarHBondContact O-N 3.15Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.42Å; Y152-N156 PolarHBondContact O-N 3.04Å; Y152-N156 PolarHBondContact O-ND2 3.17Å; Y152-L230 HydrophobicContact CD1-CD1 4Å; Y152-L230 HydrophobicContact CD1-CG 4.48Å; Y152-L230 HydrophobicContact CE1-CB 4.29Å; Y152-L230 HydrophobicContact CE1-CD1 3.42Å; Y152-L230 VanDerWaalsContact CE1-CD1 3.42Å; Y152-L230 HydrophobicContact CE1-CG 3.77Å; Y152-L230 WeakPolarHBondContact OH-CA 3.24Å
153V93.9Very high93.6Very high2 Ų231 Ų311%0.01215%0.151CC..Hα-helixtrans-60.5-46.4170.1171.30000110.7T149 S150 T155 N156 I157 I179 F215T149-V153 HydrophobicContact CG2-CG2 4.42Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.03Å; S150-V153 PolarHBondContact O-N 3.06Å; V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 3.34Å; V153-N156 CarbonylContact O-C 3.6Å; V153-N156 WeakPolarHBondContact O-CA 3.39Å; V153-N156 PolarHBondContact O-N 3.48Å; V153-I157 HydrophobicContact CG1-CD1 4.05Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 PolarHBondContact O-N 3.29Å; V153-I179 HydrophobicContact CG1-CB 4.09Å; V153-I179 HydrophobicContact CG1-CD1 3.65Å; V153-I179 HydrophobicContact CG1-CG1 4.49Å; V153-I179 HydrophobicContact CG1-CG2 4Å; V153-I179 HydrophobicContact CG2-CB 4.48Å; V153-I179 HydrophobicContact CG2-CG2 3.83Å; V153-F215 HydrophobicContact CG1-CE1 4.03Å; V153-F215 HydrophobicContact CG1-CZ 4.34Å
154C97Very high93.8Very high1 Ų128 Ų281%0.00713%0.132CC..Hα-helixtrans-56.5-41.7177.9-166.60000112.3H130 L133 S150 Y151 L158 S176H130-C154 VanDerWaalsContact CE1-SG 3.57Å; L133-C154 HydrophobicContact CD2-CB 3.74Å; S150-C154 WeakPolarHBondContact O-CB 3.2Å; S150-C154 PolarHBondContact O-N 3.11Å; Y151-C154 WeakPolarHBondContact O-CB 3.25Å; Y151-C154 PolarHBondContact O-N 3.47Å; C154-L158 PolarHBondContact O-N 3.05Å; C154-S176 VanDerWaalsContact CA-OG 3.26Å; C154-S176 WeakPolarHBondContact CA-OG 3.39Å; C154-S176 WeakPolarHBondContact CB-OG 3.34Å
155T94.4Very high94Very high15 Ų1522.5 Ų22.59%0.09211%0.109CC..Hα-helixtrans-67.2-35.8173.8-59.50000112.5H130 Y151 Y152 V153 L158 H159H130-T155 WeakPolarHBondContact NE2-CA 3.38Å; H130-T155 PolarHBondContact NE2-N 2.89Å; H130-T155 VanDerWaalsContact NE2-N 3.16Å; H130-T155 PolarHBondContact NE2-OG1 2.91Å; Y151-T155 PolarHBondContact O-N 3.46Å; Y151-T155 PolarHBondContact O-OG1 3.1Å; Y152-T155 PolarHBondContact O-N 3.15Å; V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 3.34Å; T155-L158 PolarHBondContact O-N 3.25Å; T155-H159 PolarHBondContact O-N 3.41Å; T155-H159 PolarHBondContact O-ND1 2.95Å
156N93.6Very high94.2Very high17 Ų1723.4 Ų23.49%0.09111%0.108CC..Hα-helixtrans-73.9-33.5177.1-79.6-96.2000112.5Y152 V153 L158 H159 L160 F215 L230Y152-N156 WeakPolarHBondContact CE2-ND2 3.42Å; Y152-N156 PolarHBondContact O-N 3.04Å; Y152-N156 PolarHBondContact O-ND2 3.17Å; V153-N156 CarbonylContact O-C 3.6Å; V153-N156 WeakPolarHBondContact O-CA 3.39Å; V153-N156 PolarHBondContact O-N 3.48Å; N156-L158 VanDerWaalsContact C-N 3.31Å; N156-L158 PolarHBondContact O-N 3.29Å; N156-H159 PolarHBondContact O-N 2.91Å; N156-L160 HydrophobicContact CB-CD1 4.11Å; N156-L160 WeakPolarHBondContact O-CB 3.5Å; N156-L160 VanDerWaalsContact O-CG 3.27Å; N156-L160 WeakPolarHBondContact O-CG 3.37Å; N156-L160 PolarHBondContact O-N 2.92Å; N156-F215 HydrophobicContact CB-CE2 3.96Å; N156-F215 HydrophobicContact CB-CZ 3.95Å; N156-L230 HydrophobicContact CB-CD1 4.1Å; N156-L230 WeakPolarHBondContact ND2-CD1 3.22Å
157I96.3Very high94.4Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-58.1-47.3169.8-69.7169.6000109.8V153 H159 T161 L163 I172 F215V153-I157 HydrophobicContact CG1-CD1 4.05Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 PolarHBondContact O-N 3.29Å; I157-H159 PolarHBondContact O-N 3.43Å; I157-T161 PolarHBondContact O-N 2.93Å; I157-T161 PolarHBondContact O-OG1 3.44Å; I157-L163 HydrophobicContact CG2-CB 4.01Å; I157-L163 HydrophobicContact CG2-CD1 4.04Å; I157-I172 HydrophobicContact CD1-CG2 4.27Å; I157-I172 HydrophobicContact CG2-CG2 3.92Å; I157-F215 HydrophobicContact CB-CD2 4.33Å; I157-F215 HydrophobicContact CD1-CG 4.48Å; I157-F215 HydrophobicContact CG1-CB 4.3Å; I157-F215 HydrophobicContact CG1-CD1 4.45Å; I157-F215 HydrophobicContact CG1-CD2 3.42Å; I157-F215 VanDerWaalsContact CG1-CD2 3.42Å; I157-F215 HydrophobicContact CG1-CE2 3.79Å; I157-F215 HydrophobicContact CG1-CG 3.79Å; I157-F215 HydrophobicContact CG1-CZ 4.44Å
158L96.2Very high94.5Very high8 Ų826.5 Ų26.54%0.04213%0.126CC..Hα-helixtrans-66.6-28.3178.4178.362.6000114N37 I40 Y41 C154 T155 N156 V164N37-L158 HydrophobicContact CB-CD2 3.74Å; I40-L158 HydrophobicContact CB-CD1 4.4Å; I40-L158 HydrophobicContact CB-CD2 4.42Å; I40-L158 HydrophobicContact CB-CG 4.25Å; I40-L158 HydrophobicContact CG2-CD1 3.87Å; I40-L158 HydrophobicContact CG2-CD2 4.44Å; I40-L158 HydrophobicContact CG2-CG 3.76Å; I40-L158 WeakPolarHBondContact CG2-O 3.17Å; Y41-L158 HydrophobicContact CD2-CD1 4.4Å; C154-L158 PolarHBondContact O-N 3.05Å; T155-L158 PolarHBondContact O-N 3.25Å; N156-L158 VanDerWaalsContact C-N 3.31Å; N156-L158 PolarHBondContact O-N 3.29Å; L158-V164 HydrophobicContact CD1-CG1 4.02Å; L158-V164 HydrophobicContact CD1-CG2 4.36Å
159H93.9Very high94.7Very high19 Ų1922.8 Ų22.89%0.08811%0.11CC..Hα-helixtrans-87.6-36177.5-80.672.4000113.8Q23 I40 T155 N156 I157Q23-H159 PolarHBondContact OE1-CE1 3.25Å; Q23-H159 PolarHBondContact OE1-NE2 3.46Å; I40-H159 WeakPolarHBondContact CD1-CE1 3.21Å; I40-H159 WeakPolarHBondContact CD1-NE2 3.49Å; T155-H159 PolarHBondContact O-N 3.41Å; T155-H159 PolarHBondContact O-ND1 2.95Å; N156-H159 PolarHBondContact O-N 2.91Å; I157-H159 PolarHBondContact O-N 3.43Å
160L92Very high94.9Very high6 Ų625.6 Ų25.63%0.03112%0.123CC..Hα-helixtrans-103.2-17.2-163.7-56.2178.9000114.1Q16 N156 T218 F219 I226Q16-L160 PolarHBondContact NE2-O 3.35Å; N156-L160 HydrophobicContact CB-CD1 4.11Å; N156-L160 WeakPolarHBondContact O-CB 3.5Å; N156-L160 VanDerWaalsContact O-CG 3.27Å; N156-L160 WeakPolarHBondContact O-CG 3.37Å; N156-L160 PolarHBondContact O-N 2.92Å; L160-T218 WeakPolarHBondContact O-CG2 3.46Å; L160-F219 HydrophobicContact CD1-CD2 4.29Å; L160-I226 HydrophobicContact CD1-CG2 4.06Å; L160-I226 HydrophobicContact CD2-CD1 4.27Å; L160-I226 HydrophobicContact CD2-CG2 4.28Å
161T94.6Very high95Very high1 Ų125.6 Ų25.61%0.00612%0.123CC..  trans-130.4172-168.778.30000112.8H44 I157 L163 F215 T218H44-T161 PolarHBondContact NE2-O 3.22Å; I157-T161 PolarHBondContact O-N 2.93Å; I157-T161 PolarHBondContact O-OG1 3.44Å; T161-L163 HydrophobicContact CG2-CD1 3.95Å; T161-L163 WeakPolarHBondContact OG1-CB 3.35Å; T161-L163 WeakPolarHBondContact OG1-CD1 3.49Å; T161-L163 PolarHBondContact OG1-N 3.01Å; T161-F215 HydrophobicContact CG2-CD2 3.91Å; T161-T218 HydrophobicContact CG2-CG2 4.13Å
162T95.1Very high95.2Very high35 Ų3522.7 Ų22.722%0.21511%0.112CC..SBendtrans-102.115.2167.458.20000113.2L12 V164 L165 R166L12-T162 HydrophobicContact CD1-CG2 4.31Å; T162-V164 PolarHBondContact O-N 3.41Å; T162-V164 VanDerWaalsContact O-N 3.15Å; T162-L165 WeakPolarHBondContact O-CB 3.29Å; T162-L165 PolarHBondContact O-N 3.42Å; T162-R166 PolarHBondContact OG1-NH2 3.18Å; T162-R166 VanDerWaalsContact OG1-NH2 3.1Å
163L96.5Very high95.4Very high0 Ų019.8 Ų19.80%010%0.101CC..G310 helixtrans-57.6-33-174.9-73.8161.8000112.7I157 T161 L165 R166 H167 I172 I211 E214 F215I157-L163 HydrophobicContact CG2-CB 4.01Å; I157-L163 HydrophobicContact CG2-CD1 4.04Å; T161-L163 HydrophobicContact CG2-CD1 3.95Å; T161-L163 WeakPolarHBondContact OG1-CB 3.35Å; T161-L163 WeakPolarHBondContact OG1-CD1 3.49Å; T161-L163 PolarHBondContact OG1-N 3.01Å; L163-L165 PolarHBondContact O-N 2.88Å; L163-R166 PolarHBondContact O-N 3.46Å; L163-H167 PolarHBondContact O-N 3.28Å; L163-I172 HydrophobicContact CB-CD1 4.45Å; L163-I211 HydrophobicContact CD1-CG2 4.05Å; L163-I211 HydrophobicContact CD2-CG1 4.38Å; L163-I211 HydrophobicContact CD2-CG2 4.41Å; L163-E214 HydrophobicContact CD2-CB 4.28Å; L163-E214 HydrophobicContact CD2-CG 4.44Å; L163-E214 WeakPolarHBondContact CD2-OE1 3.46Å; L163-F215 HydrophobicContact CD1-CB 4.08Å
164V95.4Very high95.6Very high5 Ų519.7 Ų19.73%0.0310%0.1CC..G310 helixtrans-61.3-9.8176.7-61.50000115.4Y41 H44 L158 T162 I172Y41-V164 HydrophobicContact CD2-CB 4.26Å; Y41-V164 HydrophobicContact CD2-CG2 4.49Å; Y41-V164 HydrophobicContact CE2-CB 4.11Å; H44-V164 HydrophobicContact CB-CG2 4Å; L158-V164 HydrophobicContact CD1-CG1 4.02Å; L158-V164 HydrophobicContact CD1-CG2 4.36Å; T162-V164 PolarHBondContact O-N 3.41Å; T162-V164 VanDerWaalsContact O-N 3.15Å; V164-I172 HydrophobicContact CB-CD1 4.23Å; V164-I172 HydrophobicContact CG1-CD1 3.79Å
165L93.9Very high95.7Very high35 Ų3519.7 Ų19.718%0.18310%0.1CC..G310 helixtrans-103.5-9.9178.2-57.5173.3000113.1H44 Y45 E48 T162 L163H44-L165 HydrophobicContact CB-CD1 4.15Å; H44-L165 HydrophobicContact CB-CD2 4.08Å; H44-L165 HydrophobicContact CB-CG 4.27Å; H44-L165 VanDerWaalsContact CE1-CD1 3.45Å; H44-L165 WeakPolarHBondContact CE1-CD1 3.29Å; H44-L165 WeakPolarHBondContact O-CD1 3.4Å; Y45-L165 HydrophobicContact CD1-CD2 4.21Å; Y45-L165 HydrophobicContact CD2-CD2 3.47Å; Y45-L165 VanDerWaalsContact CD2-CD2 3.47Å; Y45-L165 HydrophobicContact CE1-CD2 4.28Å; Y45-L165 HydrophobicContact CE2-CD2 3.54Å; Y45-L165 HydrophobicContact CG-CD2 3.82Å; E48-L165 HydrophobicContact CB-CD1 4.29Å; E48-L165 HydrophobicContact CG-CD1 4.35Å; E48-L165 WeakPolarHBondContact OE2-CD1 3.46Å; T162-L165 WeakPolarHBondContact O-CB 3.29Å; T162-L165 PolarHBondContact O-N 3.42Å; L163-L165 PolarHBondContact O-N 2.88Å
166R93.9Very high95.9Very high116 Ų11619 Ų1944%0.43810%0.096SC..THydrogen-bonded Turntrans-124.5-12.9-174.6-73.2177.5-72.4120.5-7.6114.4T162 L163 E214T162-R166 PolarHBondContact OG1-NH2 3.18Å; T162-R166 VanDerWaalsContact OG1-NH2 3.1Å; L163-R166 PolarHBondContact O-N 3.46Å; R166-E214 IonicContact CZ-OE1 2.64Å; R166-E214 IonicContact CZ-OE2 3.71Å; R166-E214 IonicContact NH1-OE1 2.72Å; R166-E214 IonicContact NH1-OE2 3.55Å; R166-E214 PolarHBondContact NH1-OE2 3.28Å; R166-E214 IonicContact NH2-OE1 2.68Å; R166-E214 PolarHBondContact NH2-OE1 3.34Å; R166-E214 IonicContact NH2-OE2 2.69Å; R166-E214 PolarHBondContact NH2-OE2 3.32Å
167H95.4Very high96Very high30 Ų3018.1 Ų18.114%0.1399%0.091CC..SBendtrans-131.5147.9-175.9-64.7-83.8000110.9L163 I172 I211L163-H167 PolarHBondContact O-N 3.28Å; H167-I172 HydrophobicContact CB-CD1 4.2Å; H167-I172 HydrophobicContact CB-CG1 4.04Å; H167-I211 HydrophobicContact CB-CD1 3.75Å; H167-I211 HydrophobicContact CB-CG1 4.19Å
168S94.9Very high96Very high53 Ų5320.2 Ų20.237%0.37110%0.099SC..  trans-64.1156.6177.862.40000111.9E170 A171 I172S168-E170 WeakPolarHBondContact CB-OE2 3.42Å; S168-E170 PolarHBondContact O-N 3.34Å; S168-A171 PolarHBondContact O-N 3.37Å; S168-A171 VanDerWaalsContact OG-CB 3.3Å; S168-A171 WeakPolarHBondContact OG-CB 3.45Å; S168-A171 PolarHBondContact OG-N 3.45Å; S168-I172 PolarHBondContact O-N 3.23Å; S168-I172 VanDerWaalsContact O-N 3.1Å
169A96Very high96Very high9 Ų921 Ų217%0.07410%0.103CC..Hα-helixtrans-64.4-31.8178.700000111.6K127 P129 L132 A173K127-A169 WeakPolarHBondContact O-CB 3.48Å; P129-A169 HydrophobicContact CB-CB 4.46Å; P129-A169 HydrophobicContact CG-CB 3.98Å; L132-A169 HydrophobicContact CD1-CB 3.59Å; A169-A173 VanDerWaalsContact O-CB 3.27Å; A169-A173 WeakPolarHBondContact O-CB 3.19Å; A169-A173 PolarHBondContact O-N 3.14Å
170E97.1Very high96Very high61 Ų6120 Ų2029%0.28510%0.099SC..Hα-helixtrans-60.8-49.3172.2-66.871.9-161.400111.6L132 S168 I172 A173 A174 F199L132-E170 HydrophobicContact CD1-CG 3.93Å; L132-E170 WeakPolarHBondContact CD1-OE1 3.44Å; S168-E170 WeakPolarHBondContact CB-OE2 3.42Å; S168-E170 PolarHBondContact O-N 3.34Å; E170-I172 PolarHBondContact O-N 3.45Å; E170-A173 PolarHBondContact O-N 3.31Å; E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.34Å; E170-F199 HydrophobicContact CB-CB 4.04Å
171A97.9Very high96Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-65.4-4018000000112S168 A174 A175 L203 I211S168-A171 PolarHBondContact O-N 3.37Å; S168-A171 VanDerWaalsContact OG-CB 3.3Å; S168-A171 WeakPolarHBondContact OG-CB 3.45Å; S168-A171 PolarHBondContact OG-N 3.45Å; A171-A174 PolarHBondContact O-N 3.06Å; A171-A175 PolarHBondContact O-N 3.05Å; A171-L203 HydrophobicContact CB-CD1 3.59Å; A171-I211 HydrophobicContact CB-CD1 3.5Å; A171-I211 VanDerWaalsContact CB-CD1 3.5Å
172I98.2Very high95.9Very high3 Ų324.7 Ų24.72%0.01512%0.119CC..Hα-helixtrans-68.8-39177.3-66.6173.8000111.4P129 I157 L163 V164 H167 S168 E170 S176 I211P129-I172 HydrophobicContact CB-CB 4.1Å; P129-I172 HydrophobicContact CB-CG2 3.79Å; P129-I172 HydrophobicContact CG-CB 4.09Å; P129-I172 HydrophobicContact CG-CG2 3.87Å; I157-I172 HydrophobicContact CD1-CG2 4.27Å; I157-I172 HydrophobicContact CG2-CG2 3.92Å; L163-I172 HydrophobicContact CB-CD1 4.45Å; V164-I172 HydrophobicContact CB-CD1 4.23Å; V164-I172 HydrophobicContact CG1-CD1 3.79Å; H167-I172 HydrophobicContact CB-CD1 4.2Å; H167-I172 HydrophobicContact CB-CG1 4.04Å; S168-I172 PolarHBondContact O-N 3.23Å; S168-I172 VanDerWaalsContact O-N 3.1Å; E170-I172 PolarHBondContact O-N 3.45Å; I172-S176 WeakPolarHBondContact O-CB 3.31Å; I172-S176 PolarHBondContact O-N 3.31Å; I172-S176 PolarHBondContact O-OG 2.96Å; I172-I211 HydrophobicContact CG1-CD1 4.37Å
173A98.2Very high95.5Very high0 Ų028 Ų280%013%0.128CC..Hα-helixtrans-64.1-41173.600000111.7P129 L132 L133 A169 E170 S176 L177 F199P129-A173 HydrophobicContact CB-CB 4.47Å; L132-A173 HydrophobicContact CB-CB 4.17Å; L133-A173 HydrophobicContact CB-CB 4.05Å; A169-A173 VanDerWaalsContact O-CB 3.27Å; A169-A173 WeakPolarHBondContact O-CB 3.19Å; A169-A173 PolarHBondContact O-N 3.14Å; E170-A173 PolarHBondContact O-N 3.31Å; A173-S176 PolarHBondContact O-N 3.05Å; A173-L177 PolarHBondContact O-N 3.4Å; A173-L177 VanDerWaalsContact O-N 3.08Å; A173-F199 HydrophobicContact CB-CD1 3.67Å; A173-F199 HydrophobicContact CB-CE1 3.47Å; A173-F199 VanDerWaalsContact CB-CE1 3.47Å; A173-F199 HydrophobicContact CB-CZ 4.23Å
174A98.1Very high94.9Very high0 Ų029.4 Ų29.40%014%0.135CC..Hα-helixtrans-64.4-49.2175.500000112.7E170 A171 S176 L177 Y178 W195 F199 L203 V208E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.34Å; A171-A174 PolarHBondContact O-N 3.06Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.89Å; A174-L177 WeakPolarHBondContact O-CB 3.43Å; A174-L177 PolarHBondContact O-N 2.94Å; A174-L177 VanDerWaalsContact O-N 3.13Å; A174-Y178 WeakPolarHBondContact O-CB 3.36Å; A174-Y178 PolarHBondContact O-N 3.04Å; A174-W195 HydrophobicContact CB-CH2 4.1Å; A174-W195 HydrophobicContact CB-CZ3 4.04Å; A174-W195 WeakPolarHBondContact O-CH2 3.34Å; A174-F199 HydrophobicContact CB-CD2 3.55Å; A174-F199 HydrophobicContact CB-CE2 3.88Å; A174-F199 HydrophobicContact CB-CG 4.15Å; A174-L203 HydrophobicContact CB-CD2 3.56Å; A174-V208 HydrophobicContact CB-CG2 3.86Å
175A98.2Very high94.5Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-58.9-41.4174.700000112A171 L177 Y178 I179 V208 I211A171-A175 PolarHBondContact O-N 3.05Å; A175-L177 VanDerWaalsContact C-N 3.28Å; A175-L177 PolarHBondContact O-N 3.39Å; A175-Y178 PolarHBondContact O-N 3.46Å; A175-I179 WeakPolarHBondContact O-CB 3.38Å; A175-I179 WeakPolarHBondContact O-CD1 3.35Å; A175-I179 VanDerWaalsContact O-CG1 3.23Å; A175-I179 WeakPolarHBondContact O-CG1 3.4Å; A175-I179 PolarHBondContact O-N 2.88Å; A175-V208 HydrophobicContact CB-CG1 4.43Å; A175-I211 HydrophobicContact CB-CB 3.81Å; A175-I211 HydrophobicContact CB-CG2 3.42Å; A175-I211 VanDerWaalsContact CB-CG2 3.42Å
176S97.6Very high94.1Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-59.4-38.7175.4-59.50000112.8S150 C154 I172 A173 A174 A180S150-S176 WeakPolarHBondContact CA-O 3.37Å; S150-S176 VanDerWaalsContact CB-O 3.26Å; S150-S176 WeakPolarHBondContact CB-O 3.09Å; C154-S176 VanDerWaalsContact CA-OG 3.26Å; C154-S176 WeakPolarHBondContact CA-OG 3.39Å; C154-S176 WeakPolarHBondContact CB-OG 3.34Å; I172-S176 WeakPolarHBondContact O-CB 3.31Å; I172-S176 PolarHBondContact O-N 3.31Å; I172-S176 PolarHBondContact O-OG 2.96Å; A173-S176 PolarHBondContact O-N 3.05Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.89Å; S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 3.15Å
177L97.3Very high93.8Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-71.5-42.2174.5-17366.7000112.1L133 F142 I146 A173 A174 A175 A180 A181 I188 W195 I198 F199L133-L177 HydrophobicContact CD1-CB 4.13Å; L133-L177 HydrophobicContact CD1-CD1 4.45Å; F142-L177 HydrophobicContact CD1-CD1 4.28Å; F142-L177 HydrophobicContact CE1-CD1 4.28Å; F142-L177 HydrophobicContact CE1-CD2 4.27Å; F142-L177 HydrophobicContact CE2-CD2 3.94Å; F142-L177 HydrophobicContact CG-CD1 4.44Å; F142-L177 HydrophobicContact CZ-CD1 4.44Å; F142-L177 HydrophobicContact CZ-CD2 3.73Å; I146-L177 HydrophobicContact CG2-CD1 3.77Å; A173-L177 PolarHBondContact O-N 3.4Å; A173-L177 VanDerWaalsContact O-N 3.08Å; A174-L177 WeakPolarHBondContact O-CB 3.43Å; A174-L177 PolarHBondContact O-N 2.94Å; A174-L177 VanDerWaalsContact O-N 3.13Å; A175-L177 VanDerWaalsContact C-N 3.28Å; A175-L177 PolarHBondContact O-N 3.39Å; L177-A180 PolarHBondContact O-N 3.12Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 2.98Å; L177-I188 HydrophobicContact CD2-CD1 4.19Å; L177-I188 HydrophobicContact CG-CD1 3.93Å; L177-W195 HydrophobicContact CD2-CE3 4.35Å; L177-W195 HydrophobicContact CD2-CZ3 4.27Å; L177-I198 HydrophobicContact CD2-CD1 4.04Å; L177-F199 HydrophobicContact CB-CE2 4.49Å; L177-F199 HydrophobicContact CB-CZ 4.34Å; L177-F199 HydrophobicContact CD2-CE2 3.87Å; L177-F199 HydrophobicContact CD2-CZ 3.96Å
178Y96.5Very high93.6Very high43 Ų4331.3 Ų31.317%0.16917%0.171CC..Hα-helixtrans-61.2-51.2178.9-178-110.4000112.5A174 A175 A180 A181 K182 W195 F205 V208 T212A174-Y178 WeakPolarHBondContact O-CB 3.36Å; A174-Y178 PolarHBondContact O-N 3.04Å; A175-Y178 PolarHBondContact O-N 3.46Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 3.05Å; Y178-A181 PolarHBondContact O-N 3.2Å; Y178-K182 HydrophobicContact CD2-CG 4.25Å; Y178-K182 HydrophobicContact CE1-CG 4.24Å; Y178-K182 HydrophobicContact CE2-CD 4.22Å; Y178-K182 HydrophobicContact CE2-CG 3.86Å; Y178-K182 PolarHBondContact O-N 3.36Å; Y178-K182 WeakPolarHBondContact OH-CE 3.23Å; Y178-W195 HydrophobicContact CD2-CH2 4.33Å; Y178-W195 AromaticContact CD2-CZ2 3.6Å; Y178-W195 HydrophobicContact CD2-CZ2 3.6Å; Y178-W195 HydrophobicContact CG-CH2 4.4Å; Y178-W195 HydrophobicContact CG-CZ2 4.06Å; Y178-F205 HydrophobicContact CD2-CE2 4.25Å; Y178-F205 AromaticContact CE2-CE2 3.73Å; Y178-F205 HydrophobicContact CE2-CE2 3.73Å; Y178-F205 AromaticContact CE2-CZ 3.96Å; Y178-F205 HydrophobicContact CE2-CZ 3.96Å; Y178-F205 AromaticContact CZ-CE2 4Å; Y178-F205 AromaticContact CZ-CZ 3.79Å; Y178-V208 HydrophobicContact CD1-CG1 4.29Å; Y178-V208 HydrophobicContact CG-CG1 4.1Å; Y178-T212 HydrophobicContact CD1-CG2 4.08Å; Y178-T212 HydrophobicContact CE1-CG2 4.17Å
179I95.1Very high93.2Very high24 Ų2437.9 Ų37.912%0.12320%0.196CC..Hα-helixtrans-55.2-45.4175.2-66.7159.1000110V153 A175 W183 T212 F215V153-I179 HydrophobicContact CG1-CB 4.09Å; V153-I179 HydrophobicContact CG1-CD1 3.65Å; V153-I179 HydrophobicContact CG1-CG1 4.49Å; V153-I179 HydrophobicContact CG1-CG2 4Å; V153-I179 HydrophobicContact CG2-CB 4.48Å; V153-I179 HydrophobicContact CG2-CG2 3.83Å; A175-I179 WeakPolarHBondContact O-CB 3.38Å; A175-I179 WeakPolarHBondContact O-CD1 3.35Å; A175-I179 VanDerWaalsContact O-CG1 3.23Å; A175-I179 WeakPolarHBondContact O-CG1 3.4Å; A175-I179 PolarHBondContact O-N 2.88Å; I179-W183 VanDerWaalsContact O-CB 3.22Å; I179-W183 WeakPolarHBondContact O-CB 3.36Å; I179-W183 PolarHBondContact O-N 3.25Å; I179-T212 HydrophobicContact CD1-CG2 4.34Å; I179-T212 HydrophobicContact CG1-CG2 3.71Å; I179-F215 HydrophobicContact CD1-CD1 3.72Å; I179-F215 HydrophobicContact CD1-CE1 4.29Å; I179-F215 HydrophobicContact CD1-CG 4.47Å
180A93.6Very high92.8Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-65.8-41179.200000113.2I146 T149 S176 L177 Y178 N184I146-A180 HydrophobicContact CG2-CB 4.33Å; T149-A180 HydrophobicContact CG2-CB 3.6Å; S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 3.15Å; L177-A180 PolarHBondContact O-N 3.12Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 3.05Å; A180-N184 WeakPolarHBondContact O-CB 3.32Å; A180-N184 PolarHBondContact O-N 3.46Å; A180-N184 VanDerWaalsContact O-N 3.08Å; A180-N184 PolarHBondContact O-ND2 3.19Å
181A92.8Very high92.2Very high1 Ų143.2 Ų43.21%0.00824%0.239CC..Hα-helixtrans-66.3-53.217900000110.9L177 Y178 W183 N184 G185 T186 I188L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 2.98Å; Y178-A181 PolarHBondContact O-N 3.2Å; A181-W183 VanDerWaalsContact C-N 3.32Å; A181-W183 PolarHBondContact O-N 3.15Å; A181-N184 PolarHBondContact O-N 2.98Å; A181-N184 VanDerWaalsContact O-N 3.09Å; A181-G185 PolarHBondContact O-N 3.42Å; A181-T186 CarbonylContact C-O 3.11Å; A181-T186 WeakPolarHBondContact CB-O 3.42Å; A181-T186 PolarHBondContact O-N 3.21Å; A181-I188 HydrophobicContact CB-CD1 3.69Å; A181-I188 HydrophobicContact CB-CG1 3.45Å; A181-I188 VanDerWaalsContact CB-CG1 3.45Å
182K92.2Very high91.8Very high103 Ų10347.2 Ų47.245%0.44826%0.26SS..Hα-helixtrans-59.8-39.5177.3-64.8-57-174.2-170.60112.1Y178 N184 G185 D187Y178-K182 HydrophobicContact CD2-CG 4.25Å; Y178-K182 HydrophobicContact CE1-CG 4.24Å; Y178-K182 HydrophobicContact CE2-CD 4.22Å; Y178-K182 HydrophobicContact CE2-CG 3.86Å; Y178-K182 PolarHBondContact O-N 3.36Å; Y178-K182 WeakPolarHBondContact OH-CE 3.23Å; K182-N184 PolarHBondContact O-N 3.02Å; K182-G185 PolarHBondContact O-N 2.86Å; K182-D187 IonicContact NZ-OD1 2.69Å; K182-D187 PolarHBondContact NZ-OD1 3.43Å
183W86Confident91.3Very high105 Ų10549.3 Ų49.340%0.39828%0.283SS..Hα-helixtrans-62.4-42.2174.4-171.8-73.1000113I179 A181 G185 L234I179-W183 VanDerWaalsContact O-CB 3.22Å; I179-W183 WeakPolarHBondContact O-CB 3.36Å; I179-W183 PolarHBondContact O-N 3.25Å; A181-W183 VanDerWaalsContact C-N 3.32Å; A181-W183 PolarHBondContact O-N 3.15Å; W183-G185 PolarHBondContact O-N 3.03Å; W183-L234 HydrophobicContact CD2-CB 4.32Å; W183-L234 HydrophobicContact CD2-CD1 3.97Å; W183-L234 HydrophobicContact CD2-CD2 4.1Å; W183-L234 HydrophobicContact CD2-CG 4.37Å; W183-L234 HydrophobicContact CE3-CD1 4Å; W183-L234 HydrophobicContact CG-CD2 4.01Å; W183-L234 HydrophobicContact CH2-CB 4.36Å; W183-L234 HydrophobicContact CH2-CD1 3.92Å; W183-L234 HydrophobicContact CZ2-CB 3.56Å; W183-L234 HydrophobicContact CZ2-CD1 3.9Å; W183-L234 HydrophobicContact CZ2-CG 4.29Å; W183-L234 HydrophobicContact CZ3-CD1 3.97Å; W183-L234 PolarHBondContact NE1-O 3.2Å
184N84.3Confident91Very high30 Ų3052.6 Ų52.616%0.1630%0.298CS..THydrogen-bonded Turntrans-76.8-0.4-179.6-78.3-77.8000113.7I146 A180 A181 K182 T186 R241I146-N184 HydrophobicContact CG1-CB 4.28Å; A180-N184 WeakPolarHBondContact O-CB 3.32Å; A180-N184 PolarHBondContact O-N 3.46Å; A180-N184 VanDerWaalsContact O-N 3.08Å; A180-N184 PolarHBondContact O-ND2 3.19Å; A181-N184 PolarHBondContact O-N 2.98Å; A181-N184 VanDerWaalsContact O-N 3.09Å; K182-N184 PolarHBondContact O-N 3.02Å; N184-T186 VanDerWaalsContact C-N 3.34Å; N184-R241 PolarHBondContact O-NH1 3.32Å
185G86.9Confident90.9Very high58 Ų5853.4 Ų53.460%0.59830%0.301SS*.THydrogen-bonded Turntrans66.537-175.200000112.2A181 K182 W183 R241A181-G185 PolarHBondContact O-N 3.42Å; K182-G185 PolarHBondContact O-N 2.86Å; W183-G185 PolarHBondContact O-N 3.03Å; G185-R241 PolarHBondContact O-NH1 2.64Å
186T87Confident90.8Very high52 Ų5254.8 Ų54.832%0.31931%0.307SS..  trans-126.8137.1-179.3-55.70000109I146 A181 N184I146-T186 HydrophobicContact CD1-CG2 3.74Å; A181-T186 CarbonylContact C-O 3.11Å; A181-T186 WeakPolarHBondContact CB-O 3.42Å; A181-T186 PolarHBondContact O-N 3.21Å; N184-T186 VanDerWaalsContact C-N 3.34Å
187D87.2Confident90.7Very high106 Ų10657.5 Ų57.557%0.56732%0.319SS*.  trans-97.2150.1175.5-154.148.1000111.5K182 Q189K182-D187 IonicContact NZ-OD1 2.69Å; K182-D187 PolarHBondContact NZ-OD1 3.43Å; D187-Q189 PolarHBondContact O-N 3.35Å
188I90.7Very high90.6Very high10 Ų1060.5 Ų60.55%0.05133%0.334CS..  trans-9499.1-175-50.3176.6000108.9F142 L177 A181 W195F142-I188 HydrophobicContact CE1-CG2 3.95Å; F142-I188 HydrophobicContact CZ-CG2 3.74Å; L177-I188 HydrophobicContact CD2-CD1 4.19Å; L177-I188 HydrophobicContact CG-CD1 3.93Å; A181-I188 HydrophobicContact CB-CD1 3.69Å; A181-I188 HydrophobicContact CB-CG1 3.45Å; A181-I188 VanDerWaalsContact CB-CG1 3.45Å; I188-W195 HydrophobicContact CB-CB 4.03Å; I188-W195 HydrophobicContact CB-CD2 3.87Å; I188-W195 HydrophobicContact CB-CE3 4.38Å; I188-W195 HydrophobicContact CB-CG 3.63Å; I188-W195 HydrophobicContact CD1-CD2 3.7Å; I188-W195 HydrophobicContact CD1-CE3 3.65Å; I188-W195 HydrophobicContact CD1-CG 4.41Å; I188-W195 HydrophobicContact CD1-CH2 4.14Å; I188-W195 HydrophobicContact CD1-CZ2 4.14Å; I188-W195 HydrophobicContact CD1-CZ3 3.88Å; I188-W195 HydrophobicContact CG1-CD2 4.37Å; I188-W195 HydrophobicContact CG2-CB 3.47Å; I188-W195 VanDerWaalsContact CG2-CB 3.47Å; I188-W195 HydrophobicContact CG2-CD2 3.77Å; I188-W195 HydrophobicContact CG2-CE3 3.94Å; I188-W195 HydrophobicContact CG2-CG 3.54Å
189Q86Confident90.6Very high191 Ų19159.8 Ų59.889%0.89333%0.332SS*.  trans-69.7132-177-65-178.8-22.500112.1D187D187-Q189 PolarHBondContact O-N 3.35Å
190S87.8Confident90.6Very high46 Ų4660.1 Ų60.132%0.32234%0.337SS..  trans-144.9150166.3-172.40000109.1N192 G193S190-N192 PolarHBondContact O-N 3.34Å; S190-N192 PolarHBondContact OG-OD1 2.88Å; S190-G193 PolarHBondContact O-N 3.12Å; S190-G193 VanDerWaalsContact O-N 3.09Å
191S85.6Confident90.7Very high135 Ų13564.7 Ų64.794%0.94437%0.367SS*.THydrogen-bonded Turntrans-63.7-26.1-176.750.20000114.1
192N88Confident90.8Very high84 Ų8472.3 Ų72.345%0.44940%0.404SS..THydrogen-bonded Turntrans-105.51.7175.460.3-13000113.4S190 E194S190-N192 PolarHBondContact O-N 3.34Å; S190-N192 PolarHBondContact OG-OD1 2.88Å; N192-E194 HydrophobicContact CB-CG 4.31Å; N192-E194 WeakPolarHBondContact ND2-CB 3.23Å; N192-E194 PolarHBondContact ND2-OE2 3.38Å; N192-E194 PolarHBondContact O-N 2.99Å; N192-E194 VanDerWaalsContact O-N 3.12Å; N192-E194 PolarHBondContact OD1-N 3.26Å; N192-E194 VanDerWaalsContact OD1-N 3.14Å
193G88.3Confident91Very high47 Ų4767.6 Ų67.649%0.48538%0.383SS..SBendtrans74.5-19.8-169.500000115.4S190 W195S190-G193 PolarHBondContact O-N 3.12Å; S190-G193 VanDerWaalsContact O-N 3.09Å; G193-W195 PolarHBondContact O-N 3.19Å
194E92.1Very high91.5Very high70 Ų7065.7 Ų65.733%0.32738%0.383SS..  trans-80.754.2-177.2-43.3-177.3103.700112.8N192 Y196 H197N192-E194 HydrophobicContact CB-CG 4.31Å; N192-E194 WeakPolarHBondContact ND2-CB 3.23Å; N192-E194 PolarHBondContact ND2-OE2 3.38Å; N192-E194 PolarHBondContact O-N 2.99Å; N192-E194 VanDerWaalsContact O-N 3.12Å; N192-E194 PolarHBondContact OD1-N 3.26Å; N192-E194 VanDerWaalsContact OD1-N 3.14Å; E194-Y196 HydrophobicContact CB-CE1 4.12Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 WeakPolarHBondContact CG-OH 3.34Å; E194-Y196 PolarHBondContact O-N 3.26Å; E194-Y196 PolarHBondContact OE1-OH 2.99Å; E194-H197 WeakPolarHBondContact CB-ND1 3.22Å; E194-H197 WeakPolarHBondContact O-CB 3.17Å; E194-H197 PolarHBondContact O-N 3.1Å; E194-H197 IonicContact OE1-CE1 3.94Å; E194-H197 PolarHBondContact OE1-CE1 3.47Å; E194-H197 IonicContact OE1-ND1 3.31Å; E194-H197 IonicContact OE2-CE1 3.57Å; E194-H197 PolarHBondContact OE2-CE1 3.41Å; E194-H197 VanDerWaalsContact OE2-CE1 3.26Å; E194-H197 IonicContact OE2-ND1 3.85Å; E194-H197 PolarHBondContact OE2-ND1 2.95Å; E194-H197 VanDerWaalsContact OE2-ND1 3.16Å
195W94.8Very high92.1Very high17 Ų1768.2 Ų68.26%0.06439%0.393CS..G310 helixtrans-55.9-23.3-177.164-94.3000113.8A174 L177 Y178 I188 G193 H197 I198 F199 V208A174-W195 HydrophobicContact CB-CH2 4.1Å; A174-W195 HydrophobicContact CB-CZ3 4.04Å; A174-W195 WeakPolarHBondContact O-CH2 3.34Å; L177-W195 HydrophobicContact CD2-CE3 4.35Å; L177-W195 HydrophobicContact CD2-CZ3 4.27Å; Y178-W195 HydrophobicContact CD2-CH2 4.33Å; Y178-W195 AromaticContact CD2-CZ2 3.6Å; Y178-W195 HydrophobicContact CD2-CZ2 3.6Å; Y178-W195 HydrophobicContact CG-CH2 4.4Å; Y178-W195 HydrophobicContact CG-CZ2 4.06Å; I188-W195 HydrophobicContact CB-CB 4.03Å; I188-W195 HydrophobicContact CB-CD2 3.87Å; I188-W195 HydrophobicContact CB-CE3 4.38Å; I188-W195 HydrophobicContact CB-CG 3.63Å; I188-W195 HydrophobicContact CD1-CD2 3.7Å; I188-W195 HydrophobicContact CD1-CE3 3.65Å; I188-W195 HydrophobicContact CD1-CG 4.41Å; I188-W195 HydrophobicContact CD1-CH2 4.14Å; I188-W195 HydrophobicContact CD1-CZ2 4.14Å; I188-W195 HydrophobicContact CD1-CZ3 3.88Å; I188-W195 HydrophobicContact CG1-CD2 4.37Å; I188-W195 HydrophobicContact CG2-CB 3.47Å; I188-W195 VanDerWaalsContact CG2-CB 3.47Å; I188-W195 HydrophobicContact CG2-CD2 3.77Å; I188-W195 HydrophobicContact CG2-CE3 3.94Å; I188-W195 HydrophobicContact CG2-CG 3.54Å; G193-W195 PolarHBondContact O-N 3.19Å; W195-H197 PolarHBondContact O-N 2.76Å; W195-I198 VanDerWaalsContact O-CG1 3.22Å; W195-I198 WeakPolarHBondContact O-CG1 3.18Å; W195-I198 WeakPolarHBondContact O-CG2 3.35Å; W195-I198 PolarHBondContact O-N 3.32Å; W195-F199 HydrophobicContact CZ3-CE2 4.19Å; W195-V208 HydrophobicContact CH2-CG1 3.89Å; W195-V208 HydrophobicContact CZ2-CG1 4.01Å
196Y96.4Very high92.6Very high29 Ų2972.6 Ų72.611%0.11440%0.398CS..G310 helixtrans-67.4-20.5177.346.2-96.2000112.6E194 I198 F199 L203 F205E194-Y196 HydrophobicContact CB-CE1 4.12Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 WeakPolarHBondContact CG-OH 3.34Å; E194-Y196 PolarHBondContact O-N 3.26Å; E194-Y196 PolarHBondContact OE1-OH 2.99Å; Y196-I198 PolarHBondContact O-N 3.23Å; Y196-I198 VanDerWaalsContact O-N 3.1Å; Y196-F199 PolarHBondContact O-N 3.06Å; Y196-L203 HydrophobicContact CD2-CG 4.36Å; Y196-L203 WeakPolarHBondContact CD2-O 3.46Å; Y196-L203 WeakPolarHBondContact CE2-O 3.38Å; Y196-F205 HydrophobicContact CD1-CB 4.3Å; Y196-F205 HydrophobicContact CD1-CD2 4.13Å; Y196-F205 HydrophobicContact CE1-CB 3.71Å; Y196-F205 HydrophobicContact CE1-CD2 4.1Å; Y196-F205 HydrophobicContact CE1-CG 4.35Å
197H96.4Very high93.1Very high56 Ų5674 Ų7426%0.25940%0.401SS..G310 helixtrans-64.8-8.9173.4-70.1165.3000114.1E194 W195 F199 S200 L203E194-H197 WeakPolarHBondContact CB-ND1 3.22Å; E194-H197 WeakPolarHBondContact O-CB 3.17Å; E194-H197 PolarHBondContact O-N 3.1Å; E194-H197 IonicContact OE1-CE1 3.94Å; E194-H197 PolarHBondContact OE1-CE1 3.47Å; E194-H197 IonicContact OE1-ND1 3.31Å; E194-H197 IonicContact OE2-CE1 3.57Å; E194-H197 PolarHBondContact OE2-CE1 3.41Å; E194-H197 VanDerWaalsContact OE2-CE1 3.26Å; E194-H197 IonicContact OE2-ND1 3.85Å; E194-H197 PolarHBondContact OE2-ND1 2.95Å; E194-H197 VanDerWaalsContact OE2-ND1 3.16Å; W195-H197 PolarHBondContact O-N 2.76Å; H197-F199 PolarHBondContact O-N 3.19Å; H197-S200 PolarHBondContact CD2-O 2.74Å; H197-S200 VanDerWaalsContact CD2-O 3.29Å; H197-L203 PolarHBondContact CD2-O 2.69Å; H197-L203 PolarHBondContact NE2-O 3.44Å
198I95.2Very high93.6Very high63 Ų6368.9 Ų68.932%0.32337%0.374SS..G310 helixtrans-66.1-16166.973.6-170.4000113.4A136 F142 L177 W195 Y196A136-I198 HydrophobicContact CB-CD1 4.19Å; A136-I198 HydrophobicContact CB-CG1 4.32Å; F142-I198 HydrophobicContact CE2-CD1 4.16Å; F142-I198 HydrophobicContact CZ-CD1 4.46Å; L177-I198 HydrophobicContact CD2-CD1 4.04Å; W195-I198 VanDerWaalsContact O-CG1 3.22Å; W195-I198 WeakPolarHBondContact O-CG1 3.18Å; W195-I198 WeakPolarHBondContact O-CG2 3.35Å; W195-I198 PolarHBondContact O-N 3.32Å; Y196-I198 PolarHBondContact O-N 3.23Å; Y196-I198 VanDerWaalsContact O-N 3.1Å
199F96.6Very high93.9Very high28 Ų2870.1 Ų70.112%0.12338%0.383CS..THydrogen-bonded Turntrans-99.4-50.1176.9-64.6-80.1000112L133 A136 E170 A173 A174 L177 W195 Y196 H197 L203L133-F199 HydrophobicContact CD1-CZ 4.26Å; A136-F199 HydrophobicContact CB-CD1 4.2Å; A136-F199 HydrophobicContact CB-CE1 3.44Å; A136-F199 VanDerWaalsContact CB-CE1 3.44Å; A136-F199 HydrophobicContact CB-CE2 4.39Å; A136-F199 HydrophobicContact CB-CZ 3.56Å; E170-F199 HydrophobicContact CB-CB 4.04Å; A173-F199 HydrophobicContact CB-CD1 3.67Å; A173-F199 HydrophobicContact CB-CE1 3.47Å; A173-F199 VanDerWaalsContact CB-CE1 3.47Å; A173-F199 HydrophobicContact CB-CZ 4.23Å; A174-F199 HydrophobicContact CB-CD2 3.55Å; A174-F199 HydrophobicContact CB-CE2 3.88Å; A174-F199 HydrophobicContact CB-CG 4.15Å; L177-F199 HydrophobicContact CB-CE2 4.49Å; L177-F199 HydrophobicContact CB-CZ 4.34Å; L177-F199 HydrophobicContact CD2-CE2 3.87Å; L177-F199 HydrophobicContact CD2-CZ 3.96Å; W195-F199 HydrophobicContact CZ3-CE2 4.19Å; Y196-F199 PolarHBondContact O-N 3.06Å; H197-F199 PolarHBondContact O-N 3.19Å; F199-L203 HydrophobicContact CB-CD2 4.25Å
200S95.1Very high94.4Very high32 Ų3266.7 Ų66.722%0.22437%0.365CS..  trans-152.7134.9174.1171.30000110.7H197 M202 L203H197-S200 PolarHBondContact CD2-O 2.74Å; H197-S200 VanDerWaalsContact CD2-O 3.29Å; S200-M202 PolarHBondContact O-N 3.41Å; S200-M202 VanDerWaalsContact O-N 3.1Å; S200-M202 PolarHBondContact OG-N 2.77Å; S200-L203 WeakPolarHBondContact O-CB 3.13Å; S200-L203 PolarHBondContact O-N 2.82Å
201P95.2Very high94.9Very high96 Ų9664.5 Ų64.562%0.62335%0.35SS*.THydrogen-bonded Turntrans-65.5-4.5173.5-21.533.8000115.6
202M95.2Very high95.4Very high161 Ų16158.8 Ų58.879%0.79331%0.309SS*.THydrogen-bonded Turntrans-109-3.9179.1-55.2-78.188.400112.8S200S200-M202 PolarHBondContact O-N 3.41Å; S200-M202 VanDerWaalsContact O-N 3.1Å; S200-M202 PolarHBondContact OG-N 2.77Å
203L96.7Very high95.8Very high3 Ų358.8 Ų58.82%0.01631%0.31CS..  trans-76.1134.2-179.1173.159.2000110.1A171 A174 Y196 H197 F199 S200 E207 V208A171-L203 HydrophobicContact CB-CD1 3.59Å; A174-L203 HydrophobicContact CB-CD2 3.56Å; Y196-L203 HydrophobicContact CD2-CG 4.36Å; Y196-L203 WeakPolarHBondContact CD2-O 3.46Å; Y196-L203 WeakPolarHBondContact CE2-O 3.38Å; H197-L203 PolarHBondContact CD2-O 2.69Å; H197-L203 PolarHBondContact NE2-O 3.44Å; F199-L203 HydrophobicContact CB-CD2 4.25Å; S200-L203 WeakPolarHBondContact O-CB 3.13Å; S200-L203 PolarHBondContact O-N 2.82Å; L203-E207 HydrophobicContact CD1-CB 4.01Å; L203-E207 VanDerWaalsContact CD1-OE2 3.29Å; L203-E207 WeakPolarHBondContact CD1-OE2 3.35Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å; L203-V208 HydrophobicContact CD2-CG2 4.13Å; L203-V208 HydrophobicContact CG-CG2 4.15Å
204T96.9Very high96.2Very high65 Ų6559.1 Ų59.140%0.39930%0.298SS..  trans-102.6157.7177.674.70000112.3E206 E207 V208T204-E206 PolarHBondContact O-N 2.87Å; T204-E206 PolarHBondContact OG1-N 2.94Å; T204-E207 PolarHBondContact O-N 3.37Å; T204-E207 PolarHBondContact OG1-N 2.81Å; T204-V208 PolarHBondContact O-N 3.38Å
205F96.5Very high96.3Very high83 Ų8356 Ų5636%0.36428%0.284SS..Hα-helixtrans-64.3-28.2171.7-171.3-104.9000113Y178 Y196 V208 S209Y178-F205 HydrophobicContact CD2-CE2 4.25Å; Y178-F205 AromaticContact CE2-CE2 3.73Å; Y178-F205 HydrophobicContact CE2-CE2 3.73Å; Y178-F205 AromaticContact CE2-CZ 3.96Å; Y178-F205 HydrophobicContact CE2-CZ 3.96Å; Y178-F205 AromaticContact CZ-CE2 4Å; Y178-F205 AromaticContact CZ-CZ 3.79Å; Y196-F205 HydrophobicContact CD1-CB 4.3Å; Y196-F205 HydrophobicContact CD1-CD2 4.13Å; Y196-F205 HydrophobicContact CE1-CB 3.71Å; Y196-F205 HydrophobicContact CE1-CD2 4.1Å; Y196-F205 HydrophobicContact CE1-CG 4.35Å; F205-V208 PolarHBondContact O-N 3.03Å; F205-S209 PolarHBondContact O-N 2.86Å
206E97Very high96.1Very high150 Ų15057.7 Ų57.770%0.70130%0.296SS*.Hα-helixtrans-62.8-44.4176.8-170.4-172154.500111.5T204 V208 S209 K210T204-E206 PolarHBondContact O-N 2.87Å; T204-E206 PolarHBondContact OG1-N 2.94Å; E206-V208 VanDerWaalsContact C-N 3.34Å; E206-V208 PolarHBondContact O-N 3.13Å; E206-S209 PolarHBondContact O-N 3.24Å; E206-K210 VanDerWaalsContact O-CB 3.3Å; E206-K210 WeakPolarHBondContact O-CB 3.34Å; E206-K210 PolarHBondContact O-N 3.48Å
207E97.2Very high95.8Very high81 Ų8161.6 Ų61.638%0.37932%0.318SS..Hα-helixtrans-61.9-42.4174.7-68.7-172.6154.700111.6L203 T204 K210 I211L203-E207 HydrophobicContact CD1-CB 4.01Å; L203-E207 VanDerWaalsContact CD1-OE2 3.29Å; L203-E207 WeakPolarHBondContact CD1-OE2 3.35Å; T204-E207 PolarHBondContact O-N 3.37Å; T204-E207 PolarHBondContact OG1-N 2.81Å; E207-K210 PolarHBondContact O-N 3.02Å; E207-I211 WeakPolarHBondContact O-CD1 3.44Å; E207-I211 VanDerWaalsContact O-CG1 3.22Å; E207-I211 WeakPolarHBondContact O-CG1 3.24Å; E207-I211 PolarHBondContact O-N 2.95Å
208V97.8Very high95.4Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-63.5-41.8177.6175.70000111.8A174 A175 Y178 W195 L203 T204 F205 E206 T212A174-V208 HydrophobicContact CB-CG2 3.86Å; A175-V208 HydrophobicContact CB-CG1 4.43Å; Y178-V208 HydrophobicContact CD1-CG1 4.29Å; Y178-V208 HydrophobicContact CG-CG1 4.1Å; W195-V208 HydrophobicContact CH2-CG1 3.89Å; W195-V208 HydrophobicContact CZ2-CG1 4.01Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å; L203-V208 HydrophobicContact CD2-CG2 4.13Å; L203-V208 HydrophobicContact CG-CG2 4.15Å; T204-V208 PolarHBondContact O-N 3.38Å; F205-V208 PolarHBondContact O-N 3.03Å; E206-V208 VanDerWaalsContact C-N 3.34Å; E206-V208 PolarHBondContact O-N 3.13Å; V208-T212 WeakPolarHBondContact O-CB 3.5Å; V208-T212 PolarHBondContact O-N 3.02Å; V208-T212 VanDerWaalsContact O-N 3.13Å; V208-T212 PolarHBondContact O-OG1 3.12Å
209S97.1Very high94.8Very high36 Ų3657.9 Ų57.925%0.25230%0.301SS..Hα-helixtrans-65.1-50.8174.9-162.50000110.6F205 E206 I211 T212 D213F205-S209 PolarHBondContact O-N 2.86Å; E206-S209 PolarHBondContact O-N 3.24Å; S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 2.96Å; S209-T212 CarbonylContact O-C 3.44Å; S209-T212 VanDerWaalsContact O-CA 3.31Å; S209-T212 WeakPolarHBondContact O-CA 3.35Å; S209-T212 VanDerWaalsContact O-CB 3.23Å; S209-T212 WeakPolarHBondContact O-CB 3.31Å; S209-T212 PolarHBondContact O-N 3.11Å; S209-D213 VanDerWaalsContact C-OD2 3.31Å; S209-D213 VanDerWaalsContact O-CG 3.26Å; S209-D213 PolarHBondContact O-N 2.87Å; S209-D213 PolarHBondContact OG-OD2 2.94Å
210K97.3Very high94.1Very high118 Ų11861.9 Ų61.951%0.51332%0.32SS..Hα-helixtrans-54.5-43.2-178.7-178.9174.3177.7177.60113.2E206 E207 E214E206-K210 VanDerWaalsContact O-CB 3.3Å; E206-K210 WeakPolarHBondContact O-CB 3.34Å; E206-K210 PolarHBondContact O-N 3.48Å; E207-K210 PolarHBondContact O-N 3.02Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 3.43Å; K210-E214 VanDerWaalsContact O-N 3.11Å
211I97.9Very high93.3Very high0 Ų067.6 Ų67.60%034%0.343CS..Hα-helixtrans-65.5-40.7174.2-64.4166.1000110.8L163 H167 A171 I172 A175 E207 S209 F215L163-I211 HydrophobicContact CD1-CG2 4.05Å; L163-I211 HydrophobicContact CD2-CG1 4.38Å; L163-I211 HydrophobicContact CD2-CG2 4.41Å; H167-I211 HydrophobicContact CB-CD1 3.75Å; H167-I211 HydrophobicContact CB-CG1 4.19Å; A171-I211 HydrophobicContact CB-CD1 3.5Å; A171-I211 VanDerWaalsContact CB-CD1 3.5Å; I172-I211 HydrophobicContact CG1-CD1 4.37Å; A175-I211 HydrophobicContact CB-CB 3.81Å; A175-I211 HydrophobicContact CB-CG2 3.42Å; A175-I211 VanDerWaalsContact CB-CG2 3.42Å; E207-I211 WeakPolarHBondContact O-CD1 3.44Å; E207-I211 VanDerWaalsContact O-CG1 3.22Å; E207-I211 WeakPolarHBondContact O-CG1 3.24Å; E207-I211 PolarHBondContact O-N 2.95Å; S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 2.96Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.16Å; I211-F215 PolarHBondContact O-N 2.89Å
212T96.7Very high92.1Very high15 Ų1563.5 Ų63.59%0.09232%0.316CS..Hα-helixtrans-64.1-44.3178.4-63.30000112.2Y178 I179 V208 S209 T216Y178-T212 HydrophobicContact CD1-CG2 4.08Å; Y178-T212 HydrophobicContact CE1-CG2 4.17Å; I179-T212 HydrophobicContact CD1-CG2 4.34Å; I179-T212 HydrophobicContact CG1-CG2 3.71Å; V208-T212 WeakPolarHBondContact O-CB 3.5Å; V208-T212 PolarHBondContact O-N 3.02Å; V208-T212 VanDerWaalsContact O-N 3.13Å; V208-T212 PolarHBondContact O-OG1 3.12Å; S209-T212 CarbonylContact O-C 3.44Å; S209-T212 VanDerWaalsContact O-CA 3.31Å; S209-T212 WeakPolarHBondContact O-CA 3.35Å; S209-T212 VanDerWaalsContact O-CB 3.23Å; S209-T212 WeakPolarHBondContact O-CB 3.31Å; S209-T212 PolarHBondContact O-N 3.11Å; T212-T216 WeakPolarHBondContact O-CB 3.46Å; T212-T216 PolarHBondContact O-N 3.04Å; T212-T216 PolarHBondContact O-OG1 3.05Å
213D96.3Very high90.7Very high85 Ų8558.9 Ų58.946%0.45530%0.295SS..Hα-helixtrans-69.4-46.5-177.9-63.1-44.8000110.7S209 T216 L217S209-D213 VanDerWaalsContact C-OD2 3.31Å; S209-D213 VanDerWaalsContact O-CG 3.26Å; S209-D213 PolarHBondContact O-N 2.87Å; S209-D213 PolarHBondContact OG-OD2 2.94Å; D213-T216 PolarHBondContact O-N 3.31Å; D213-L217 WeakPolarHBondContact O-CG 3.47Å; D213-L217 PolarHBondContact O-N 3.24Å
214E95.1Very high89Confident53 Ų5364.1 Ų64.125%0.24832%0.322CS..Hα-helixtrans-64.8-42177.5-162.9-166.3116.400112.7L163 R166 K210 L217 T218L163-E214 HydrophobicContact CD2-CB 4.28Å; L163-E214 HydrophobicContact CD2-CG 4.44Å; L163-E214 WeakPolarHBondContact CD2-OE1 3.46Å; R166-E214 IonicContact CZ-OE1 2.64Å; R166-E214 IonicContact CZ-OE2 3.71Å; R166-E214 IonicContact NH1-OE1 2.72Å; R166-E214 IonicContact NH1-OE2 3.55Å; R166-E214 PolarHBondContact NH1-OE2 3.28Å; R166-E214 IonicContact NH2-OE1 2.68Å; R166-E214 PolarHBondContact NH2-OE1 3.34Å; R166-E214 IonicContact NH2-OE2 2.69Å; R166-E214 PolarHBondContact NH2-OE2 3.32Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 3.43Å; K210-E214 VanDerWaalsContact O-N 3.11Å; E214-L217 PolarHBondContact O-N 2.91Å; E214-T218 WeakPolarHBondContact O-CB 3.48Å; E214-T218 PolarHBondContact O-N 3.1Å; E214-T218 PolarHBondContact O-OG1 3.39Å
215F94.4Very high87.2Confident5 Ų568.7 Ų68.72%0.02234%0.337CS..Hα-helixtrans-62.5-43.1172.9173.5-104.7000111.5V153 N156 I157 T161 L163 I179 I211 L217 T218 F219V153-F215 HydrophobicContact CG1-CE1 4.03Å; V153-F215 HydrophobicContact CG1-CZ 4.34Å; N156-F215 HydrophobicContact CB-CE2 3.96Å; N156-F215 HydrophobicContact CB-CZ 3.95Å; I157-F215 HydrophobicContact CB-CD2 4.33Å; I157-F215 HydrophobicContact CD1-CG 4.48Å; I157-F215 HydrophobicContact CG1-CB 4.3Å; I157-F215 HydrophobicContact CG1-CD1 4.45Å; I157-F215 HydrophobicContact CG1-CD2 3.42Å; I157-F215 VanDerWaalsContact CG1-CD2 3.42Å; I157-F215 HydrophobicContact CG1-CE2 3.79Å; I157-F215 HydrophobicContact CG1-CG 3.79Å; I157-F215 HydrophobicContact CG1-CZ 4.44Å; T161-F215 HydrophobicContact CG2-CD2 3.91Å; L163-F215 HydrophobicContact CD1-CB 4.08Å; I179-F215 HydrophobicContact CD1-CD1 3.72Å; I179-F215 HydrophobicContact CD1-CE1 4.29Å; I179-F215 HydrophobicContact CD1-CG 4.47Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.16Å; I211-F215 PolarHBondContact O-N 2.89Å; F215-L217 PolarHBondContact O-N 3.38Å; F215-T218 PolarHBondContact O-N 3.24Å; F215-F219 HydrophobicContact CZ-CB 4.38Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.42Å; F215-F219 PolarHBondContact O-N 3.15Å
216T91Very high85.5Confident52 Ų5267.1 Ų67.132%0.31933%0.331SS..Hα-helixtrans-63.8-40.3-179.4-64.90000111.7T212 D213 Q220T212-T216 WeakPolarHBondContact O-CB 3.46Å; T212-T216 PolarHBondContact O-N 3.04Å; T212-T216 PolarHBondContact O-OG1 3.05Å; D213-T216 PolarHBondContact O-N 3.31Å; T216-Q220 VanDerWaalsContact O-CG 3.27Å; T216-Q220 WeakPolarHBondContact O-CG 3.25Å; T216-Q220 PolarHBondContact O-N 3.23Å; T216-Q220 VanDerWaalsContact O-N 3.13Å
217L90.8Very high83.9Confident111 Ų11163.7 Ų63.758%0.58131%0.312SS*.Hα-helixtrans-63.4-52.6172.8-70.8169.2000111.4D213 E214 F215 F219 Q220 E221D213-L217 WeakPolarHBondContact O-CG 3.47Å; D213-L217 PolarHBondContact O-N 3.24Å; E214-L217 PolarHBondContact O-N 2.91Å; F215-L217 PolarHBondContact O-N 3.38Å; L217-F219 VanDerWaalsContact C-N 3.29Å; L217-F219 PolarHBondContact O-N 3.44Å; L217-Q220 WeakPolarHBondContact O-CA 3.45Å; L217-Q220 WeakPolarHBondContact O-CB 3.46Å; L217-Q220 PolarHBondContact O-N 3.47Å; L217-E221 PolarHBondContact O-N 2.83Å; L217-E221 VanDerWaalsContact O-N 3.15Å
218T87.6Confident82.3Confident17 Ų1763.5 Ų63.510%0.10431%0.311CS..Hα-helixtrans-59.9-40.5-178.6-53.90000111.6L12 L160 T161 E214 F215 Q220 E221 C222L12-T218 HydrophobicContact CD2-CG2 4.26Å; L160-T218 WeakPolarHBondContact O-CG2 3.46Å; T161-T218 HydrophobicContact CG2-CG2 4.13Å; E214-T218 WeakPolarHBondContact O-CB 3.48Å; E214-T218 PolarHBondContact O-N 3.1Å; E214-T218 PolarHBondContact O-OG1 3.39Å; F215-T218 PolarHBondContact O-N 3.24Å; T218-Q220 VanDerWaalsContact C-N 3.33Å; T218-Q220 PolarHBondContact O-N 3.14Å; T218-E221 PolarHBondContact O-N 3.02Å; T218-E221 VanDerWaalsContact O-N 3.14Å; T218-C222 PolarHBondContact O-N 2.89Å; T218-C222 VanDerWaalsContact O-N 3.13Å; T218-C222 PolarHBondContact O-SG 3.4Å
219F83.3Confident80.6Confident24 Ų2468.5 Ų68.511%0.10534%0.335CS..Hα-helixtrans-66.8-30.1176.2175.8-105.1000113.4L160 F215 L217 E221 R227 L230L160-F219 HydrophobicContact CD1-CD2 4.29Å; F215-F219 HydrophobicContact CZ-CB 4.38Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.42Å; F215-F219 PolarHBondContact O-N 3.15Å; L217-F219 VanDerWaalsContact C-N 3.29Å; L217-F219 PolarHBondContact O-N 3.44Å; F219-E221 VanDerWaalsContact C-N 3.32Å; F219-R227 HydrophobicContact CE1-CG 3.95Å; F219-R227 HydrophobicContact CE2-CB 4.46Å; F219-R227 HydrophobicContact CE2-CG 4.26Å; F219-R227 HydrophobicContact CZ-CB 4.21Å; F219-R227 HydrophobicContact CZ-CG 3.63Å; F219-L230 HydrophobicContact CD1-CD2 4.31Å; F219-L230 HydrophobicContact CD2-CD2 4.02Å; F219-L230 HydrophobicContact CE1-CD2 3.79Å; F219-L230 HydrophobicContact CE2-CB 3.55Å; F219-L230 HydrophobicContact CE2-CD1 4.39Å; F219-L230 HydrophobicContact CE2-CD2 3.46Å; F219-L230 VanDerWaalsContact CE2-CD2 3.46Å; F219-L230 HydrophobicContact CE2-CG 3.97Å; F219-L230 HydrophobicContact CG-CD2 4.43Å; F219-L230 HydrophobicContact CZ-CB 3.61Å; F219-L230 HydrophobicContact CZ-CD2 3.34Å; F219-L230 HydrophobicContact CZ-CG 4.05Å
220Q80.5Confident79Confident113 Ų11367 Ų6753%0.52832%0.324SS..Hα-helixtrans-73.9-20.6171.9-74.1177.141.400113.4T216 L217 T218 R227T216-Q220 VanDerWaalsContact O-CG 3.27Å; T216-Q220 WeakPolarHBondContact O-CG 3.25Å; T216-Q220 PolarHBondContact O-N 3.23Å; T216-Q220 VanDerWaalsContact O-N 3.13Å; L217-Q220 WeakPolarHBondContact O-CA 3.45Å; L217-Q220 WeakPolarHBondContact O-CB 3.46Å; L217-Q220 PolarHBondContact O-N 3.47Å; T218-Q220 VanDerWaalsContact C-N 3.33Å; T218-Q220 PolarHBondContact O-N 3.14Å; Q220-R227 PolarHBondContact O-NH1 3.09Å; Q220-R227 VanDerWaalsContact O-NH1 3.15Å; Q220-R227 PolarHBondContact O-NH2 2.85Å
221E78.8Confident77.6Confident152 Ų15266 Ų6671%0.7132%0.317SS*.Hα-helixtrans-83.8-32.2173.4-66.2-174.616600112.5L217 T218 F219L217-E221 PolarHBondContact O-N 2.83Å; L217-E221 VanDerWaalsContact O-N 3.15Å; T218-E221 PolarHBondContact O-N 3.02Å; T218-E221 VanDerWaalsContact O-N 3.14Å; F219-E221 VanDerWaalsContact C-N 3.32Å
222C71.2Confident76Confident9 Ų969.2 Ų69.26%0.06134%0.339CS..SBendtrans-56147.7179.8-69.30000114.2T218 I226 R227T218-C222 PolarHBondContact O-N 2.89Å; T218-C222 VanDerWaalsContact O-N 3.13Å; T218-C222 PolarHBondContact O-SG 3.4Å; C222-I226 HydrophobicContact CB-CB 4.39Å; C222-I226 HydrophobicContact CB-CD1 4.45Å; C222-I226 HydrophobicContact CB-CG2 4.37Å; C222-R227 PolarHBondContact O-NE 3.33Å; C222-R227 PolarHBondContact O-NH2 3.42Å
223D64.2Low74.4Confident64 Ų6470.2 Ų70.234%0.34235%0.346SS..  trans-55.2147.3-177-171.724.3000112.6K225 I226 R227 K460D223-K225 PolarHBondContact O-N 3.5Å; D223-I226 PolarHBondContact O-N 3.05Å; D223-R227 PolarHBondContact O-N 3.39Å; D223-K460 IonicContact OD1-NZ 2.74Å; D223-K460 PolarHBondContact OD1-NZ 3.07Å; D223-K460 IonicContact OD2-NZ 2.94Å; D223-K460 PolarHBondContact OD2-NZ 2.81Å
224L61.5Low72.8Confident114 Ų11466.4 Ų66.460%0.59733%0.326SS*.Hα-helixtrans-53.1-25.8-176.8-63.5175.8000113.3E228L224-E228 WeakPolarHBondContact O-CB 3.47Å; L224-E228 PolarHBondContact O-N 3.42Å
225K58.2Low71.3Confident160 Ų16070.2 Ų70.270%0.69634%0.338SS*.Hα-helixtrans-66.2-49.2173.3-71.8-177.3176.5179.60112.8D223 R227 Q229D223-K225 PolarHBondContact O-N 3.5Å; K225-R227 VanDerWaalsContact C-N 3.31Å; K225-Q229 WeakPolarHBondContact O-CB 3.48Å; K225-Q229 WeakPolarHBondContact O-CG 3.36Å; K225-Q229 PolarHBondContact O-N 2.92Å
226I60.9Low69.5Low50 Ų5073.3 Ų73.326%0.25636%0.36SS..Hα-helixtrans-64.4-44.4175.9-60.3173.7000108.7L160 C222 D223 E228 Q229 L230L160-I226 HydrophobicContact CD1-CG2 4.06Å; L160-I226 HydrophobicContact CD2-CD1 4.27Å; L160-I226 HydrophobicContact CD2-CG2 4.28Å; C222-I226 HydrophobicContact CB-CB 4.39Å; C222-I226 HydrophobicContact CB-CD1 4.45Å; C222-I226 HydrophobicContact CB-CG2 4.37Å; D223-I226 PolarHBondContact O-N 3.05Å; I226-E228 PolarHBondContact O-N 3.37Å; I226-Q229 PolarHBondContact O-N 3.41Å; I226-L230 PolarHBondContact O-N 3.03Å
227R63.9Low67.8Low78 Ų7873.8 Ų73.829%0.29436%0.356SS..Hα-helixtrans-59.3-46.9179.6-152.9-176.2-52.6-166.42.2112.4F219 Q220 C222 D223 K225 R231F219-R227 HydrophobicContact CE1-CG 3.95Å; F219-R227 HydrophobicContact CE2-CB 4.46Å; F219-R227 HydrophobicContact CE2-CG 4.26Å; F219-R227 HydrophobicContact CZ-CB 4.21Å; F219-R227 HydrophobicContact CZ-CG 3.63Å; Q220-R227 PolarHBondContact O-NH1 3.09Å; Q220-R227 VanDerWaalsContact O-NH1 3.15Å; Q220-R227 PolarHBondContact O-NH2 2.85Å; C222-R227 PolarHBondContact O-NE 3.33Å; C222-R227 PolarHBondContact O-NH2 3.42Å; D223-R227 PolarHBondContact O-N 3.39Å; K225-R227 VanDerWaalsContact C-N 3.31Å; R227-R231 WeakPolarHBondContact O-CB 3.35Å; R227-R231 PolarHBondContact O-N 3.37Å
228E64Low66.3Low77 Ų7774 Ų7436%0.3635%0.352SS..Hα-helixtrans-80-25-179.7-15762-137.300112.9L224 I226 R231 C232L224-E228 WeakPolarHBondContact O-CB 3.47Å; L224-E228 PolarHBondContact O-N 3.42Å; I226-E228 PolarHBondContact O-N 3.37Å; E228-R231 IonicContact OE1-NE 3.59Å; E228-R231 PolarHBondContact OE1-NE 3.39Å; E228-R231 VanDerWaalsContact OE1-NE 3.1Å; E228-R231 WeakPolarHBondContact OE2-CD 3.22Å; E228-R231 IonicContact OE2-CZ 3.37Å; E228-R231 IonicContact OE2-NE 2.73Å; E228-R231 PolarHBondContact OE2-NE 2.92Å; E228-R231 IonicContact OE2-NH2 3.5Å; E228-C232 WeakPolarHBondContact O-CB 3.37Å; E228-C232 PolarHBondContact O-N 3.22Å; E228-C232 PolarHBondContact O-SG 3.03Å; E228-C232 VanDerWaalsContact O-SG 3.35Å
229Q62.3Low64.9Low106 Ų10678.7 Ų78.750%0.49538%0.376SS..Hα-helixtrans-63.1-49.6166.7-81.4-178.4-9.100111.1K225 I226 C232 S233K225-Q229 WeakPolarHBondContact O-CB 3.48Å; K225-Q229 WeakPolarHBondContact O-CG 3.36Å; K225-Q229 PolarHBondContact O-N 2.92Å; I226-Q229 PolarHBondContact O-N 3.41Å; Q229-C232 PolarHBondContact O-N 2.82Å; Q229-S233 WeakPolarHBondContact O-CB 3.26Å; Q229-S233 PolarHBondContact O-N 3.29Å; Q229-S233 VanDerWaalsContact O-N 3.09Å
230L63.6Low63.8Low5 Ų583.6 Ų83.63%0.02640%0.4CS..Hα-helixtrans-61.1-52.4176.7-158.6103000109.7Y152 N156 F219 I226 C232 S233 L234Y152-L230 HydrophobicContact CD1-CD1 4Å; Y152-L230 HydrophobicContact CD1-CG 4.48Å; Y152-L230 HydrophobicContact CE1-CB 4.29Å; Y152-L230 HydrophobicContact CE1-CD1 3.42Å; Y152-L230 VanDerWaalsContact CE1-CD1 3.42Å; Y152-L230 HydrophobicContact CE1-CG 3.77Å; Y152-L230 WeakPolarHBondContact OH-CA 3.24Å; N156-L230 HydrophobicContact CB-CD1 4.1Å; N156-L230 WeakPolarHBondContact ND2-CD1 3.22Å; F219-L230 HydrophobicContact CD1-CD2 4.31Å; F219-L230 HydrophobicContact CD2-CD2 4.02Å; F219-L230 HydrophobicContact CE1-CD2 3.79Å; F219-L230 HydrophobicContact CE2-CB 3.55Å; F219-L230 HydrophobicContact CE2-CD1 4.39Å; F219-L230 HydrophobicContact CE2-CD2 3.46Å; F219-L230 VanDerWaalsContact CE2-CD2 3.46Å; F219-L230 HydrophobicContact CE2-CG 3.97Å; F219-L230 HydrophobicContact CG-CD2 4.43Å; F219-L230 HydrophobicContact CZ-CB 3.61Å; F219-L230 HydrophobicContact CZ-CD2 3.34Å; F219-L230 HydrophobicContact CZ-CG 4.05Å; I226-L230 PolarHBondContact O-N 3.03Å; L230-C232 PolarHBondContact O-N 2.69Å; L230-S233 WeakPolarHBondContact O-CB 3.04Å; L230-S233 PolarHBondContact O-N 3.06Å; L230-L234 HydrophobicContact CB-CD1 4.5Å; L230-L234 HydrophobicContact CD2-CD1 3.47Å; L230-L234 VanDerWaalsContact CD2-CD1 3.47Å; L230-L234 HydrophobicContact CG-CD1 3.72Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 VanDerWaalsContact O-CB 3.23Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 WeakPolarHBondContact O-CD1 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.07Å
231R68.2Low62.7Low95 Ų9583.2 Ų83.236%0.35839%0.393SS..Hα-helixtrans-63.2-30.8-179.1176.1174.2135.9130.9-7.4113.9R227 E228 R235R227-R231 WeakPolarHBondContact O-CB 3.35Å; R227-R231 PolarHBondContact O-N 3.37Å; E228-R231 IonicContact OE1-NE 3.59Å; E228-R231 PolarHBondContact OE1-NE 3.39Å; E228-R231 VanDerWaalsContact OE1-NE 3.1Å; E228-R231 WeakPolarHBondContact OE2-CD 3.22Å; E228-R231 IonicContact OE2-CZ 3.37Å; E228-R231 IonicContact OE2-NE 2.73Å; E228-R231 PolarHBondContact OE2-NE 2.92Å; E228-R231 IonicContact OE2-NH2 3.5Å; R231-R235 HydrophobicContact CG-CG 4Å; R231-R235 WeakPolarHBondContact O-CA 3.34Å; R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 VanDerWaalsContact O-CG 3.31Å; R231-R235 WeakPolarHBondContact O-CG 3.11Å; R231-R235 PolarHBondContact O-N 3.48Å
232C64.6Low61.9Low68 Ų6879.1 Ų79.146%0.45937%0.374SS..Hα-helixtrans-70.5-47.9171.1-85.40000111.8E228 Q229 L230 L234 R235 S236E228-C232 WeakPolarHBondContact O-CB 3.37Å; E228-C232 PolarHBondContact O-N 3.22Å; E228-C232 PolarHBondContact O-SG 3.03Å; E228-C232 VanDerWaalsContact O-SG 3.35Å; Q229-C232 PolarHBondContact O-N 2.82Å; L230-C232 PolarHBondContact O-N 2.69Å; C232-L234 PolarHBondContact O-N 3.01Å; C232-L234 VanDerWaalsContact O-N 3.14Å; C232-R235 PolarHBondContact O-N 2.89Å; C232-S236 WeakPolarHBondContact O-CB 3.28Å; C232-S236 PolarHBondContact O-N 2.79Å
233S62Low61.4Low36 Ų3687.4 Ų87.425%0.25240%0.404SS..Hα-helixtrans-55-31.5174.5-178.20000112Q229 L230 R237Q229-S233 WeakPolarHBondContact O-CB 3.26Å; Q229-S233 PolarHBondContact O-N 3.29Å; Q229-S233 VanDerWaalsContact O-N 3.09Å; L230-S233 WeakPolarHBondContact O-CB 3.04Å; L230-S233 PolarHBondContact O-N 3.06Å; S233-R237 PolarHBondContact O-NE 3.06Å; S233-R237 PolarHBondContact O-NH2 3.33Å; S233-R237 PolarHBondContact OG-NH2 3.38Å
234L63.3Low61.2Low6 Ų693.7 Ų93.73%0.03142%0.423CS..Hα-helixtrans-91.2-36.5-179.1-72.9174.1000115.2T149 W183 L230 C232T149-L234 HydrophobicContact CG2-CD2 3.46Å; T149-L234 VanDerWaalsContact CG2-CD2 3.46Å; W183-L234 HydrophobicContact CD2-CB 4.32Å; W183-L234 HydrophobicContact CD2-CD1 3.97Å; W183-L234 HydrophobicContact CD2-CD2 4.1Å; W183-L234 HydrophobicContact CD2-CG 4.37Å; W183-L234 HydrophobicContact CE3-CD1 4Å; W183-L234 HydrophobicContact CG-CD2 4.01Å; W183-L234 HydrophobicContact CH2-CB 4.36Å; W183-L234 HydrophobicContact CH2-CD1 3.92Å; W183-L234 HydrophobicContact CZ2-CB 3.56Å; W183-L234 HydrophobicContact CZ2-CD1 3.9Å; W183-L234 HydrophobicContact CZ2-CG 4.29Å; W183-L234 HydrophobicContact CZ3-CD1 3.97Å; W183-L234 PolarHBondContact NE1-O 3.2Å; L230-L234 HydrophobicContact CB-CD1 4.5Å; L230-L234 HydrophobicContact CD2-CD1 3.47Å; L230-L234 VanDerWaalsContact CD2-CD1 3.47Å; L230-L234 HydrophobicContact CG-CD1 3.72Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 VanDerWaalsContact O-CB 3.23Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 WeakPolarHBondContact O-CD1 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.07Å; C232-L234 PolarHBondContact O-N 3.01Å; C232-L234 VanDerWaalsContact O-N 3.14Å
235R63.6Low61.2Low132 Ų13292.2 Ų92.250%0.49841%0.413SS..Hα-helixtrans-83-36.6-179-82.3-172.5159.6-142.7-8.7113.3R231 C232 R237 K238 L239R231-R235 HydrophobicContact CG-CG 4Å; R231-R235 WeakPolarHBondContact O-CA 3.34Å; R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 VanDerWaalsContact O-CG 3.31Å; R231-R235 WeakPolarHBondContact O-CG 3.11Å; R231-R235 PolarHBondContact O-N 3.48Å; C232-R235 PolarHBondContact O-N 2.89Å; R235-R237 PolarHBondContact O-N 2.84Å; R235-K238 PolarHBondContact O-N 3.13Å; R235-L239 PolarHBondContact O-N 3.06Å
236S56.6Low61.5Low70 Ų7089.6 Ų89.649%0.4941%0.407SS..Hα-helixtrans-55.6-28.9-180-174.40000111.9C232 Q240C232-S236 WeakPolarHBondContact O-CB 3.28Å; C232-S236 PolarHBondContact O-N 2.79Å; S236-Q240 WeakPolarHBondContact O-CG 3.29Å
237R55.1Low61.7Low63 Ų6392 Ų9224%0.23842%0.42CS..Hα-helixtrans-84.7-30.5175.2-73.7177.5-97.2-151.2-3.5114.6S233 R235 Q240 R241S233-R237 PolarHBondContact O-NE 3.06Å; S233-R237 PolarHBondContact O-NH2 3.33Å; S233-R237 PolarHBondContact OG-NH2 3.38Å; R235-R237 PolarHBondContact O-N 2.84Å; R237-Q240 PolarHBondContact O-N 3.06Å; R237-R241 PolarHBondContact O-N 3.15Å; R237-R241 VanDerWaalsContact O-N 3.14Å
238K58.6Low61.8Low115 Ų11593.7 Ų93.750%0.544%0.439SS..Hα-helixtrans-64-43.8176.4-159.4-170.1-174.9-124.50111.4R235 Q240 R241 E242R235-K238 PolarHBondContact O-N 3.13Å; K238-Q240 PolarHBondContact O-N 3.07Å; K238-R241 WeakPolarHBondContact O-CA 3.49Å; K238-R241 WeakPolarHBondContact O-CB 3.45Å; K238-R241 PolarHBondContact O-N 3.43Å; K238-E242 WeakPolarHBondContact CD-OE1 3.46Å; K238-E242 VanDerWaalsContact CE-OE1 3.27Å; K238-E242 WeakPolarHBondContact CE-OE1 3.46Å; K238-E242 HydrophobicContact CG-CG 4.48Å; K238-E242 IonicContact NZ-OE1 2.66Å; K238-E242 PolarHBondContact NZ-OE1 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.45Å; K238-E242 PolarHBondContact O-N 3.14Å
239L59.1Low61.9Low116 Ų11695.9 Ų95.961%0.60745%0.452SS*.Hα-helixtrans-61.3-28.1175.2-77.1164000113.6R235 R243R235-L239 PolarHBondContact O-N 3.06Å; L239-R243 WeakPolarHBondContact O-CB 3.36Å; L239-R243 PolarHBondContact O-N 3.31Å
240Q59.1Low61.8Low127 Ų12797 Ų9759%0.59346%0.462SS*.Hα-helixtrans-75.1-34.3173.3-68.4177.611.500112.1S236 R237 K238 R244S236-Q240 WeakPolarHBondContact O-CG 3.29Å; R237-Q240 PolarHBondContact O-N 3.06Å; K238-Q240 PolarHBondContact O-N 3.07Å; Q240-R244 WeakPolarHBondContact O-CB 3.37Å; Q240-R244 PolarHBondContact O-N 3.02Å
241R58.6Low61.4Low104 Ų104101.1 Ų101.139%0.39249%0.489SS..Hα-helixtrans-68.8-50174.5-176.1172.5178.3163.66.1111N184 G185 R237 K238 R243 R244 E245N184-R241 PolarHBondContact O-NH1 3.32Å; G185-R241 PolarHBondContact O-NH1 2.64Å; R237-R241 PolarHBondContact O-N 3.15Å; R237-R241 VanDerWaalsContact O-N 3.14Å; K238-R241 WeakPolarHBondContact O-CA 3.49Å; K238-R241 WeakPolarHBondContact O-CB 3.45Å; K238-R241 PolarHBondContact O-N 3.43Å; R241-R243 PolarHBondContact O-N 3.32Å; R241-R244 PolarHBondContact O-N 2.92Å; R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 IonicContact CZ-OE1 3.26Å; R241-E245 VanDerWaalsContact CZ-OE1 3.31Å; R241-E245 IonicContact NE-OE1 2.73Å; R241-E245 PolarHBondContact NE-OE1 3.45Å; R241-E245 IonicContact NE-OE2 3.81Å; R241-E245 IonicContact NH2-OE1 3.17Å; R241-E245 PolarHBondContact NH2-OE1 3.4Å; R241-E245 PolarHBondContact O-N 3.28Å
242E61Low60.8Low67 Ų67102.1 Ų102.131%0.31351%0.508SS..Hα-helixtrans-54.2-53.4177.1-70.1162.1161.900110.5K238 R244 E245 D246K238-E242 WeakPolarHBondContact CD-OE1 3.46Å; K238-E242 VanDerWaalsContact CE-OE1 3.27Å; K238-E242 WeakPolarHBondContact CE-OE1 3.46Å; K238-E242 HydrophobicContact CG-CG 4.48Å; K238-E242 IonicContact NZ-OE1 2.66Å; K238-E242 PolarHBondContact NZ-OE1 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.45Å; K238-E242 PolarHBondContact O-N 3.14Å; E242-R244 PolarHBondContact O-N 3.39Å; E242-R244 VanDerWaalsContact O-N 3.13Å; E242-E245 PolarHBondContact O-N 3.03Å; E242-E245 VanDerWaalsContact O-N 3.14Å; E242-D246 VanDerWaalsContact O-CG 3.31Å; E242-D246 PolarHBondContact O-N 3.15Å
243R61Low60.1Low183 Ų183110.2 Ų110.269%0.69153%0.529SS*.Hα-helixtrans-56.7-31.5175.1-175.9-174.8-67.6-156.2-1.9114L239 R241 L247L239-R243 WeakPolarHBondContact O-CB 3.36Å; L239-R243 PolarHBondContact O-N 3.31Å; R241-R243 PolarHBondContact O-N 3.32Å; R243-L247 HydrophobicContact CG-CD1 4.47Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.38Å; R243-L247 PolarHBondContact O-N 2.96Å
244R60.6Low59.5Low195 Ų195112.9 Ų112.974%0.73655%0.552SS**Hα-helixtrans-81.5-33.3-179-164.3177.5-170.4-169.32.3112Q240 R241 E242 V248Q240-R244 WeakPolarHBondContact O-CB 3.37Å; Q240-R244 PolarHBondContact O-N 3.02Å; R241-R244 PolarHBondContact O-N 2.92Å; E242-R244 PolarHBondContact O-N 3.39Å; E242-R244 VanDerWaalsContact O-N 3.13Å; R244-V248 WeakPolarHBondContact O-CG2 3.36Å; R244-V248 PolarHBondContact O-N 3.16Å
245E61.1Low58.6Low83 Ų83121.9 Ų121.939%0.38860%0.595SS.*Hα-helixtrans-72.4-37.2173-70.5170.1170.900110.3R241 E242 L247 V248 N249R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 IonicContact CZ-OE1 3.26Å; R241-E245 VanDerWaalsContact CZ-OE1 3.31Å; R241-E245 IonicContact NE-OE1 2.73Å; R241-E245 PolarHBondContact NE-OE1 3.45Å; R241-E245 IonicContact NE-OE2 3.81Å; R241-E245 IonicContact NH2-OE1 3.17Å; R241-E245 PolarHBondContact NH2-OE1 3.4Å; R241-E245 PolarHBondContact O-N 3.28Å; E242-E245 PolarHBondContact O-N 3.03Å; E242-E245 VanDerWaalsContact O-N 3.14Å; E245-L247 PolarHBondContact O-N 3.38Å; E245-V248 PolarHBondContact O-N 2.98Å; E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.79Å; E245-N249 PolarHBondContact O-ND2 2.91Å; E245-N249 VanDerWaalsContact O-ND2 3.15Å
246D64.8Low57.6Low105 Ų105124.2 Ų124.256%0.56161%0.611SS**Hα-helixtrans-55.9-47.4169.8-70.8-36.2000112.4E242 V248 N249 N250E242-D246 VanDerWaalsContact O-CG 3.31Å; E242-D246 PolarHBondContact O-N 3.15Å; D246-V248 VanDerWaalsContact C-N 3.25Å; D246-V248 PolarHBondContact O-N 3.36Å; D246-N249 PolarHBondContact O-N 2.96Å; D246-N250 PolarHBondContact O-N 3.13Å
247L64.9Low57Low102 Ų102126.5 Ų126.553%0.53462%0.624SS.*Hα-helixtrans-68.5-19.9-179.6-76.6167.9000114.2R243 E245R243-L247 HydrophobicContact CG-CD1 4.47Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.38Å; R243-L247 PolarHBondContact O-N 2.96Å; E245-L247 PolarHBondContact O-N 3.38Å
248V65.7Low56.5Low113 Ų113132.6 Ų132.669%0.68566%0.655SS**Hα-helixtrans-88-37.8174.6170.90000110.9R244 E245 D246R244-V248 WeakPolarHBondContact O-CG2 3.36Å; R244-V248 PolarHBondContact O-N 3.16Å; E245-V248 PolarHBondContact O-N 2.98Å; D246-V248 VanDerWaalsContact C-N 3.25Å; D246-V248 PolarHBondContact O-N 3.36Å
249N66Low55.6Low122 Ų122138.9 Ų138.965%0.65268%0.676SS**Hα-helixtrans-81.9-24.5-179.9-66.6-34.4000113.4E245 D246E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.79Å; E245-N249 PolarHBondContact O-ND2 2.91Å; E245-N249 VanDerWaalsContact O-ND2 3.15Å; D246-N249 PolarHBondContact O-N 2.96Å
250N59.9Low54.9Low131 Ų131144.2 Ų144.270%0.70169%0.688SS**SBendtrans-134.483.9172.8-87.3-71000110.7D246D246-N250 PolarHBondContact O-N 3.13Å
251P55.9Low54.2Low91 Ų91144.3 Ų144.359%0.59170%0.699SS**  trans-61.6140.1167.326.8-34.2000110.1R253P251-R253 PolarHBondContact O-N 2.95Å
252P55Low53.5Low115 Ų115145.9 Ų145.975%0.74772%0.72SS**  trans-56.9110.7177.2-26.535.4000111.5A254P252-A254 PolarHBondContact O-N 3.2Å
253R49.1Very low52.7Low239 Ų239148 Ų14890%0.90274%0.74SS**  trans-70.6101.8-176-161.9178.2-166.1177.24.9109.7P251 Q255P251-R253 PolarHBondContact O-N 2.95Å; R253-Q255 PolarHBondContact O-N 2.95Å
254A50.7Low51.7Low91 Ų91146.7 Ų146.775%0.75275%0.747SS**  trans-55.2127.7176.200000110.2P252 E256P252-A254 PolarHBondContact O-N 3.2Å; A254-E256 PolarHBondContact O-N 2.86Å
255Q44.9Very low50.9Low196 Ų196142.3 Ų142.392%0.91675%0.746SS**  trans-82.196178.1-69.3-177.4-6.700109.3R253R253-Q255 PolarHBondContact O-N 2.95Å
256E42.4Very low50.2Low181 Ų181146 Ų14685%0.84676%0.763SS**PPolyproline II helixtrans-85.4136.4171.2-149.3172.7178.800110A254 Q258A254-E256 PolarHBondContact O-N 2.86Å; E256-Q258 PolarHBondContact O-N 3.2Å
257P43.6Very low49.3Very low117 Ų117147.8 Ų147.876%0.7677%0.768SS**PPolyproline II helixtrans-77.8125.3-161.5-17.132.8000113.9R259P257-R259 PolarHBondContact O-N 2.65Å
258Q44.4Very low48.1Very low192 Ų192151.8 Ų151.890%0.89778%0.781SS**PPolyproline II helixtrans-64.8117.4168.5-76.8-169.8-57.900111.1E256 R260E256-Q258 PolarHBondContact O-N 3.2Å; Q258-R260 PolarHBondContact O-N 3.47Å
259R40.3Very low47Very low247 Ų247149.8 Ų149.893%0.93278%0.777SS**PPolyproline II helixtrans-64.6128.4165.1-66.6-177.1177.1-167.5-0.6109.6P257P257-R259 PolarHBondContact O-N 2.65Å
260R44.6Very low45.8Very low228 Ų228151.4 Ų151.486%0.8679%0.785SS**PPolyproline II helixtrans-86.8145.1165.7-68.6-175.3177.5-174.4-0.5110.1Q258Q258-R260 PolarHBondContact O-N 3.47Å
261P44Very low44.9Very low128 Ų128149.2 Ų149.283%0.83178%0.78SS**PPolyproline II helixtrans-67.9160.5167.7-15.830.8000111.9
262V44.4Very low44.2Very low137 Ų137155.7 Ų155.783%0.8379%0.793SS**  trans-116132.4179-172.50000109.2
263P44.3Very low43.4Very low113 Ų113159.1 Ų159.173%0.73480%0.796SS**  trans-90.5161.3171.335.7-33000112.7
264D38.5Very low43Very low154 Ų154153 Ų15382%0.82479%0.785SS**  trans-66.6146-171.1-54.1-87.5000115.7
265S43.8Very low42.5Very low103 Ų103155.8 Ų155.872%0.7278%0.783SS**  171.1128.2106.9-77.20000115.5
266Q46Very low42.3Very low162 Ų162154.3 Ų154.376%0.75777%0.773SS**  trans57.9120.6135.6-63-169000123.5
267Q46.5Very low42.2Very low142 Ų142156.7 Ų156.766%0.66478%0.775SS**  trans81.5125.8134.1-69.3-175.647.100122.7
268K40.6Very low42.4Very low186 Ų186155.7 Ų155.781%0.80977%0.768SS**  trans67.7147146.9-68.4176.2179175.50118.5
269A42.8Very low42.2Very low71 Ų71156.8 Ų156.859%0.58777%0.766SS**  cis-162.3157.8-18.800000109.6
270D40.5Very low42.2Very low155 Ų155152.2 Ų152.283%0.82976%0.76SS**  trans60.4167.9164.6-43.6-42.3000116
271S41.4Very low41.8Very low85 Ų85146.5 Ų146.559%0.59476%0.755SS**  cis-151.1127.7-6.5-151.20000111.5
272W40.4Very low41.6Very low227 Ų227146.2 Ų146.286%0.8675%0.751SS**  trans60.1126141.3-60.122.4000118.8
273K39.3Very low41.4Very low187 Ų187146.4 Ų146.481%0.81375%0.747SS**  51142.7102.9-64.5-178.2178177.20116.3
274T39.9Very low41.2Very low111 Ų111146.1 Ų146.168%0.68175%0.748SS**  cis-179.1164.5-5.6-93.90000107.3
275E39.5Very low41.4Very low150 Ų150144.9 Ų144.970%0.70175%0.751SS**  trans69.1165.3166.3-84.6-175.9141.900118.3
276K41Very low41.1Very low164 Ų164144.2 Ų144.271%0.71375%0.752SS**  cis-164.1157.1-40.2-123.5178.5-148.9156.50111
277R41.1Very low41.2Very low232 Ų232141.9 Ų141.988%0.87575%0.751SS**  trans75160.3151.1-85.8-150157.2167.8-4.7121.9
278P47.2Very low41.1Very low96 Ų96144 Ų14462%0.62376%0.761SS**  trans-135.5174.8-15645-27.8000116.8
279Y40Very low41.1Very low214 Ų214141.5 Ų141.584%0.83976%0.761SS**  trans-146.1153.7165.4-53.5-78.3000107.8
280N39.9Very low41.3Very low152 Ų152143.1 Ų143.181%0.81377%0.766SS**  cis-152.7173.25.2-127.21.2000111.2
281S36.5Very low41.4Very low107 Ų107140.5 Ų140.575%0.74876%0.759SS**  trans-150.9138.2173174.80000110.5
282T41Very low41.6Very low122 Ų122144 Ų14475%0.74877%0.766SS**  trans-173.8130.8156.522.60000114.6
283N39.5Very low41.9Very low141 Ų141141 Ų14175%0.75476%0.761SS**  trans42.8121131.5-61.1-0.2000123.8
284S39.7Very low42.5Very low107 Ų107137 Ų13775%0.74876%0.755SS**  39.3122.8113.1-44.30000121.5
285S42Very low42.6Very low128 Ų128138.3 Ų138.390%0.89576%0.757SS**  -173.4155.4125.1-82.40000113.2
286A38.4Very low42.9Very low90 Ų90138.2 Ų138.274%0.74476%0.757SS**  trans-122-175.816200000106.9
287P47.8Very low43.1Very low113 Ų113139.3 Ų139.373%0.73476%0.764SS**  cis-136.5-148.80.532.8-7.5000112.4
288Q43.7Very low43.2Very low186 Ų186132.8 Ų132.887%0.86976%0.76SS**  trans104.5136.6156.4-63.1-172.9-27.100120.4
289V41.5Very low42.8Very low134 Ų134139.2 Ų139.281%0.81277%0.771SS**  trans-111.3137.8174.2162.40000104.4
290P47.4Very low42.9Very low105 Ų105134.1 Ų134.168%0.68277%0.767SS**  -159.4158.299.541.4-21.9000118.4
291S42.8Very low43.2Very low99 Ų99135.6 Ų135.669%0.69277%0.769SS**  trans63.8163.2135.470.70000120.5
292Q44.3Very low43.5Very low158 Ų158135.1 Ų135.174%0.73877%0.772SS**  cis-165.6168.3-28.1-108.3177.9-5.300108.3
293H47.6Very low43.3Very low164 Ų164133.4 Ų133.476%0.75978%0.778SS**  trans71.7157.7155.6-75.3-57.6000119.6
294P51.1Low43.3Very low105 Ų105130.6 Ų130.668%0.68278%0.782SS**  trans-120.2-168.2-156.944.2-31.3000112.8
295N43.1Very low43.3Very low137 Ų137131.2 Ų131.273%0.73379%0.787SS**  trans-153.9162.5146-108.7-22.6000114.7
296H44.6Very low43.4Very low148 Ų148134.3 Ų134.369%0.68579%0.787SS**  trans-13153.5165.8-52-47000119
297H46.4Very low43.2Very low188 Ų188137.6 Ų137.687%0.8779%0.792SS**  cis-142.9156.241.1-71.1-94.9000115.6
298A41.8Very low42.9Very low95 Ų95138.1 Ų138.179%0.78579%0.793SS**  trans-112140164.200000110.3
299R40.5Very low42.6Very low230 Ų230137 Ų13787%0.86879%0.788SS**  trans-156.5130.8143.2-138172.7-174.5157.92.4111.3
300S41.9Very low42.5Very low107 Ų107138.2 Ų138.275%0.74879%0.787SS**  trans-79.5148.2165.743.40000110.3
301H45.4Very low41.9Very low183 Ų183139.5 Ų139.585%0.84779%0.788SS**  trans-145.5152.7151.1-101.9-81000108.8
302A43.8Very low41.5Very low98 Ų98143.2 Ų143.281%0.8179%0.794SS**  trans-108.2160.9-166.600000113.1
303G36.6Very low41.1Very low85 Ų85141.6 Ų141.688%0.87680%0.797SS**  trans50115.3141.600000119.6
304G37.9Very low40.3Very low82 Ų82144.9 Ų144.985%0.84580%0.804SS**  trans-177.699.6166.100000112.4
305S41.3Very low39.4Very low121 Ų121147.5 Ų147.585%0.84681%0.808SS**  trans-77.2128.9171.2-59.70000110.6
306Q42.7Very low38.9Very low193 Ų193144.4 Ų144.490%0.90281%0.807SS**  trans-159.9148.3138.8-110161.728.700110.3
307N34.8Very low38.4Very low159 Ų159145 Ų14585%0.8581%0.81SS**  trans-128.2115-170.7178.618000109
308T41.6Very low37.9Very low123 Ų123142.9 Ų142.976%0.75581%0.805SS**  trans-145.2143.6179.6-21.50000111.2
309Q37Very low37.4Very low164 Ų164148.1 Ų148.177%0.76681%0.805SS**  trans-32.4141.4-179.9-59.9165.1-11.900116.8
310M40Very low37.1Very low158 Ų158140.7 Ų140.778%0.77879%0.793SS**  -166.6166107.3-101.3-60.9161.900113.8
311N35.1Very low37Very low132 Ų132141.1 Ų141.171%0.70679%0.793SS**  trans-63142.7-171.4-61-54.9000115.4
312H34.1Very low36.5Very low177 Ų177138.5 Ų138.582%0.81978%0.781SS**  trans-151139.7136.4-83.1-55.9000111.3
313P35.2Very low36.2Very low125 Ų125137.8 Ų137.881%0.81277%0.77SS**  trans-82.9126.7-179.332-33.3000112.1
314Y31.1Very low36.2Very low232 Ų232142 Ų14291%0.9177%0.767SS**  trans-82.9122.1-179.8-100.2-89.7000113.3G316Y314-G316 PolarHBondContact O-N 2.72Å
315H33.2Very low36Very low161 Ų161143.8 Ų143.875%0.74576%0.761SS**  trans-78.4103.6177.2-142-38000110.5H317H315-H317 PolarHBondContact O-CD2 3.05Å; H315-H317 PolarHBondContact O-N 2.68Å
316G31Very low35.6Very low71 Ų71145.8 Ų145.873%0.73275%0.751SS**  trans-71.293.4178.300000112.7Y314 N318Y314-G316 PolarHBondContact O-N 2.72Å; G316-N318 PolarHBondContact O-N 3.16Å
317H35.5Very low35Very low161 Ų161139.6 Ų139.675%0.74574%0.739SS**  trans-72.7116.1177.6-76.9-83.1000112.3H315 R319H315-H317 PolarHBondContact O-CD2 3.05Å; H315-H317 PolarHBondContact O-N 2.68Å; H317-R319 PolarHBondContact O-N 3.5Å
318N34.8Very low34.7Very low143 Ų143139.1 Ų139.177%0.76574%0.736SS**  trans-64.897165.4-78-48.5000109.9G316 A320G316-N318 PolarHBondContact O-N 3.16Å; N318-A320 PolarHBondContact O-N 3.43Å; N318-A320 VanDerWaalsContact O-N 3.14Å
319R32.6Very low34.2Very low205 Ų205141.6 Ų141.677%0.77474%0.739SS**  trans-79.194.6174-164.8174.6-168.8157.91.3109.2H317H317-R319 PolarHBondContact O-N 3.5Å
320A33Very low34Very low75 Ų75141.8 Ų141.862%0.6274%0.74SS**  trans-54.6147.7168.800000110.2N318 Q322N318-A320 PolarHBondContact O-N 3.43Å; N318-A320 VanDerWaalsContact O-N 3.14Å; A320-Q322 PolarHBondContact O-N 3.18Å; A320-Q322 VanDerWaalsContact O-N 3.08Å
321P40Very low33.6Very low116 Ų116142.1 Ų142.175%0.75374%0.744SS**  trans-55.7119.7179.5-2534000110.6S323P321-S323 PolarHBondContact O-N 2.91Å
322Q34.7Very low33.5Very low128 Ų128142.6 Ų142.660%0.59875%0.747SS**  trans-68.5101.2170.8-72.9-176.1-104.400107.1A320 H324A320-Q322 PolarHBondContact O-N 3.18Å; A320-Q322 VanDerWaalsContact O-N 3.08Å; Q322-H324 VanDerWaalsContact C-N 3.31Å; Q322-H324 PolarHBondContact O-N 2.96Å
323S37.3Very low33.4Very low82 Ų82145.6 Ų145.657%0.57375%0.75SS**  trans-61.997.9168.936.70000107.6P321 V325P321-S323 PolarHBondContact O-N 2.91Å; S323-V325 PolarHBondContact O-N 3.18Å
324H38.1Very low33.4Very low174 Ų174144.8 Ų144.881%0.80675%0.748SS**  trans-58112.5174.8-99.3-98000107.9Q322Q322-H324 VanDerWaalsContact C-N 3.31Å; Q322-H324 PolarHBondContact O-N 2.96Å
325V33.7Very low33.8Very low119 Ų119142.6 Ų142.672%0.72175%0.745SS**  trans-59.3140-177.9175.40000108.4S323 G327S323-V325 PolarHBondContact O-N 3.18Å; V325-G327 VanDerWaalsContact C-N 3.3Å; V325-G327 PolarHBondContact O-N 3.35Å
326Y32.5Very low34.1Very low164 Ų164139.5 Ų139.564%0.64374%0.742SS**  trans-59.794.5167.2-85.2-79.4000110R138R138-Y326 VanDerWaalsContact NH2-CZ 3.28Å; R138-Y326 PolarHBondContact NH2-OH 3.34Å
327G30.1Very low34.5Very low62 Ų62143.7 Ų143.764%0.63975%0.748SS**  trans-72.4146.5159.400000109.7V325 E329V325-G327 VanDerWaalsContact C-N 3.3Å; V325-G327 PolarHBondContact O-N 3.35Å; G327-E329 PolarHBondContact O-N 3.36Å
328N28.5Very low34.5Very low150 Ų150146.7 Ų146.780%0.80275%0.752SS**  trans-71120.1172.9-76.8-10.5000109.6
329E31.3Very low35Very low174 Ų174145.4 Ų145.481%0.81375%0.752SS**  trans-119.3116.3153.5-68.1-150.714100109.7G327 L331G327-E329 PolarHBondContact O-N 3.36Å; E329-L331 PolarHBondContact O-N 2.99Å; E329-L331 VanDerWaalsContact O-N 3.08Å
330H31.5Very low35.5Very low168 Ų168141 Ų14178%0.77875%0.75SS**  trans-76.688.1174.1-81.6-111000109.4N332H330-N332 PolarHBondContact O-N 3Å
331L32.8Very low35.7Very low166 Ų166141 Ų14187%0.86976%0.758SS**  trans-73.169.1165.3-71.6178.8000110.6E329E329-L331 PolarHBondContact O-N 2.99Å; E329-L331 VanDerWaalsContact O-N 3.08Å
332N33.3Very low35.8Very low142 Ų142142.1 Ų142.176%0.75977%0.765SS**  trans-77.6121.3175-158.115.5000109.1H330 S334H330-N332 PolarHBondContact O-N 3Å; N332-S334 PolarHBondContact O-N 3.28Å
333R30.3Very low35.9Very low239 Ų239139.6 Ų139.690%0.90277%0.773SS**  trans-66.4123.3176.2-81.7178.3165.9178.9-4.9109.9
334S36.6Very low36.1Very low108 Ų108142.9 Ų142.976%0.75578%0.784SS**  trans-157.7131.8152.9-86.50000114.3N332N332-S334 PolarHBondContact O-N 3.28Å
335H39.3Very low36.4Very low186 Ų186142.5 Ų142.586%0.86179%0.788SS**  trans-13.5134.8164.4-61.6-93.2000120.9
336S39Very low36.9Very low97 Ų97145.9 Ų145.968%0.67880%0.796SS**  trans46.3113.5131.4-157.40000120.3
337N40.4Very low37.4Very low158 Ų158143.4 Ų143.485%0.84580%0.8SS**  -171160.8103.4-89-16.8000112
338R34.2Very low38.2Very low224 Ų224146.9 Ų146.985%0.84580%0.804SS**  trans-133.1127.8-172.4178.7-170.5-173.7-158.56112
339P45.2Very low38.7Very low116 Ų116145.6 Ų145.675%0.75380%0.804SS**  trans-94156.5158.4-424.2000112
340P43.9Very low39.2Very low112 Ų112145.9 Ų145.973%0.72780%0.803SS**  trans-116.1119.5-169.337.5-26.3000117.2
341G37.5Very low39.6Very low77 Ų77149.5 Ų149.579%0.79481%0.809SS**  trans61-166.1149.800000118.6
342P41.7Very low40.1Very low138 Ų138150 Ų15090%0.89681%0.807SS**  cis-122.2172.8-13.740.2-27000113.5
343G37.6Very low40.2Very low75 Ų75153.3 Ų153.377%0.77381%0.809SS**  trans161.2115.3169.600000115.5
344N41.7Very low40.7Very low152 Ų152150.8 Ų150.881%0.81381%0.805SS**  trans-49.6144.2-174.2-57.6-13.8000116.7
345N44.4Very low40.8Very low166 Ų166151.6 Ų151.689%0.88880%0.801SS**  -165160.9115.9-93.9-22.7000112.7
346E43.7Very low40.7Very low189 Ų189153.1 Ų153.188%0.88380%0.799SS**PPolyproline II helixtrans-70.3150-157.3-143.2160.910100117.2
347P43Very low40.8Very low113 Ų113154.2 Ų154.273%0.73480%0.804SS**PPolyproline II helixtrans-100.1127.2174.335.6-30.2000114.4P349P347-P349 WeakPolarHBondContact O-CD 3Å
348D46Very low40.4Very low134 Ų134156.7 Ų156.772%0.71781%0.808SS**PPolyproline II helixtrans-73.6117.2176176.714.7000112.8K350D348-K350 PolarHBondContact O-N 3.5Å
349P38.8Very low40.8Very low123 Ų123151.7 Ų151.780%0.79980%0.804SS**  trans-86.164.2-171.936.2-37.2000113.3P347P347-P349 WeakPolarHBondContact O-CD 3Å
350K43.4Very low40.2Very low181 Ų181153.7 Ų153.779%0.78781%0.808SS**  trans-139.613.6-176.8-109.8160-168.2164.80119D348D348-K350 PolarHBondContact O-N 3.5Å
351R39.8Very low40.1Very low243 Ų243157.5 Ų157.592%0.91782%0.816SS**  trans-115.597.6171-100.5-177.2168.7-118.4-2.1112.7R353R351-R353 PolarHBondContact O-N 2.82Å
352Q42.2Very low39.8Very low176 Ų176159.1 Ų159.182%0.82281%0.814SS**  trans-64.6119.4159.4-75.8-179.4-20.400109.1
353R36.6Very low39.5Very low213 Ų213159.8 Ų159.880%0.80481%0.806SS**  trans-79.1124.1161-79.1-173.6175.9-170.10.1108.5R351 D355R351-R353 PolarHBondContact O-N 2.82Å; R353-D355 VanDerWaalsContact C-N 3.33Å; R353-D355 WeakPolarHBondContact CD-OD2 3.49Å; R353-D355 PolarHBondContact O-N 3.34Å
354F40Very low39.5Very low185 Ų185166.6 Ų166.681%0.81181%0.808SS**  trans-91.770.8166.3-103.8-90.5000109.8
355D37.6Very low39.2Very low126 Ų126164.9 Ų164.967%0.67481%0.808SS**  trans-94.7108.8163.2-70.9-59.2000107.7R353R353-D355 VanDerWaalsContact C-N 3.33Å; R353-D355 WeakPolarHBondContact CD-OD2 3.49Å; R353-D355 PolarHBondContact O-N 3.34Å
356R38.8Very low39.1Very low218 Ų218163.3 Ų163.382%0.82381%0.807SS**  trans-144.4110.9176-146.6179.3-159.4-162.35.1111.6
357P41.2Very low39Very low119 Ų119162.7 Ų162.777%0.77380%0.804SS**PPolyproline II helixtrans-77.2148.6177.731.4-34.2000111.6
358F30.4Very low39.1Very low211 Ų211162.1 Ų162.193%0.92580%0.8SS**PPolyproline II helixtrans-81.2130.6170.1-77.6-97.4000111.1
359P42.9Very low38.9Very low119 Ų119163.3 Ų163.377%0.77380%0.801SS**PPolyproline II helixtrans-97.9122.1157.933.2-25.9000110.7
360N33Very low39Very low157 Ų157164.9 Ų164.984%0.8480%0.802SS**PPolyproline II helixtrans-71.5130.7166.3-107.9-16.4000109.9
361Q42.3Very low38.8Very low192 Ų192161.9 Ų161.990%0.89780%0.804SS**  trans-158.2126.5153.6-124.716487.600112.3
362C30.5Very low38.9Very low112 Ų112154 Ų15476%0.75780%0.799SS**  trans-92.7140.6177.3-50.70000110.4
363Q36.7Very low39Very low152 Ų152149 Ų14971%0.7179%0.794SS**  176.4146.3120.4-100.5178.381.700115.1
364R36.6Very low39.4Very low217 Ų217147.3 Ų147.382%0.81980%0.795SS**  trans58.8111.7149.5-63.6172.9-168.1-112.8-0.8120.2
365S36Very low39.6Very low117 Ų117146.9 Ų146.982%0.81880%0.795SS**  trans-70.4166.7149.8-39.70000111.5
366P41.1Very low40.4Very low132 Ų132146 Ų14686%0.85780%0.796SS**  -141.9169.3106.937.6-24.6000115
367Q42.1Very low40.6Very low177 Ų177142.9 Ų142.983%0.82780%0.796SS**  trans-107.8160.9178-139.7-164.20.100112
368P44.4Very low40.8Very low101 Ų101140.6 Ų140.666%0.65679%0.794SS**  -142.2-170113.228.1-6.3000110.6
369H41.4Very low41.4Very low158 Ų158136.7 Ų136.773%0.73179%0.787SS**  cis-162.6171.41.232.8-116.4000106.7
370L41.7Very low41.3Very low156 Ų156135.3 Ų135.382%0.81779%0.786SS**  cis-164.3173.6-14.6-110.9170.3000108.7
371S40Very low41.8Very low118 Ų118139.2 Ų139.283%0.82579%0.789SS**  trans67.8136.3160.3-58.20000119.6
372G41.2Very low41.8Very low79 Ų79133.9 Ų133.981%0.81478%0.778SS**  cis172.1154.4-9.500000115
373G43.9Very low42.4Very low70 Ų70135.7 Ų135.772%0.72278%0.78SS**  trans91.8146171.900000116.3
374H45.1Very low42.7Very low177 Ų177139.4 Ų139.482%0.81979%0.788SS**  cis-162.2113.5-9.6-123.217.8000111.8
375H44.2Very low43Very low176 Ų176135.7 Ų135.782%0.81578%0.781SS**  trans50.1164.1140-87.8-70.3000123.2
376P55.7Low43.2Very low109 Ų109137 Ų13771%0.70877%0.774SS**  -138.7-160.7-129.445.5-24.5000115.4
377D42.5Very low43.2Very low152 Ų152135.5 Ų135.581%0.81377%0.767SS**  140.3155.3127.6-151.3-6.1000113.3
378G44.3Very low43Very low70 Ų70132.5 Ų132.572%0.72277%0.765SS**  trans140.6124.6179.900000113.9
379T42.9Very low42.9Very low129 Ų129134.3 Ų134.379%0.79178%0.775SS**  trans-128.8159.8-163.953.10000116.2
380A42Very low42.8Very low91 Ų91131.7 Ų131.775%0.75277%0.774SS**  trans75.6165.316100000117.5
381R42.2Very low42.9Very low238 Ų238133.2 Ų133.290%0.89878%0.776SS**  cis-160.414212.5-153.4169.1-176.71731.3114.9
382A44.1Very low42.8Very low80 Ų80132.8 Ų132.866%0.66177%0.773SS**  trans57.8119.6144.900000126.1
383N42.2Very low42.6Very low150 Ų150132.8 Ų132.880%0.80277%0.773SS**  50126.4117.1-51.92.8000124.7
384R42Very low42.2Very low231 Ų231133.5 Ų133.587%0.87278%0.781SS**  -167.7128111-139.8160.3-176.8166.21.3108.9
385M43.1Very low41.7Very low139 Ų139128.5 Ų128.569%0.68578%0.778SS**  61.4134.370.1-86.3157.6107.500113.3
386E41.2Very low41.4Very low144 Ų144129.8 Ų129.867%0.67378%0.784SS**  cis-166.2166.918.1-146.4152.6177.700115.2
387S40.4Very low40.4Very low101 Ų101133.6 Ų133.671%0.70679%0.792SS**  trans61.3133.2160.248.40000119.8
388S38.2Very low40.4Very low113 Ų113136 Ų13679%0.7980%0.795SS**  cis76.2136.547.2-55.30000112.9
389V42.6Very low40.1Very low140 Ų140138.5 Ų138.585%0.84880%0.796SS**  cis-146.4162.547.3171.20000113.6
390S38.4Very low39.7Very low103 Ų103139.8 Ų139.872%0.7279%0.793SS**  trans-71.8160.1-177.4-28.10000117.2
391H44.2Very low39.4Very low187 Ų187144.9 Ų144.987%0.86679%0.794SS**  -154.8-174.4124.3-126.4-38.3000113.3
392S38.4Very low39Very low109 Ų109141.2 Ų141.276%0.76279%0.787SS**  trans-135.3146.2-147.5-27.40000114
393G38.1Very low38.5Very low79 Ų79142.6 Ų142.681%0.81479%0.791SS**  trans175.7139.7168.500000113.4
394G35.1Very low38.1Very low86 Ų86139.2 Ų139.289%0.88779%0.785SS**  trans-86.7173.4168.400000111.9
395G33.1Very low37.7Very low72 Ų72135.5 Ų135.574%0.74278%0.782SS**  cis179.3-138.62.700000111.5
396E39.5Very low37.3Very low202 Ų202138.9 Ų138.994%0.94479%0.787SS**  trans73.3148.1178-54.1-153.711100118.1
397H34.7Very low37.1Very low189 Ų189139.7 Ų139.788%0.87579%0.794SS**  trans-90.2136.8-173.4-71.7-99.4000112.5
398K40.8Very low36.7Very low203 Ų203142 Ų14288%0.88379%0.794SS**  trans-143.2119149.3-136.7168.8-171.9172.80111.7H400K398-H400 PolarHBondContact O-N 3.38Å
399V39.4Very low36.3Very low123 Ų123139.9 Ų139.975%0.74579%0.79SS**  trans-71.1111.8-178.6-177.30000109.1Y401V399-Y401 HydrophobicContact CG1-CD2 4.37Å; V399-Y401 HydrophobicContact CG1-CE2 4.38Å; V399-Y401 PolarHBondContact O-N 3.36Å
400H34.1Very low35.8Very low155 Ų155138 Ų13872%0.71878%0.779SS**  trans-90.596-175.9-167.278.7000110.9K398 Q402K398-H400 PolarHBondContact O-N 3.38Å; H400-Q402 PolarHBondContact O-N 3.17Å; H400-Q402 VanDerWaalsContact O-N 3.13Å
401Y36.1Very low35.4Very low199 Ų199140.8 Ų140.878%0.7879%0.786SS**  trans-68.6104.1171.8-93.6-90.6000110.5V399 S403V399-Y401 HydrophobicContact CG1-CD2 4.37Å; V399-Y401 HydrophobicContact CG1-CE2 4.38Å; V399-Y401 PolarHBondContact O-N 3.36Å; Y401-S403 PolarHBondContact O-N 3.42Å
402Q32.8Very low34.8Very low161 Ų161141.6 Ų141.675%0.75278%0.783SS**  trans-77.883.9170.1-69.3-170.9-9.200110.6H400 A404H400-Q402 PolarHBondContact O-N 3.17Å; H400-Q402 VanDerWaalsContact O-N 3.13Å; Q402-A404 PolarHBondContact O-N 2.95Å
403S34.1Very low34.5Very low108 Ų108147.7 Ų147.776%0.75579%0.789SS**  trans-73.562.9167.9-670000111.3Y401 N405Y401-S403 PolarHBondContact O-N 3.42Å; S403-N405 PolarHBondContact O-N 3.01Å
404A35Very low34.1Very low80 Ų80152.5 Ų152.566%0.66179%0.792SS**  trans-7670179.100000111.2Q402 R406Q402-A404 PolarHBondContact O-N 2.95Å; A404-R406 PolarHBondContact O-N 3.3Å
405N33.6Very low33.9Very low152 Ų152152.6 Ų152.681%0.81379%0.785SS**  trans-75.852.8179.5-14718.4000112.1S403 I407S403-N405 PolarHBondContact O-N 3.01Å; N405-I407 PolarHBondContact O-N 3.43Å
406R32.9Very low33.7Very low210 Ų210158.4 Ų158.479%0.79279%0.793SS**  trans-8099.3168.9-78.9-169-179.8-173.22.1108.7A404 H408A404-R406 PolarHBondContact O-N 3.3Å; R406-H408 PolarHBondContact O-N 3.45Å
407I37.2Very low33.3Very low161 Ų161154.7 Ų154.783%0.82679%0.789SS**  trans-57.7106.3160.3-58.7175.5000106.8N405 G409N405-I407 PolarHBondContact O-N 3.43Å; I407-G409 PolarHBondContact O-N 2.91Å
408H33.2Very low33.2Very low149 Ų149152 Ų15269%0.6979%0.787SS**  trans-69.1125.8171.3-100.245.3000108.4R406 T410R406-H408 PolarHBondContact O-N 3.45Å; H408-T410 PolarHBondContact O-N 3.44Å; H408-T410 VanDerWaalsContact O-N 3.13Å
409G28.2Very low32.6Very low69 Ų69145.5 Ų145.571%0.71178%0.777SS**  trans-62.8113.4166.500000108.8I407 D411I407-G409 PolarHBondContact O-N 2.91Å; G409-D411 PolarHBondContact O-N 2.96Å
410T33.3Very low32.4Very low101 Ų101151 Ų15162%0.6279%0.786SS**  trans-78.498.7172.644.60000109H408 Y412H408-T410 PolarHBondContact O-N 3.44Å; H408-T410 VanDerWaalsContact O-N 3.13Å; T410-Y412 HydrophobicContact CG2-CE2 4.32Å; T410-Y412 WeakPolarHBondContact O-CD2 3.43Å; T410-Y412 PolarHBondContact O-N 3.24Å; T410-Y412 WeakPolarHBondContact OG1-CE2 3.42Å
411D29Very low32.4Very low162 Ų162151.4 Ų151.487%0.86679%0.793SS**  trans-63.183.3170.1-85.5-51.8000110.7G409 R413G409-D411 PolarHBondContact O-N 2.96Å; D411-R413 PolarHBondContact O-N 2.98Å
412Y32.6Very low32.3Very low203 Ų203146.6 Ų146.680%0.79680%0.795SS**  trans-7279172.1-83.6-75.1000110.3T410 M414T410-Y412 HydrophobicContact CG2-CE2 4.32Å; T410-Y412 WeakPolarHBondContact O-CD2 3.43Å; T410-Y412 PolarHBondContact O-N 3.24Å; T410-Y412 WeakPolarHBondContact OG1-CE2 3.42Å; Y412-M414 PolarHBondContact O-N 3.48Å
413R31Very low32.6Very low237 Ų237145.4 Ų145.489%0.89480%0.798SS**  trans-53.9110.1172.8-167.5178.6-164162.74.9109.6D411 A415D411-R413 PolarHBondContact O-N 2.98Å; R413-A415 PolarHBondContact O-N 3.24Å
414M30.3Very low32.9Very low180 Ų180145.7 Ų145.789%0.88780%0.798SS**  trans-49.8109.8-178.1-85.1-76.7-17600112.2Y412Y412-M414 PolarHBondContact O-N 3.48Å
415A31.9Very low33Very low89 Ų89149.8 Ų149.874%0.73681%0.808SS**  trans-78.9124.5168.200000109.1R413 S417R413-A415 PolarHBondContact O-N 3.24Å; A415-S417 PolarHBondContact O-N 3.07Å; A415-S417 VanDerWaalsContact O-N 3.08Å
416Q27.3Very low33.3Very low193 Ų193151.9 Ų151.990%0.90281%0.81SS**  trans-69.2105.5-179.4-68.3174.4-15.500110.2
417S31.6Very low33.9Very low125 Ų125147.5 Ų147.587%0.87481%0.809SS**  trans-92.9118.7173.5-170.50000110A415A415-S417 PolarHBondContact O-N 3.07Å; A415-S417 VanDerWaalsContact O-N 3.08Å
418T33.8Very low33.9Very low133 Ų133145 Ų14582%0.81680%0.803SS**  trans-83.2136.5-172.8370000113.3
419G27.3Very low34.2Very low66 Ų66148 Ų14868%0.6881%0.81SS**  trans68.593.4144.300000118.6
420Y35Very low34.7Very low239 Ų239148.3 Ų148.394%0.93781%0.813SS**  trans-110.6127.5143-90-90000109.1
421N34.2Very low34.8Very low162 Ų162153.5 Ų153.587%0.86682%0.821SS**PPolyproline II helixtrans-70.6138.1-168.9-75-64.2000112.9
422A33.3Very low35.3Very low99 Ų99151.3 Ų151.382%0.81881%0.809SS**PPolyproline II helixtrans-73.9137.5169.200000110.9
423V39.6Very low35.6Very low135 Ų135149.2 Ų149.282%0.81881%0.807SS**PPolyproline II helixtrans-91.1129.3167.9-1800000107.8
424P39.8Very low36Very low115 Ų115144.7 Ų144.775%0.74780%0.796SS**PPolyproline II helixtrans-75.7133.6-171.928.8-34.9000112.8
425N37.1Very low36.4Very low165 Ų165144.1 Ų144.188%0.88279%0.791SS**PPolyproline II helixtrans-65.6137.7164-79.9-36000110.3
426K41.9Very low36.8Very low197 Ų197146.1 Ų146.186%0.85779%0.789SS**PPolyproline II helixtrans-88.3147.1160.9-87.2-172.5171.3-175.90110.3
427P44.5Very low37.5Very low118 Ų118140.5 Ų140.577%0.76677%0.771SS**PPolyproline II helixtrans-78.3157.3-174.232.4-36.5000113.1
428P38.1Very low37.8Very low107 Ų107144.5 Ų144.570%0.69577%0.767SS**  trans-92.3174.9173.938.8-36.1000113.1
429Y39.2Very low38.3Very low213 Ų213145.5 Ų145.584%0.83577%0.767SS**  trans65.5103.3171.4-74.1-80.5000118
430G37.7Very low38.9Very low76 Ų76149 Ų14978%0.78477%0.77SS**  trans-93.9158.9135.600000109.6
431R36.2Very low39.2Very low210 Ų210143 Ų14379%0.79276%0.763SS**  trans-148.9164.2177.7-147.9-167.5-158.3-1418.9108.9
432D38.3Very low39.6Very low115 Ų115138.1 Ų138.162%0.61575%0.751SS**  trans70.7139.3168.7-42.1-40000113.2
433E38.6Very low40Very low159 Ų159141.2 Ų141.274%0.74375%0.753SS**  cis-161.9-178.7-0.2-131.8170.2-179.900111.6
434H40.6Very low40.1Very low142 Ų142139.3 Ų139.366%0.65775%0.746SS**  trans66.1112.2173.4-77.1-87.2000117.8
435E39.1Very low40.1Very low169 Ų169145.1 Ų145.179%0.7975%0.754SS**  82.4145.294.5-79.1-172.5148.900113.9
436D39.3Very low40.1Very low130 Ų130142.5 Ų142.570%0.69575%0.748SS**  cis-149.8159.614.6-172.4-11.2000110.4
437S41.4Very low40.1Very low75 Ų75138.9 Ų138.952%0.52474%0.742SS.*  trans69.2147.1153.3-76.40000118.8
438R39.8Very low40Very low209 Ų209142.8 Ų142.879%0.78975%0.747SS**  cis-166.31481.7-115.2163.2-150.6-165.90.8110.8
439L42.5Very low40Very low155 Ų155143.3 Ų143.381%0.81275%0.751SS**  trans66.4150.7149.4-61.7168.9000118.6
440N39.8Very low40Very low140 Ų140140.4 Ų140.475%0.74976%0.755SS**  cis-168147.3-15.2175.533.9000111.2
441S43.2Very low39.9Very low112 Ų112139.8 Ų139.878%0.78375%0.749SS**  trans62.2141.7160.8-160.60000119.8
442G41.5Very low40Very low60 Ų60138.7 Ų138.762%0.61975%0.753SS**  cis158.3148.1-8.100000114.1
443N42.5Very low40Very low163 Ų163139 Ų13987%0.87276%0.76SS**  trans63.9151.3167.4-72.5-4.1000118.6
444S41.5Very low39.9Very low96 Ų96140.8 Ų140.867%0.67177%0.769SS**  cis-159.2167.7-8.9-119.20000114.5
445R39.6Very low39.7Very low237 Ų237137 Ų13789%0.89477%0.769SS**  trans-30.7159.2159.6-70.1169.7-179.2177.80.1116.5
446S37.4Very low39.3Very low110 Ų110136.7 Ų136.777%0.76977%0.772SS**  cis-178.4-167-7179.50000109.6
447V41Very low39.2Very low121 Ų121136.6 Ų136.673%0.73378%0.776SS**  trans100.785.4157-166.50000119.8
448K42Very low38.9Very low200 Ų200144 Ų14487%0.8779%0.793SS**  trans65.7158.3130.8-72.1-171.9173.3-176.60122.7
449P38.3Very low38.8Very low118 Ų118140 Ų14077%0.76679%0.791SS**  trans-128.7152-156.640.2-23.2000117.7
450T39.8Very low38.6Very low151 Ų151138.7 Ų138.793%0.92678%0.779SS**  trans-152151.5151.950.60000107.5
451G36Very low38.5Very low64 Ų64135.4 Ų135.466%0.6677%0.765SS**  cis157.589.7-9.900000112.9
452H38.5Very low38.4Very low187 Ų187134.2 Ų134.287%0.86675%0.75SS**  trans-169152161.1-98.6-48.9000111.5
453P36.9Very low38Very low120 Ų120135.2 Ų135.278%0.77974%0.741SS**PPolyproline II helixtrans-83.5126.9175.332.8-31.5000111.4
454Q37.7Very low37.9Very low198 Ų198129.4 Ų129.493%0.92571%0.71SS**PPolyproline II helixtrans-80.9142.6169.2-81.7-170.9-18.700111.6
455G35.5Very low37.8Very low63 Ų63129.9 Ų129.965%0.64971%0.705SS**PPolyproline II helixtrans-73.1159.4-172.700000114.6T457G455-T457 PolarHBondContact O-N 3.25Å
456N32.2Very low37.7Very low162 Ų162123 Ų12387%0.86668%0.68SS**  trans-71.784.1-172.8-167.95.6000112.8R458N456-R458 VanDerWaalsContact C-N 3.34Å; N456-R458 PolarHBondContact O-N 3.03Å
457T36.3Very low37.7Very low127 Ų127119.2 Ų119.278%0.77965%0.649SS**  trans-72.384.4175.145.50000111.3G455 V459G455-T457 PolarHBondContact O-N 3.25Å; T457-V459 PolarHBondContact O-N 3.08Å
458R34.2Very low37.5Very low231 Ų231119.1 Ų119.187%0.87265%0.645SS**  trans-62.694170.7-174.3179.6-176.3-179.32.2110.1N456 K460N456-R458 VanDerWaalsContact C-N 3.34Å; N456-R458 PolarHBondContact O-N 3.03Å; R458-K460 PolarHBondContact O-N 2.93Å
459V39.2Very low37.3Very low125 Ų125114.8 Ų114.876%0.75863%0.633SS**PPolyproline II helixtrans-53.9126.8174-179.50000109T457T457-V459 PolarHBondContact O-N 3.08Å
460K37.8Very low37.3Very low127 Ų127114.7 Ų114.755%0.55263%0.626SS**PPolyproline II helixtrans-78131169.4-75.4-172.7166.9-171.80108.2D223 R458 D462D223-K460 IonicContact OD1-NZ 2.74Å; D223-K460 PolarHBondContact OD1-NZ 3.07Å; D223-K460 IonicContact OD2-NZ 2.94Å; D223-K460 PolarHBondContact OD2-NZ 2.81Å; R458-K460 PolarHBondContact O-N 2.93Å; K460-D462 PolarHBondContact O-N 2.82Å
461P37.5Very low37.1Very low71 Ų71112.5 Ų112.546%0.46161%0.608SS.*PPolyproline II helixtrans-56.8137.4168.1-21.232.2000110.2D465 Y466P461-D465 VanDerWaalsContact CA-OD2 3.32Å; P461-D465 WeakPolarHBondContact CA-OD2 3.34Å; P461-Y466 HydrophobicContact CB-CD2 4.44Å; P461-Y466 HydrophobicContact CB-CE2 3.55Å; P461-Y466 HydrophobicContact CG-CE2 4.05Å; P461-Y466 WeakPolarHBondContact CG-OH 3.22Å
462D41.4Very low37.2Very low88 Ų88115.6 Ų115.647%0.47161%0.605SS.*PPolyproline II helixtrans-73.2157.8164.6-168.512.2000109K460 N464 D465K460-D462 PolarHBondContact O-N 2.82Å; D462-N464 PolarHBondContact O-N 2.7Å; D462-N464 VanDerWaalsContact O-N 3.11Å; D462-N464 PolarHBondContact OD2-ND2 3.08Å; D462-D465 PolarHBondContact N-OD2 2.86Å; D462-D465 PolarHBondContact O-N 3.03Å
463L33.4Very low37.1Very low80 Ų80110.8 Ų110.842%0.41959%0.588SS.*G310 helixtrans-59.4-25.4174.8-152.779.7000111.1Q17 F467Q17-L463 HydrophobicContact CG-CD1 4.43Å; L463-F467 HydrophobicContact CG-CE2 4.25Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 WeakPolarHBondContact O-CE2 3.42Å
464N39.6Very low37.1Very low41 Ų41110.1 Ų110.122%0.21957%0.574CS.*G310 helixtrans-73.5-20.7-179.2-65.9-50.8000114.9L89 R91 D462 Y466L89-N464 PolarHBondContact O-OD1 3.03Å; R91-N464 PolarHBondContact NH2-O 3.33Å; D462-N464 PolarHBondContact O-N 2.7Å; D462-N464 VanDerWaalsContact O-N 3.11Å; D462-N464 PolarHBondContact OD2-ND2 3.08Å; N464-Y466 PolarHBondContact O-N 2.97Å; N464-Y466 VanDerWaalsContact O-N 3.1Å
465D38.4Very low37.1Very low106 Ų106103.4 Ų103.457%0.56755%0.547SS*.G310 helixtrans-71.7-2.4-174.4-63.7-26.5000113.7P461 D462P461-D465 VanDerWaalsContact CA-OD2 3.32Å; P461-D465 WeakPolarHBondContact CA-OD2 3.34Å; D462-D465 PolarHBondContact N-OD2 2.86Å; D462-D465 PolarHBondContact O-N 3.03Å
466Y37.5Very low37.2Very low94 Ų94106.8 Ų106.837%0.36954%0.538SS..G310 helixtrans-132.411.7-165.7-67.7-47.1000116.5P461 N464P461-Y466 HydrophobicContact CB-CD2 4.44Å; P461-Y466 HydrophobicContact CB-CE2 3.55Å; P461-Y466 HydrophobicContact CG-CE2 4.05Å; P461-Y466 WeakPolarHBondContact CG-OH 3.22Å; N464-Y466 PolarHBondContact O-N 2.97Å; N464-Y466 VanDerWaalsContact O-N 3.1Å
467F38.5Very low37.6Very low29 Ų29101.7 Ų101.713%0.12751%0.508CS..  trans-113.40178.7-71.9-77.9000113.4L21 K56 P57 I58 L89 R91 L463L21-F467 HydrophobicContact CD2-CE1 3.75Å; L21-F467 HydrophobicContact CD2-CZ 4.02Å; K56-F467 PolarHBondContact NZ-OXT 3.34Å; P57-F467 HydrophobicContact CB-CE1 4.02Å; I58-F467 HydrophobicContact CB-CD1 3.85Å; I58-F467 HydrophobicContact CB-CE1 4.15Å; I58-F467 HydrophobicContact CG2-CD1 4.39Å; L89-F467 HydrophobicContact CD1-CB 4.11Å; L89-F467 HydrophobicContact CD1-CD1 3.77Å; L89-F467 HydrophobicContact CD1-CD2 4.06Å; L89-F467 HydrophobicContact CD1-CE1 4.13Å; L89-F467 HydrophobicContact CD1-CE2 4.42Å; L89-F467 HydrophobicContact CD1-CG 3.71Å; L89-F467 HydrophobicContact CD1-CZ 4.45Å; L89-F467 HydrophobicContact CD2-CD1 4.45Å; L89-F467 HydrophobicContact CD2-CD2 3.49Å; L89-F467 VanDerWaalsContact CD2-CD2 3.49Å; L89-F467 HydrophobicContact CD2-CE1 4.34Å; L89-F467 HydrophobicContact CD2-CE2 3.37Å; L89-F467 HydrophobicContact CD2-CG 4.04Å; L89-F467 HydrophobicContact CD2-CZ 3.83Å; L89-F467 HydrophobicContact CG-CD2 4.38Å; R91-F467 PolarHBondContact NH1-O 3.32Å; R91-F467 PolarHBondContact NH2-O 3.08Å; L463-F467 HydrophobicContact CG-CE2 4.25Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 WeakPolarHBondContact O-CE2 3.42Å

Retrieved 467 of 467 residues in 200.8 ms (Link to these results)

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