A0A060W7N9_ONCMY Loading...

Sec1 family domain-containing protein 1

Plays a role in SNARE-pin assembly and Golgi-to-ER retrograde transport via its interaction with COG4. Involved in vesicular transport between the endoplasmic reticulum and the Golgi.

AlphaFold DB , UniProt , Accession A0A060W7N9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene scfd1, Length 634 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
1M48.5Very low85.6Confident238 Ų23855.3 Ų55.3100%1.17232%0.323SS*.  0144.40-74-170.2-83.200108
2A66.2Low86.3Confident57 Ų5752.8 Ų52.847%0.47131%0.314SS..PPolyproline II helixtrans-71.7141.2174.900000109.4R610A2-R610 PolarHBondContact O-NH1 3.41Å
3A79.8Confident87Confident48 Ų4848.7 Ų48.740%0.39729%0.29SS..PPolyproline II helixtrans-57.5141.2-177.400000112.5E7 K8A3-E7 WeakPolarHBondContact CA-OE2 3.49Å; A3-E7 HydrophobicContact CB-CB 4.27Å; A3-E7 WeakPolarHBondContact CB-OE2 3.47Å; A3-K8 HydrophobicContact CB-CG 4.22Å
4S91Very high87.5Confident22 Ų2250.1 Ų50.115%0.15429%0.29CS..PPolyproline II helixtrans-66.3163.317783.70000111.2R6 E7 K8 D148S4-R6 PolarHBondContact O-N 3.35Å; S4-R6 PolarHBondContact OG-N 3.28Å; S4-E7 PolarHBondContact N-OE2 3.07Å; S4-E7 PolarHBondContact O-N 3.12Å; S4-E7 WeakPolarHBondContact OG-CG 3.2Å; S4-E7 PolarHBondContact OG-N 3.25Å; S4-K8 WeakPolarHBondContact O-CG 3.32Å; S4-K8 PolarHBondContact O-N 3.3Å; S4-D148 WeakPolarHBondContact CB-O 3.49Å; S4-D148 PolarHBondContact OG-OD1 3.29Å
5V91.1Very high87.9Confident3 Ų351.1 Ų51.12%0.01829%0.287CS..Hα-helixtrans-65.7-34.6176.5660000111.2K8 Q9 F143 T145 D148 F190 L612V5-K8 PolarHBondContact O-N 3.23Å; V5-Q9 WeakPolarHBondContact O-CB 3.12Å; V5-Q9 PolarHBondContact O-N 2.92Å; V5-F143 HydrophobicContact CG2-CE2 4.17Å; V5-T145 HydrophobicContact CB-CG2 4.48Å; V5-T145 HydrophobicContact CG1-CG2 3.73Å; V5-T145 HydrophobicContact CG2-CG2 4.14Å; V5-D148 WeakPolarHBondContact CG1-O 3.36Å; V5-F190 HydrophobicContact CB-CE2 4.43Å; V5-F190 HydrophobicContact CG2-CD2 4.12Å; V5-F190 HydrophobicContact CG2-CE2 3.64Å; V5-F190 HydrophobicContact CG2-CZ 4.43Å; V5-L612 HydrophobicContact CB-CD1 3.78Å; V5-L612 HydrophobicContact CG1-CD1 3.51Å; V5-L612 HydrophobicContact CG1-CG 4.38Å
6R94.3Very high88.4Confident20 Ų2047.9 Ų47.98%0.07527%0.269CS..Hα-helixtrans-61.8-46.8174.7-171.5-173.4-175.5150.36.7111.4S4 K8 Q9 A10 P48 L49 L146S4-R6 PolarHBondContact O-N 3.35Å; S4-R6 PolarHBondContact OG-N 3.28Å; R6-K8 VanDerWaalsContact C-N 3.35Å; R6-K8 PolarHBondContact O-N 3.25Å; R6-Q9 PolarHBondContact O-N 2.9Å; R6-A10 VanDerWaalsContact O-CB 3.27Å; R6-A10 WeakPolarHBondContact O-CB 3.32Å; R6-A10 PolarHBondContact O-N 3.23Å; R6-P48 PolarHBondContact NH2-O 3.26Å; R6-L49 HydrophobicContact CG-CD2 3.48Å; R6-L49 VanDerWaalsContact CG-CD2 3.48Å; R6-L146 PolarHBondContact NH1-O 2.9Å
7E93.5Very high88.8Confident110 Ų11045.1 Ų45.151%0.51425%0.253SS..Hα-helixtrans-61.3-42.2175.8-73.6174.5156.600111.8A3 S4 A11A3-E7 WeakPolarHBondContact CA-OE2 3.49Å; A3-E7 HydrophobicContact CB-CB 4.27Å; A3-E7 WeakPolarHBondContact CB-OE2 3.47Å; S4-E7 PolarHBondContact N-OE2 3.07Å; S4-E7 PolarHBondContact O-N 3.12Å; S4-E7 WeakPolarHBondContact OG-CG 3.2Å; S4-E7 PolarHBondContact OG-N 3.25Å; E7-A11 VanDerWaalsContact O-CB 3.23Å; E7-A11 WeakPolarHBondContact O-CB 3.29Å; E7-A11 PolarHBondContact O-N 3.48Å
8K93.1Very high89Confident39 Ų3945.1 Ų45.117%0.1725%0.253CS..Hα-helixtrans-63.9-44.8176.5-71.6177.6-179.6-176.70111.9A3 S4 V5 R6 A11 A12 T193 L194A3-K8 HydrophobicContact CB-CG 4.22Å; S4-K8 WeakPolarHBondContact O-CG 3.32Å; S4-K8 PolarHBondContact O-N 3.3Å; V5-K8 PolarHBondContact O-N 3.23Å; R6-K8 VanDerWaalsContact C-N 3.35Å; R6-K8 PolarHBondContact O-N 3.25Å; K8-A11 PolarHBondContact O-N 3.04Å; K8-A12 PolarHBondContact O-N 2.96Å; K8-T193 HydrophobicContact CB-CG2 4.26Å; K8-L194 HydrophobicContact CD-CD1 4.35Å; K8-L194 PolarHBondContact NZ-O 3.22Å
9Q95.6Very high89.3Confident0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-65.1-46.4177.9-165.7178.222.300111.5V5 R6 A11 A12 L13 L49 L141 F143 T145 T193V5-Q9 WeakPolarHBondContact O-CB 3.12Å; V5-Q9 PolarHBondContact O-N 2.92Å; R6-Q9 PolarHBondContact O-N 2.9Å; Q9-A11 VanDerWaalsContact C-N 3.31Å; Q9-A11 PolarHBondContact O-N 2.58Å; Q9-A12 WeakPolarHBondContact O-CB 3.48Å; Q9-A12 PolarHBondContact O-N 3.44Å; Q9-L13 PolarHBondContact O-N 2.84Å; Q9-L49 HydrophobicContact CB-CD1 4.14Å; Q9-L49 HydrophobicContact CG-CD1 3.76Å; Q9-L141 HydrophobicContact CG-CD2 4.02Å; Q9-F143 HydrophobicContact CB-CE2 4.34Å; Q9-F143 HydrophobicContact CB-CZ 4.34Å; Q9-F143 VanDerWaalsContact CD-CE2 3.44Å; Q9-F143 HydrophobicContact CG-CE2 4.12Å; Q9-F143 HydrophobicContact CG-CZ 4.03Å; Q9-F143 PolarHBondContact NE2-O 3.06Å; Q9-T145 PolarHBondContact OE1-OG1 3.41Å; Q9-T193 HydrophobicContact CB-CG2 4.41Å
10A95.1Very high89.4Confident14 Ų1442.8 Ų42.812%0.11624%0.238CC..Hα-helixtrans-61.3-39.3175.900000111.7R6 L13 K14 L49R6-A10 VanDerWaalsContact O-CB 3.27Å; R6-A10 WeakPolarHBondContact O-CB 3.32Å; R6-A10 PolarHBondContact O-N 3.23Å; A10-L13 PolarHBondContact O-N 3.36Å; A10-K14 WeakPolarHBondContact O-CB 3.27Å; A10-K14 VanDerWaalsContact O-CG 3.26Å; A10-K14 WeakPolarHBondContact O-CG 3.43Å; A10-K14 PolarHBondContact O-N 2.84Å; A10-L49 HydrophobicContact CB-CB 4.47Å
11A93.6Very high89.3Confident57 Ų5743.7 Ų43.747%0.47125%0.245SC..Hα-helixtrans-64.4-39.6175.400000112.4E7 K8 Q9 K14 R15E7-A11 VanDerWaalsContact O-CB 3.23Å; E7-A11 WeakPolarHBondContact O-CB 3.29Å; E7-A11 PolarHBondContact O-N 3.48Å; K8-A11 PolarHBondContact O-N 3.04Å; Q9-A11 VanDerWaalsContact C-N 3.31Å; Q9-A11 PolarHBondContact O-N 2.58Å; A11-K14 PolarHBondContact O-N 3.48Å; A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 PolarHBondContact O-N 2.89Å
12A93.9Very high90.8Very high25 Ų2536.7 Ų36.721%0.20722%0.219CC..Hα-helixtrans-63.6-4517500000111.8K8 Q9 K14 R15 M16 L141K8-A12 PolarHBondContact O-N 2.96Å; Q9-A12 WeakPolarHBondContact O-CB 3.48Å; Q9-A12 PolarHBondContact O-N 3.44Å; A12-K14 PolarHBondContact O-N 2.96Å; A12-R15 WeakPolarHBondContact O-CB 3.27Å; A12-R15 PolarHBondContact O-N 3.47Å; A12-M16 PolarHBondContact O-N 3Å; A12-L141 HydrophobicContact CB-CD1 4.17Å; A12-L141 HydrophobicContact CB-CD2 3.71Å
13L95.9Very high90.9Very high0 Ų037.8 Ų37.80%022%0.221CC..Hα-helixtrans-61.1-43.4172.9-71173.6000111.8Q9 A10 R15 M16 L17 I45 I46 L49 L50 F81 L141Q9-L13 PolarHBondContact O-N 2.84Å; A10-L13 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.5Å; L13-M16 HydrophobicContact CD2-CE 4.18Å; L13-M16 WeakPolarHBondContact O-CB 3.47Å; L13-M16 PolarHBondContact O-N 3.22Å; L13-M16 VanDerWaalsContact O-N 3.17Å; L13-L17 WeakPolarHBondContact O-CB 3.15Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.91Å; L13-I45 HydrophobicContact CD1-CG2 4.28Å; L13-I45 HydrophobicContact CD2-CG2 4.49Å; L13-I46 HydrophobicContact CD1-CG1 4.15Å; L13-I46 HydrophobicContact CD2-CG1 4.09Å; L13-L49 HydrophobicContact CD1-CB 4.33Å; L13-L49 HydrophobicContact CD1-CD1 3.62Å; L13-L50 HydrophobicContact CB-CD1 4.16Å; L13-L50 HydrophobicContact CD1-CD1 4.48Å; L13-F81 HydrophobicContact CD2-CE1 3.91Å; L13-F81 HydrophobicContact CD2-CE2 4.27Å; L13-F81 HydrophobicContact CD2-CZ 3.74Å; L13-L141 HydrophobicContact CD2-CD1 3.56Å; L13-L141 HydrophobicContact CG-CD1 3.94Å
14K94.1Very high90.1Very high69 Ų6942.3 Ų42.330%0.324%0.238SC..Hα-helixtrans-62.7-38.4177.5-72.8178.9-178.8-171.60111.5A10 A11 A12 N18 L50 E54 M58A10-K14 WeakPolarHBondContact O-CB 3.27Å; A10-K14 VanDerWaalsContact O-CG 3.26Å; A10-K14 WeakPolarHBondContact O-CG 3.43Å; A10-K14 PolarHBondContact O-N 2.84Å; A11-K14 PolarHBondContact O-N 3.48Å; A12-K14 PolarHBondContact O-N 2.96Å; K14-N18 WeakPolarHBondContact O-CB 3.12Å; K14-N18 PolarHBondContact O-N 3.22Å; K14-N18 VanDerWaalsContact O-N 3.09Å; K14-L50 HydrophobicContact CD-CD2 4.32Å; K14-L50 HydrophobicContact CG-CD2 4.07Å; K14-E54 IonicContact NZ-OE1 3.3Å; K14-E54 PolarHBondContact NZ-OE1 3.18Å; K14-M58 HydrophobicContact CB-CE 3.99Å; K14-M58 HydrophobicContact CB-SD 4.35Å; K14-M58 HydrophobicContact CG-CE 4.17Å; K14-M58 HydrophobicContact CG-SD 3.85Å; K14-M58 VanDerWaalsContact O-CE 3.28Å; K14-M58 WeakPolarHBondContact O-CE 3.46Å
15R93.6Very high88.4Confident64 Ų6451.4 Ų51.424%0.24228%0.275CS..Hα-helixtrans-62.3-46172.3-169.2-179.794161.47.9111.4A11 A12 L13 N18 N20 T21 N235A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 PolarHBondContact O-N 2.89Å; A12-R15 WeakPolarHBondContact O-CB 3.27Å; A12-R15 PolarHBondContact O-N 3.47Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.5Å; R15-N18 CarbonylContact O-C 3.58Å; R15-N18 PolarHBondContact O-N 3.11Å; R15-N20 WeakPolarHBondContact O-CA 3.31Å; R15-N20 PolarHBondContact O-N 2.95Å; R15-T21 PolarHBondContact O-N 3.07Å; R15-N235 PolarHBondContact NH1-OD1 3.39Å; R15-N235 VanDerWaalsContact NH1-OD1 3.09Å
16M95.6Very high86.4Confident0 Ų058.1 Ų58.10%031%0.311CS..Hα-helixtrans-59.4-52.1177.5-179.8-156.169.800111.5A12 L13 N18 F19 N20 I79 F81 N107 Q139A12-M16 PolarHBondContact O-N 3Å; L13-M16 HydrophobicContact CD2-CE 4.18Å; L13-M16 WeakPolarHBondContact O-CB 3.47Å; L13-M16 PolarHBondContact O-N 3.22Å; L13-M16 VanDerWaalsContact O-N 3.17Å; M16-N18 PolarHBondContact O-N 3.47Å; M16-N18 VanDerWaalsContact O-N 3.13Å; M16-F19 PolarHBondContact O-N 3.38Å; M16-N20 PolarHBondContact O-N 3.38Å; M16-I79 HydrophobicContact CE-CG2 4.41Å; M16-F81 HydrophobicContact CE-CB 3.98Å; M16-F81 HydrophobicContact CE-CD2 4.2Å; M16-F81 HydrophobicContact CE-CG 4Å; M16-F81 HydrophobicContact SD-CB 3.84Å; M16-F81 HydrophobicContact SD-CD2 3.3Å; M16-F81 WeakPolarHBondContact SD-CD2 3.39Å; M16-F81 HydrophobicContact SD-CE2 3.94Å; M16-F81 HydrophobicContact SD-CG 3.68Å; M16-N107 HydrophobicContact CG-CB 3.88Å; M16-N107 VanDerWaalsContact CG-CG 3.46Å; M16-N107 WeakPolarHBondContact CG-OD1 3.4Å; M16-N107 HydrophobicContact SD-CB 3.78Å; M16-Q139 HydrophobicContact CG-CG 4.36Å; M16-Q139 HydrophobicContact SD-CG 4.23Å
17L95.1Very high84.1Confident0 Ų062.6 Ų62.60%034%0.34CS..Hα-helixtrans-60.5-23.4177.9-67.9173.5000112.1L13 F19 K34 L36 L50 L55 M58 I60 I79L13-L17 WeakPolarHBondContact O-CB 3.15Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.9Å; L17-K34 WeakPolarHBondContact O-CE 3.47Å; L17-K34 PolarHBondContact O-NZ 2.69Å; L17-L36 HydrophobicContact CD2-CD1 3.91Å; L17-L36 HydrophobicContact CD2-CD2 4.13Å; L17-L50 HydrophobicContact CD1-CD1 3.54Å; L17-L55 HydrophobicContact CD1-CD2 3.65Å; L17-M58 HydrophobicContact CB-CE 3.6Å; L17-M58 HydrophobicContact CB-SD 4.41Å; L17-M58 HydrophobicContact CD1-CE 4.27Å; L17-M58 HydrophobicContact CD1-SD 4.03Å; L17-I60 HydrophobicContact CD2-CD1 3.91Å; L17-I60 HydrophobicContact CD2-CG1 4.33Å; L17-I79 WeakPolarHBondContact O-CD1 3.48Å
18N93.1Very high81.9Confident46 Ų4662.6 Ų62.625%0.24636%0.36CS..THydrogen-bonded Turntrans-92.942.2171.5-164.845.5000112.6K14 R15 M16 N20 T21K14-N18 WeakPolarHBondContact O-CB 3.12Å; K14-N18 PolarHBondContact O-N 3.22Å; K14-N18 VanDerWaalsContact O-N 3.09Å; R15-N18 CarbonylContact O-C 3.58Å; R15-N18 PolarHBondContact O-N 3.11Å; M16-N18 PolarHBondContact O-N 3.47Å; M16-N18 VanDerWaalsContact O-N 3.13Å; N18-N20 PolarHBondContact O-N 3.1Å; N18-T21 PolarHBondContact ND2-O 2.97Å; N18-T21 PolarHBondContact ND2-OG1 3.19Å; N18-T21 PolarHBondContact O-N 3.36Å; N18-T21 PolarHBondContact O-OG1 2.72Å
19F93.5Very high80.2Confident28 Ų2864.3 Ų64.312%0.12338%0.381CS..THydrogen-bonded Turntrans54.136.5178.8-54.9-63.1000114.1M16 L17 T21 V32 K34 P77 I79 Y105 K135M16-F19 PolarHBondContact O-N 3.38Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.9Å; F19-T21 PolarHBondContact O-N 3.46Å; F19-V32 HydrophobicContact CE2-CB 4.14Å; F19-V32 HydrophobicContact CE2-CG1 4.19Å; F19-V32 HydrophobicContact CZ-CG1 4.18Å; F19-K34 HydrophobicContact CE1-CD 4.06Å; F19-K34 HydrophobicContact CE2-CD 4.22Å; F19-K34 HydrophobicContact CZ-CB 4.3Å; F19-K34 HydrophobicContact CZ-CD 3.7Å; F19-P77 HydrophobicContact CE1-CB 4.17Å; F19-P77 HydrophobicContact CE1-CG 4.38Å; F19-P77 HydrophobicContact CZ-CB 4.28Å; F19-P77 HydrophobicContact CZ-CG 4.01Å; F19-I79 HydrophobicContact CD1-CD1 3.93Å; F19-I79 HydrophobicContact CD1-CG1 4.15Å; F19-I79 HydrophobicContact CE1-CD1 3.99Å; F19-I79 HydrophobicContact CE1-CG1 4.03Å; F19-Y105 HydrophobicContact CB-CD1 4.15Å; F19-Y105 HydrophobicContact CB-CE1 3.77Å; F19-Y105 AromaticContact CD1-CD1 3.66Å; F19-Y105 HydrophobicContact CD1-CD1 3.66Å; F19-Y105 AromaticContact CD1-CD2 3.71Å; F19-Y105 HydrophobicContact CD1-CD2 3.71Å; F19-Y105 AromaticContact CD1-CE1 3.47Å; F19-Y105 HydrophobicContact CD1-CE1 3.47Å; F19-Y105 VanDerWaalsContact CD1-CE1 3.47Å; F19-Y105 AromaticContact CD1-CE2 3.51Å; F19-Y105 HydrophobicContact CD1-CE2 3.51Å; F19-Y105 AromaticContact CD1-CG 3.78Å; F19-Y105 HydrophobicContact CD1-CG 3.78Å; F19-Y105 AromaticContact CD1-CZ 3.38Å; F19-Y105 AromaticContact CE1-CD2 3.8Å; F19-Y105 HydrophobicContact CE1-CD2 3.8Å; F19-Y105 HydrophobicContact CE1-CE1 4.32Å; F19-Y105 AromaticContact CE1-CE2 3.51Å; F19-Y105 HydrophobicContact CE1-CE2 3.51Å; F19-Y105 HydrophobicContact CE1-CG 4.32Å; F19-Y105 AromaticContact CE1-CZ 3.79Å; F19-Y105 HydrophobicContact CG-CD1 4.35Å; F19-Y105 AromaticContact CG-CE1 3.91Å; F19-Y105 HydrophobicContact CG-CE1 3.91Å; F19-Y105 AromaticContact CG-CZ 4Å; F19-K135 PolarHBondContact O-NZ 3.03Å
20N92Very high78.5Confident15 Ų1573 Ų738%0.0842%0.421CS..THydrogen-bonded Turntrans58.729.4-174.9-49.295000113.9R15 M16 N18 N107 F137 Q139R15-N20 WeakPolarHBondContact O-CA 3.31Å; R15-N20 PolarHBondContact O-N 2.95Å; M16-N20 PolarHBondContact O-N 3.38Å; N18-N20 PolarHBondContact O-N 3.1Å; N20-N107 PolarHBondContact ND2-OD1 3.19Å; N20-N107 PolarHBondContact OD1-OD1 2.7Å; N20-F137 HydrophobicContact CB-CD1 4.41Å; N20-F137 HydrophobicContact CB-CD2 4.22Å; N20-F137 HydrophobicContact CB-CE1 4.14Å; N20-F137 HydrophobicContact CB-CE2 3.98Å; N20-F137 HydrophobicContact CB-CG 4.46Å; N20-F137 HydrophobicContact CB-CZ 3.92Å; N20-Q139 PolarHBondContact ND2-NE2 3.41Å
21T87.6Confident77.2Confident62 Ų6275.3 Ų75.338%0.3844%0.435SS..SBendtrans-113.4145.9175.267.10000110.7R15 N18 F19R15-T21 PolarHBondContact O-N 3.07Å; N18-T21 PolarHBondContact ND2-O 2.97Å; N18-T21 PolarHBondContact ND2-OG1 3.19Å; N18-T21 PolarHBondContact O-N 3.36Å; N18-T21 PolarHBondContact O-OG1 2.72Å; F19-T21 PolarHBondContact O-N 3.46Å
22S79.2Confident76.8Confident91 Ų9176.6 Ų76.664%0.63644%0.437SS*.PPolyproline II helixtrans-61.3129.8176.7-64.70000110L24S22-L24 PolarHBondContact O-N 2.73Å
23P68.5Low76.8Confident80 Ų8082.4 Ų82.452%0.51945%0.454SS..PPolyproline II helixtrans-62.5123.4176.923.3-30.4000109.5K25P23-K25 PolarHBondContact O-N 3.48Å
24L63Low76.7Confident144 Ų14482.7 Ų82.775%0.75446%0.455SS*.PPolyproline II helixtrans-66.6123.3177.9-69.3166.7000108.9S22 N26S22-L24 PolarHBondContact O-N 2.73Å; L24-N26 PolarHBondContact O-N 2.81Å
25K56Low76.9Confident213 Ų21379.5 Ų79.593%0.92644%0.441SS*.SBendtrans-67.7-12.9-177.8-72.3-174.7176.8-178.50114.2P23P23-K25 PolarHBondContact O-N 3.48Å
26N48.1Very low77.1Confident143 Ų14376.4 Ų76.477%0.76543%0.43SS*.SBendtrans-144.9111178.3-92.2-15.8000107.5L24L24-N26 PolarHBondContact O-N 2.81Å
27T46.2Very low77.3Confident114 Ų11476.4 Ų76.470%0.69943%0.43SS*.  167.4146.4127.134.90000111A29T27-A29 PolarHBondContact O-N 3.17Å
28A46.8Very low77.4Confident111 Ų11177.3 Ų77.392%0.91743%0.433SS*.  trans-51.151.2159.600000114.8
29A57.2Low77.6Confident74 Ų7475.5 Ų75.561%0.61242%0.423SS*.PPolyproline II helixtrans-81.4125.4165.800000107.5T27T27-A29 PolarHBondContact O-N 3.17Å
30E61.2Low77.8Confident182 Ų18280.1 Ų80.185%0.8544%0.44SS*.PPolyproline II helixtrans-57.2128.6174.5-71.4-176.6160.700109.1V32E30-V32 PolarHBondContact O-N 3.4Å
31P68.1Low78.1Confident63 Ų6381.6 Ų81.641%0.40945%0.446SS..PPolyproline II helixtrans-63.1124.1179.224.6-31.4000109W33P31-W33 HydrophobicContact CG-CH2 4.25Å; P31-W33 HydrophobicContact CG-CZ3 4.44Å; P31-W33 PolarHBondContact O-N 2.88Å
32V84.6Confident78.5Confident84 Ų8478.7 Ų78.751%0.50943%0.428SS..PPolyproline II helixtrans-65.5117.8170.5179.50000107.8F19 E30 P77F19-V32 HydrophobicContact CE2-CB 4.14Å; F19-V32 HydrophobicContact CE2-CG1 4.19Å; F19-V32 HydrophobicContact CZ-CG1 4.18Å; E30-V32 PolarHBondContact O-N 3.4Å; V32-P77 HydrophobicContact CG1-CG 4.13Å
33W92.6Very high79.4Confident148 Ų14876.8 Ų76.856%0.56141%0.409SS*.PPolyproline II helixtrans-65.5137.2175.9-58121.2000110.5P31 G59 T61 P77P31-W33 HydrophobicContact CG-CH2 4.25Å; P31-W33 HydrophobicContact CG-CZ3 4.44Å; P31-W33 PolarHBondContact O-N 2.88Å; W33-G59 WeakPolarHBondContact CA-O 3.41Å; W33-T61 HydrophobicContact CB-CG2 3.88Å; W33-T61 HydrophobicContact CD2-CG2 3.78Å; W33-T61 HydrophobicContact CE3-CG2 3.34Å; W33-T61 HydrophobicContact CG-CG2 4.03Å; W33-T61 HydrophobicContact CZ3-CG2 4.14Å; W33-P77 WeakPolarHBondContact O-CD 3.46Å; W33-P77 WeakPolarHBondContact O-CG 3.37Å
34K95.3Very high80.7Confident6 Ų673.6 Ų73.63%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-153.6156.2-172.348.9-172.5168.2-151.60111.3L17 F19 M58 G59 I60 T61 P77 I79L17-K34 WeakPolarHBondContact O-CE 3.47Å; L17-K34 PolarHBondContact O-NZ 2.69Å; F19-K34 HydrophobicContact CE1-CD 4.06Å; F19-K34 HydrophobicContact CE2-CD 4.22Å; F19-K34 HydrophobicContact CZ-CB 4.3Å; F19-K34 HydrophobicContact CZ-CD 3.7Å; K34-M58 WeakPolarHBondContact CE-O 3.26Å; K34-M58 PolarHBondContact NZ-O 3.01Å; K34-G59 WeakPolarHBondContact CG-O 3.47Å; K34-G59 PolarHBondContact N-O 2.82Å; K34-I60 HydrophobicContact CD-CD1 3.91Å; K34-I60 HydrophobicContact CG-CD1 3.69Å; K34-I60 WeakPolarHBondContact O-CA 3.35Å; K34-T61 PolarHBondContact O-N 3.46Å; K34-T61 PolarHBondContact O-OG1 3.37Å; K34-P77 VanDerWaalsContact CA-O 3.31Å; K34-P77 WeakPolarHBondContact CA-O 3.43Å; K34-P77 HydrophobicContact CB-CG 4.05Å; K34-P77 WeakPolarHBondContact CB-O 3.37Å; K34-I79 HydrophobicContact CD-CD1 3.73Å; K34-I79 HydrophobicContact CD-CG1 4.44Å
35V97.4Very high82.4Confident1 Ų166.9 Ų66.91%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-100.6137175.2-174.70000109.4I37 L62 L64 I73 V76 P77 A78 I79 Y101V35-I37 HydrophobicContact CG1-CD1 3.58Å; V35-I37 HydrophobicContact CG1-CG1 4.29Å; V35-L62 WeakPolarHBondContact CA-O 3.48Å; V35-L62 HydrophobicContact CG1-CB 4.2Å; V35-L62 HydrophobicContact CG2-CB 4.48Å; V35-L64 HydrophobicContact CG1-CD1 4.41Å; V35-I73 HydrophobicContact CG2-CD1 4.15Å; V35-V76 HydrophobicContact CG2-CB 4.48Å; V35-V76 HydrophobicContact CG2-CG1 3.81Å; V35-P77 PolarHBondContact N-O 3.14Å; V35-A78 HydrophobicContact CB-CB 4.47Å; V35-A78 CarbonylContact O-C 3.59Å; V35-A78 WeakPolarHBondContact O-CA 3.25Å; V35-I79 PolarHBondContact O-N 3.1Å; V35-Y101 HydrophobicContact CB-CE1 4.31Å; V35-Y101 HydrophobicContact CG1-CE1 4.29Å; V35-Y101 HydrophobicContact CG2-CE1 4.25Å
36L98.4Very high84.3Confident0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-101.5120.7171.2176.659.9000109.9L17 Y38 I46 I60 L62 H63 L64 I79 F81L17-L36 HydrophobicContact CD2-CD1 3.91Å; L17-L36 HydrophobicContact CD2-CD2 4.13Å; L36-Y38 HydrophobicContact CD1-CD1 4.44Å; L36-Y38 HydrophobicContact CD2-CD1 3.75Å; L36-Y38 HydrophobicContact CD2-CE1 3.94Å; L36-Y38 HydrophobicContact CG-CD1 3.75Å; L36-Y38 HydrophobicContact CG-CE1 4.24Å; L36-I46 HydrophobicContact CD2-CD1 4Å; L36-I60 HydrophobicContact CB-CD1 4.02Å; L36-I60 HydrophobicContact CB-CG2 3.7Å; L36-L62 PolarHBondContact N-O 3.16Å; L36-H63 HydrophobicContact CB-CB 4.05Å; L36-H63 HydrophobicContact CD2-CB 4.25Å; L36-H63 HydrophobicContact CG-CB 4.41Å; L36-H63 CarbonylContact O-C 3.51Å; L36-H63 WeakPolarHBondContact O-CA 3.29Å; L36-L64 PolarHBondContact O-N 2.96Å; L36-I79 HydrophobicContact CD1-CB 4.49Å; L36-I79 HydrophobicContact CD1-CG2 4.31Å; L36-F81 HydrophobicContact CD1-CB 4.46Å
37I98.6Very high86.4Confident0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-110.3122.1173.7-50.9-58.1000108.1V35 L64 L66 A78 I79 Y80 F81 Y101V35-I37 HydrophobicContact CG1-CD1 3.58Å; V35-I37 HydrophobicContact CG1-CG1 4.29Å; I37-L64 WeakPolarHBondContact CA-O 3.45Å; I37-L64 HydrophobicContact CD1-CB 3.93Å; I37-L64 HydrophobicContact CD1-CD1 4.38Å; I37-L66 HydrophobicContact CG2-CB 4.11Å; I37-L66 HydrophobicContact CG2-CD1 3.7Å; I37-A78 HydrophobicContact CG1-CB 4.48Å; I37-I79 PolarHBondContact N-O 3.23Å; I37-Y80 HydrophobicContact CB-CD1 3.94Å; I37-Y80 HydrophobicContact CB-CD2 4.42Å; I37-Y80 HydrophobicContact CB-CE1 4.05Å; I37-Y80 HydrophobicContact CB-CE2 4.49Å; I37-Y80 HydrophobicContact CB-CG 4.14Å; I37-Y80 HydrophobicContact CG1-CE1 4.35Å; I37-Y80 HydrophobicContact CG1-CE2 4.22Å; I37-Y80 HydrophobicContact CG2-CD1 3.86Å; I37-Y80 HydrophobicContact CG2-CE1 3.77Å; I37-Y80 CarbonylContact O-C 3.49Å; I37-Y80 VanDerWaalsContact O-CA 3.26Å; I37-Y80 WeakPolarHBondContact O-CA 3.36Å; I37-F81 PolarHBondContact O-N 3.28Å; I37-Y101 HydrophobicContact CD1-CE2 4.45Å; I37-Y101 VanDerWaalsContact CD1-OH 3.25Å; I37-Y101 WeakPolarHBondContact CD1-OH 3.49Å; I37-Y101 HydrophobicContact CG1-CE2 4.23Å
38Y98.1Very high88.7Confident19 Ų1948 Ų488%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-134.3158.9175.852.7-124.1000111.3L36 Q43 I46 H63 L64 L65 L66 F81L36-Y38 HydrophobicContact CD1-CD1 4.44Å; L36-Y38 HydrophobicContact CD2-CD1 3.75Å; L36-Y38 HydrophobicContact CD2-CE1 3.94Å; L36-Y38 HydrophobicContact CG-CD1 3.75Å; L36-Y38 HydrophobicContact CG-CE1 4.24Å; Y38-Q43 HydrophobicContact CD2-CB 3.76Å; Y38-Q43 HydrophobicContact CD2-CG 4.49Å; Y38-Q43 HydrophobicContact CE2-CB 3.65Å; Y38-Q43 HydrophobicContact CE2-CG 3.88Å; Y38-Q43 HydrophobicContact CG-CB 4.48Å; Y38-I46 HydrophobicContact CD1-CD1 4.27Å; Y38-H63 HydrophobicContact CE1-CB 3.93Å; Y38-H63 PolarHBondContact OH-CD2 3.15Å; Y38-H63 VanDerWaalsContact OH-CD2 3.27Å; Y38-L64 PolarHBondContact N-O 3.03Å; Y38-L64 VanDerWaalsContact N-O 3.11Å; Y38-L65 HydrophobicContact CD2-CD2 3.89Å; Y38-L65 HydrophobicContact CE2-CD2 3.73Å; Y38-L65 HydrophobicContact CE2-CG 4.25Å; Y38-L65 CarbonylContact O-C 3.47Å; Y38-L65 VanDerWaalsContact O-CA 3.24Å; Y38-L65 WeakPolarHBondContact O-CA 3.39Å; Y38-L66 PolarHBondContact O-N 3.28Å; Y38-F81 VanDerWaalsContact CA-O 3.23Å; Y38-F81 WeakPolarHBondContact CA-O 3.38Å; Y38-F81 VanDerWaalsContact CB-O 3.28Å; Y38-F81 WeakPolarHBondContact CB-O 3.43Å
39D98.1Very high90.9Very high7 Ų743.5 Ų43.54%0.03722%0.223CC..  trans-88.5-174.5164.865.41.7000110.2F41 G42 Q43 V82 M83 N88D39-F41 VanDerWaalsContact C-N 3.29Å; D39-F41 PolarHBondContact O-N 3.42Å; D39-F41 PolarHBondContact OD1-N 3.21Å; D39-G42 PolarHBondContact O-N 3.46Å; D39-G42 PolarHBondContact OD1-N 2.86Å; D39-Q43 WeakPolarHBondContact O-CB 3.42Å; D39-Q43 PolarHBondContact O-N 3.28Å; D39-V82 HydrophobicContact CB-CB 4.47Å; D39-V82 HydrophobicContact CB-CG1 4.42Å; D39-M83 WeakPolarHBondContact OD2-CB 3.35Å; D39-M83 PolarHBondContact OD2-N 2.96Å; D39-N88 PolarHBondContact OD2-ND2 2.74Å
40R97.3Very high92.6Very high126 Ų12640.4 Ų40.448%0.47520%0.195SC..Hα-helixtrans-64.5-33.5178.4-67.2-65-172.8178.74.6112.7Q43 D44 L65 Q156R40-Q43 PolarHBondContact O-N 2.93Å; R40-D44 VanDerWaalsContact O-CG 3.26Å; R40-D44 PolarHBondContact O-N 2.99Å; R40-L65 HydrophobicContact CG-CD2 4.43Å; R40-Q156 HydrophobicContact CB-CG 3.74Å
41F97.3Very high94Very high46 Ų4634.2 Ų34.220%0.20218%0.176CC..Hα-helixtrans-65.6-46.9175.8-69.4-94.4000111D39 Q43 D44 I45 M83 I109 Q156D39-F41 VanDerWaalsContact C-N 3.29Å; D39-F41 PolarHBondContact O-N 3.42Å; D39-F41 PolarHBondContact OD1-N 3.21Å; F41-Q43 VanDerWaalsContact C-N 3.31Å; F41-Q43 PolarHBondContact O-N 3.28Å; F41-D44 PolarHBondContact O-N 2.89Å; F41-I45 WeakPolarHBondContact O-CD1 3.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.38Å; F41-I45 PolarHBondContact O-N 2.8Å; F41-I45 VanDerWaalsContact O-N 3.1Å; F41-M83 HydrophobicContact CB-CG 3.59Å; F41-M83 HydrophobicContact CD1-CG 4.12Å; F41-M83 HydrophobicContact CD2-CG 3.86Å; F41-M83 HydrophobicContact CG-CG 3.6Å; F41-I109 HydrophobicContact CB-CD1 3.92Å; F41-Q156 HydrophobicContact CD1-CB 3.92Å; F41-Q156 HydrophobicContact CD1-CG 4.38Å; F41-Q156 HydrophobicContact CD2-CB 4.22Å; F41-Q156 HydrophobicContact CD2-CG 4.31Å; F41-Q156 HydrophobicContact CE1-CB 3.55Å; F41-Q156 HydrophobicContact CE1-CG 4.45Å; F41-Q156 HydrophobicContact CE2-CB 3.86Å; F41-Q156 HydrophobicContact CE2-CG 4.36Å; F41-Q156 HydrophobicContact CG-CB 4.24Å; F41-Q156 HydrophobicContact CG-CG 4.3Å; F41-Q156 HydrophobicContact CZ-CB 3.5Å; F41-Q156 HydrophobicContact CZ-CG 4.43Å
42G97.5Very high95.1Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-62.3-38.2176.300000112.6D39 I45 I46D39-G42 PolarHBondContact O-N 3.46Å; D39-G42 PolarHBondContact OD1-N 2.86Å; G42-I45 PolarHBondContact O-N 3.47Å; G42-I46 WeakPolarHBondContact O-CG1 3.34Å; G42-I46 PolarHBondContact O-N 2.95Å
43Q96.9Very high95.3Very high52 Ų5237.9 Ų37.924%0.24319%0.186CC..Hα-helixtrans-60-47173.3-174.4175.123.600112Y38 D39 R40 F41 I45 I46 S47Y38-Q43 HydrophobicContact CD2-CB 3.76Å; Y38-Q43 HydrophobicContact CD2-CG 4.49Å; Y38-Q43 HydrophobicContact CE2-CB 3.65Å; Y38-Q43 HydrophobicContact CE2-CG 3.88Å; Y38-Q43 HydrophobicContact CG-CB 4.48Å; D39-Q43 WeakPolarHBondContact O-CB 3.42Å; D39-Q43 PolarHBondContact O-N 3.28Å; R40-Q43 PolarHBondContact O-N 2.93Å; F41-Q43 VanDerWaalsContact C-N 3.31Å; F41-Q43 PolarHBondContact O-N 3.28Å; Q43-I45 VanDerWaalsContact C-N 3.26Å; Q43-I45 PolarHBondContact O-N 3.09Å; Q43-I46 PolarHBondContact O-N 3.45Å; Q43-S47 VanDerWaalsContact O-CB 3.3Å; Q43-S47 WeakPolarHBondContact O-CB 3.42Å; Q43-S47 PolarHBondContact O-N 2.96Å; Q43-S47 PolarHBondContact O-OG 3.29Å
44D96.6Very high95.2Very high12 Ų1233.9 Ų33.96%0.06417%0.174CC..Hα-helixtrans-67-28.1-178.3-72.3-1000112.4R40 F41 P48 I144 N155 Q156 L279R40-D44 VanDerWaalsContact O-CG 3.26Å; R40-D44 PolarHBondContact O-N 2.99Å; F41-D44 PolarHBondContact O-N 2.89Å; D44-P48 WeakPolarHBondContact O-CD 3.43Å; D44-I144 HydrophobicContact CB-CD1 3.79Å; D44-N155 HydrophobicContact CB-CB 4.46Å; D44-N155 WeakPolarHBondContact OD2-CB 3.44Å; D44-N155 PolarHBondContact OD2-ND2 2.8Å; D44-Q156 WeakPolarHBondContact OD2-CG 3.27Å; D44-Q156 PolarHBondContact OD2-NE2 3.37Å; D44-L279 HydrophobicContact CB-CD1 3.81Å; D44-L279 WeakPolarHBondContact OD1-CD1 3.38Å
45I97.4Very high95.1Very high4 Ų434 Ų342%0.02118%0.175CC..Hα-helixtrans-77.3-42.6174.6-65.5160.5000111.7L13 F41 G42 Q43 L49 F81 I109 L141 I144L13-I45 HydrophobicContact CD1-CG2 4.28Å; L13-I45 HydrophobicContact CD2-CG2 4.49Å; F41-I45 WeakPolarHBondContact O-CD1 3.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.38Å; F41-I45 PolarHBondContact O-N 2.8Å; F41-I45 VanDerWaalsContact O-N 3.1Å; G42-I45 PolarHBondContact O-N 3.47Å; Q43-I45 VanDerWaalsContact C-N 3.26Å; Q43-I45 PolarHBondContact O-N 3.09Å; I45-L49 WeakPolarHBondContact O-CD1 3.47Å; I45-F81 HydrophobicContact CB-CE1 4.12Å; I45-F81 HydrophobicContact CB-CZ 4.47Å; I45-F81 HydrophobicContact CD1-CE1 4.27Å; I45-F81 HydrophobicContact CD1-CZ 4.14Å; I45-F81 HydrophobicContact CG2-CE1 4.09Å; I45-F81 HydrophobicContact CG2-CZ 4.1Å; I45-I109 HydrophobicContact CD1-CD1 3.99Å; I45-I109 HydrophobicContact CD1-CG1 4.23Å; I45-I109 HydrophobicContact CD1-CG2 3.64Å; I45-L141 VanDerWaalsContact CD1-O 3.31Å; I45-L141 WeakPolarHBondContact CD1-O 3.31Å; I45-I144 HydrophobicContact CG1-CG1 3.96Å
46I95.9Very high94.8Very high6 Ų640.4 Ų40.43%0.03120%0.198CC..Hα-helixtrans-75-42.4-175.8-71.2175.8000111.7L13 L36 Y38 G42 Q43 L49 L50 L55 F81L13-I46 HydrophobicContact CD1-CG1 4.15Å; L13-I46 HydrophobicContact CD2-CG1 4.09Å; L36-I46 HydrophobicContact CD2-CD1 4Å; Y38-I46 HydrophobicContact CD1-CD1 4.27Å; G42-I46 WeakPolarHBondContact O-CG1 3.34Å; G42-I46 PolarHBondContact O-N 2.95Å; Q43-I46 PolarHBondContact O-N 3.45Å; I46-L49 PolarHBondContact O-N 3.37Å; I46-L50 HydrophobicContact CG2-CB 4.24Å; I46-L50 HydrophobicContact CG2-CD1 4.35Å; I46-L50 PolarHBondContact O-N 3.03Å; I46-L55 HydrophobicContact CG2-CD1 4.46Å; I46-L55 HydrophobicContact CG2-CD2 4.38Å; I46-F81 HydrophobicContact CD1-CD1 3.65Å; I46-F81 HydrophobicContact CD1-CE1 4.11Å; I46-F81 HydrophobicContact CG1-CD1 4.06Å; I46-F81 HydrophobicContact CG1-CE1 3.99Å
47S93.4Very high94.4Very high56 Ų5645.2 Ų45.239%0.39222%0.224SC..THydrogen-bonded Turntrans-58.9-36.5-16857.10000115.7Q43 L49Q43-S47 VanDerWaalsContact O-CB 3.3Å; Q43-S47 WeakPolarHBondContact O-CB 3.42Å; Q43-S47 PolarHBondContact O-N 2.96Å; Q43-S47 PolarHBondContact O-OG 3.29Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 2.99Å
48P93.5Very high94Very high12 Ų1247.1 Ų47.18%0.07823%0.234CC..THydrogen-bonded Turntrans-77.3-13.1177.1-16.534.4000113.4R6 D44 I144 L146 L279R6-P48 PolarHBondContact NH2-O 3.26Å; D44-P48 WeakPolarHBondContact O-CD 3.43Å; P48-I144 HydrophobicContact CG-CG2 3.88Å; P48-L146 HydrophobicContact CB-CD2 4.26Å; P48-L146 HydrophobicContact CG-CD2 4.15Å; P48-L279 HydrophobicContact CG-CB 4.32Å; P48-L279 HydrophobicContact CG-CD2 4.49Å
49L93.9Very high93.7Very high16 Ų1646.2 Ų46.28%0.08423%0.23CC..THydrogen-bonded Turntrans-108.4-34-168.2-58.5-179.2000114.1R6 Q9 A10 L13 I45 I46 S47 T145R6-L49 HydrophobicContact CG-CD2 3.48Å; R6-L49 VanDerWaalsContact CG-CD2 3.48Å; Q9-L49 HydrophobicContact CB-CD1 4.14Å; Q9-L49 HydrophobicContact CG-CD1 3.76Å; A10-L49 HydrophobicContact CB-CB 4.47Å; L13-L49 HydrophobicContact CD1-CB 4.33Å; L13-L49 HydrophobicContact CD1-CD1 3.62Å; I45-L49 WeakPolarHBondContact O-CD1 3.47Å; I46-L49 PolarHBondContact O-N 3.37Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 2.99Å; L49-T145 WeakPolarHBondContact CD2-OG1 3.46Å
50L92.6Very high93.6Very high8 Ų846.2 Ų46.24%0.04223%0.23CC..  trans-128.6121.7-174.3-59.3177.5000110.4L13 K14 L17 I46 E54 L55L13-L50 HydrophobicContact CB-CD1 4.16Å; L13-L50 HydrophobicContact CD1-CD1 4.48Å; K14-L50 HydrophobicContact CD-CD2 4.32Å; K14-L50 HydrophobicContact CG-CD2 4.07Å; L17-L50 HydrophobicContact CD1-CD1 3.54Å; I46-L50 HydrophobicContact CG2-CB 4.24Å; I46-L50 HydrophobicContact CG2-CD1 4.35Å; I46-L50 PolarHBondContact O-N 3.03Å; L50-E54 WeakPolarHBondContact CA-OE2 3.35Å; L50-L55 HydrophobicContact CB-CD2 4.12Å; L50-L55 HydrophobicContact CB-CG 4.4Å; L50-L55 HydrophobicContact CD1-CD2 3.9Å
51A90.5Very high93.4Very high53 Ų5343.5 Ų43.544%0.43823%0.227SC..  trans-70.4154.6171.500000110.9K53 E54 L55A51-K53 PolarHBondContact O-N 3.29Å; A51-K53 VanDerWaalsContact O-N 3.15Å; A51-E54 HydrophobicContact CB-CG 4.43Å; A51-E54 PolarHBondContact N-OE2 3.48Å; A51-E54 WeakPolarHBondContact O-CA 3.45Å; A51-E54 WeakPolarHBondContact O-CB 3.37Å; A51-E54 PolarHBondContact O-N 3.16Å; A51-L55 PolarHBondContact O-N 3.41Å
52V90.9Very high93.3Very high92 Ų9245 Ų4556%0.55824%0.237SC*.Hα-helixtrans-55.7-35.2174.5177.50000111.6L55 R56V52-L55 PolarHBondContact O-N 3.42Å; V52-R56 PolarHBondContact O-N 2.98Å
53K89.1Confident93.2Very high131 Ų13148.5 Ų48.557%0.5725%0.253SS*.Hα-helixtrans-58.7-47.8173178.3177.6177.4-172.10111.4A51 L55 R56 D57A51-K53 PolarHBondContact O-N 3.29Å; A51-K53 VanDerWaalsContact O-N 3.15Å; K53-L55 PolarHBondContact O-N 3.39Å; K53-R56 PolarHBondContact O-N 3.24Å; K53-D57 WeakPolarHBondContact O-CB 3.48Å; K53-D57 PolarHBondContact O-N 3.24Å
54E90.5Very high93.2Very high65 Ų6548.6 Ų48.630%0.30426%0.255SS..Hα-helixtrans-64.2-40.4178.7-68.4-179.499.100111.9K14 L50 A51 R56 D57 M58K14-E54 IonicContact NZ-OE1 3.3Å; K14-E54 PolarHBondContact NZ-OE1 3.18Å; L50-E54 WeakPolarHBondContact CA-OE2 3.35Å; A51-E54 HydrophobicContact CB-CG 4.43Å; A51-E54 PolarHBondContact N-OE2 3.48Å; A51-E54 WeakPolarHBondContact O-CA 3.45Å; A51-E54 WeakPolarHBondContact O-CB 3.37Å; A51-E54 PolarHBondContact O-N 3.16Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.93Å; E54-D57 PolarHBondContact O-N 2.73Å; E54-M58 VanDerWaalsContact O-CG 3.24Å; E54-M58 WeakPolarHBondContact O-CG 3.33Å; E54-M58 PolarHBondContact O-N 3.05Å
55L93.1Very high93.3Very high9 Ų950 Ų505%0.04726%0.263CS..Hα-helixtrans-58.4-45.2175.2-66.3179.5000111.4L17 I46 L50 A51 V52 K53 M58 G59 I60L17-L55 HydrophobicContact CD1-CD2 3.65Å; I46-L55 HydrophobicContact CG2-CD1 4.46Å; I46-L55 HydrophobicContact CG2-CD2 4.38Å; L50-L55 HydrophobicContact CB-CD2 4.12Å; L50-L55 HydrophobicContact CB-CG 4.4Å; L50-L55 HydrophobicContact CD1-CD2 3.9Å; A51-L55 PolarHBondContact O-N 3.41Å; V52-L55 PolarHBondContact O-N 3.42Å; K53-L55 PolarHBondContact O-N 3.39Å; L55-M58 WeakPolarHBondContact O-CB 3.48Å; L55-M58 PolarHBondContact O-N 3.22Å; L55-G59 PolarHBondContact O-N 2.81Å; L55-I60 HydrophobicContact CB-CB 4.14Å; L55-I60 HydrophobicContact CB-CG1 4.39Å; L55-I60 VanDerWaalsContact O-CB 3.25Å; L55-I60 WeakPolarHBondContact O-CB 3.34Å; L55-I60 WeakPolarHBondContact O-CG1 3.4Å; L55-I60 PolarHBondContact O-N 3.44Å
56R92.3Very high93.3Very high135 Ų13549.9 Ų49.951%0.50926%0.262SS..Hα-helixtrans-64.6-43.6177.1-178.1-178.759.7-131.2-3.6112.1V52 K53 E54 M58 G59V52-R56 PolarHBondContact O-N 2.98Å; K53-R56 PolarHBondContact O-N 3.24Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.93Å; R56-M58 PolarHBondContact O-N 3.49Å; R56-M58 VanDerWaalsContact O-N 3.15Å; R56-G59 PolarHBondContact O-N 3.38Å
57D89.7Confident93.4Very high100 Ų10053.6 Ų53.654%0.53528%0.279SS..Hα-helixtrans-62.2-21.2177.3-63.9-12.8000111.4K53 E54K53-D57 WeakPolarHBondContact O-CB 3.48Å; K53-D57 PolarHBondContact O-N 3.24Å; E54-D57 PolarHBondContact O-N 2.73Å
58M89.9Confident93.5Very high41 Ų4152.7 Ų52.720%0.20227%0.273CS..THydrogen-bonded Turntrans-90.55173.7-67.8-172.77100114.9K14 L17 K34 E54 L55 R56K14-M58 HydrophobicContact CB-CE 3.99Å; K14-M58 HydrophobicContact CB-SD 4.35Å; K14-M58 HydrophobicContact CG-CE 4.17Å; K14-M58 HydrophobicContact CG-SD 3.85Å; K14-M58 VanDerWaalsContact O-CE 3.28Å; K14-M58 WeakPolarHBondContact O-CE 3.46Å; L17-M58 HydrophobicContact CB-CE 3.6Å; L17-M58 HydrophobicContact CB-SD 4.41Å; L17-M58 HydrophobicContact CD1-CE 4.27Å; L17-M58 HydrophobicContact CD1-SD 4.03Å; K34-M58 WeakPolarHBondContact CE-O 3.26Å; K34-M58 PolarHBondContact NZ-O 3.01Å; E54-M58 VanDerWaalsContact O-CG 3.24Å; E54-M58 WeakPolarHBondContact O-CG 3.33Å; E54-M58 PolarHBondContact O-N 3.05Å; L55-M58 WeakPolarHBondContact O-CB 3.48Å; L55-M58 PolarHBondContact O-N 3.22Å; R56-M58 PolarHBondContact O-N 3.49Å; R56-M58 VanDerWaalsContact O-N 3.15Å
59G92.2Very high93.5Very high0 Ų060 Ų600%031%0.311CS..THydrogen-bonded Turntrans897.6179.100000115.1W33 K34 L55 R56 T61W33-G59 WeakPolarHBondContact CA-O 3.41Å; K34-G59 WeakPolarHBondContact CG-O 3.47Å; K34-G59 PolarHBondContact N-O 2.82Å; L55-G59 PolarHBondContact O-N 2.81Å; R56-G59 PolarHBondContact O-N 3.38Å; G59-T61 PolarHBondContact O-N 3.34Å
60I95.5Very high93.6Very high6 Ų660.3 Ų60.33%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-78.3107.7174.6-53.6-70.2000108.7L17 K34 L36 L55 L62 H63L17-I60 HydrophobicContact CD2-CD1 3.91Å; L17-I60 HydrophobicContact CD2-CG1 4.33Å; K34-I60 HydrophobicContact CD-CD1 3.91Å; K34-I60 HydrophobicContact CG-CD1 3.69Å; K34-I60 WeakPolarHBondContact O-CA 3.35Å; L36-I60 HydrophobicContact CB-CD1 4.02Å; L36-I60 HydrophobicContact CB-CG2 3.7Å; L55-I60 HydrophobicContact CB-CB 4.14Å; L55-I60 HydrophobicContact CB-CG1 4.39Å; L55-I60 VanDerWaalsContact O-CB 3.25Å; L55-I60 WeakPolarHBondContact O-CB 3.34Å; L55-I60 WeakPolarHBondContact O-CG1 3.4Å; L55-I60 PolarHBondContact O-N 3.44Å; I60-L62 WeakPolarHBondContact CG2-O 3.43Å; I60-H63 HydrophobicContact CG2-CB 4.46Å
61T92.6Very high93.6Very high69 Ų6966.5 Ų66.542%0.42334%0.344SS..EExtended strand (participates in β ladder)trans-85.3-37.1179.6540000111.8W33 K34 G59W33-T61 HydrophobicContact CB-CG2 3.88Å; W33-T61 HydrophobicContact CD2-CG2 3.78Å; W33-T61 HydrophobicContact CE3-CG2 3.34Å; W33-T61 HydrophobicContact CG-CG2 4.03Å; W33-T61 HydrophobicContact CZ3-CG2 4.14Å; K34-T61 PolarHBondContact O-N 3.46Å; K34-T61 PolarHBondContact O-OG1 3.37Å; G59-T61 PolarHBondContact O-N 3.34Å
62L94.9Very high93.8Very high78 Ų7867.9 Ų67.941%0.40835%0.349SS..EExtended strand (participates in β ladder)trans-134.7140.8-179.3-66.6175.1000110.1V35 L36 I60 I73V35-L62 WeakPolarHBondContact CA-O 3.48Å; V35-L62 HydrophobicContact CG1-CB 4.2Å; V35-L62 HydrophobicContact CG2-CB 4.48Å; L36-L62 PolarHBondContact N-O 3.16Å; I60-L62 WeakPolarHBondContact CG2-O 3.43Å; L62-I73 HydrophobicContact CD1-CD1 3.8Å
63H96.2Very high94.1Very high74 Ų7465.7 Ų65.734%0.34333%0.333SS..EExtended strand (participates in β ladder)trans-128.4124.3170.353.7-89.6000109.6L36 Y38 I60L36-H63 HydrophobicContact CB-CB 4.05Å; L36-H63 HydrophobicContact CD2-CB 4.25Å; L36-H63 HydrophobicContact CG-CB 4.41Å; L36-H63 CarbonylContact O-C 3.51Å; L36-H63 WeakPolarHBondContact O-CA 3.29Å; Y38-H63 HydrophobicContact CE1-CB 3.93Å; Y38-H63 PolarHBondContact OH-CD2 3.15Å; Y38-H63 VanDerWaalsContact OH-CD2 3.27Å; I60-H63 HydrophobicContact CG2-CB 4.46Å
64L97.1Very high94.2Very high54 Ų5462.9 Ų62.928%0.28333%0.329SS..EExtended strand (participates in β ladder)trans-133.4149.8-169.8-59.6168.5000110.5V35 L36 I37 Y38 R70V35-L64 HydrophobicContact CG1-CD1 4.41Å; L36-L64 PolarHBondContact O-N 2.96Å; I37-L64 WeakPolarHBondContact CA-O 3.45Å; I37-L64 HydrophobicContact CD1-CB 3.93Å; I37-L64 HydrophobicContact CD1-CD1 4.38Å; Y38-L64 PolarHBondContact N-O 3.03Å; Y38-L64 VanDerWaalsContact N-O 3.11Å; L64-R70 HydrophobicContact CB-CG 4.43Å; L64-R70 HydrophobicContact CD1-CG 4.01Å
65L97.9Very high94.3Very high42 Ų4266.5 Ų66.522%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-75.2138.2174.5-73.7164.9000110.3Y38 R40 H67 S68 R70Y38-L65 HydrophobicContact CD2-CD2 3.89Å; Y38-L65 HydrophobicContact CE2-CD2 3.73Å; Y38-L65 HydrophobicContact CE2-CG 4.25Å; Y38-L65 CarbonylContact O-C 3.47Å; Y38-L65 VanDerWaalsContact O-CA 3.24Å; Y38-L65 WeakPolarHBondContact O-CA 3.39Å; R40-L65 HydrophobicContact CG-CD2 4.43Å; L65-H67 PolarHBondContact O-N 3.1Å; L65-H67 VanDerWaalsContact O-N 3.11Å; L65-S68 WeakPolarHBondContact O-CB 3.33Å; L65-S68 PolarHBondContact O-N 2.88Å; L65-S68 PolarHBondContact O-OG 2.99Å; L65-R70 PolarHBondContact O-NH1 3.48Å
66L98.1Very high94.4Very high0 Ų067.4 Ų67.40%036%0.356CS..THydrogen-bonded Turntrans-56.2-29.2-179.8-177.169000113.4I37 Y38 R70 Y80 V82 N88 R91 I92I37-L66 HydrophobicContact CG2-CB 4.11Å; I37-L66 HydrophobicContact CG2-CD1 3.7Å; Y38-L66 PolarHBondContact O-N 3.28Å; L66-R70 VanDerWaalsContact O-CZ 3.26Å; L66-R70 PolarHBondContact O-NH1 3.15Å; L66-R70 PolarHBondContact O-NH2 3.26Å; L66-Y80 HydrophobicContact CD1-CD1 3.87Å; L66-Y80 HydrophobicContact CD1-CE1 3.62Å; L66-V82 HydrophobicContact CB-CG1 4.41Å; L66-V82 HydrophobicContact CD2-CB 4.43Å; L66-V82 HydrophobicContact CD2-CG1 3.96Å; L66-N88 HydrophobicContact CD2-CB 3.57Å; L66-N88 VanDerWaalsContact CD2-CG 3.49Å; L66-N88 WeakPolarHBondContact CD2-OD1 3.37Å; L66-R91 HydrophobicContact CD1-CG 4.08Å; L66-R91 HydrophobicContact CD2-CB 4.3Å; L66-R91 HydrophobicContact CD2-CG 4.47Å; L66-R91 HydrophobicContact CG-CB 4.23Å; L66-R91 HydrophobicContact CG-CG 3.86Å; L66-R91 VanDerWaalsContact O-CG 3.26Å; L66-R91 WeakPolarHBondContact O-CG 3.41Å; L66-R91 PolarHBondContact O-NE 2.93Å; L66-I92 HydrophobicContact CD1-CG1 4.2Å
67H96.8Very high94.7Very high85 Ų8561.4 Ų61.439%0.39433%0.334SS..THydrogen-bonded Turntrans-100.88.3179.7-62.7-54.8000114L65 E87 N88L65-H67 PolarHBondContact O-N 3.1Å; L65-H67 VanDerWaalsContact O-N 3.11Å; H67-E87 IonicContact CD2-OE1 3.52Å; H67-E87 IonicContact CE1-OE1 3.8Å; H67-E87 IonicContact NE2-OE1 3.62Å; H67-N88 PolarHBondContact NE2-OD1 2.73Å
68S96.2Very high95Very high37 Ų3756.6 Ų56.626%0.25931%0.309SS..SBendtrans-76.7156.8168.777.80000111.3L65 R70 R91L65-S68 WeakPolarHBondContact O-CB 3.33Å; L65-S68 PolarHBondContact O-N 2.88Å; L65-S68 PolarHBondContact O-OG 2.99Å; S68-R70 PolarHBondContact O-NH1 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.12Å; S68-R91 PolarHBondContact O-NH2 2.85Å
69D93.9Very high95.5Very high165 Ų16554.7 Ų54.788%0.88230%0.299SS*.  trans-63.7133.3160.5-62.3-41.2000108.4
70R95.8Very high95.8Very high22 Ų2254.7 Ų54.78%0.08330%0.299CS..  trans-138.3130.6-176.3-64.8-171.6-68.4-812.5109.5L64 L65 L66 S68 R91 D95 Y101L64-R70 HydrophobicContact CB-CG 4.43Å; L64-R70 HydrophobicContact CD1-CG 4.01Å; L65-R70 PolarHBondContact O-NH1 3.48Å; L66-R70 VanDerWaalsContact O-CZ 3.26Å; L66-R70 PolarHBondContact O-NH1 3.15Å; L66-R70 PolarHBondContact O-NH2 3.26Å; S68-R70 PolarHBondContact O-NH1 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.12Å; R70-R91 VanDerWaalsContact NH2-NH2 3.18Å; R70-D95 IonicContact CZ-OD2 3.01Å; R70-D95 IonicContact NH2-OD1 2.71Å; R70-D95 PolarHBondContact NH2-OD1 3.05Å; R70-D95 IonicContact NH2-OD2 2.72Å; R70-D95 PolarHBondContact NH2-OD2 2.81Å; R70-Y101 VanDerWaalsContact CD-OH 3.3Å; R70-Y101 WeakPolarHBondContact CD-OH 3.4Å; R70-Y101 PolarHBondContact NE-OH 2.95Å
71D93.3Very high95.9Very high139 Ų13954.4 Ų54.474%0.74330%0.298SS*.  trans-76.5145.3173-63-51.3000110.6
72P94.6Very high96.2Very high81 Ų8151.1 Ų51.153%0.52628%0.278SS..  trans-61135174.2-19.730000112.2L100P72-L100 CarbonylContact C-O 3.25Å; P72-L100 HydrophobicContact CB-CD2 4.07Å; P72-L100 HydrophobicContact CG-CD2 3.76Å
73I95.4Very high96.3Very high47 Ų4748.8 Ų48.824%0.24127%0.265CS..BIsolated β-bridgetrans-128.672.7173.1-47178.7000108V35 L62 D75 V76 L100 Y101V35-I73 HydrophobicContact CG2-CD1 4.15Å; L62-I73 HydrophobicContact CD1-CD1 3.8Å; I73-D75 PolarHBondContact O-N 2.7Å; I73-D75 VanDerWaalsContact O-N 3.14Å; I73-V76 HydrophobicContact CG2-CB 3.69Å; I73-V76 HydrophobicContact CG2-CG2 3.47Å; I73-V76 VanDerWaalsContact CG2-CG2 3.47Å; I73-V76 PolarHBondContact O-N 3Å; I73-L100 CarbonylContact C-O 3.52Å; I73-L100 VanDerWaalsContact C-O 3.25Å; I73-L100 PolarHBondContact N-O 3.39Å; I73-Y101 HydrophobicContact CB-CD1 4.26Å; I73-Y101 HydrophobicContact CB-CE1 4.33Å
74P92Very high96.4Very high72 Ų7245.9 Ų45.947%0.46825%0.253SS..THydrogen-bonded Turntrans-68.7-14.9-165.828.1-36.6000114.9E102P74-E102 WeakPolarHBondContact O-CA 3.37Å; P74-E102 WeakPolarHBondContact O-CB 3.48Å; P74-E102 PolarHBondContact O-N 3.39Å; P74-E102 VanDerWaalsContact O-N 3.17Å
75D92.8Very high96.4Very high140 Ų14045.6 Ų45.675%0.74925%0.253SS*.THydrogen-bonded Turntrans-100.710.9-178.9-55.8-49.1000113.1I73I73-D75 PolarHBondContact O-N 2.7Å; I73-D75 VanDerWaalsContact O-N 3.14Å
76V95.9Very high96.3Very high29 Ų2950.6 Ų50.618%0.17628%0.275CS..SBendtrans-128.1131.7-177.2-176.90000110.7V35 I73 E102V35-V76 HydrophobicContact CG2-CB 4.48Å; V35-V76 HydrophobicContact CG2-CG1 3.81Å; I73-V76 HydrophobicContact CG2-CB 3.69Å; I73-V76 HydrophobicContact CG2-CG2 3.47Å; I73-V76 VanDerWaalsContact CG2-CG2 3.47Å; I73-V76 PolarHBondContact O-N 3Å; V76-E102 PolarHBondContact O-N 3.16Å; V76-E102 VanDerWaalsContact O-N 3.17Å
77P96.9Very high96.3Very high8 Ų856.6 Ų56.65%0.05230%0.303CS..  trans-68.7143.8174.527-35.2000112.1F19 V32 W33 K34 V35 S103 Y105F19-P77 HydrophobicContact CE1-CB 4.17Å; F19-P77 HydrophobicContact CE1-CG 4.38Å; F19-P77 HydrophobicContact CZ-CB 4.28Å; F19-P77 HydrophobicContact CZ-CG 4.01Å; V32-P77 HydrophobicContact CG1-CG 4.13Å; W33-P77 WeakPolarHBondContact O-CD 3.46Å; W33-P77 WeakPolarHBondContact O-CG 3.37Å; K34-P77 VanDerWaalsContact CA-O 3.31Å; K34-P77 WeakPolarHBondContact CA-O 3.43Å; K34-P77 HydrophobicContact CB-CG 4.05Å; K34-P77 WeakPolarHBondContact CB-O 3.37Å; V35-P77 PolarHBondContact N-O 3.14Å; P77-S103 VanDerWaalsContact CB-OG 3.32Å; P77-S103 WeakPolarHBondContact CB-OG 3.49Å; P77-Y105 HydrophobicContact CB-CE2 4.14Å
78A98Very high96.4Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-116.3129.6177.500000112.6V35 I37 Y80 Y101 S103 Y105V35-A78 HydrophobicContact CB-CB 4.47Å; V35-A78 CarbonylContact O-C 3.59Å; V35-A78 WeakPolarHBondContact O-CA 3.25Å; I37-A78 HydrophobicContact CG1-CB 4.48Å; A78-Y80 HydrophobicContact CB-CD2 4.28Å; A78-Y80 HydrophobicContact CB-CE2 3.79Å; A78-Y101 HydrophobicContact CB-CD1 3.85Å; A78-Y101 HydrophobicContact CB-CD2 3.4Å; A78-Y101 VanDerWaalsContact CB-CD2 3.4Å; A78-Y101 HydrophobicContact CB-CE1 4.27Å; A78-Y101 HydrophobicContact CB-CE2 3.86Å; A78-Y101 HydrophobicContact CB-CG 3.4Å; A78-S103 PolarHBondContact N-O 3.46Å; A78-Y105 PolarHBondContact O-N 3.47Å
79I98.4Very high96.5Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-98.7116.6171.4-60.3-175000108.3M16 L17 F19 K34 V35 L36 I37M16-I79 HydrophobicContact CE-CG2 4.41Å; L17-I79 WeakPolarHBondContact O-CD1 3.48Å; F19-I79 HydrophobicContact CD1-CD1 3.93Å; F19-I79 HydrophobicContact CD1-CG1 4.15Å; F19-I79 HydrophobicContact CE1-CD1 3.99Å; F19-I79 HydrophobicContact CE1-CG1 4.03Å; K34-I79 HydrophobicContact CD-CD1 3.73Å; K34-I79 HydrophobicContact CD-CG1 4.44Å; V35-I79 PolarHBondContact O-N 3.1Å; L36-I79 HydrophobicContact CD1-CB 4.49Å; L36-I79 HydrophobicContact CD1-CG2 4.31Å; I37-I79 PolarHBondContact N-O 3.23Å
80Y98.7Very high96.7Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-93.5129.2173.4-73.8-111000109.1I37 L66 A78 I92 D95 Y101 Y104 Y105 L106 N107I37-Y80 HydrophobicContact CB-CD1 3.94Å; I37-Y80 HydrophobicContact CB-CD2 4.42Å; I37-Y80 HydrophobicContact CB-CE1 4.05Å; I37-Y80 HydrophobicContact CB-CE2 4.49Å; I37-Y80 HydrophobicContact CB-CG 4.14Å; I37-Y80 HydrophobicContact CG1-CE1 4.35Å; I37-Y80 HydrophobicContact CG1-CE2 4.22Å; I37-Y80 HydrophobicContact CG2-CD1 3.86Å; I37-Y80 HydrophobicContact CG2-CE1 3.77Å; I37-Y80 CarbonylContact O-C 3.49Å; I37-Y80 VanDerWaalsContact O-CA 3.26Å; I37-Y80 WeakPolarHBondContact O-CA 3.36Å; L66-Y80 HydrophobicContact CD1-CD1 3.87Å; L66-Y80 HydrophobicContact CD1-CE1 3.62Å; A78-Y80 HydrophobicContact CB-CD2 4.28Å; A78-Y80 HydrophobicContact CB-CE2 3.79Å; Y80-I92 HydrophobicContact CD1-CD1 4.2Å; Y80-I92 HydrophobicContact CD1-CG1 3.83Å; Y80-I92 HydrophobicContact CE1-CG1 3.91Å; Y80-D95 WeakPolarHBondContact CE1-OD2 3.46Å; Y80-D95 WeakPolarHBondContact OH-CB 3.47Å; Y80-D95 PolarHBondContact OH-OD2 3.31Å; Y80-Y101 HydrophobicContact CE2-CD2 4.21Å; Y80-Y101 HydrophobicContact CE2-CE2 4.28Å; Y80-Y101 VanDerWaalsContact OH-CE2 3.27Å; Y80-Y101 WeakPolarHBondContact OH-CE2 3.39Å; Y80-Y104 HydrophobicContact CD2-CD1 4.43Å; Y80-Y104 AromaticContact CE2-CD1 3.57Å; Y80-Y104 HydrophobicContact CE2-CD1 3.57Å; Y80-Y104 HydrophobicContact CE2-CE1 4.15Å; Y80-Y104 AromaticContact CZ-CD1 3.99Å; Y80-Y105 PolarHBondContact N-O 3.4Å; Y80-L106 HydrophobicContact CD2-CD2 3.97Å; Y80-L106 HydrophobicContact CG-CD2 3.91Å; Y80-N107 WeakPolarHBondContact O-CA 3.05Å; Y80-N107 WeakPolarHBondContact O-CB 3.49Å; Y80-N107 PolarHBondContact O-N 3.32Å; Y80-N107 PolarHBondContact O-ND2 2.9Å
81F98.7Very high96.8Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-129.694.4172.1-179-122.4000109.9L13 M16 L36 I37 Y38 I45 I46 N107 I109 Q139 L141L13-F81 HydrophobicContact CD2-CE1 3.91Å; L13-F81 HydrophobicContact CD2-CE2 4.27Å; L13-F81 HydrophobicContact CD2-CZ 3.74Å; M16-F81 HydrophobicContact CE-CB 3.98Å; M16-F81 HydrophobicContact CE-CD2 4.2Å; M16-F81 HydrophobicContact CE-CG 4Å; M16-F81 HydrophobicContact SD-CB 3.84Å; M16-F81 HydrophobicContact SD-CD2 3.3Å; M16-F81 WeakPolarHBondContact SD-CD2 3.39Å; M16-F81 HydrophobicContact SD-CE2 3.94Å; M16-F81 HydrophobicContact SD-CG 3.68Å; L36-F81 HydrophobicContact CD1-CB 4.46Å; I37-F81 PolarHBondContact O-N 3.28Å; Y38-F81 VanDerWaalsContact CA-O 3.23Å; Y38-F81 WeakPolarHBondContact CA-O 3.38Å; Y38-F81 VanDerWaalsContact CB-O 3.28Å; Y38-F81 WeakPolarHBondContact CB-O 3.43Å; I45-F81 HydrophobicContact CB-CE1 4.12Å; I45-F81 HydrophobicContact CB-CZ 4.47Å; I45-F81 HydrophobicContact CD1-CE1 4.27Å; I45-F81 HydrophobicContact CD1-CZ 4.14Å; I45-F81 HydrophobicContact CG2-CE1 4.09Å; I45-F81 HydrophobicContact CG2-CZ 4.1Å; I46-F81 HydrophobicContact CD1-CD1 3.65Å; I46-F81 HydrophobicContact CD1-CE1 4.11Å; I46-F81 HydrophobicContact CG1-CD1 4.06Å; I46-F81 HydrophobicContact CG1-CE1 3.99Å; F81-N107 VanDerWaalsContact CA-O 3.31Å; F81-N107 WeakPolarHBondContact CA-O 3.49Å; F81-N107 HydrophobicContact CD2-CB 4.41Å; F81-I109 HydrophobicContact CD1-CG1 4.4Å; F81-I109 HydrophobicContact CD2-CG1 3.88Å; F81-I109 HydrophobicContact CE1-CD1 4.31Å; F81-I109 HydrophobicContact CE1-CG1 4.05Å; F81-I109 HydrophobicContact CE2-CB 4.35Å; F81-I109 HydrophobicContact CE2-CG1 3.48Å; F81-I109 VanDerWaalsContact CE2-CG1 3.48Å; F81-I109 HydrophobicContact CG-CG1 4.34Å; F81-I109 HydrophobicContact CZ-CD1 4.3Å; F81-I109 HydrophobicContact CZ-CG1 3.58Å; F81-Q139 HydrophobicContact CD2-CG 4.5Å; F81-Q139 HydrophobicContact CE2-CB 4.36Å; F81-Q139 HydrophobicContact CE2-CG 4.3Å; F81-L141 HydrophobicContact CE2-CB 4.5Å; F81-L141 HydrophobicContact CE2-CD1 4.21Å; F81-L141 HydrophobicContact CZ-CB 4.24Å; F81-L141 HydrophobicContact CZ-CD1 4.24Å
82V98.6Very high97Very high1 Ų142.3 Ų42.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-141.6157.3-165.7-56.10000112.2D39 L66 I92 N107 F108 I109D39-V82 HydrophobicContact CB-CB 4.47Å; D39-V82 HydrophobicContact CB-CG1 4.42Å; L66-V82 HydrophobicContact CB-CG1 4.41Å; L66-V82 HydrophobicContact CD2-CB 4.43Å; L66-V82 HydrophobicContact CD2-CG1 3.96Å; V82-I92 HydrophobicContact CG2-CD1 3.88Å; V82-N107 PolarHBondContact N-O 3.47Å; V82-N107 VanDerWaalsContact N-O 3.12Å; V82-F108 HydrophobicContact CG2-CD1 4.04Å; V82-F108 HydrophobicContact CG2-CE1 4.02Å; V82-F108 WeakPolarHBondContact O-CA 3.43Å; V82-I109 PolarHBondContact O-N 3.07Å
83M97.4Very high97.2Very high28 Ų2838.7 Ų38.714%0.13820%0.203CC..  trans-69.8144.8167.7-75.7-64-74.200110.1D39 F41 T85 N88 I109D39-M83 WeakPolarHBondContact OD2-CB 3.35Å; D39-M83 PolarHBondContact OD2-N 2.96Å; F41-M83 HydrophobicContact CB-CG 3.59Å; F41-M83 HydrophobicContact CD1-CG 4.12Å; F41-M83 HydrophobicContact CD2-CG 3.86Å; F41-M83 HydrophobicContact CG-CG 3.6Å; M83-T85 HydrophobicContact CB-CG2 3.94Å; M83-T85 PolarHBondContact O-N 3.23Å; M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-ND2 2.92Å; M83-I109 HydrophobicContact CG-CB 4.43Å; M83-I109 HydrophobicContact CG-CD1 3.92Å; M83-I109 HydrophobicContact SD-CB 3.61Å; M83-I109 HydrophobicContact SD-CD1 4.13Å; M83-I109 HydrophobicContact SD-CG1 4.45Å; M83-I109 HydrophobicContact SD-CG2 3.55Å; M83-I109 VanDerWaalsContact SD-CG2 3.55Å
84P97.2Very high97.3Very high13 Ų1340.8 Ų40.88%0.08421%0.211CC..  trans-78.952.8175.833.9-35.8000111.7F108 S110 I112 K116P84-F108 HydrophobicContact CB-CB 4.47Å; P84-F108 HydrophobicContact CB-CD1 3.83Å; P84-F108 HydrophobicContact CB-CE1 4.45Å; P84-F108 HydrophobicContact CB-CG 4.28Å; P84-S110 VanDerWaalsContact CD-OG 3.31Å; P84-S110 WeakPolarHBondContact CD-OG 3.38Å; P84-S110 WeakPolarHBondContact CG-OG 3.22Å; P84-I112 HydrophobicContact CB-CB 4.15Å; P84-I112 HydrophobicContact CB-CG1 4.13Å; P84-K116 WeakPolarHBondContact O-CD 3.25Å; P84-K116 WeakPolarHBondContact O-CE 3.29Å; P84-K116 PolarHBondContact O-NZ 3.05Å
85T96.8Very high97.5Very high49 Ų4937.3 Ų37.330%0.30119%0.189SC..  trans-81.2154.9173.763.40000110.6M83 E87 N88 I89M83-T85 HydrophobicContact CB-CG2 3.94Å; M83-T85 PolarHBondContact O-N 3.23Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.05Å; T85-N88 PolarHBondContact O-N 3.4Å; T85-N88 VanDerWaalsContact OG1-CB 3.31Å; T85-N88 WeakPolarHBondContact OG1-CB 3.47Å; T85-N88 PolarHBondContact OG1-N 3.39Å; T85-N88 PolarHBondContact OG1-ND2 2.98Å; T85-N88 PolarHBondContact OG1-OD1 3.44Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 3.18Å
86E97.2Very high97.7Very high146 Ų14630.7 Ų30.768%0.68215%0.153SC*.Hα-helixtrans-56.7-46.2178.3-67178177.100111.5N88 I89 D90E86-N88 VanDerWaalsContact C-N 3.33Å; E86-N88 PolarHBondContact O-N 3.43Å; E86-I89 PolarHBondContact O-N 3.38Å; E86-I89 VanDerWaalsContact O-N 3.13Å; E86-D90 PolarHBondContact O-N 2.83Å
87E97.6Very high97.7Very high126 Ų12636.6 Ų36.659%0.58917%0.173SC*.Hα-helixtrans-55.2-44176.3-169.3-169.2172.500113H67 T85 R91H67-E87 IonicContact CD2-OE1 3.52Å; H67-E87 IonicContact CE1-OE1 3.8Å; H67-E87 IonicContact NE2-OE1 3.62Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.05Å; E87-R91 WeakPolarHBondContact O-CB 3.44Å; E87-R91 PolarHBondContact O-N 3.35Å; E87-R91 VanDerWaalsContact O-N 3.09Å
88N98.3Very high97.6Very high4 Ų440.5 Ų40.52%0.02119%0.193CC..Hα-helixtrans-69.7-39179.3-72.6-5000111.8D39 L66 H67 M83 T85 E86 R91 I92D39-N88 PolarHBondContact OD2-ND2 2.74Å; L66-N88 HydrophobicContact CD2-CB 3.57Å; L66-N88 VanDerWaalsContact CD2-CG 3.49Å; L66-N88 WeakPolarHBondContact CD2-OD1 3.37Å; H67-N88 PolarHBondContact NE2-OD1 2.73Å; M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-ND2 2.92Å; T85-N88 PolarHBondContact O-N 3.4Å; T85-N88 VanDerWaalsContact OG1-CB 3.31Å; T85-N88 WeakPolarHBondContact OG1-CB 3.47Å; T85-N88 PolarHBondContact OG1-N 3.39Å; T85-N88 PolarHBondContact OG1-ND2 2.98Å; T85-N88 PolarHBondContact OG1-OD1 3.44Å; E86-N88 VanDerWaalsContact C-N 3.33Å; E86-N88 PolarHBondContact O-N 3.43Å; N88-R91 PolarHBondContact O-N 3Å; N88-I92 VanDerWaalsContact O-CG1 3.31Å; N88-I92 WeakPolarHBondContact O-CG1 3.15Å; N88-I92 PolarHBondContact O-N 2.87Å
89I98.4Very high97.4Very high2 Ų244.4 Ų44.41%0.0121%0.211CC..Hα-helixtrans-64.6-45178.4-62.7-68.2000110T85 E86 R91 I92 C93 F108 I112 K116 D119 I120T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 3.18Å; E86-I89 PolarHBondContact O-N 3.38Å; E86-I89 VanDerWaalsContact O-N 3.13Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.28Å; I89-I92 PolarHBondContact O-N 3.28Å; I89-C93 WeakPolarHBondContact O-CB 3.36Å; I89-C93 PolarHBondContact O-N 2.99Å; I89-C93 PolarHBondContact O-SG 3.46Å; I89-F108 HydrophobicContact CD1-CE1 3.6Å; I89-F108 HydrophobicContact CD1-CZ 3.83Å; I89-I112 HydrophobicContact CD1-CD1 3.66Å; I89-K116 HydrophobicContact CD1-CB 4.23Å; I89-K116 HydrophobicContact CG1-CB 4.16Å; I89-K116 HydrophobicContact CG1-CD 4.16Å; I89-K116 HydrophobicContact CG1-CG 4.24Å; I89-D119 HydrophobicContact CG2-CB 4.43Å; I89-I120 HydrophobicContact CD1-CD1 3.68Å; I89-I120 HydrophobicContact CD1-CG1 4.4Å; I89-I120 HydrophobicContact CG2-CD1 4.35Å; I89-I120 HydrophobicContact CG2-CG1 3.94Å
90D98.3Very high97.3Very high108 Ų10844.8 Ų44.858%0.57821%0.213SC*.Hα-helixtrans-59.8-42.7176.2-75.9-22.4000111.9E86 C93 Q94E86-D90 PolarHBondContact O-N 2.83Å; D90-C93 WeakPolarHBondContact O-CB 3.17Å; D90-C93 PolarHBondContact O-N 3.22Å; D90-Q94 PolarHBondContact O-N 3.39Å
91R98.1Very high97.3Very high35 Ų3544.9 Ų44.913%0.13221%0.214CC..Hα-helixtrans-65.2-39177.5-170.266.8-175.892.56.5112.3L66 S68 R70 E87 N88 I89 Q94 D95L66-R91 HydrophobicContact CD1-CG 4.08Å; L66-R91 HydrophobicContact CD2-CB 4.3Å; L66-R91 HydrophobicContact CD2-CG 4.47Å; L66-R91 HydrophobicContact CG-CB 4.23Å; L66-R91 HydrophobicContact CG-CG 3.86Å; L66-R91 VanDerWaalsContact O-CG 3.26Å; L66-R91 WeakPolarHBondContact O-CG 3.41Å; L66-R91 PolarHBondContact O-NE 2.93Å; S68-R91 PolarHBondContact O-NH2 2.85Å; R70-R91 VanDerWaalsContact NH2-NH2 3.18Å; E87-R91 WeakPolarHBondContact O-CB 3.44Å; E87-R91 PolarHBondContact O-N 3.35Å; E87-R91 VanDerWaalsContact O-N 3.09Å; N88-R91 PolarHBondContact O-N 3Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.28Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 2.75Å; R91-D95 IonicContact CZ-OD1 3.38Å; R91-D95 IonicContact NH1-OD1 2.63Å; R91-D95 PolarHBondContact NH1-OD1 2.85Å; R91-D95 IonicContact NH2-OD1 3.6Å; R91-D95 PolarHBondContact O-N 3.27Å
92I98.2Very high97.1Very high0 Ų050 Ų500%024%0.238CC..Hα-helixtrans-64.1-45.1172.9-70.4165.5000110.7L66 Y80 V82 N88 I89 Q94 D95 L96 L106 F108L66-I92 HydrophobicContact CD1-CG1 4.2Å; Y80-I92 HydrophobicContact CD1-CD1 4.2Å; Y80-I92 HydrophobicContact CD1-CG1 3.83Å; Y80-I92 HydrophobicContact CE1-CG1 3.91Å; V82-I92 HydrophobicContact CG2-CD1 3.88Å; N88-I92 VanDerWaalsContact O-CG1 3.31Å; N88-I92 WeakPolarHBondContact O-CG1 3.15Å; N88-I92 PolarHBondContact O-N 2.87Å; I89-I92 PolarHBondContact O-N 3.28Å; I92-Q94 PolarHBondContact O-N 3.05Å; I92-D95 WeakPolarHBondContact O-CB 3.37Å; I92-D95 PolarHBondContact O-N 2.98Å; I92-D95 VanDerWaalsContact O-N 3.08Å; I92-L96 HydrophobicContact CG2-CD1 4.3Å; I92-L96 WeakPolarHBondContact O-CG 3.37Å; I92-L96 PolarHBondContact O-N 3.3Å; I92-L106 HydrophobicContact CG2-CD1 4.3Å; I92-L106 HydrophobicContact CG2-CD2 4.03Å; I92-F108 HydrophobicContact CD1-CE1 4.24Å
93C97.9Very high97.1Very high5 Ų550.6 Ų50.63%0.03424%0.242CC..Hα-helixtrans-58.2-37.7176.3-720000111.8I89 D90 R97 A123I89-C93 WeakPolarHBondContact O-CB 3.36Å; I89-C93 PolarHBondContact O-N 2.99Å; I89-C93 PolarHBondContact O-SG 3.46Å; D90-C93 WeakPolarHBondContact O-CB 3.17Å; D90-C93 PolarHBondContact O-N 3.22Å; C93-R97 WeakPolarHBondContact O-CG 3.26Å; C93-R97 PolarHBondContact O-N 3.44Å; C93-R97 VanDerWaalsContact O-N 3.16Å; C93-A123 HydrophobicContact CB-CB 3.7Å; C93-A123 VanDerWaalsContact SG-CB 3.57Å
94Q97Very high97.1Very high90 Ų9049.3 Ų49.342%0.42124%0.235SC..Hα-helixtrans-66.8-43.2173.2-171.4-176.515.800112.3D90 R91 I92 L96 R97 N98D90-Q94 PolarHBondContact O-N 3.39Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 2.75Å; I92-Q94 PolarHBondContact O-N 3.05Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.96Å; Q94-R97 PolarHBondContact O-N 2.83Å; Q94-N98 PolarHBondContact O-N 3.35Å
95D97.2Very high97.2Very high0 Ų050.3 Ų50.30%024%0.238CC..Hα-helixtrans-60.7-35.8176.8-74.2-11.9000112.4R70 Y80 R91 I92 Q99 L100 Y104R70-D95 IonicContact CZ-OD2 3.01Å; R70-D95 IonicContact NH2-OD1 2.71Å; R70-D95 PolarHBondContact NH2-OD1 3.05Å; R70-D95 IonicContact NH2-OD2 2.72Å; R70-D95 PolarHBondContact NH2-OD2 2.81Å; Y80-D95 WeakPolarHBondContact CE1-OD2 3.46Å; Y80-D95 WeakPolarHBondContact OH-CB 3.47Å; Y80-D95 PolarHBondContact OH-OD2 3.31Å; R91-D95 IonicContact CZ-OD1 3.38Å; R91-D95 IonicContact NH1-OD1 2.63Å; R91-D95 PolarHBondContact NH1-OD1 2.85Å; R91-D95 IonicContact NH2-OD1 3.6Å; R91-D95 PolarHBondContact O-N 3.27Å; I92-D95 WeakPolarHBondContact O-CB 3.37Å; I92-D95 PolarHBondContact O-N 2.98Å; I92-D95 VanDerWaalsContact O-N 3.08Å; D95-Q99 PolarHBondContact O-N 2.88Å; D95-L100 HydrophobicContact CB-CD1 4.14Å; D95-L100 HydrophobicContact CB-CG 4.41Å; D95-L100 PolarHBondContact O-N 3.44Å; D95-L100 WeakPolarHBondContact OD1-CD1 3.36Å; D95-Y104 HydrophobicContact CB-CE1 4.2Å; D95-Y104 PolarHBondContact O-OH 2.95Å
96L96.4Very high97.2Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-68.5-41.7174.9-70.2171.7000112.1I92 Q94 N98 Q99 Y104 I120 A124 A129 V133I92-L96 HydrophobicContact CG2-CD1 4.3Å; I92-L96 WeakPolarHBondContact O-CG 3.37Å; I92-L96 PolarHBondContact O-N 3.3Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.96Å; L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.06Å; L96-Q99 WeakPolarHBondContact O-CG 3.48Å; L96-Q99 PolarHBondContact O-N 3.5Å; L96-Y104 HydrophobicContact CD2-CD1 3.8Å; L96-Y104 HydrophobicContact CD2-CD2 3.7Å; L96-Y104 HydrophobicContact CD2-CE1 3.87Å; L96-Y104 HydrophobicContact CD2-CE2 3.81Å; L96-Y104 HydrophobicContact CD2-CG 3.71Å; L96-Y104 HydrophobicContact CG-CE1 4.46Å; L96-I120 HydrophobicContact CD1-CG2 4.05Å; L96-A124 HydrophobicContact CD1-CB 4.24Å; L96-A129 HydrophobicContact CD2-CB 4.48Å; L96-V133 HydrophobicContact CD1-CG2 4.3Å; L96-V133 HydrophobicContact CD2-CG2 3.69Å
97R95.6Very high97.3Very high153 Ų15341.1 Ų41.158%0.57719%0.191SC*.Hα-helixtrans-63-35.9175.5-70.4172.4-165.2145.14.6112.2C93 Q94 Q99 A127C93-R97 WeakPolarHBondContact O-CG 3.26Å; C93-R97 PolarHBondContact O-N 3.44Å; C93-R97 VanDerWaalsContact O-N 3.16Å; Q94-R97 PolarHBondContact O-N 2.83Å; R97-Q99 VanDerWaalsContact C-N 3.35Å; R97-A127 HydrophobicContact CG-CB 4.27Å
98N95.2Very high97.4Very high91 Ų9135.1 Ų35.149%0.48716%0.164SC..THydrogen-bonded Turntrans-85.7-7.5178.8-66.7-13.5000113.4Q94 L96 L100Q94-N98 PolarHBondContact O-N 3.35Å; L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.06Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 HydrophobicContact CB-CD2 3.77Å; N98-L100 HydrophobicContact CB-CG 4.11Å; N98-L100 PolarHBondContact O-N 2.91Å
99Q94.9Very high97.3Very high81 Ų8135 Ų3538%0.37916%0.163SC..THydrogen-bonded Turntrans46.850.1-178.4-59.3-173.58.800112.7D95 L96 R97 Y101 Y104 A127D95-Q99 PolarHBondContact O-N 2.88Å; L96-Q99 WeakPolarHBondContact O-CG 3.48Å; L96-Q99 PolarHBondContact O-N 3.5Å; R97-Q99 VanDerWaalsContact C-N 3.35Å; Q99-Y101 PolarHBondContact O-N 3.43Å; Q99-Y104 WeakPolarHBondContact CA-OH 3.29Å; Q99-A127 PolarHBondContact NE2-O 3.16Å
100L96.3Very high97.2Very high8 Ų835.7 Ų35.74%0.04217%0.168CC..  trans-61.9-24.2-176.3-62.3-170000114.5P72 I73 D95 N98 Y104P72-L100 CarbonylContact C-O 3.25Å; P72-L100 HydrophobicContact CB-CD2 4.07Å; P72-L100 HydrophobicContact CG-CD2 3.76Å; I73-L100 CarbonylContact C-O 3.52Å; I73-L100 VanDerWaalsContact C-O 3.25Å; I73-L100 PolarHBondContact N-O 3.39Å; D95-L100 HydrophobicContact CB-CD1 4.14Å; D95-L100 HydrophobicContact CB-CG 4.41Å; D95-L100 PolarHBondContact O-N 3.44Å; D95-L100 WeakPolarHBondContact OD1-CD1 3.36Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 HydrophobicContact CB-CD2 3.77Å; N98-L100 HydrophobicContact CB-CG 4.11Å; N98-L100 PolarHBondContact O-N 2.91Å; L100-Y104 PolarHBondContact N-OH 3.35Å
101Y97.1Very high96.9Very high3 Ų333 Ų331%0.01216%0.161CC..BIsolated β-bridgetrans-137.1160.8-171.9-56.6-66.4000111.7V35 I37 R70 I73 A78 Y80 Q99 S103 Y104V35-Y101 HydrophobicContact CB-CE1 4.31Å; V35-Y101 HydrophobicContact CG1-CE1 4.29Å; V35-Y101 HydrophobicContact CG2-CE1 4.25Å; I37-Y101 HydrophobicContact CD1-CE2 4.45Å; I37-Y101 VanDerWaalsContact CD1-OH 3.25Å; I37-Y101 WeakPolarHBondContact CD1-OH 3.49Å; I37-Y101 HydrophobicContact CG1-CE2 4.23Å; R70-Y101 VanDerWaalsContact CD-OH 3.3Å; R70-Y101 WeakPolarHBondContact CD-OH 3.4Å; R70-Y101 PolarHBondContact NE-OH 2.95Å; I73-Y101 HydrophobicContact CB-CD1 4.26Å; I73-Y101 HydrophobicContact CB-CE1 4.33Å; A78-Y101 HydrophobicContact CB-CD1 3.85Å; A78-Y101 HydrophobicContact CB-CD2 3.4Å; A78-Y101 VanDerWaalsContact CB-CD2 3.4Å; A78-Y101 HydrophobicContact CB-CE1 4.27Å; A78-Y101 HydrophobicContact CB-CE2 3.86Å; A78-Y101 HydrophobicContact CB-CG 3.4Å; Y80-Y101 HydrophobicContact CE2-CD2 4.21Å; Y80-Y101 HydrophobicContact CE2-CE2 4.28Å; Y80-Y101 VanDerWaalsContact OH-CE2 3.27Å; Y80-Y101 WeakPolarHBondContact OH-CE2 3.39Å; Q99-Y101 PolarHBondContact O-N 3.43Å; Y101-S103 PolarHBondContact O-N 3.2Å; Y101-Y104 HydrophobicContact CD2-CD1 4.45Å; Y101-Y104 AromaticContact CD2-CE1 3.86Å; Y101-Y104 HydrophobicContact CD2-CE1 3.86Å; Y101-Y104 PolarHBondContact N-OH 3.41Å
102E96.4Very high96.8Very high108 Ų10832.7 Ų32.751%0.50516%0.161SC..SBendtrans-61.7-45.7178.5-171.4-168.2165.700111.5P74 V76P74-E102 WeakPolarHBondContact O-CA 3.37Å; P74-E102 WeakPolarHBondContact O-CB 3.48Å; P74-E102 PolarHBondContact O-N 3.39Å; P74-E102 VanDerWaalsContact O-N 3.17Å; V76-E102 PolarHBondContact O-N 3.16Å; V76-E102 VanDerWaalsContact O-N 3.17Å
103S97.3Very high96.7Very high13 Ų1335.3 Ų35.39%0.09118%0.18CC..  trans-150.7152.2-178.456.70000111.8P77 A78 Y101 Q132P77-S103 VanDerWaalsContact CB-OG 3.32Å; P77-S103 WeakPolarHBondContact CB-OG 3.49Å; A78-S103 PolarHBondContact N-O 3.46Å; Y101-S103 PolarHBondContact O-N 3.2Å; S103-Q132 CarbonylContact C-O 3.54Å; S103-Q132 VanDerWaalsContact CA-O 3.25Å; S103-Q132 WeakPolarHBondContact CA-O 3.45Å; S103-Q132 WeakPolarHBondContact CB-O 3.24Å
104Y98.1Very high96.7Very high0 Ų044.5 Ų44.50%021%0.214CC..EExtended strand (participates in β ladder)trans-118.1118.6-172.5-60.9-104.8000109.8Y80 D95 L96 Q99 L100 Y101 Q132 T134Y80-Y104 HydrophobicContact CD2-CD1 4.43Å; Y80-Y104 AromaticContact CE2-CD1 3.57Å; Y80-Y104 HydrophobicContact CE2-CD1 3.57Å; Y80-Y104 HydrophobicContact CE2-CE1 4.15Å; Y80-Y104 AromaticContact CZ-CD1 3.99Å; D95-Y104 HydrophobicContact CB-CE1 4.2Å; D95-Y104 PolarHBondContact O-OH 2.95Å; L96-Y104 HydrophobicContact CD2-CD1 3.8Å; L96-Y104 HydrophobicContact CD2-CD2 3.7Å; L96-Y104 HydrophobicContact CD2-CE1 3.87Å; L96-Y104 HydrophobicContact CD2-CE2 3.81Å; L96-Y104 HydrophobicContact CD2-CG 3.71Å; L96-Y104 HydrophobicContact CG-CE1 4.46Å; Q99-Y104 WeakPolarHBondContact CA-OH 3.29Å; L100-Y104 PolarHBondContact N-OH 3.35Å; Y101-Y104 HydrophobicContact CD2-CD1 4.45Å; Y101-Y104 AromaticContact CD2-CE1 3.86Å; Y101-Y104 HydrophobicContact CD2-CE1 3.86Å; Y101-Y104 PolarHBondContact N-OH 3.41Å; Y104-Q132 HydrophobicContact CD2-CB 3.85Å; Y104-Q132 HydrophobicContact CE2-CB 4.07Å; Y104-Q132 PolarHBondContact N-O 3.49Å; Y104-T134 PolarHBondContact O-N 3.46Å
105Y98.3Very high96.7Very high34 Ų3443.7 Ų43.713%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-107.397.8172.5-66.8-100.3000108.6F19 P77 A78 Y80 N107 T134 K135F19-Y105 HydrophobicContact CB-CD1 4.15Å; F19-Y105 HydrophobicContact CB-CE1 3.77Å; F19-Y105 AromaticContact CD1-CD1 3.66Å; F19-Y105 HydrophobicContact CD1-CD1 3.66Å; F19-Y105 AromaticContact CD1-CD2 3.71Å; F19-Y105 HydrophobicContact CD1-CD2 3.71Å; F19-Y105 AromaticContact CD1-CE1 3.47Å; F19-Y105 HydrophobicContact CD1-CE1 3.47Å; F19-Y105 VanDerWaalsContact CD1-CE1 3.47Å; F19-Y105 AromaticContact CD1-CE2 3.51Å; F19-Y105 HydrophobicContact CD1-CE2 3.51Å; F19-Y105 AromaticContact CD1-CG 3.78Å; F19-Y105 HydrophobicContact CD1-CG 3.78Å; F19-Y105 AromaticContact CD1-CZ 3.38Å; F19-Y105 AromaticContact CE1-CD2 3.8Å; F19-Y105 HydrophobicContact CE1-CD2 3.8Å; F19-Y105 HydrophobicContact CE1-CE1 4.32Å; F19-Y105 AromaticContact CE1-CE2 3.51Å; F19-Y105 HydrophobicContact CE1-CE2 3.51Å; F19-Y105 HydrophobicContact CE1-CG 4.32Å; F19-Y105 AromaticContact CE1-CZ 3.79Å; F19-Y105 HydrophobicContact CG-CD1 4.35Å; F19-Y105 AromaticContact CG-CE1 3.91Å; F19-Y105 HydrophobicContact CG-CE1 3.91Å; F19-Y105 AromaticContact CG-CZ 4Å; P77-Y105 HydrophobicContact CB-CE2 4.14Å; A78-Y105 PolarHBondContact O-N 3.47Å; Y80-Y105 PolarHBondContact N-O 3.4Å; Y105-N107 PolarHBondContact O-N 2.93Å; Y105-N107 PolarHBondContact O-ND2 2.95Å; Y105-N107 VanDerWaalsContact O-ND2 3.09Å; Y105-T134 HydrophobicContact CE1-CG2 3.8Å; Y105-K135 HydrophobicContact CD1-CB 3.89Å; Y105-K135 HydrophobicContact CD1-CD 4.02Å; Y105-K135 HydrophobicContact CD1-CG 4.15Å; Y105-K135 HydrophobicContact CE1-CB 4.43Å; Y105-K135 HydrophobicContact CE1-CD 4.01Å; Y105-K135 HydrophobicContact CE1-CG 4.22Å
106L98.5Very high96.7Very high1 Ų145.9 Ų45.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-86.7113-174.7-53.7-176.2000110.2Y80 I92 F108 I120 V133 K135 V136 F137Y80-L106 HydrophobicContact CD2-CD2 3.97Å; Y80-L106 HydrophobicContact CG-CD2 3.91Å; I92-L106 HydrophobicContact CG2-CD1 4.3Å; I92-L106 HydrophobicContact CG2-CD2 4.03Å; L106-F108 HydrophobicContact CB-CE2 4.25Å; L106-F108 HydrophobicContact CB-CZ 4.41Å; L106-I120 HydrophobicContact CD1-CD1 4.25Å; L106-I120 HydrophobicContact CD1-CG2 3.94Å; L106-V133 HydrophobicContact CD1-CG1 4.21Å; L106-K135 PolarHBondContact N-O 3.34Å; L106-V136 HydrophobicContact CB-CG1 4.38Å; L106-V136 HydrophobicContact CB-CG2 4.3Å; L106-V136 HydrophobicContact CD1-CG2 4.29Å; L106-V136 CarbonylContact O-C 3.59Å; L106-V136 VanDerWaalsContact O-CA 3.29Å; L106-V136 WeakPolarHBondContact O-CA 3.05Å; L106-F137 PolarHBondContact O-N 3.5Å
107N98.6Very high96.7Very high1 Ų149.4 Ų49.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-118.7113.8176.7-57.4-93000109.1M16 N20 Y80 F81 V82 Y105 F137 Q139M16-N107 HydrophobicContact CG-CB 3.88Å; M16-N107 VanDerWaalsContact CG-CG 3.46Å; M16-N107 WeakPolarHBondContact CG-OD1 3.4Å; M16-N107 HydrophobicContact SD-CB 3.78Å; N20-N107 PolarHBondContact ND2-OD1 3.19Å; N20-N107 PolarHBondContact OD1-OD1 2.7Å; Y80-N107 WeakPolarHBondContact O-CA 3.05Å; Y80-N107 WeakPolarHBondContact O-CB 3.49Å; Y80-N107 PolarHBondContact O-N 3.32Å; Y80-N107 PolarHBondContact O-ND2 2.9Å; F81-N107 VanDerWaalsContact CA-O 3.31Å; F81-N107 WeakPolarHBondContact CA-O 3.49Å; F81-N107 HydrophobicContact CD2-CB 4.41Å; V82-N107 PolarHBondContact N-O 3.47Å; V82-N107 VanDerWaalsContact N-O 3.12Å; Y105-N107 PolarHBondContact O-N 2.93Å; Y105-N107 PolarHBondContact O-ND2 2.95Å; Y105-N107 VanDerWaalsContact O-ND2 3.09Å; N107-F137 CarbonylContact C-O 3.51Å; N107-F137 WeakPolarHBondContact CA-O 3.4Å; N107-Q139 HydrophobicContact CB-CG 3.81Å; N107-Q139 PolarHBondContact OD1-NE2 3.29Å
108F98.6Very high96.8Very high1 Ų146.8 Ų46.80%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-90.7134.2177.1-62.8-71.3000110.3V82 P84 I89 I92 L106 S110 I112 I120 V136 F137 Q139V82-F108 HydrophobicContact CG2-CD1 4.04Å; V82-F108 HydrophobicContact CG2-CE1 4.02Å; V82-F108 WeakPolarHBondContact O-CA 3.43Å; P84-F108 HydrophobicContact CB-CB 4.47Å; P84-F108 HydrophobicContact CB-CD1 3.83Å; P84-F108 HydrophobicContact CB-CE1 4.45Å; P84-F108 HydrophobicContact CB-CG 4.28Å; I89-F108 HydrophobicContact CD1-CE1 3.6Å; I89-F108 HydrophobicContact CD1-CZ 3.83Å; I92-F108 HydrophobicContact CD1-CE1 4.24Å; L106-F108 HydrophobicContact CB-CE2 4.25Å; L106-F108 HydrophobicContact CB-CZ 4.41Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 VanDerWaalsContact CB-O 3.22Å; F108-S110 WeakPolarHBondContact CB-O 3.48Å; F108-S110 PolarHBondContact O-N 3.4Å; F108-I112 HydrophobicContact CD1-CD1 4.43Å; F108-I112 HydrophobicContact CD2-CB 3.9Å; F108-I112 HydrophobicContact CD2-CD1 3.94Å; F108-I112 HydrophobicContact CD2-CG1 4.49Å; F108-I112 HydrophobicContact CD2-CG2 3.98Å; F108-I112 HydrophobicContact CE1-CD1 3.99Å; F108-I112 HydrophobicContact CE2-CB 4.27Å; F108-I112 HydrophobicContact CE2-CD1 3.42Å; F108-I112 VanDerWaalsContact CE2-CD1 3.42Å; F108-I112 HydrophobicContact CE2-CG1 4.42Å; F108-I112 HydrophobicContact CE2-CG2 4.29Å; F108-I112 HydrophobicContact CG-CB 4.18Å; F108-I112 HydrophobicContact CG-CD1 4.42Å; F108-I112 HydrophobicContact CZ-CD1 3.47Å; F108-I112 VanDerWaalsContact CZ-CD1 3.47Å; F108-I120 HydrophobicContact CE2-CD1 4.39Å; F108-I120 HydrophobicContact CZ-CD1 3.71Å; F108-V136 HydrophobicContact CD2-CG1 4.24Å; F108-V136 HydrophobicContact CE2-CG1 3.82Å; F108-F137 PolarHBondContact N-O 3.38Å; F108-Q139 WeakPolarHBondContact O-CB 3.36Å; F108-Q139 PolarHBondContact O-N 3.34Å
109I97.8Very high96.9Very high0 Ų046.2 Ų46.20%024%0.237CC..SBendtrans-61.4-40.4-179.2-69.3167.9000110.7F41 I45 F81 V82 M83 Y140 L141 N142F41-I109 HydrophobicContact CB-CD1 3.92Å; I45-I109 HydrophobicContact CD1-CD1 3.99Å; I45-I109 HydrophobicContact CD1-CG1 4.23Å; I45-I109 HydrophobicContact CD1-CG2 3.64Å; F81-I109 HydrophobicContact CD1-CG1 4.4Å; F81-I109 HydrophobicContact CD2-CG1 3.88Å; F81-I109 HydrophobicContact CE1-CD1 4.31Å; F81-I109 HydrophobicContact CE1-CG1 4.05Å; F81-I109 HydrophobicContact CE2-CB 4.35Å; F81-I109 HydrophobicContact CE2-CG1 3.48Å; F81-I109 VanDerWaalsContact CE2-CG1 3.48Å; F81-I109 HydrophobicContact CG-CG1 4.34Å; F81-I109 HydrophobicContact CZ-CD1 4.3Å; F81-I109 HydrophobicContact CZ-CG1 3.58Å; V82-I109 PolarHBondContact O-N 3.07Å; M83-I109 HydrophobicContact CG-CB 4.43Å; M83-I109 HydrophobicContact CG-CD1 3.92Å; M83-I109 HydrophobicContact SD-CB 3.61Å; M83-I109 HydrophobicContact SD-CD1 4.13Å; M83-I109 HydrophobicContact SD-CG1 4.45Å; M83-I109 HydrophobicContact SD-CG2 3.55Å; M83-I109 VanDerWaalsContact SD-CG2 3.55Å; I109-Y140 CarbonylContact O-C 3.59Å; I109-Y140 WeakPolarHBondContact O-CA 3.5Å; I109-Y140 PolarHBondContact O-N 3.11Å; I109-L141 PolarHBondContact O-N 3.04Å; I109-N142 HydrophobicContact CG2-CB 3.81Å
110S94.6Very high97.1Very high17 Ų1742.7 Ų42.712%0.11922%0.221CC..SBendtrans-122.7173.5173.262.80000110.7P84 F108 I112P84-S110 VanDerWaalsContact CD-OG 3.31Å; P84-S110 WeakPolarHBondContact CD-OG 3.38Å; P84-S110 WeakPolarHBondContact CG-OG 3.22Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 VanDerWaalsContact CB-O 3.22Å; F108-S110 WeakPolarHBondContact CB-O 3.48Å; F108-S110 PolarHBondContact O-N 3.4Å; S110-I112 PolarHBondContact O-N 3.48Å
111A93.6Very high97.1Very high52 Ų5244.6 Ų44.643%0.4324%0.238SC..PPolyproline II helixtrans-62.9127.6-177.100000112.4Y140A111-Y140 HydrophobicContact CB-CE1 4.07Å
112I95.9Very high97.1Very high28 Ų2847.7 Ų47.714%0.14426%0.26CS..PPolyproline II helixtrans-78.8143.3175.4-171.6167.6000112P84 I89 F108 S110 K116 I120 D138P84-I112 HydrophobicContact CB-CB 4.15Å; P84-I112 HydrophobicContact CB-CG1 4.13Å; I89-I112 HydrophobicContact CD1-CD1 3.66Å; F108-I112 HydrophobicContact CD1-CD1 4.43Å; F108-I112 HydrophobicContact CD2-CB 3.9Å; F108-I112 HydrophobicContact CD2-CD1 3.94Å; F108-I112 HydrophobicContact CD2-CG1 4.49Å; F108-I112 HydrophobicContact CD2-CG2 3.98Å; F108-I112 HydrophobicContact CE1-CD1 3.99Å; F108-I112 HydrophobicContact CE2-CB 4.27Å; F108-I112 HydrophobicContact CE2-CD1 3.42Å; F108-I112 VanDerWaalsContact CE2-CD1 3.42Å; F108-I112 HydrophobicContact CE2-CG1 4.42Å; F108-I112 HydrophobicContact CE2-CG2 4.29Å; F108-I112 HydrophobicContact CG-CB 4.18Å; F108-I112 HydrophobicContact CG-CD1 4.42Å; F108-I112 HydrophobicContact CZ-CD1 3.47Å; F108-I112 VanDerWaalsContact CZ-CD1 3.47Å; S110-I112 PolarHBondContact O-N 3.48Å; I112-K116 HydrophobicContact CD1-CB 3.84Å; I112-K116 HydrophobicContact CG1-CB 3.75Å; I112-I120 HydrophobicContact CD1-CD1 4.09Å; I112-D138 WeakPolarHBondContact CG2-OD1 3.18Å; I112-D138 PolarHBondContact N-OD1 2.95Å
113S96.3Very high97.1Very high56 Ų5642.7 Ų42.739%0.39224%0.237SC..PPolyproline II helixtrans-75.8152.3173.675.20000111.7S115 K116 L117S113-S115 VanDerWaalsContact C-N 3.28Å; S113-S115 PolarHBondContact O-N 2.84Å; S113-K116 PolarHBondContact O-N 3.38Å; S113-K116 WeakPolarHBondContact OG-CG 3.46Å; S113-K116 PolarHBondContact OG-N 2.91Å; S113-L117 PolarHBondContact O-N 3.04Å; S113-L117 VanDerWaalsContact O-N 3.13Å
114R96.2Very high97.1Very high197 Ų19742.3 Ų42.374%0.74324%0.235SC*.Hα-helixtrans-57-40.7177.5-178.6174.8174.6166.13.5113K116 L117 E118R114-K116 PolarHBondContact O-N 3.03Å; R114-L117 WeakPolarHBondContact O-CB 3.34Å; R114-L117 PolarHBondContact O-N 3.03Å; R114-E118 HydrophobicContact CG-CG 4.45Å; R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 IonicContact CZ-OE1 3.63Å; R114-E118 IonicContact NE-OE1 2.83Å; R114-E118 PolarHBondContact NE-OE1 3.04Å; R114-E118 IonicContact NH2-OE1 3.56Å; R114-E118 WeakPolarHBondContact O-CG 3.5Å; R114-E118 PolarHBondContact O-N 3.43Å
115S97.6Very high97.1Very high73 Ų7348 Ų4851%0.5127%0.265SS..Hα-helixtrans-58-50177.7-170.40000111.4S113 L117 E118 D119S113-S115 VanDerWaalsContact C-N 3.28Å; S113-S115 PolarHBondContact O-N 2.84Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 2.92Å; S115-E118 WeakPolarHBondContact O-CB 3.3Å; S115-E118 PolarHBondContact O-N 3.49Å; S115-E118 VanDerWaalsContact O-N 3.07Å; S115-D119 VanDerWaalsContact O-CG 3.29Å; S115-D119 PolarHBondContact O-N 3.22Å
116K97.8Very high97Very high47 Ų4751.1 Ų51.120%0.20429%0.291CS..Hα-helixtrans-64.1-32.5-179.7-71.6172.5175.5171.90112.3P84 I89 I112 S113 R114 D119 I120P84-K116 WeakPolarHBondContact O-CD 3.25Å; P84-K116 WeakPolarHBondContact O-CE 3.29Å; P84-K116 PolarHBondContact O-NZ 3.05Å; I89-K116 HydrophobicContact CD1-CB 4.23Å; I89-K116 HydrophobicContact CG1-CB 4.16Å; I89-K116 HydrophobicContact CG1-CD 4.16Å; I89-K116 HydrophobicContact CG1-CG 4.24Å; I112-K116 HydrophobicContact CD1-CB 3.84Å; I112-K116 HydrophobicContact CG1-CB 3.75Å; S113-K116 PolarHBondContact O-N 3.38Å; S113-K116 WeakPolarHBondContact OG-CG 3.46Å; S113-K116 PolarHBondContact OG-N 2.91Å; R114-K116 PolarHBondContact O-N 3.03Å; K116-D119 PolarHBondContact O-N 3.48Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.01Å
117L97.1Very high96.8Very high74 Ų7451.8 Ų51.839%0.38730%0.297SS..Hα-helixtrans-68.5-40.6173.7-173.566.6000111.9S113 R114 S115 D119 I120 A121 V136S113-L117 PolarHBondContact O-N 3.04Å; S113-L117 VanDerWaalsContact O-N 3.13Å; R114-L117 WeakPolarHBondContact O-CB 3.34Å; R114-L117 PolarHBondContact O-N 3.03Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 2.92Å; L117-D119 VanDerWaalsContact C-N 3.3Å; L117-I120 PolarHBondContact O-N 3.13Å; L117-A121 WeakPolarHBondContact O-CB 3.32Å; L117-A121 PolarHBondContact O-N 3.49Å; L117-V136 HydrophobicContact CD1-CG1 4.09Å
118E97.4Very high96.6Very high97 Ų9758.2 Ų58.245%0.45333%0.331SS..Hα-helixtrans-63.4-36.8174.9-72.2170.7-178.300111.3R114 S115 A121 S122R114-E118 HydrophobicContact CG-CG 4.45Å; R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 IonicContact CZ-OE1 3.63Å; R114-E118 IonicContact NE-OE1 2.83Å; R114-E118 PolarHBondContact NE-OE1 3.04Å; R114-E118 IonicContact NH2-OE1 3.56Å; R114-E118 WeakPolarHBondContact O-CG 3.5Å; R114-E118 PolarHBondContact O-N 3.43Å; S115-E118 WeakPolarHBondContact O-CB 3.3Å; S115-E118 PolarHBondContact O-N 3.49Å; S115-E118 VanDerWaalsContact O-N 3.07Å; E118-A121 PolarHBondContact O-N 3.17Å; E118-S122 WeakPolarHBondContact O-CB 3.34Å; E118-S122 PolarHBondContact O-N 3.44Å
119D97.3Very high96.4Very high80 Ų8058.1 Ų58.143%0.42833%0.331SS..Hα-helixtrans-62.1-47.1174.7-61.9-35.7000112.1I89 S115 K116 L117 A121 S122 A123I89-D119 HydrophobicContact CG2-CB 4.43Å; S115-D119 VanDerWaalsContact O-CG 3.29Å; S115-D119 PolarHBondContact O-N 3.22Å; K116-D119 PolarHBondContact O-N 3.48Å; L117-D119 VanDerWaalsContact C-N 3.3Å; D119-A121 PolarHBondContact O-N 2.98Å; D119-S122 PolarHBondContact O-N 3.22Å; D119-A123 WeakPolarHBondContact O-CB 3.47Å; D119-A123 PolarHBondContact O-N 3.21Å
120I97.6Very high96.3Very high6 Ų661.7 Ų61.73%0.03135%0.353CS..Hα-helixtrans-61.3-44.8175.4-67168.9000110.8I89 L96 L106 F108 I112 K116 L117 S122 A123 A124I89-I120 HydrophobicContact CD1-CD1 3.68Å; I89-I120 HydrophobicContact CD1-CG1 4.4Å; I89-I120 HydrophobicContact CG2-CD1 4.35Å; I89-I120 HydrophobicContact CG2-CG1 3.94Å; L96-I120 HydrophobicContact CD1-CG2 4.05Å; L106-I120 HydrophobicContact CD1-CD1 4.25Å; L106-I120 HydrophobicContact CD1-CG2 3.94Å; F108-I120 HydrophobicContact CE2-CD1 4.39Å; F108-I120 HydrophobicContact CZ-CD1 3.71Å; I112-I120 HydrophobicContact CD1-CD1 4.09Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.01Å; L117-I120 PolarHBondContact O-N 3.13Å; I120-S122 VanDerWaalsContact C-N 3.34Å; I120-S122 PolarHBondContact O-N 2.93Å; I120-A123 PolarHBondContact O-N 3.21Å; I120-A124 WeakPolarHBondContact O-CB 3.39Å; I120-A124 PolarHBondContact O-N 2.95Å
121A97.1Very high96.3Very high48 Ų4867.1 Ų67.140%0.39739%0.385SS..Hα-helixtrans-61.9-43.1179.900000111.6L117 E118 D119 A124 L125L117-A121 WeakPolarHBondContact O-CB 3.32Å; L117-A121 PolarHBondContact O-N 3.49Å; E118-A121 PolarHBondContact O-N 3.17Å; D119-A121 PolarHBondContact O-N 2.98Å; A121-A124 PolarHBondContact O-N 3.14Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 3Å
122S97.4Very high96.4Very high68 Ų6866.3 Ų66.348%0.47637%0.373SS..Hα-helixtrans-62.1-43.4175.6-175.60000112.1E118 D119 I120 L125 S126E118-S122 WeakPolarHBondContact O-CB 3.34Å; E118-S122 PolarHBondContact O-N 3.44Å; D119-S122 PolarHBondContact O-N 3.22Å; I120-S122 VanDerWaalsContact C-N 3.34Å; I120-S122 PolarHBondContact O-N 2.93Å; S122-L125 PolarHBondContact O-N 3.34Å; S122-S126 WeakPolarHBondContact O-CB 3.21Å; S122-S126 PolarHBondContact O-N 3.34Å; S122-S126 PolarHBondContact O-OG 2.85Å
123A97Very high96.5Very high3 Ų366.7 Ų66.73%0.02538%0.376CS..Hα-helixtrans-63.9-44.4175.800000112.1C93 D119 I120 L125 S126 A127C93-A123 HydrophobicContact CB-CB 3.7Å; C93-A123 VanDerWaalsContact SG-CB 3.57Å; D119-A123 WeakPolarHBondContact O-CB 3.47Å; D119-A123 PolarHBondContact O-N 3.21Å; I120-A123 PolarHBondContact O-N 3.21Å; A123-L125 PolarHBondContact O-N 3.45Å; A123-S126 PolarHBondContact O-N 2.82Å; A123-A127 VanDerWaalsContact O-CB 3.29Å; A123-A127 WeakPolarHBondContact O-CB 2.96Å; A123-A127 PolarHBondContact O-N 3.49Å
124A96.9Very high96.5Very high5 Ų567.1 Ų67.14%0.04138%0.376CS..Hα-helixtrans-63.1-40.7177.800000112.4L96 I120 A121 A127 N128 A129 V130 V133L96-A124 HydrophobicContact CD1-CB 4.24Å; I120-A124 WeakPolarHBondContact O-CB 3.39Å; I120-A124 PolarHBondContact O-N 2.95Å; A121-A124 PolarHBondContact O-N 3.14Å; A124-A127 PolarHBondContact O-N 2.9Å; A124-N128 PolarHBondContact O-N 3.44Å; A124-N128 VanDerWaalsContact O-N 3.17Å; A124-A129 PolarHBondContact O-N 3.33Å; A124-V130 HydrophobicContact CB-CG2 4.25Å; A124-V133 HydrophobicContact CB-CG2 4.26Å
125L97.1Very high96.5Very high121 Ų12160.8 Ų60.863%0.63435%0.354SS*.Hα-helixtrans-62.4-48.3174.6-77.7164.9000111.4A121 S122 A123 A127 N128 V130A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 3Å; S122-L125 PolarHBondContact O-N 3.34Å; A123-L125 PolarHBondContact O-N 3.45Å; L125-A127 VanDerWaalsContact C-N 3.27Å; L125-A127 PolarHBondContact O-N 3.36Å; L125-N128 PolarHBondContact O-N 3.16Å; L125-N128 VanDerWaalsContact O-N 3.15Å; L125-V130 HydrophobicContact CB-CG2 4.44Å; L125-V130 HydrophobicContact CD2-CG2 3.7Å; L125-V130 HydrophobicContact CG-CG2 3.94Å
126S96.2Very high96.4Very high98 Ų9860 Ų6069%0.68535%0.346SS*.Hα-helixtrans-64.4-33.1-179.2-57.40000112.5S122 A123 N128S122-S126 WeakPolarHBondContact O-CB 3.21Å; S122-S126 PolarHBondContact O-N 3.34Å; S122-S126 PolarHBondContact O-OG 2.85Å; A123-S126 PolarHBondContact O-N 2.82Å; S126-N128 VanDerWaalsContact C-N 3.34Å
127A94.9Very high96.4Very high15 Ų1561.1 Ų61.112%0.12435%0.351CS..THydrogen-bonded Turntrans-85.8-1.617800000114.1R97 Q99 A123 A124 L125 A129R97-A127 HydrophobicContact CG-CB 4.27Å; Q99-A127 PolarHBondContact NE2-O 3.16Å; A123-A127 VanDerWaalsContact O-CB 3.29Å; A123-A127 WeakPolarHBondContact O-CB 2.96Å; A123-A127 PolarHBondContact O-N 3.49Å; A124-A127 PolarHBondContact O-N 2.9Å; L125-A127 VanDerWaalsContact C-N 3.27Å; L125-A127 PolarHBondContact O-N 3.36Å; A127-A129 HydrophobicContact CB-CB 4.1Å; A127-A129 PolarHBondContact O-N 3.31Å
128N94.9Very high96.3Very high136 Ų13660.1 Ų60.173%0.72735%0.346SS*.THydrogen-bonded Turntrans51.635.6-170-163.840.9000113.2A124 L125 S126A124-N128 PolarHBondContact O-N 3.44Å; A124-N128 VanDerWaalsContact O-N 3.17Å; L125-N128 PolarHBondContact O-N 3.16Å; L125-N128 VanDerWaalsContact O-N 3.15Å; S126-N128 VanDerWaalsContact C-N 3.34Å
129A94.6Very high96.2Very high0 Ų056.3 Ų56.30%033%0.329CS..  trans-109.712.5-175.700000112.8L96 A124 A127 T131 Q132 V133L96-A129 HydrophobicContact CD2-CB 4.48Å; A124-A129 PolarHBondContact O-N 3.33Å; A127-A129 HydrophobicContact CB-CB 4.1Å; A127-A129 PolarHBondContact O-N 3.31Å; A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 3.44Å; A129-Q132 WeakPolarHBondContact O-CB 3.38Å; A129-Q132 PolarHBondContact O-N 3.35Å; A129-V133 PolarHBondContact O-N 3.38Å
130V94.8Very high96.1Very high75 Ų7554.6 Ų54.646%0.45532%0.317SS..THydrogen-bonded Turntrans-56.2-40.5-176.7-179.60000112.1A124 L125 Q132 V133A124-V130 HydrophobicContact CB-CG2 4.25Å; L125-V130 HydrophobicContact CB-CG2 4.44Å; L125-V130 HydrophobicContact CD2-CG2 3.7Å; L125-V130 HydrophobicContact CG-CG2 3.94Å; V130-Q132 PolarHBondContact O-N 3.24Å; V130-V133 PolarHBondContact O-N 2.94Å
131T94.9Very high96.1Very high131 Ų13154.3 Ų54.380%0.80432%0.315SS*.THydrogen-bonded Turntrans-71.4-17.7178.852.80000113.3A129A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 3.44Å
132Q95.9Very high96.1Very high35 Ų3552.7 Ų52.716%0.16430%0.299CS..THydrogen-bonded Turntrans-82-28.9177.7-57.1176.510.700111.1S103 Y104 A129 V130 T134S103-Q132 CarbonylContact C-O 3.54Å; S103-Q132 VanDerWaalsContact CA-O 3.25Å; S103-Q132 WeakPolarHBondContact CA-O 3.45Å; S103-Q132 WeakPolarHBondContact CB-O 3.24Å; Y104-Q132 HydrophobicContact CD2-CB 3.85Å; Y104-Q132 HydrophobicContact CE2-CB 4.07Å; Y104-Q132 PolarHBondContact N-O 3.49Å; A129-Q132 WeakPolarHBondContact O-CB 3.38Å; A129-Q132 PolarHBondContact O-N 3.35Å; V130-Q132 PolarHBondContact O-N 3.24Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 PolarHBondContact O-OG1 3.15Å
133V97.1Very high96.1Very high35 Ų3549.5 Ų49.521%0.21228%0.277CS..EExtended strand (participates in β ladder)trans-7596.4174.5-175.20000109.7L96 L106 A124 A129 V130 V136L96-V133 HydrophobicContact CD1-CG2 4.3Å; L96-V133 HydrophobicContact CD2-CG2 3.69Å; L106-V133 HydrophobicContact CD1-CG1 4.21Å; A124-V133 HydrophobicContact CB-CG2 4.26Å; A129-V133 PolarHBondContact O-N 3.38Å; V130-V133 PolarHBondContact O-N 2.94Å; V133-V136 HydrophobicContact CG1-CG2 4.02Å
134T96.5Very high96.2Very high66 Ų6649.5 Ų49.541%0.40528%0.277SS..EExtended strand (participates in β ladder)trans-86.7-39.3-168.5-55.90000112.5Y104 Y105 Q132Y104-T134 PolarHBondContact O-N 3.46Å; Y105-T134 HydrophobicContact CE1-CG2 3.8Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 PolarHBondContact O-OG1 3.15Å
135K95.6Very high96.1Very high63 Ų6349.3 Ų49.327%0.27428%0.275SS..EExtended strand (participates in β ladder)trans-147.5143.9-176.7-75.2-175.7179.8-173.50110.8F19 Y105 L106 F137F19-K135 PolarHBondContact O-NZ 3.03Å; Y105-K135 HydrophobicContact CD1-CB 3.89Å; Y105-K135 HydrophobicContact CD1-CD 4.02Å; Y105-K135 HydrophobicContact CD1-CG 4.15Å; Y105-K135 HydrophobicContact CE1-CB 4.43Å; Y105-K135 HydrophobicContact CE1-CD 4.01Å; Y105-K135 HydrophobicContact CE1-CG 4.22Å; L106-K135 PolarHBondContact N-O 3.34Å; K135-F137 HydrophobicContact CB-CD2 3.96Å; K135-F137 HydrophobicContact CB-CE2 3.79Å; K135-F137 HydrophobicContact CD-CE2 3.73Å; K135-F137 HydrophobicContact CD-CZ 4.5Å; K135-F137 HydrophobicContact CG-CE2 3.93Å
136V97.1Very high96.1Very high58 Ų5843.6 Ų43.635%0.35225%0.245SC..EExtended strand (participates in β ladder)trans-129.7124.2171-172.80000108.4L106 F108 L117 V133L106-V136 HydrophobicContact CB-CG1 4.38Å; L106-V136 HydrophobicContact CB-CG2 4.3Å; L106-V136 HydrophobicContact CD1-CG2 4.29Å; L106-V136 CarbonylContact O-C 3.59Å; L106-V136 VanDerWaalsContact O-CA 3.29Å; L106-V136 WeakPolarHBondContact O-CA 3.05Å; F108-V136 HydrophobicContact CD2-CG1 4.24Å; F108-V136 HydrophobicContact CE2-CG1 3.82Å; L117-V136 HydrophobicContact CD1-CG1 4.09Å; V133-V136 HydrophobicContact CG1-CG2 4.02Å
137F96.1Very high96Very high69 Ų6939 Ų3930%0.30321%0.213SC..EExtended strand (participates in β ladder)trans-137.9139.6-176.9-80.6-101.7000112.3N20 L106 N107 F108 K135N20-F137 HydrophobicContact CB-CD1 4.41Å; N20-F137 HydrophobicContact CB-CD2 4.22Å; N20-F137 HydrophobicContact CB-CE1 4.14Å; N20-F137 HydrophobicContact CB-CE2 3.98Å; N20-F137 HydrophobicContact CB-CG 4.46Å; N20-F137 HydrophobicContact CB-CZ 3.92Å; L106-F137 PolarHBondContact O-N 3.5Å; N107-F137 CarbonylContact C-O 3.51Å; N107-F137 WeakPolarHBondContact CA-O 3.4Å; F108-F137 PolarHBondContact N-O 3.38Å; K135-F137 HydrophobicContact CB-CD2 3.96Å; K135-F137 HydrophobicContact CB-CE2 3.79Å; K135-F137 HydrophobicContact CD-CE2 3.73Å; K135-F137 HydrophobicContact CD-CZ 4.5Å; K135-F137 HydrophobicContact CG-CE2 3.93Å
138D95.6Very high96Very high54 Ų5441.4 Ų41.429%0.28922%0.224SC..EExtended strand (participates in β ladder)trans-86.7118.4160.8-60.6-36.1000108.8I112 Y140I112-D138 WeakPolarHBondContact CG2-OD1 3.18Å; I112-D138 PolarHBondContact N-OD1 2.95Å; D138-Y140 HydrophobicContact CB-CD2 4.27Å; D138-Y140 HydrophobicContact CB-CE2 3.74Å
139Q95.8Very high96Very high17 Ų1736.9 Ų36.98%0.07920%0.2CC..  trans-86.6-24.7-176.6-64-56.3-47.400113.7M16 N20 F81 N107 F108 L141M16-Q139 HydrophobicContact CG-CG 4.36Å; M16-Q139 HydrophobicContact SD-CG 4.23Å; N20-Q139 PolarHBondContact ND2-NE2 3.41Å; F81-Q139 HydrophobicContact CD2-CG 4.5Å; F81-Q139 HydrophobicContact CE2-CB 4.36Å; F81-Q139 HydrophobicContact CE2-CG 4.3Å; N107-Q139 HydrophobicContact CB-CG 3.81Å; N107-Q139 PolarHBondContact OD1-NE2 3.29Å; F108-Q139 WeakPolarHBondContact O-CB 3.36Å; F108-Q139 PolarHBondContact O-N 3.34Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 HydrophobicContact CB-CB 4.43Å; Q139-L141 HydrophobicContact CB-CD1 3.85Å; Q139-L141 HydrophobicContact CB-CG 3.85Å; Q139-L141 PolarHBondContact O-N 3.29Å
140Y95.5Very high96.1Very high44 Ų4436.9 Ų36.917%0.17320%0.2CC..  trans55.244.9-174.2-58-82.1000113.3I109 A111 D138 F188 C189 V192 T193 L230I109-Y140 CarbonylContact O-C 3.59Å; I109-Y140 WeakPolarHBondContact O-CA 3.5Å; I109-Y140 PolarHBondContact O-N 3.11Å; A111-Y140 HydrophobicContact CB-CE1 4.07Å; D138-Y140 HydrophobicContact CB-CD2 4.27Å; D138-Y140 HydrophobicContact CB-CE2 3.74Å; Y140-F188 HydrophobicContact CD1-CD1 4.42Å; Y140-F188 HydrophobicContact CD1-CE1 4.25Å; Y140-F188 HydrophobicContact CE1-CE1 4.07Å; Y140-C189 CarbonylContact O-C 3.43Å; Y140-C189 VanDerWaalsContact O-CB 3.32Å; Y140-C189 WeakPolarHBondContact O-CB 3.49Å; Y140-C189 VanDerWaalsContact O-O 3.12Å; Y140-V192 HydrophobicContact CD2-CG1 4.14Å; Y140-V192 HydrophobicContact CG-CB 4.49Å; Y140-V192 HydrophobicContact CG-CG1 3.98Å; Y140-T193 PolarHBondContact O-OG1 2.97Å; Y140-L230 HydrophobicContact CD1-CD1 4.35Å; Y140-L230 HydrophobicContact CD2-CD1 4.33Å; Y140-L230 HydrophobicContact CE1-CD1 3.81Å; Y140-L230 HydrophobicContact CE2-CD1 3.77Å; Y140-L230 HydrophobicContact CE2-CD2 3.98Å; Y140-L230 VanDerWaalsContact CZ-CD1 3.48Å
141L96.9Very high96.2Very high0 Ų033.3 Ų33.30%018%0.178CC..  trans-11224.6-178.3-60.4175.4000112.7Q9 A12 L13 I45 F81 I109 Q139 F143 T193Q9-L141 HydrophobicContact CG-CD2 4.02Å; A12-L141 HydrophobicContact CB-CD1 4.17Å; A12-L141 HydrophobicContact CB-CD2 3.71Å; L13-L141 HydrophobicContact CD2-CD1 3.56Å; L13-L141 HydrophobicContact CG-CD1 3.94Å; I45-L141 VanDerWaalsContact CD1-O 3.31Å; I45-L141 WeakPolarHBondContact CD1-O 3.31Å; F81-L141 HydrophobicContact CE2-CB 4.5Å; F81-L141 HydrophobicContact CE2-CD1 4.21Å; F81-L141 HydrophobicContact CZ-CB 4.24Å; F81-L141 HydrophobicContact CZ-CD1 4.24Å; I109-L141 PolarHBondContact O-N 3.04Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 HydrophobicContact CB-CB 4.43Å; Q139-L141 HydrophobicContact CB-CD1 3.85Å; Q139-L141 HydrophobicContact CB-CG 3.85Å; Q139-L141 PolarHBondContact O-N 3.29Å; L141-F143 PolarHBondContact O-N 3.44Å; L141-T193 HydrophobicContact CD2-CG2 4.23Å
142N97.1Very high96.4Very high13 Ų1327.4 Ų27.47%0.0714%0.141CC..  trans-74.763-177.4-166.132.5000113.3I109 S186 C189I109-N142 HydrophobicContact CG2-CB 3.81Å; N142-S186 PolarHBondContact ND2-OG 3.42Å; N142-S186 WeakPolarHBondContact O-CA 3.34Å; N142-S186 WeakPolarHBondContact O-CB 3.28Å; N142-C189 HydrophobicContact CB-CB 4.07Å
143F98Very high96.4Very high1 Ų125.8 Ų25.80%0.00413%0.134CC..SBendtrans-167.7164.2173.261-80.8000108.5V5 Q9 L141 T145 F151 C189 F190 T193V5-F143 HydrophobicContact CG2-CE2 4.17Å; Q9-F143 HydrophobicContact CB-CE2 4.34Å; Q9-F143 HydrophobicContact CB-CZ 4.34Å; Q9-F143 VanDerWaalsContact CD-CE2 3.44Å; Q9-F143 HydrophobicContact CG-CE2 4.12Å; Q9-F143 HydrophobicContact CG-CZ 4.03Å; Q9-F143 PolarHBondContact NE2-O 3.06Å; L141-F143 PolarHBondContact O-N 3.44Å; F143-T145 HydrophobicContact CD2-CG2 4.01Å; F143-T145 HydrophobicContact CE2-CG2 3.74Å; F143-F151 HydrophobicContact CB-CD2 4.26Å; F143-F151 HydrophobicContact CD2-CB 4.25Å; F143-F151 HydrophobicContact CD2-CD2 4.45Å; F143-C189 HydrophobicContact CD1-CB 4.36Å; F143-F190 HydrophobicContact CD1-CB 3.98Å; F143-F190 HydrophobicContact CD2-CD2 4.07Å; F143-F190 HydrophobicContact CE1-CB 4.19Å; F143-F190 HydrophobicContact CE2-CD2 4.01Å; F143-F190 HydrophobicContact CG-CB 4.22Å; F143-F190 HydrophobicContact CG-CD2 4.47Å; F143-F190 HydrophobicContact CZ-CD2 4.38Å; F143-T193 HydrophobicContact CE1-CG2 4.42Å; F143-T193 HydrophobicContact CZ-CG2 3.82Å
144I97.9Very high96Very high4 Ų424.9 Ų24.92%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-121.8125.2-179.1-56.8164.8000108.6D44 I45 P48 L146 F151 I152 N155 L279D44-I144 HydrophobicContact CB-CD1 3.79Å; I45-I144 HydrophobicContact CG1-CG1 3.96Å; P48-I144 HydrophobicContact CG-CG2 3.88Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 4.47Å; I144-F151 CarbonylContact O-C 3.6Å; I144-F151 WeakPolarHBondContact O-CA 3.38Å; I144-F151 WeakPolarHBondContact O-CB 3.33Å; I144-I152 HydrophobicContact CB-CD1 4.34Å; I144-I152 HydrophobicContact CB-CG1 3.75Å; I144-I152 HydrophobicContact CD1-CD1 4.18Å; I144-I152 HydrophobicContact CD1-CG1 4.28Å; I144-I152 HydrophobicContact CG1-CG1 4.48Å; I144-I152 HydrophobicContact CG2-CG1 4.39Å; I144-I152 PolarHBondContact N-O 3.25Å; I144-I152 PolarHBondContact O-N 2.94Å; I144-N155 HydrophobicContact CD1-CB 3.85Å; I144-L279 HydrophobicContact CD1-CD2 4.1Å; I144-L279 HydrophobicContact CG2-CD2 4.06Å
145T96.8Very high95.7Very high0 Ų023.4 Ų23.40%012%0.118CC..EExtended strand (participates in β ladder)trans-95.4124.1171.650.40000110.7V5 Q9 L49 F143 M150 F151V5-T145 HydrophobicContact CB-CG2 4.48Å; V5-T145 HydrophobicContact CG1-CG2 3.73Å; V5-T145 HydrophobicContact CG2-CG2 4.14Å; Q9-T145 PolarHBondContact OE1-OG1 3.41Å; L49-T145 WeakPolarHBondContact CD2-OG1 3.46Å; F143-T145 HydrophobicContact CD2-CG2 4.01Å; F143-T145 HydrophobicContact CE2-CG2 3.74Å; T145-M150 WeakPolarHBondContact CA-O 3.4Å; T145-F151 HydrophobicContact CG2-CB 3.95Å
146L95.4Very high95.5Very high2 Ų223 Ų231%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-101.1-33.7-180-62177.7000111.3R6 P48 I144 M150 I152 L279 N280 L618R6-L146 PolarHBondContact NH1-O 2.9Å; P48-L146 HydrophobicContact CB-CD2 4.26Å; P48-L146 HydrophobicContact CG-CD2 4.15Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 4.47Å; L146-M150 PolarHBondContact N-O 2.84Å; L146-I152 HydrophobicContact CD1-CD1 4.22Å; L146-I152 HydrophobicContact CD1-CG2 4.17Å; L146-L279 HydrophobicContact CD2-CD2 4.09Å; L146-N280 PolarHBondContact O-ND2 3.34Å; L146-L618 HydrophobicContact CD1-CD2 3.64Å
147E95.1Very high95.2Very high0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-129.6170.9176.2-56.4-66.8171.900110D149 M150 Q268 K320 Y596E147-D149 PolarHBondContact O-N 3.04Å; E147-M150 HydrophobicContact CB-CB 3.69Å; E147-M150 HydrophobicContact CG-CB 4.09Å; E147-M150 HydrophobicContact CG-SD 4.43Å; E147-M150 PolarHBondContact O-N 3.41Å; E147-Q268 PolarHBondContact OE1-NE2 3.42Å; E147-K320 IonicContact OE1-NZ 3.95Å; E147-K320 IonicContact OE2-NZ 3.67Å; E147-K320 PolarHBondContact OE2-NZ 3.23Å; E147-Y596 WeakPolarHBondContact CB-OH 3.26Å; E147-Y596 HydrophobicContact CG-CE1 4Å
148D94.3Very high94.9Very high67 Ų6722.3 Ų22.336%0.35811%0.113SC..THydrogen-bonded Turntrans-61.6-26.9178.2-78.9-36.7000113.6S4 V5S4-D148 WeakPolarHBondContact CB-O 3.49Å; S4-D148 PolarHBondContact OG-OD1 3.29Å; V5-D148 WeakPolarHBondContact CG1-O 3.36Å
149D95.1Very high94.7Very high41 Ų4124.8 Ų24.822%0.21912%0.123CC..THydrogen-bonded Turntrans-125.823-17758.7-17.7000112.2E147 Y596 L612 Y613E147-D149 PolarHBondContact O-N 3.04Å; D149-Y596 VanDerWaalsContact OD1-CE2 3.28Å; D149-Y596 WeakPolarHBondContact OD1-CE2 3.08Å; D149-Y596 PolarHBondContact OD1-OH 2.97Å; D149-L612 CarbonylContact O-C 3.5Å; D149-L612 WeakPolarHBondContact O-CA 3.25Å; D149-Y613 PolarHBondContact O-N 2.88Å
150M96.7Very high94.5Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-137.2135.5176.6-171.7179.6178.100113.4T145 L146 E147 I152 Y593 Y596 Y613 L618T145-M150 WeakPolarHBondContact CA-O 3.4Å; L146-M150 PolarHBondContact N-O 2.84Å; E147-M150 HydrophobicContact CB-CB 3.69Å; E147-M150 HydrophobicContact CG-CB 4.09Å; E147-M150 HydrophobicContact CG-SD 4.43Å; E147-M150 PolarHBondContact O-N 3.41Å; M150-I152 HydrophobicContact CE-CG2 4.4Å; M150-Y593 HydrophobicContact CE-CD1 4.26Å; M150-Y593 HydrophobicContact CE-CE1 3.95Å; M150-Y593 HydrophobicContact SD-CD1 4.05Å; M150-Y593 HydrophobicContact SD-CE1 3.61Å; M150-Y596 HydrophobicContact CB-CD2 4.04Å; M150-Y596 HydrophobicContact CB-CE2 3.84Å; M150-Y596 HydrophobicContact CG-CD2 4.28Å; M150-Y596 HydrophobicContact SD-CD1 4.21Å; M150-Y596 HydrophobicContact SD-CD2 4.18Å; M150-Y596 HydrophobicContact SD-CG 3.96Å; M150-Y613 CarbonylContact C-O 3.44Å; M150-Y613 VanDerWaalsContact CA-O 3.25Å; M150-Y613 WeakPolarHBondContact CA-O 3.47Å; M150-Y613 HydrophobicContact CE-CD1 4.21Å; M150-Y613 HydrophobicContact CE-CE1 4.16Å; M150-Y613 HydrophobicContact CG-CD1 4.1Å; M150-L618 HydrophobicContact CE-CD1 3.49Å; M150-L618 VanDerWaalsContact CE-CD1 3.49Å; M150-L618 HydrophobicContact CE-CD2 3.67Å; M150-L618 HydrophobicContact CE-CG 4.18Å
151F97.9Very high94.5Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-138.6158.1170.376.5-73.6000113.4F143 I144 T145 L153 L187 F190 I584 F586 L612 Y613 G614 C615F143-F151 HydrophobicContact CB-CD2 4.26Å; F143-F151 HydrophobicContact CD2-CB 4.25Å; F143-F151 HydrophobicContact CD2-CD2 4.45Å; I144-F151 CarbonylContact O-C 3.6Å; I144-F151 WeakPolarHBondContact O-CA 3.38Å; I144-F151 WeakPolarHBondContact O-CB 3.33Å; T145-F151 HydrophobicContact CG2-CB 3.95Å; F151-L153 HydrophobicContact CD2-CD2 4.24Å; F151-L153 HydrophobicContact CE2-CD2 3.8Å; F151-L187 HydrophobicContact CE2-CD2 4Å; F151-L187 HydrophobicContact CZ-CD2 3.96Å; F151-F190 HydrophobicContact CD1-CD2 4.02Å; F151-F190 AromaticContact CD1-CE2 3.54Å; F151-F190 HydrophobicContact CD1-CE2 3.54Å; F151-F190 HydrophobicContact CD1-CZ 4.14Å; F151-F190 AromaticContact CD2-CD2 3.82Å; F151-F190 HydrophobicContact CD2-CD2 3.82Å; F151-F190 HydrophobicContact CD2-CE2 4.21Å; F151-F190 HydrophobicContact CD2-CG 4.42Å; F151-F190 HydrophobicContact CE1-CD2 4.05Å; F151-F190 HydrophobicContact CE1-CE1 4.33Å; F151-F190 AromaticContact CE1-CE2 3.6Å; F151-F190 HydrophobicContact CE1-CE2 3.6Å; F151-F190 AromaticContact CE1-CZ 3.79Å; F151-F190 HydrophobicContact CE1-CZ 3.79Å; F151-F190 HydrophobicContact CE2-CB 4.42Å; F151-F190 AromaticContact CE2-CD2 3.86Å; F151-F190 HydrophobicContact CE2-CD2 3.86Å; F151-F190 HydrophobicContact CE2-CE2 4.27Å; F151-F190 HydrophobicContact CE2-CG 4.06Å; F151-F190 AromaticContact CG-CD2 3.88Å; F151-F190 HydrophobicContact CG-CD2 3.88Å; F151-F190 AromaticContact CG-CE2 3.84Å; F151-F190 HydrophobicContact CG-CE2 3.84Å; F151-F190 HydrophobicContact CZ-CD1 4.28Å; F151-F190 AromaticContact CZ-CD2 3.96Å; F151-F190 HydrophobicContact CZ-CD2 3.96Å; F151-F190 HydrophobicContact CZ-CE1 4.32Å; F151-F190 AromaticContact CZ-CE2 3.96Å; F151-F190 HydrophobicContact CZ-CE2 3.96Å; F151-F190 HydrophobicContact CZ-CG 4.12Å; F151-F190 HydrophobicContact CZ-CZ 4.17Å; F151-I584 HydrophobicContact CE1-CG2 4.25Å; F151-F586 HydrophobicContact CE1-CD2 4.45Å; F151-F586 AromaticContact CE2-CD2 3.98Å; F151-F586 HydrophobicContact CE2-CD2 3.98Å; F151-F586 AromaticContact CE2-CE2 3.98Å; F151-F586 HydrophobicContact CE2-CE2 3.98Å; F151-F586 AromaticContact CZ-CD2 3.62Å; F151-F586 HydrophobicContact CZ-CD2 3.62Å; F151-F586 HydrophobicContact CZ-CE2 4.12Å; F151-L612 HydrophobicContact CD1-CD2 3.34Å; F151-L612 HydrophobicContact CE1-CD2 3.36Å; F151-Y613 VanDerWaalsContact CD1-O 3.3Å; F151-Y613 WeakPolarHBondContact CD1-O 2.95Å; F151-Y613 PolarHBondContact N-O 3.13Å; F151-G614 WeakPolarHBondContact O-CA 3.21Å; F151-C615 PolarHBondContact O-N 3.22Å
152I97.8Very high94.4Very high6 Ų627 Ų273%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-128.1157171.966.8171.3000108.6I144 L146 M150 L279 L618I144-I152 HydrophobicContact CB-CD1 4.34Å; I144-I152 HydrophobicContact CB-CG1 3.75Å; I144-I152 HydrophobicContact CD1-CD1 4.18Å; I144-I152 HydrophobicContact CD1-CG1 4.28Å; I144-I152 HydrophobicContact CG1-CG1 4.48Å; I144-I152 HydrophobicContact CG2-CG1 4.39Å; I144-I152 PolarHBondContact N-O 3.25Å; I144-I152 PolarHBondContact O-N 2.94Å; L146-I152 HydrophobicContact CD1-CD1 4.22Å; L146-I152 HydrophobicContact CD1-CG2 4.17Å; M150-I152 HydrophobicContact CE-CG2 4.4Å; I152-L279 HydrophobicContact CD1-CD2 4.45Å; I152-L618 HydrophobicContact CG2-CB 3.8Å; I152-L618 HydrophobicContact CG2-CD2 4.4Å
153L96.5Very high94.4Very high2 Ų226.4 Ų26.41%0.0114%0.135CC..SBendtrans-78.9-48.5-177.3-60.1-167.9000112.7F151 I161 I183 L187 F586 C615 S616F151-L153 HydrophobicContact CD2-CD2 4.24Å; F151-L153 HydrophobicContact CE2-CD2 3.8Å; L153-I161 HydrophobicContact CB-CD1 4Å; L153-I161 HydrophobicContact CD1-CD1 4.32Å; L153-I183 HydrophobicContact CD1-CB 4.03Å; L153-I183 HydrophobicContact CD1-CG1 4.01Å; L153-I183 HydrophobicContact CD1-CG2 3.84Å; L153-L187 HydrophobicContact CD2-CD2 4.24Å; L153-L187 HydrophobicContact CD2-CG 4.4Å; L153-F586 HydrophobicContact CD1-CE2 4.16Å; L153-F586 HydrophobicContact CD1-CZ 3.56Å; L153-F586 HydrophobicContact CD2-CE2 3.7Å; L153-F586 HydrophobicContact CD2-CZ 3.99Å; L153-F586 HydrophobicContact CG-CE2 3.83Å; L153-F586 HydrophobicContact CG-CZ 3.72Å; L153-C615 PolarHBondContact N-O 3.49Å; L153-S616 PolarHBondContact N-O 2.96Å
154C89.2Confident94.3Very high16 Ų1629.1 Ų29.111%0.10815%0.148CC..  trans-150.3160.917767.50000111.6Q156 I161C154-Q156 WeakPolarHBondContact CB-O 3.25Å; C154-Q156 PolarHBondContact SG-O 3.23Å; C154-I161 WeakPolarHBondContact SG-CD1 3.18Å
155N89.7Confident94.2Very high34 Ų3429.4 Ų29.418%0.18215%0.151CC..SBendtrans-113.4-40.2169.1174.371.2000110.6D44 I144 L279D44-N155 HydrophobicContact CB-CB 4.46Å; D44-N155 WeakPolarHBondContact OD2-CB 3.44Å; D44-N155 PolarHBondContact OD2-ND2 2.8Å; I144-N155 HydrophobicContact CD1-CB 3.85Å; N155-L279 HydrophobicContact CB-CD1 4.49Å; N155-L279 HydrophobicContact CB-CD2 4.06Å
156Q90.8Very high94.1Very high54 Ų5430 Ų3025%0.25215%0.153SC..THydrogen-bonded Turntrans-67.5139.4164.5-57.2-52.7-50.600111R40 F41 D44 C154 K158R40-Q156 HydrophobicContact CB-CG 3.74Å; F41-Q156 HydrophobicContact CD1-CB 3.92Å; F41-Q156 HydrophobicContact CD1-CG 4.38Å; F41-Q156 HydrophobicContact CD2-CB 4.22Å; F41-Q156 HydrophobicContact CD2-CG 4.31Å; F41-Q156 HydrophobicContact CE1-CB 3.55Å; F41-Q156 HydrophobicContact CE1-CG 4.45Å; F41-Q156 HydrophobicContact CE2-CB 3.86Å; F41-Q156 HydrophobicContact CE2-CG 4.36Å; F41-Q156 HydrophobicContact CG-CB 4.24Å; F41-Q156 HydrophobicContact CG-CG 4.3Å; F41-Q156 HydrophobicContact CZ-CB 3.5Å; F41-Q156 HydrophobicContact CZ-CG 4.43Å; D44-Q156 WeakPolarHBondContact OD2-CG 3.27Å; D44-Q156 PolarHBondContact OD2-NE2 3.37Å; C154-Q156 WeakPolarHBondContact CB-O 3.25Å; C154-Q156 PolarHBondContact SG-O 3.23Å; Q156-K158 PolarHBondContact O-N 3.27Å; Q156-K158 VanDerWaalsContact O-N 3.09Å
157N90.9Very high94Very high78 Ų7831.8 Ų31.842%0.41716%0.163SC..THydrogen-bonded Turntrans5326.9178.5-56.3-8.7000114.4E159 L160N157-E159 WeakPolarHBondContact CA-OE1 3.48Å; N157-E159 VanDerWaalsContact CA-OE2 3.3Å; N157-E159 WeakPolarHBondContact CA-OE2 3.47Å; N157-E159 PolarHBondContact O-N 2.95Å; N157-E159 VanDerWaalsContact O-N 3.17Å; N157-L160 HydrophobicContact CB-CD1 3.81Å; N157-L160 HydrophobicContact CB-CG 4.12Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 2.81Å
158K90.6Very high93.8Very high36 Ų3633.9 Ų33.916%0.15717%0.172CC..G310 helixtrans-60-26.8-177.563.6179.1-178.6176.80112.6Q156 L160 I161 S162 E617Q156-K158 PolarHBondContact O-N 3.27Å; Q156-K158 VanDerWaalsContact O-N 3.09Å; K158-L160 PolarHBondContact O-N 2.94Å; K158-I161 CarbonylContact O-C 3.5Å; K158-I161 WeakPolarHBondContact O-CG1 3.2Å; K158-I161 PolarHBondContact O-N 3.43Å; K158-I161 VanDerWaalsContact O-N 3.12Å; K158-S162 PolarHBondContact O-N 3.19Å; K158-E617 HydrophobicContact CB-CB 4.1Å
159E90.8Very high93.5Very high106 Ų10636.3 Ų36.350%0.49519%0.191SC..G310 helixtrans-59.1-26.9173.870.5-72.9171.400113.3N157 I161 S162 A165N157-E159 WeakPolarHBondContact CA-OE1 3.48Å; N157-E159 VanDerWaalsContact CA-OE2 3.3Å; N157-E159 WeakPolarHBondContact CA-OE2 3.47Å; N157-E159 PolarHBondContact O-N 2.95Å; N157-E159 VanDerWaalsContact O-N 3.17Å; E159-I161 VanDerWaalsContact C-N 3.3Å; E159-I161 PolarHBondContact O-N 3.49Å; E159-S162 WeakPolarHBondContact O-CB 3.48Å; E159-S162 PolarHBondContact O-N 2.97Å; E159-S162 PolarHBondContact O-OG 3.18Å; E159-A165 WeakPolarHBondContact O-CB 3.39Å
160L92.6Very high93.2Very high100 Ų10039.4 Ų39.452%0.52421%0.208SC..G310 helixtrans-72.2-23178.4-59.3-177.1000113N157 K158 A165 I179N157-L160 HydrophobicContact CB-CD1 3.81Å; N157-L160 HydrophobicContact CB-CG 4.12Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 2.81Å; K158-L160 PolarHBondContact O-N 2.94Å; L160-A165 WeakPolarHBondContact O-CB 3.48Å; L160-I179 WeakPolarHBondContact O-CG1 3.38Å
161I94.6Very high93Very high4 Ų441 Ų412%0.02122%0.217CC..G310 helixtrans-11719.1178.964.7170.7000112.1L153 C154 K158 E159 I179 T182 I183 S616L153-I161 HydrophobicContact CB-CD1 4Å; L153-I161 HydrophobicContact CD1-CD1 4.32Å; C154-I161 WeakPolarHBondContact SG-CD1 3.18Å; K158-I161 CarbonylContact O-C 3.5Å; K158-I161 WeakPolarHBondContact O-CG1 3.2Å; K158-I161 PolarHBondContact O-N 3.43Å; K158-I161 VanDerWaalsContact O-N 3.12Å; E159-I161 VanDerWaalsContact C-N 3.3Å; E159-I161 PolarHBondContact O-N 3.49Å; I161-I179 HydrophobicContact CB-CG2 4.49Å; I161-I179 HydrophobicContact CG2-CG2 4.25Å; I161-T182 HydrophobicContact CG2-CG2 3.98Å; I161-I183 HydrophobicContact CB-CD1 4.43Å; I161-I183 HydrophobicContact CB-CG1 4.26Å; I161-I183 HydrophobicContact CG2-CG1 4.19Å; I161-S616 WeakPolarHBondContact CD1-O 3.47Å; I161-S616 PolarHBondContact O-OG 3.13Å
162S95.8Very high92.8Very high3 Ų346.1 Ų46.12%0.02124%0.242CC..SBendtrans-76.2166.9-176.866.30000113K158 E159 H164 A165 I166 E617K158-S162 PolarHBondContact O-N 3.19Å; E159-S162 WeakPolarHBondContact O-CB 3.48Å; E159-S162 PolarHBondContact O-N 2.97Å; E159-S162 PolarHBondContact O-OG 3.18Å; S162-H164 PolarHBondContact O-N 3.29Å; S162-A165 PolarHBondContact O-N 3.35Å; S162-A165 PolarHBondContact OG-N 3.44Å; S162-A165 VanDerWaalsContact OG-N 3.13Å; S162-I166 WeakPolarHBondContact O-CG1 3.43Å; S162-I166 PolarHBondContact O-N 3.01Å; S162-E617 VanDerWaalsContact CA-OE1 3.24Å; S162-E617 WeakPolarHBondContact CA-OE1 3.48Å; S162-E617 WeakPolarHBondContact CB-OE1 3.45Å; S162-E617 WeakPolarHBondContact CB-OE2 3.5Å
163Y96.4Very high92.6Very high1 Ų152.5 Ų52.50%0.00428%0.276CS..Hα-helixtrans-58-40.6171.6-177.1-101.1000111.6I166 N167 R253 N254 L257 Y484 G589 E617 F624 Q627 L628 L631Y163-I166 PolarHBondContact O-N 3.1Å; Y163-N167 VanDerWaalsContact CD2-ND2 3.34Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.49Å; Y163-N167 VanDerWaalsContact CE2-ND2 3.31Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.15Å; Y163-N167 WeakPolarHBondContact O-CB 3.32Å; Y163-N167 PolarHBondContact O-N 3.36Å; Y163-N167 VanDerWaalsContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 2.73Å; Y163-R253 HydrophobicContact CD2-CB 3.69Å; Y163-R253 HydrophobicContact CD2-CG 3.62Å; Y163-R253 HydrophobicContact CE2-CB 4Å; Y163-R253 HydrophobicContact CE2-CG 3.93Å; Y163-R253 HydrophobicContact CG-CG 4.28Å; Y163-N254 PolarHBondContact OH-OD1 3.38Å; Y163-L257 HydrophobicContact CE2-CD2 4.19Å; Y163-Y484 AromaticContact CE1-CE1 3.82Å; Y163-Y484 HydrophobicContact CE1-CE1 3.82Å; Y163-Y484 PolarHBondContact OH-OH 2.72Å; Y163-G589 WeakPolarHBondContact CB-O 3.38Å; Y163-E617 PolarHBondContact N-OE1 3.3Å; Y163-F624 AromaticContact CD1-CE2 3.99Å; Y163-F624 HydrophobicContact CD1-CE2 3.99Å; Y163-F624 HydrophobicContact CG-CE2 4.07Å; Y163-Q627 VanDerWaalsContact CB-OE1 3.31Å; Y163-Q627 VanDerWaalsContact N-OE1 3.1Å; Y163-L628 HydrophobicContact CD1-CD2 4.25Å; Y163-L628 HydrophobicContact CE1-CD2 3.83Å; Y163-L631 HydrophobicContact CD1-CD1 3.89Å; Y163-L631 HydrophobicContact CE1-CD1 3.77Å
164H96.1Very high92.5Very high58 Ų5857.7 Ų57.727%0.26931%0.307SS..Hα-helixtrans-57.4-51173.8173.1-83.5000112.2S162 I166 N167 K168 Q627 S630 L631S162-H164 PolarHBondContact O-N 3.29Å; H164-I166 PolarHBondContact O-N 3.38Å; H164-N167 PolarHBondContact O-N 2.66Å; H164-N167 VanDerWaalsContact O-N 3.14Å; H164-K168 PolarHBondContact O-N 2.67Å; H164-Q627 HydrophobicContact CB-CB 3.95Å; H164-Q627 HydrophobicContact CB-CG 4.08Å; H164-S630 VanDerWaalsContact CD2-CB 3.43Å; H164-S630 WeakPolarHBondContact CD2-CB 3.29Å; H164-L631 HydrophobicContact CB-CG 4.47Å
165A95.1Very high92.8Very high10 Ų1060.7 Ų60.78%0.08332%0.32CS..Hα-helixtrans-59.3-37.5-17700000112.5E159 L160 S162 I171 I179E159-A165 WeakPolarHBondContact O-CB 3.39Å; L160-A165 WeakPolarHBondContact O-CB 3.48Å; S162-A165 PolarHBondContact O-N 3.35Å; S162-A165 PolarHBondContact OG-N 3.44Å; S162-A165 VanDerWaalsContact OG-N 3.13Å; A165-I171 WeakPolarHBondContact O-CD1 3.27Å; A165-I179 HydrophobicContact CB-CD1 4Å
166I94.6Very high93Very high12 Ų1260.7 Ų60.76%0.06232%0.319CS..Hα-helixtrans-76.3-27.5-179.3-61.8166.1000112S162 Y163 H164 M176 I179 M180 A207 V588S162-I166 WeakPolarHBondContact O-CG1 3.43Å; S162-I166 PolarHBondContact O-N 3.01Å; Y163-I166 PolarHBondContact O-N 3.1Å; H164-I166 PolarHBondContact O-N 3.38Å; I166-M176 HydrophobicContact CG2-CE 4.37Å; I166-M176 HydrophobicContact CG2-SD 4.22Å; I166-M176 WeakPolarHBondContact O-CE 3.21Å; I166-I179 HydrophobicContact CD1-CG2 4.49Å; I166-I179 HydrophobicContact CG1-CG2 4Å; I166-M180 HydrophobicContact CD1-CE 4.37Å; I166-M180 HydrophobicContact CG1-CE 4.17Å; I166-M180 HydrophobicContact CG2-CE 4.13Å; I166-A207 HydrophobicContact CG2-CB 3.86Å; I166-V588 HydrophobicContact CD1-CG1 3.85Å
167N93.6Very high93.2Very high40 Ų4062 Ų6221%0.21433%0.325CS..Hα-helixtrans-112.68.9-171.6-64.9-88.6000114.3Y163 H164 Y484 L631Y163-N167 VanDerWaalsContact CD2-ND2 3.34Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.49Å; Y163-N167 VanDerWaalsContact CE2-ND2 3.31Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.15Å; Y163-N167 WeakPolarHBondContact O-CB 3.32Å; Y163-N167 PolarHBondContact O-N 3.36Å; Y163-N167 VanDerWaalsContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 2.73Å; H164-N167 PolarHBondContact O-N 2.66Å; H164-N167 VanDerWaalsContact O-N 3.14Å; N167-Y484 WeakPolarHBondContact CB-OH 3.39Å; N167-L631 HydrophobicContact CB-CD1 4.04Å; N167-L631 HydrophobicContact CB-CD2 4.34Å; N167-L631 WeakPolarHBondContact O-CD2 3.43Å
168K92.1Very high93.4Very high43 Ų4360.8 Ų60.819%0.18733%0.326CS..  trans-63.2135177.366.5177.7-179.51520110.4H164 D170 I171 E175 L631H164-K168 PolarHBondContact O-N 2.67Å; K168-D170 PolarHBondContact O-N 2.96Å; K168-D170 VanDerWaalsContact O-N 3.15Å; K168-I171 HydrophobicContact CD-CB 4.34Å; K168-I171 HydrophobicContact CG-CB 3.67Å; K168-I171 VanDerWaalsContact O-CG2 3.3Å; K168-I171 WeakPolarHBondContact O-CG2 3.28Å; K168-I171 PolarHBondContact O-N 3.4Å; K168-E175 WeakPolarHBondContact CE-OE2 3.49Å; K168-E175 IonicContact NZ-OE1 2.7Å; K168-E175 IonicContact NZ-OE2 3.59Å; K168-E175 PolarHBondContact NZ-OE2 3.11Å; K168-L631 HydrophobicContact CB-CD2 4.29Å
169P86.4Confident93.7Very high118 Ų11860 Ų6077%0.76632%0.324SS*.THydrogen-bonded Turntrans-62.2-24-173.8-24.834.1000115.2
170D89.4Confident94Very high106 Ų10655 Ų5557%0.56730%0.3SS*.THydrogen-bonded Turntrans-102.715.2-175.866.9-29.7000113K168 M172K168-D170 PolarHBondContact O-N 2.96Å; K168-D170 VanDerWaalsContact O-N 3.15Å; D170-M172 WeakPolarHBondContact O-CE 3.25Å; D170-M172 PolarHBondContact O-N 3.13Å
171I92.6Very high94.2Very high35 Ų3553.5 Ų53.518%0.17929%0.293CS..  trans-62.3129.2177.6-171.8152.8000111.7A165 K168 E175 M176 I179A165-I171 WeakPolarHBondContact O-CD1 3.27Å; K168-I171 HydrophobicContact CD-CB 4.34Å; K168-I171 HydrophobicContact CG-CB 3.67Å; K168-I171 VanDerWaalsContact O-CG2 3.3Å; K168-I171 WeakPolarHBondContact O-CG2 3.28Å; K168-I171 PolarHBondContact O-N 3.4Å; I171-E175 HydrophobicContact CG1-CB 4.17Å; I171-M176 HydrophobicContact CD1-CB 4.08Å; I171-M176 HydrophobicContact CD1-CE 3.67Å; I171-M176 HydrophobicContact CD1-SD 4.13Å; I171-M176 HydrophobicContact CG1-CB 4.24Å; I171-M176 HydrophobicContact CG1-CE 4.25Å; I171-M176 HydrophobicContact CG2-CE 4Å; I171-I179 HydrophobicContact CD1-CD1 3.96Å
172M93.8Very high94.2Very high107 Ų10756.6 Ų56.653%0.52731%0.312SS..  trans-84.7146.7172.6-61.6-65.1101.600110.3D170 T174 E175 M176D170-M172 WeakPolarHBondContact O-CE 3.25Å; D170-M172 PolarHBondContact O-N 3.13Å; M172-T174 PolarHBondContact O-N 2.9Å; M172-T174 VanDerWaalsContact O-N 3.14Å; M172-E175 HydrophobicContact CB-CG 4.16Å; M172-E175 PolarHBondContact N-OE2 2.98Å; M172-E175 WeakPolarHBondContact O-CB 3.42Å; M172-E175 PolarHBondContact O-N 2.96Å; M172-M176 PolarHBondContact O-N 3.01Å
173D92.6Very high94.4Very high140 Ų14056.4 Ų56.475%0.74931%0.311SS*.Hα-helixtrans-53.3-38.2177.3-69.3-15.3000112.1E175 M176 E177D173-E175 VanDerWaalsContact C-N 3.35Å; D173-E175 PolarHBondContact O-N 2.71Å; D173-M176 WeakPolarHBondContact O-CB 3.25Å; D173-M176 PolarHBondContact O-N 3.24Å; D173-E177 WeakPolarHBondContact O-CB 3.37Å; D173-E177 WeakPolarHBondContact O-CG 3.46Å; D173-E177 PolarHBondContact O-N 3.31Å
174T95.4Very high94.4Very high110 Ų11056.5 Ų56.568%0.67531%0.311SS*.Hα-helixtrans-65-36.2177.152.20000113.2M172 A178M172-T174 PolarHBondContact O-N 2.9Å; M172-T174 VanDerWaalsContact O-N 3.14Å; T174-A178 PolarHBondContact O-N 3.48Å; T174-A178 VanDerWaalsContact O-N 3.13Å
175E94.8Very high94.4Very high80 Ų8056.7 Ų56.737%0.37432%0.315SS..Hα-helixtrans-72-43.6176.5-65.3179.1143.700110.1K168 I171 M172 D173 E177 A178 I179K168-E175 WeakPolarHBondContact CE-OE2 3.49Å; K168-E175 IonicContact NZ-OE1 2.7Å; K168-E175 IonicContact NZ-OE2 3.59Å; K168-E175 PolarHBondContact NZ-OE2 3.11Å; I171-E175 HydrophobicContact CG1-CB 4.17Å; M172-E175 HydrophobicContact CB-CG 4.16Å; M172-E175 PolarHBondContact N-OE2 2.98Å; M172-E175 WeakPolarHBondContact O-CB 3.42Å; M172-E175 PolarHBondContact O-N 2.96Å; D173-E175 VanDerWaalsContact C-N 3.35Å; D173-E175 PolarHBondContact O-N 2.71Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.17Å; E175-A178 PolarHBondContact O-N 3.38Å; E175-I179 VanDerWaalsContact O-CG1 3.29Å; E175-I179 WeakPolarHBondContact O-CG1 3.46Å; E175-I179 PolarHBondContact O-N 3.47Å
176M94.4Very high94.6Very high34 Ų3456.4 Ų56.417%0.16731%0.312CS..Hα-helixtrans-54.9-48.5173.5-175.567.775.100111I166 I171 M172 D173 A178 I179 M180 M210I166-M176 HydrophobicContact CG2-CE 4.37Å; I166-M176 HydrophobicContact CG2-SD 4.22Å; I166-M176 WeakPolarHBondContact O-CE 3.21Å; I171-M176 HydrophobicContact CD1-CB 4.08Å; I171-M176 HydrophobicContact CD1-CE 3.67Å; I171-M176 HydrophobicContact CD1-SD 4.13Å; I171-M176 HydrophobicContact CG1-CB 4.24Å; I171-M176 HydrophobicContact CG1-CE 4.25Å; I171-M176 HydrophobicContact CG2-CE 4Å; M172-M176 PolarHBondContact O-N 3.01Å; D173-M176 WeakPolarHBondContact O-CB 3.25Å; D173-M176 PolarHBondContact O-N 3.24Å; M176-A178 VanDerWaalsContact C-N 3.34Å; M176-A178 PolarHBondContact O-N 3.19Å; M176-I179 PolarHBondContact O-N 3.3Å; M176-M180 HydrophobicContact CG-CE 4.3Å; M176-M180 VanDerWaalsContact O-CG 3.29Å; M176-M180 WeakPolarHBondContact O-CG 3.4Å; M176-M180 PolarHBondContact O-N 3.23Å; M176-M180 HydrophobicContact SD-CE 3.32Å; M176-M180 WeakPolarHBondContact SD-CE 3.42Å; M176-M210 HydrophobicContact CG-CE 3.83Å; M176-M210 HydrophobicContact CG-SD 4.02Å
177E95.2Very high94.7Very high81 Ų8155.9 Ų55.938%0.37931%0.309SS..Hα-helixtrans-58.9-43.2177.7-73.2-72.1131.900112.1D173 E175 M180 D181 M210 K214D173-E177 WeakPolarHBondContact O-CB 3.37Å; D173-E177 WeakPolarHBondContact O-CG 3.46Å; D173-E177 PolarHBondContact O-N 3.31Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.17Å; E177-M180 PolarHBondContact O-N 3.4Å; E177-D181 WeakPolarHBondContact O-CB 3.49Å; E177-D181 VanDerWaalsContact O-CG 3.26Å; E177-D181 PolarHBondContact O-N 2.87Å; E177-M210 WeakPolarHBondContact OE1-CE 3.26Å; E177-K214 WeakPolarHBondContact OE2-CE 3.45Å; E177-K214 IonicContact OE2-NZ 3.26Å; E177-K214 PolarHBondContact OE2-NZ 2.99Å
178A95.8Very high94.9Very high53 Ų5354.5 Ų54.544%0.43830%0.301SS..Hα-helixtrans-65.7-38.8177.900000113.1T174 E175 M176 D181 T182T174-A178 PolarHBondContact O-N 3.48Å; T174-A178 VanDerWaalsContact O-N 3.13Å; E175-A178 PolarHBondContact O-N 3.38Å; M176-A178 VanDerWaalsContact C-N 3.34Å; M176-A178 PolarHBondContact O-N 3.19Å; A178-D181 PolarHBondContact O-N 2.9Å; A178-T182 PolarHBondContact O-N 2.84Å; A178-T182 PolarHBondContact O-OG1 2.95Å
179I96.2Very high95.1Very high20 Ų2052.6 Ų52.610%0.10329%0.293CS..Hα-helixtrans-61.6-48.5173.6-66.7171.3000109.6L160 I161 A165 I166 I171 E175 M176 D181 T182 I183L160-I179 WeakPolarHBondContact O-CG1 3.38Å; I161-I179 HydrophobicContact CB-CG2 4.49Å; I161-I179 HydrophobicContact CG2-CG2 4.25Å; A165-I179 HydrophobicContact CB-CD1 4Å; I166-I179 HydrophobicContact CD1-CG2 4.49Å; I166-I179 HydrophobicContact CG1-CG2 4Å; I171-I179 HydrophobicContact CD1-CD1 3.96Å; E175-I179 VanDerWaalsContact O-CG1 3.29Å; E175-I179 WeakPolarHBondContact O-CG1 3.46Å; E175-I179 PolarHBondContact O-N 3.47Å; M176-I179 PolarHBondContact O-N 3.3Å; I179-D181 VanDerWaalsContact C-N 3.35Å; I179-D181 PolarHBondContact O-N 2.77Å; I179-T182 WeakPolarHBondContact O-CB 3.28Å; I179-T182 PolarHBondContact O-N 3.32Å; I179-I183 HydrophobicContact CG2-CD1 4.2Å; I179-I183 WeakPolarHBondContact O-CG1 3.34Å; I179-I183 PolarHBondContact O-N 3.38Å; I179-I183 VanDerWaalsContact O-N 3.09Å
180M96.6Very high95.6Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-64.3-39.3179.6-62.5-51.2147.300112I166 M176 E177 T182 I183 V184 A207 M210 V211 K214I166-M180 HydrophobicContact CD1-CE 4.37Å; I166-M180 HydrophobicContact CG1-CE 4.17Å; I166-M180 HydrophobicContact CG2-CE 4.13Å; M176-M180 HydrophobicContact CG-CE 4.3Å; M176-M180 VanDerWaalsContact O-CG 3.29Å; M176-M180 WeakPolarHBondContact O-CG 3.4Å; M176-M180 PolarHBondContact O-N 3.23Å; M176-M180 HydrophobicContact SD-CE 3.32Å; M176-M180 WeakPolarHBondContact SD-CE 3.42Å; E177-M180 PolarHBondContact O-N 3.4Å; M180-T182 VanDerWaalsContact C-N 3.33Å; M180-T182 PolarHBondContact O-N 3.34Å; M180-I183 PolarHBondContact O-N 3.5Å; M180-I183 HydrophobicContact SD-CD1 4.38Å; M180-V184 WeakPolarHBondContact O-CB 3.45Å; M180-V184 WeakPolarHBondContact O-CG2 3.45Å; M180-V184 PolarHBondContact O-N 3.45Å; M180-A207 HydrophobicContact CE-CB 3.56Å; M180-A207 HydrophobicContact SD-CB 4.21Å; M180-M210 HydrophobicContact CG-CB 4.02Å; M180-M210 HydrophobicContact CG-CE 4.14Å; M180-M210 HydrophobicContact CG-SD 4.38Å; M180-M210 HydrophobicContact SD-CB 4.42Å; M180-V211 HydrophobicContact SD-CG2 3.56Å; M180-V211 VanDerWaalsContact SD-CG2 3.56Å; M180-K214 HydrophobicContact CB-CD 3.9Å
181D96.3Very high95.8Very high69 Ų6941.9 Ų41.937%0.36923%0.23SC..Hα-helixtrans-62.3-40.9175.8-74.1-20.7000111.6E177 A178 I179 I183 V184 D185 K214E177-D181 WeakPolarHBondContact O-CB 3.49Å; E177-D181 VanDerWaalsContact O-CG 3.26Å; E177-D181 PolarHBondContact O-N 2.87Å; A178-D181 PolarHBondContact O-N 2.9Å; I179-D181 VanDerWaalsContact C-N 3.35Å; I179-D181 PolarHBondContact O-N 2.77Å; D181-I183 PolarHBondContact O-N 2.96Å; D181-V184 PolarHBondContact O-N 2.84Å; D181-D185 WeakPolarHBondContact O-CB 3.35Å; D181-D185 PolarHBondContact O-N 3.44Å; D181-K214 IonicContact OD1-NZ 2.61Å; D181-K214 PolarHBondContact OD1-NZ 2.73Å; D181-K214 IonicContact OD2-NZ 2.66Å
182T96.3Very high95.8Very high68 Ų6841.1 Ų41.142%0.41723%0.226SC..Hα-helixtrans-60.9-43.6175.3-57.60000111.9I161 A178 I179 M180 S186I161-T182 HydrophobicContact CG2-CG2 3.98Å; A178-T182 PolarHBondContact O-N 2.84Å; A178-T182 PolarHBondContact O-OG1 2.95Å; I179-T182 WeakPolarHBondContact O-CB 3.28Å; I179-T182 PolarHBondContact O-N 3.32Å; M180-T182 VanDerWaalsContact C-N 3.33Å; M180-T182 PolarHBondContact O-N 3.34Å; T182-S186 PolarHBondContact O-N 3.4Å; T182-S186 PolarHBondContact O-OG 3.07Å
183I97.9Very high95.7Very high0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-63.6-47.4176.4-68.5172.7000110.5L153 I161 I179 M180 D181 D185 S186 L187 V211 F586 V588L153-I183 HydrophobicContact CD1-CB 4.03Å; L153-I183 HydrophobicContact CD1-CG1 4.01Å; L153-I183 HydrophobicContact CD1-CG2 3.84Å; I161-I183 HydrophobicContact CB-CD1 4.43Å; I161-I183 HydrophobicContact CB-CG1 4.26Å; I161-I183 HydrophobicContact CG2-CG1 4.19Å; I179-I183 HydrophobicContact CG2-CD1 4.2Å; I179-I183 WeakPolarHBondContact O-CG1 3.34Å; I179-I183 PolarHBondContact O-N 3.38Å; I179-I183 VanDerWaalsContact O-N 3.09Å; M180-I183 PolarHBondContact O-N 3.5Å; M180-I183 HydrophobicContact SD-CD1 4.38Å; D181-I183 PolarHBondContact O-N 2.96Å; I183-D185 PolarHBondContact O-N 3.08Å; I183-S186 PolarHBondContact O-N 2.97Å; I183-L187 HydrophobicContact CG2-CD1 3.86Å; I183-L187 HydrophobicContact CG2-CG 4.43Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 3.2Å; I183-V211 HydrophobicContact CB-CG2 4.42Å; I183-V211 HydrophobicContact CG2-CG1 3.94Å; I183-V211 HydrophobicContact CG2-CG2 3.83Å; I183-F586 HydrophobicContact CG2-CE1 4.01Å; I183-F586 HydrophobicContact CG2-CZ 4.3Å; I183-V588 HydrophobicContact CD1-CG1 4.26Å
184V98Very high95.6Very high3 Ų331.1 Ų31.12%0.01818%0.175CC..Hα-helixtrans-64.6-39.1-178169.40000111.7M180 D181 S186 L187 F188 V211 K214 L215 K218M180-V184 WeakPolarHBondContact O-CB 3.45Å; M180-V184 WeakPolarHBondContact O-CG2 3.45Å; M180-V184 PolarHBondContact O-N 3.45Å; D181-V184 PolarHBondContact O-N 2.84Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.3Å; V184-L187 PolarHBondContact O-N 2.8Å; V184-F188 VanDerWaalsContact O-CB 3.26Å; V184-F188 WeakPolarHBondContact O-CB 3.33Å; V184-F188 PolarHBondContact O-N 3.09Å; V184-V211 HydrophobicContact CG2-CB 4.49Å; V184-V211 HydrophobicContact CG2-CG1 4.1Å; V184-K214 HydrophobicContact CB-CB 4.46Å; V184-K214 HydrophobicContact CG1-CB 4.24Å; V184-K214 HydrophobicContact CG2-CB 3.64Å; V184-K214 HydrophobicContact CG2-CD 4.38Å; V184-L215 HydrophobicContact CG1-CB 4.27Å; V184-L215 HydrophobicContact CG1-CD1 4.34Å; V184-L215 HydrophobicContact CG2-CB 4.49Å; V184-K218 HydrophobicContact CG1-CB 4.47Å; V184-K218 HydrophobicContact CG1-CD 4Å
185D96.4Very high95.3Very high62 Ų6226.7 Ų26.733%0.33215%0.152SC..Hα-helixtrans-62.3-42.5177.2-77.91.1000112D181 I183 F188 C189 K218D181-D185 WeakPolarHBondContact O-CB 3.35Å; D181-D185 PolarHBondContact O-N 3.44Å; I183-D185 PolarHBondContact O-N 3.08Å; D185-F188 PolarHBondContact O-N 3.49Å; D185-C189 PolarHBondContact O-N 2.75Å; D185-C189 PolarHBondContact O-SG 2.58Å; D185-K218 IonicContact OD1-NZ 3.5Å; D185-K218 PolarHBondContact OD1-NZ 3.18Å
186S97.5Very high94.9Very high4 Ų423.7 Ų23.73%0.02814%0.141CC..Hα-helixtrans-68.9-44.9178-51.90000111.3N142 T182 I183 V184 F188 C189 F190N142-S186 PolarHBondContact ND2-OG 3.42Å; N142-S186 WeakPolarHBondContact O-CA 3.34Å; N142-S186 WeakPolarHBondContact O-CB 3.28Å; T182-S186 PolarHBondContact O-N 3.4Å; T182-S186 PolarHBondContact O-OG 3.07Å; I183-S186 PolarHBondContact O-N 2.97Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.3Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 2.74Å; S186-C189 WeakPolarHBondContact O-CB 3.45Å; S186-C189 PolarHBondContact O-N 3.2Å; S186-F190 PolarHBondContact O-N 2.94Å
187L98.3Very high94.8Very high0 Ų022.4 Ų22.40%014%0.135CC..Hα-helixtrans-62.6-37.4174-73.1174.1000112.4F151 L153 I183 V184 F190 F191 V211 L215 F248 F586F151-L187 HydrophobicContact CE2-CD2 4Å; F151-L187 HydrophobicContact CZ-CD2 3.96Å; L153-L187 HydrophobicContact CD2-CD2 4.24Å; L153-L187 HydrophobicContact CD2-CG 4.4Å; I183-L187 HydrophobicContact CG2-CD1 3.86Å; I183-L187 HydrophobicContact CG2-CG 4.43Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 3.2Å; V184-L187 PolarHBondContact O-N 2.8Å; L187-F190 WeakPolarHBondContact O-CB 3.36Å; L187-F190 PolarHBondContact O-N 3.1Å; L187-F191 WeakPolarHBondContact O-CD2 3.44Å; L187-F191 PolarHBondContact O-N 3.28Å; L187-V211 HydrophobicContact CD1-CG1 3.6Å; L187-L215 HydrophobicContact CB-CD1 4.27Å; L187-L215 HydrophobicContact CB-CD2 4.26Å; L187-L215 HydrophobicContact CD1-CD2 4.34Å; L187-F248 HydrophobicContact CD1-CE1 4.38Å; L187-F248 HydrophobicContact CD1-CZ 3.99Å; L187-F248 HydrophobicContact CD2-CE2 4.48Å; L187-F248 HydrophobicContact CD2-CZ 3.94Å; L187-F586 HydrophobicContact CD1-CD1 4.24Å; L187-F586 HydrophobicContact CD1-CE1 4.18Å; L187-F586 HydrophobicContact CD2-CD1 4.39Å; L187-F586 HydrophobicContact CD2-CD2 3.73Å; L187-F586 HydrophobicContact CD2-CE1 4.47Å; L187-F586 HydrophobicContact CD2-CE2 3.83Å; L187-F586 HydrophobicContact CD2-CG 4.03Å; L187-F586 HydrophobicContact CD2-CZ 4.21Å
188F96.8Very high94.7Very high11 Ų1118.5 Ų18.55%0.04812%0.117CC..Hα-helixtrans-62.5-46.7174.3-178.7-95.1000111Y140 V184 D185 S186 F190 F191 V192 L215 K218 L219 N222 L230 F231Y140-F188 HydrophobicContact CD1-CD1 4.42Å; Y140-F188 HydrophobicContact CD1-CE1 4.25Å; Y140-F188 HydrophobicContact CE1-CE1 4.07Å; V184-F188 VanDerWaalsContact O-CB 3.26Å; V184-F188 WeakPolarHBondContact O-CB 3.33Å; V184-F188 PolarHBondContact O-N 3.09Å; D185-F188 PolarHBondContact O-N 3.49Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 2.74Å; F188-F190 VanDerWaalsContact C-N 3.3Å; F188-F190 PolarHBondContact O-N 3.32Å; F188-F191 PolarHBondContact O-N 3.44Å; F188-V192 HydrophobicContact CD1-CG2 4.01Å; F188-V192 HydrophobicContact CE1-CG2 3.64Å; F188-V192 HydrophobicContact CE2-CG2 4.49Å; F188-V192 HydrophobicContact CZ-CG2 3.92Å; F188-V192 WeakPolarHBondContact O-CG2 3.46Å; F188-V192 PolarHBondContact O-N 2.67Å; F188-L215 HydrophobicContact CB-CD1 4.36Å; F188-K218 HydrophobicContact CB-CD 4.05Å; F188-K218 HydrophobicContact CD2-CB 4.48Å; F188-K218 HydrophobicContact CD2-CD 4Å; F188-K218 HydrophobicContact CD2-CG 3.72Å; F188-K218 HydrophobicContact CE2-CG 4.01Å; F188-K218 HydrophobicContact CG-CD 3.96Å; F188-K218 HydrophobicContact CG-CG 4.19Å; F188-L219 HydrophobicContact CD2-CD2 3.95Å; F188-L219 HydrophobicContact CE2-CD2 4.09Å; F188-N222 HydrophobicContact CE2-CB 4.06Å; F188-N222 HydrophobicContact CZ-CB 4.01Å; F188-L230 HydrophobicContact CE1-CD1 3.86Å; F188-L230 HydrophobicContact CZ-CD1 3.97Å; F188-F231 HydrophobicContact CE2-CE2 4.08Å; F188-F231 HydrophobicContact CE2-CZ 4.41Å; F188-F231 HydrophobicContact CZ-CE2 4.38Å
189C96.3Very high94.6Very high3 Ų316.9 Ų16.92%0.0210%0.1CC..Hα-helixtrans-56.7-43.6173.9-69.40000112.1Y140 N142 F143 D185 S186 V192 T193Y140-C189 CarbonylContact O-C 3.43Å; Y140-C189 VanDerWaalsContact O-CB 3.32Å; Y140-C189 WeakPolarHBondContact O-CB 3.49Å; Y140-C189 VanDerWaalsContact O-O 3.12Å; N142-C189 HydrophobicContact CB-CB 4.07Å; F143-C189 HydrophobicContact CD1-CB 4.36Å; D185-C189 PolarHBondContact O-N 2.75Å; D185-C189 PolarHBondContact O-SG 2.58Å; S186-C189 WeakPolarHBondContact O-CB 3.45Å; S186-C189 PolarHBondContact O-N 3.2Å; C189-V192 PolarHBondContact O-N 3.13Å; C189-T193 PolarHBondContact O-N 2.63Å; C189-T193 PolarHBondContact O-OG1 3.04Å; C189-T193 VanDerWaalsContact O-OG1 3.14Å
190F96.9Very high94.6Very high0 Ų015.9 Ų15.90%010%0.095CC..Hα-helixtrans-57.2-49.5174.2168.7-89.7000112.2V5 F143 F151 S186 L187 F188 V192 T193 L194 I584 L612V5-F190 HydrophobicContact CB-CE2 4.43Å; V5-F190 HydrophobicContact CG2-CD2 4.12Å; V5-F190 HydrophobicContact CG2-CE2 3.64Å; V5-F190 HydrophobicContact CG2-CZ 4.43Å; F143-F190 HydrophobicContact CD1-CB 3.98Å; F143-F190 HydrophobicContact CD2-CD2 4.07Å; F143-F190 HydrophobicContact CE1-CB 4.19Å; F143-F190 HydrophobicContact CE2-CD2 4.01Å; F143-F190 HydrophobicContact CG-CB 4.22Å; F143-F190 HydrophobicContact CG-CD2 4.47Å; F143-F190 HydrophobicContact CZ-CD2 4.38Å; F151-F190 HydrophobicContact CD1-CD2 4.02Å; F151-F190 AromaticContact CD1-CE2 3.54Å; F151-F190 HydrophobicContact CD1-CE2 3.54Å; F151-F190 HydrophobicContact CD1-CZ 4.14Å; F151-F190 AromaticContact CD2-CD2 3.82Å; F151-F190 HydrophobicContact CD2-CD2 3.82Å; F151-F190 HydrophobicContact CD2-CE2 4.21Å; F151-F190 HydrophobicContact CD2-CG 4.42Å; F151-F190 HydrophobicContact CE1-CD2 4.05Å; F151-F190 HydrophobicContact CE1-CE1 4.33Å; F151-F190 AromaticContact CE1-CE2 3.6Å; F151-F190 HydrophobicContact CE1-CE2 3.6Å; F151-F190 AromaticContact CE1-CZ 3.79Å; F151-F190 HydrophobicContact CE1-CZ 3.79Å; F151-F190 HydrophobicContact CE2-CB 4.42Å; F151-F190 AromaticContact CE2-CD2 3.86Å; F151-F190 HydrophobicContact CE2-CD2 3.86Å; F151-F190 HydrophobicContact CE2-CE2 4.27Å; F151-F190 HydrophobicContact CE2-CG 4.06Å; F151-F190 AromaticContact CG-CD2 3.88Å; F151-F190 HydrophobicContact CG-CD2 3.88Å; F151-F190 AromaticContact CG-CE2 3.84Å; F151-F190 HydrophobicContact CG-CE2 3.84Å; F151-F190 HydrophobicContact CZ-CD1 4.28Å; F151-F190 AromaticContact CZ-CD2 3.96Å; F151-F190 HydrophobicContact CZ-CD2 3.96Å; F151-F190 HydrophobicContact CZ-CE1 4.32Å; F151-F190 AromaticContact CZ-CE2 3.96Å; F151-F190 HydrophobicContact CZ-CE2 3.96Å; F151-F190 HydrophobicContact CZ-CG 4.12Å; F151-F190 HydrophobicContact CZ-CZ 4.17Å; S186-F190 PolarHBondContact O-N 2.94Å; L187-F190 WeakPolarHBondContact O-CB 3.36Å; L187-F190 PolarHBondContact O-N 3.1Å; F188-F190 VanDerWaalsContact C-N 3.3Å; F188-F190 PolarHBondContact O-N 3.32Å; F190-V192 PolarHBondContact O-N 2.98Å; F190-T193 PolarHBondContact O-N 3.44Å; F190-L194 HydrophobicContact CE1-CD2 4.06Å; F190-L194 HydrophobicContact CZ-CD2 4.28Å; F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.66Å; F190-I584 HydrophobicContact CE1-CD1 4.02Å; F190-I584 HydrophobicContact CE1-CG2 4.28Å; F190-I584 HydrophobicContact CZ-CD1 4.37Å; F190-I584 HydrophobicContact CZ-CG2 4.36Å; F190-L612 HydrophobicContact CE2-CD1 4.28Å; F190-L612 HydrophobicContact CE2-CD2 3.91Å; F190-L612 HydrophobicContact CZ-CD1 3.99Å; F190-L612 HydrophobicContact CZ-CD2 3.61Å; F190-L612 HydrophobicContact CZ-CG 4.5Å
191F94.9Very high94.6Very high0 Ų017.1 Ų17.10%010%0.1CC..Hα-helixtrans-68.5-34.4-180-79.1-65.2000113.2L187 F188 L194 G195 A196 P198 L215 F231 F248 I584L187-F191 WeakPolarHBondContact O-CD2 3.44Å; L187-F191 PolarHBondContact O-N 3.28Å; F188-F191 PolarHBondContact O-N 3.44Å; F191-L194 HydrophobicContact CD1-CD2 4.21Å; F191-L194 HydrophobicContact CE1-CD2 4.34Å; F191-L194 PolarHBondContact O-N 2.91Å; F191-G195 PolarHBondContact O-N 3.44Å; F191-A196 VanDerWaalsContact CD1-O 3.31Å; F191-A196 WeakPolarHBondContact CD1-O 3.29Å; F191-A196 PolarHBondContact O-N 2.63Å; F191-P198 HydrophobicContact CD1-CB 4.46Å; F191-P198 HydrophobicContact CD1-CG 3.98Å; F191-P198 HydrophobicContact CD2-CG 4.38Å; F191-P198 HydrophobicContact CE1-CB 3.69Å; F191-P198 HydrophobicContact CE1-CG 3.5Å; F191-P198 HydrophobicContact CE2-CG 3.98Å; F191-P198 HydrophobicContact CG-CG 4.4Å; F191-P198 HydrophobicContact CZ-CB 3.92Å; F191-P198 HydrophobicContact CZ-CG 3.53Å; F191-L215 HydrophobicContact CD2-CD2 4.3Å; F191-L215 HydrophobicContact CE2-CD2 3.97Å; F191-F231 HydrophobicContact CB-CE1 4.2Å; F191-F231 HydrophobicContact CB-CZ 4.29Å; F191-F231 WeakPolarHBondContact O-CE1 3.43Å; F191-F248 HydrophobicContact CE2-CD1 4.17Å; F191-F248 HydrophobicContact CE2-CD2 4.34Å; F191-F248 HydrophobicContact CE2-CE1 4.18Å; F191-F248 HydrophobicContact CE2-CE2 4.3Å; F191-F248 HydrophobicContact CE2-CG 4.26Å; F191-F248 HydrophobicContact CE2-CZ 4.24Å; F191-F248 HydrophobicContact CZ-CB 4.11Å; F191-F248 HydrophobicContact CZ-CD1 4.12Å; F191-F248 AromaticContact CZ-CD2 3.77Å; F191-F248 HydrophobicContact CZ-CD2 3.77Å; F191-F248 HydrophobicContact CZ-CE1 4.47Å; F191-F248 HydrophobicContact CZ-CE2 4.11Å; F191-F248 AromaticContact CZ-CG 3.76Å; F191-F248 HydrophobicContact CZ-CG 3.76Å; F191-F248 HydrophobicContact CZ-CZ 4.47Å; F191-I584 HydrophobicContact CE1-CD1 3.57Å; F191-I584 HydrophobicContact CZ-CD1 4.06Å
192V92.1Very high94.5Very high18 Ų1813.9 Ų13.911%0.1098%0.082CC..Hα-helixtrans-60.5-48.5171.4169.90000110.2Y140 F188 C189 F190 L194 G195 L230 F231Y140-V192 HydrophobicContact CD2-CG1 4.14Å; Y140-V192 HydrophobicContact CG-CB 4.49Å; Y140-V192 HydrophobicContact CG-CG1 3.98Å; F188-V192 HydrophobicContact CD1-CG2 4.01Å; F188-V192 HydrophobicContact CE1-CG2 3.64Å; F188-V192 HydrophobicContact CE2-CG2 4.49Å; F188-V192 HydrophobicContact CZ-CG2 3.92Å; F188-V192 WeakPolarHBondContact O-CG2 3.46Å; F188-V192 PolarHBondContact O-N 2.67Å; C189-V192 PolarHBondContact O-N 3.13Å; F190-V192 PolarHBondContact O-N 2.98Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 2.91Å; V192-G195 PolarHBondContact O-N 3.48Å; V192-G195 VanDerWaalsContact O-N 3.15Å; V192-L230 HydrophobicContact CG1-CB 4.17Å; V192-L230 HydrophobicContact CG1-CD1 4.29Å; V192-L230 HydrophobicContact CG2-CB 4.05Å; V192-L230 HydrophobicContact CG2-CD1 3.79Å; V192-F231 HydrophobicContact CG2-CE1 4.46Å; V192-F231 HydrophobicContact CG2-CE2 4.27Å; V192-F231 HydrophobicContact CG2-CZ 3.86Å
193T91.8Very high94.3Very high16 Ų1611.4 Ų11.410%0.0987%0.067CC..Hα-helixtrans-65.2-37.4177.5-61.50000112.2K8 Q9 Y140 L141 F143 C189 F190 G195K8-T193 HydrophobicContact CB-CG2 4.26Å; Q9-T193 HydrophobicContact CB-CG2 4.41Å; Y140-T193 PolarHBondContact O-OG1 2.97Å; L141-T193 HydrophobicContact CD2-CG2 4.23Å; F143-T193 HydrophobicContact CE1-CG2 4.42Å; F143-T193 HydrophobicContact CZ-CG2 3.82Å; C189-T193 PolarHBondContact O-N 2.63Å; C189-T193 PolarHBondContact O-OG1 3.04Å; C189-T193 VanDerWaalsContact O-OG1 3.14Å; F190-T193 PolarHBondContact O-N 3.44Å; T193-G195 PolarHBondContact O-N 2.79Å
194L90.8Very high93.9Very high21 Ų2118.1 Ų18.111%0.119%0.093CC..Hα-helixtrans-66.9-28.6176.1-172.164.5000111.9K8 F190 F191 V192 A196 I584K8-L194 HydrophobicContact CD-CD1 4.35Å; K8-L194 PolarHBondContact NZ-O 3.22Å; F190-L194 HydrophobicContact CE1-CD2 4.06Å; F190-L194 HydrophobicContact CZ-CD2 4.28Å; F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.66Å; F191-L194 HydrophobicContact CD1-CD2 4.21Å; F191-L194 HydrophobicContact CE1-CD2 4.34Å; F191-L194 PolarHBondContact O-N 2.91Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-A196 HydrophobicContact CD2-CB 4.03Å; L194-A196 HydrophobicContact CG-CB 4.05Å; L194-I584 HydrophobicContact CD2-CD1 3.69Å
195G87.4Confident93.4Very high17 Ų1721.5 Ų21.518%0.17513%0.128CC..THydrogen-bonded Turntrans74.424.9-176.400000113.4F191 V192 T193 M236F191-G195 PolarHBondContact O-N 3.44Å; V192-G195 PolarHBondContact O-N 3.48Å; V192-G195 VanDerWaalsContact O-N 3.15Å; T193-G195 PolarHBondContact O-N 2.79Å; G195-M236 WeakPolarHBondContact CA-SD 3.37Å
196A87.9Confident93.1Very high17 Ų1720.7 Ų20.714%0.1412%0.124CC..  trans-135.2138.1-173.100000112F191 L194 P246F191-A196 VanDerWaalsContact CD1-O 3.31Å; F191-A196 WeakPolarHBondContact CD1-O 3.29Å; F191-A196 PolarHBondContact O-N 2.63Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-A196 HydrophobicContact CD2-CB 4.03Å; L194-A196 HydrophobicContact CG-CB 4.05Å; A196-P246 HydrophobicContact CB-CG 4.07Å
197V91.1Very high92.8Very high7 Ų720.9 Ų20.94%0.04213%0.126CC..  trans-99.8113.7171.9-178.80000108.7L223 F231 R245 P563 K564V197-L223 HydrophobicContact CG1-CD1 4.04Å; V197-L223 HydrophobicContact CG2-CD1 4.17Å; V197-L223 HydrophobicContact CG2-CD2 4.14Å; V197-F231 HydrophobicContact CG2-CB 4.08Å; V197-F231 HydrophobicContact CG2-CD1 3.6Å; V197-F231 HydrophobicContact CG2-CD2 4.18Å; V197-F231 HydrophobicContact CG2-CE1 4.03Å; V197-F231 HydrophobicContact CG2-CG 3.68Å; V197-R245 PolarHBondContact O-NE 2.92Å; V197-P563 HydrophobicContact CG1-CB 3.76Å; V197-P563 HydrophobicContact CG1-CG 4.16Å; V197-K564 HydrophobicContact CB-CG 4.27Å; V197-K564 HydrophobicContact CG1-CG 3.95Å
198P93.8Very high92.7Very high0 Ų020.9 Ų20.90%013%0.126CC..PPolyproline II helixtrans-76.5170.2-173.434.5-39.5000112.6F191 I200 L219 R245 P246 F248 P563F191-P198 HydrophobicContact CD1-CB 4.46Å; F191-P198 HydrophobicContact CD1-CG 3.98Å; F191-P198 HydrophobicContact CD2-CG 4.38Å; F191-P198 HydrophobicContact CE1-CB 3.69Å; F191-P198 HydrophobicContact CE1-CG 3.5Å; F191-P198 HydrophobicContact CE2-CG 3.98Å; F191-P198 HydrophobicContact CG-CG 4.4Å; F191-P198 HydrophobicContact CZ-CB 3.92Å; F191-P198 HydrophobicContact CZ-CG 3.53Å; P198-I200 HydrophobicContact CG-CG1 4.13Å; P198-L219 HydrophobicContact CG-CD1 4.24Å; P198-R245 PolarHBondContact O-NH2 2.84Å; P198-P246 CarbonylContact C-O 3.56Å; P198-P246 VanDerWaalsContact CA-O 3.27Å; P198-P246 WeakPolarHBondContact CA-O 3.36Å; P198-P246 HydrophobicContact CB-CG 4.45Å; P198-F248 HydrophobicContact CB-CB 3.56Å; P198-F248 HydrophobicContact CG-CB 4.07Å; P198-P563 WeakPolarHBondContact O-CD 3.31Å
199I93.4Very high92.6Very high18 Ų1822.4 Ų22.49%0.09213%0.133CC..EExtended strand (participates in β ladder)trans-97.5126155.9-73166.2000107.1P246 L247 F248 Y560 F580I199-P246 PolarHBondContact N-O 3.34Å; I199-L247 HydrophobicContact CG2-CD1 4.47Å; I199-F248 PolarHBondContact O-N 3.22Å; I199-Y560 HydrophobicContact CG2-CD2 4Å; I199-Y560 HydrophobicContact CG2-CE2 3.35Å; I199-F580 HydrophobicContact CB-CZ 4.48Å; I199-F580 HydrophobicContact CD1-CE1 3.86Å; I199-F580 HydrophobicContact CD1-CZ 4.08Å; I199-F580 HydrophobicContact CG2-CZ 4.3Å
200I96.2Very high92.6Very high0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-99.3132.4-171.4-48.5175.9000110.3P198 A212 L215 D216 L219 F248 L250 F561 P563P198-I200 HydrophobicContact CG-CG1 4.13Å; I200-A212 HydrophobicContact CG2-CB 3.92Å; I200-L215 HydrophobicContact CD1-CD2 4.14Å; I200-L215 HydrophobicContact CD1-CG 4.23Å; I200-D216 HydrophobicContact CD1-CB 4.16Å; I200-L219 HydrophobicContact CD1-CD1 4.37Å; I200-F248 CarbonylContact C-O 3.55Å; I200-F248 WeakPolarHBondContact CA-O 3.38Å; I200-F248 HydrophobicContact CB-CD1 4.45Å; I200-F248 HydrophobicContact CG1-CB 4.5Å; I200-F248 HydrophobicContact CG1-CD1 4.1Å; I200-F248 HydrophobicContact CG2-CD1 3.92Å; I200-L250 HydrophobicContact CG2-CD1 3.88Å; I200-F561 HydrophobicContact CB-CB 4.1Å; I200-F561 HydrophobicContact CB-CD2 4.29Å; I200-F561 HydrophobicContact CG2-CD2 4.32Å; I200-F561 PolarHBondContact N-O 3.46Å; I200-F561 PolarHBondContact O-N 3.03Å; I200-P563 HydrophobicContact CD1-CG 4.22Å
201R95.6Very high92.7Very high26 Ų2625.1 Ų25.110%0.09815%0.146CC..EExtended strand (participates in β ladder)trans-124.4132.7170.6-63.8-64.3-64.9-133.9-1.2109.9L247 F248 V249 L250 L546 Y558 R559R201-L247 HydrophobicContact CB-CD1 4.32Å; R201-L247 HydrophobicContact CG-CD1 3.53Å; R201-F248 PolarHBondContact N-O 3.45Å; R201-V249 WeakPolarHBondContact O-CA 3.49Å; R201-L250 PolarHBondContact O-N 3.03Å; R201-L546 HydrophobicContact CB-CD1 4.13Å; R201-Y558 HydrophobicContact CB-CD1 4.29Å; R201-Y558 PolarHBondContact NH2-O 3.42Å; R201-Y558 VanDerWaalsContact NH2-O 3.13Å; R201-R559 VanDerWaalsContact CA-O 3.27Å; R201-R559 WeakPolarHBondContact CA-O 3.26Å; R201-R559 WeakPolarHBondContact CD-O 3.32Å; R201-R559 PolarHBondContact NE-O 2.94Å
202C95.2Very high92.8Very high0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-146.8154.8177.172.30000111.7A212 L250 Y558 R559C202-A212 HydrophobicContact CB-CB 3.91Å; C202-A212 VanDerWaalsContact SG-CB 3.52Å; C202-L250 HydrophobicContact CB-CB 3.82Å; C202-L250 HydrophobicContact CB-CD1 4.18Å; C202-Y558 VanDerWaalsContact C-CD1 3.44Å; C202-Y558 CarbonylContact O-C 3.57Å; C202-Y558 WeakPolarHBondContact O-CA 3.42Å; C202-Y558 WeakPolarHBondContact O-CB 3.22Å; C202-R559 PolarHBondContact N-O 2.94Å; C202-R559 PolarHBondContact O-N 3.26Å
203P92.3Very high93Very high16 Ų1627.2 Ų27.210%0.10416%0.159CC..  trans-63.9169.3165.829.4-36.5000111.6N206 A208 L250 Y558P203-N206 WeakPolarHBondContact CG-ND2 3.24Å; P203-A208 HydrophobicContact CG-CB 4.04Å; P203-L250 WeakPolarHBondContact CD-O 3.48Å; P203-Y558 HydrophobicContact CB-CE2 4.09Å
204R90.1Very high93.3Very high142 Ų14228.3 Ų28.354%0.53616%0.162SC..SBendtrans-100.1154.3177.7-63.3-178.4-175.4-155.50.2111.9N206 E209 D557 R559R204-N206 PolarHBondContact O-N 3.49Å; R204-E209 WeakPolarHBondContact CA-OE2 3.44Å; R204-D557 PolarHBondContact NE-O 2.94Å; R204-R559 HydrophobicContact CG-CG 3.78Å
205G86.4Confident93.6Very high74 Ų7427.3 Ų27.376%0.76316%0.157SC*.SBendtrans74.220.5167.100000115.2E209G205-E209 PolarHBondContact N-OE2 3.03Å
206N89.5Confident94Very high44 Ų4427.2 Ų27.224%0.23515%0.153CC..SBendtrans-141.6179.9-176.664.320.8000112.8P203 R204 A208 E209 M210 D252P203-N206 WeakPolarHBondContact CG-ND2 3.24Å; R204-N206 PolarHBondContact O-N 3.49Å; N206-A208 PolarHBondContact O-N 2.72Å; N206-A208 WeakPolarHBondContact OD1-CB 3.43Å; N206-A208 PolarHBondContact OD1-N 3.37Å; N206-E209 WeakPolarHBondContact O-CB 3.3Å; N206-E209 PolarHBondContact O-N 3Å; N206-E209 PolarHBondContact OD1-N 3.2Å; N206-M210 PolarHBondContact O-N 3.46Å; N206-D252 HydrophobicContact CB-CB 4.38Å; N206-D252 WeakPolarHBondContact ND2-CB 3.25Å
207A92.8Very high94.4Very high8 Ų832.5 Ų32.57%0.06617%0.172CC..Hα-helixtrans-59.4-34.8-177.700000112.3I166 M180 E209 M210 V211 D252 V588I166-A207 HydrophobicContact CG2-CB 3.86Å; M180-A207 HydrophobicContact CE-CB 3.56Å; M180-A207 HydrophobicContact SD-CB 4.21Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.48Å; A207-M210 PolarHBondContact O-N 3.25Å; A207-M210 VanDerWaalsContact O-N 3.16Å; A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 3.49Å; A207-D252 PolarHBondContact N-OD2 3Å; A207-V588 HydrophobicContact CB-CG1 3.8Å
208A95.2Very high94.5Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-59.8-35175.200000112.9P203 N206 A212 L250 D252 V588P203-A208 HydrophobicContact CG-CB 4.04Å; N206-A208 PolarHBondContact O-N 2.72Å; N206-A208 WeakPolarHBondContact OD1-CB 3.43Å; N206-A208 PolarHBondContact OD1-N 3.37Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.37Å; A208-L250 HydrophobicContact CB-CB 4.01Å; A208-D252 HydrophobicContact CB-CB 4.31Å; A208-V588 HydrophobicContact CB-CG2 4.27Å
209E95.6Very high94.5Very high43 Ų4335.1 Ų35.120%0.20118%0.183CC..Hα-helixtrans-66.5-43.2173.9-175.9173.6-167.400112.3R204 G205 N206 A207 V211 A212 V213 R559R204-E209 WeakPolarHBondContact CA-OE2 3.44Å; G205-E209 PolarHBondContact N-OE2 3.03Å; N206-E209 WeakPolarHBondContact O-CB 3.3Å; N206-E209 PolarHBondContact O-N 3Å; N206-E209 PolarHBondContact OD1-N 3.2Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.48Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 2.99Å; E209-A212 WeakPolarHBondContact O-CB 3.33Å; E209-A212 PolarHBondContact O-N 3.19Å; E209-V213 HydrophobicContact CG-CG2 4.36Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.03Å; E209-R559 WeakPolarHBondContact OE1-CD 3.35Å; E209-R559 IonicContact OE1-CZ 3.29Å; E209-R559 IonicContact OE1-NE 2.7Å; E209-R559 IonicContact OE1-NH1 3Å; E209-R559 PolarHBondContact OE1-NH1 3.38Å
210M96Very high94.4Very high60 Ų6036.2 Ų36.230%0.29619%0.186SC..Hα-helixtrans-60.6-45.1178.2-63.8-179.770.600111.2M176 E177 M180 N206 A207 V213 K214M176-M210 HydrophobicContact CG-CE 3.83Å; M176-M210 HydrophobicContact CG-SD 4.02Å; E177-M210 WeakPolarHBondContact OE1-CE 3.26Å; M180-M210 HydrophobicContact CG-CB 4.02Å; M180-M210 HydrophobicContact CG-CE 4.14Å; M180-M210 HydrophobicContact CG-SD 4.38Å; M180-M210 HydrophobicContact SD-CB 4.42Å; N206-M210 PolarHBondContact O-N 3.46Å; A207-M210 PolarHBondContact O-N 3.25Å; A207-M210 VanDerWaalsContact O-N 3.16Å; M210-V213 PolarHBondContact O-N 2.87Å; M210-K214 WeakPolarHBondContact O-CB 3.44Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 3.4Å; M210-K214 VanDerWaalsContact O-N 3.07Å
211V97.8Very high94.1Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-60.1-46.1174.3175.10000110.8M180 I183 V184 L187 A207 E209 V213 K214 L215 L250 V588M180-V211 HydrophobicContact SD-CG2 3.56Å; M180-V211 VanDerWaalsContact SD-CG2 3.56Å; I183-V211 HydrophobicContact CB-CG2 4.42Å; I183-V211 HydrophobicContact CG2-CG1 3.94Å; I183-V211 HydrophobicContact CG2-CG2 3.83Å; V184-V211 HydrophobicContact CG2-CB 4.49Å; V184-V211 HydrophobicContact CG2-CG1 4.1Å; L187-V211 HydrophobicContact CD1-CG1 3.6Å; A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 3.49Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 2.99Å; V211-V213 PolarHBondContact O-N 3.35Å; V211-K214 PolarHBondContact O-N 3.24Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 PolarHBondContact O-N 2.79Å; V211-L250 HydrophobicContact CG1-CD1 4.28Å; V211-L250 HydrophobicContact CG1-CD2 4.08Å; V211-V588 HydrophobicContact CG2-CG2 4.16Å
212A97.8Very high93.8Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-59.8-47.3-179.300000112.3I200 C202 A208 E209 D216 L250 F561I200-A212 HydrophobicContact CG2-CB 3.92Å; C202-A212 HydrophobicContact CB-CB 3.91Å; C202-A212 VanDerWaalsContact SG-CB 3.52Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.37Å; E209-A212 WeakPolarHBondContact O-CB 3.33Å; E209-A212 PolarHBondContact O-N 3.19Å; A212-D216 VanDerWaalsContact O-CB 3.25Å; A212-D216 WeakPolarHBondContact O-CB 3.5Å; A212-D216 PolarHBondContact O-N 2.92Å; A212-L250 HydrophobicContact CB-CD1 3.53Å; A212-F561 HydrophobicContact CB-CD2 4.22Å; A212-F561 HydrophobicContact CB-CE2 3.8Å; A212-F561 HydrophobicContact CB-CZ 4.37Å
213V96.9Very high93.4Very high62 Ų6242.8 Ų42.838%0.37622%0.22SC..Hα-helixtrans-65-47.4-178.81720000111E209 M210 V211 K217 F561E209-V213 HydrophobicContact CG-CG2 4.36Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.03Å; M210-V213 PolarHBondContact O-N 2.87Å; V211-V213 PolarHBondContact O-N 3.35Å; V213-K217 WeakPolarHBondContact O-CB 3.28Å; V213-K217 PolarHBondContact O-N 2.95Å; V213-F561 HydrophobicContact CG2-CE1 3.87Å; V213-F561 HydrophobicContact CG2-CZ 3.72Å
214K97.6Very high93Very high39 Ų3950 Ų5017%0.1725%0.245CC..Hα-helixtrans-64.9-42.9178.9-76.6171.3172.2-85.90111.9E177 M180 D181 V184 M210 V211 K217 K218E177-K214 WeakPolarHBondContact OE2-CE 3.45Å; E177-K214 IonicContact OE2-NZ 3.26Å; E177-K214 PolarHBondContact OE2-NZ 2.99Å; M180-K214 HydrophobicContact CB-CD 3.9Å; D181-K214 IonicContact OD1-NZ 2.61Å; D181-K214 PolarHBondContact OD1-NZ 2.73Å; D181-K214 IonicContact OD2-NZ 2.66Å; V184-K214 HydrophobicContact CB-CB 4.46Å; V184-K214 HydrophobicContact CG1-CB 4.24Å; V184-K214 HydrophobicContact CG2-CB 3.64Å; V184-K214 HydrophobicContact CG2-CD 4.38Å; M210-K214 WeakPolarHBondContact O-CB 3.44Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 3.4Å; M210-K214 VanDerWaalsContact O-N 3.07Å; V211-K214 PolarHBondContact O-N 3.24Å; K214-K217 PolarHBondContact O-N 2.93Å; K214-K218 WeakPolarHBondContact O-CB 3.45Å; K214-K218 PolarHBondContact O-N 3.31Å
215L97.8Very high92.5Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-66-44.4177.8-178.363.1000111.9V184 L187 F188 F191 I200 V211 K217 K218 L219 F248V184-L215 HydrophobicContact CG1-CB 4.27Å; V184-L215 HydrophobicContact CG1-CD1 4.34Å; V184-L215 HydrophobicContact CG2-CB 4.49Å; L187-L215 HydrophobicContact CB-CD1 4.27Å; L187-L215 HydrophobicContact CB-CD2 4.26Å; L187-L215 HydrophobicContact CD1-CD2 4.34Å; F188-L215 HydrophobicContact CB-CD1 4.36Å; F191-L215 HydrophobicContact CD2-CD2 4.3Å; F191-L215 HydrophobicContact CE2-CD2 3.97Å; I200-L215 HydrophobicContact CD1-CD2 4.14Å; I200-L215 HydrophobicContact CD1-CG 4.23Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 PolarHBondContact O-N 2.79Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 3.29Å; L215-K218 PolarHBondContact O-N 3.45Å; L215-L219 HydrophobicContact CD1-CD1 4.16Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.93Å; L215-L219 HydrophobicContact CG-CG 4.35Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.9Å; L215-F248 HydrophobicContact CD2-CD1 4.05Å; L215-F248 HydrophobicContact CD2-CE1 3.57Å; L215-F248 HydrophobicContact CD2-CZ 4.44Å
216D95.9Very high91.6Very high16 Ų1646.9 Ų46.99%0.08623%0.233CC..Hα-helixtrans-57-46.2174.617670.4000110.9I200 A212 L219 R220 F561 P563I200-D216 HydrophobicContact CD1-CB 4.16Å; A212-D216 VanDerWaalsContact O-CB 3.25Å; A212-D216 WeakPolarHBondContact O-CB 3.5Å; A212-D216 PolarHBondContact O-N 2.92Å; D216-L219 PolarHBondContact O-N 3.49Å; D216-R220 WeakPolarHBondContact O-CB 2.91Å; D216-R220 WeakPolarHBondContact O-CG 3.43Å; D216-R220 PolarHBondContact O-N 3.21Å; D216-R220 IonicContact OD1-CZ 3.75Å; D216-R220 VanDerWaalsContact OD1-CZ 3.29Å; D216-R220 IonicContact OD1-NE 2.87Å; D216-R220 PolarHBondContact OD1-NE 2.9Å; D216-R220 IonicContact OD1-NH2 3.9Å; D216-R220 PolarHBondContact OD1-NH2 2.87Å; D216-R220 IonicContact OD2-CZ 2.74Å; D216-R220 IonicContact OD2-NE 3.23Å; D216-R220 PolarHBondContact OD2-NE 2.87Å; D216-R220 IonicContact OD2-NH2 2.67Å; D216-R220 PolarHBondContact OD2-NH2 2.83Å; D216-F561 HydrophobicContact CB-CB 4.09Å; D216-F561 HydrophobicContact CB-CD1 4.14Å; D216-F561 HydrophobicContact CB-CG 4.3Å; D216-P563 WeakPolarHBondContact OD1-CG 3.37Å
217K95Very high90.5Very high127 Ų12756.1 Ų56.155%0.55226%0.264SS*.Hα-helixtrans-58.3-51.8174.9-178.4-177.8173.3-173.20111.7V213 K214 L215 L219 R220 E221V213-K217 WeakPolarHBondContact O-CB 3.28Å; V213-K217 PolarHBondContact O-N 2.95Å; K214-K217 PolarHBondContact O-N 2.93Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 3.29Å; K217-L219 PolarHBondContact O-N 2.89Å; K217-R220 WeakPolarHBondContact O-CB 3.41Å; K217-R220 PolarHBondContact O-N 3.49Å; K217-E221 WeakPolarHBondContact CE-OE1 3.25Å; K217-E221 WeakPolarHBondContact CG-OE1 3.28Å; K217-E221 WeakPolarHBondContact O-CG 3.36Å; K217-E221 PolarHBondContact O-N 2.82Å
218K94.4Very high89.5Confident63 Ų6360.9 Ų60.927%0.27429%0.289SS..Hα-helixtrans-61.8-40.9-178.2-170.7167.1-178.4148.90112.5V184 D185 F188 K214 L215 N222V184-K218 HydrophobicContact CG1-CB 4.47Å; V184-K218 HydrophobicContact CG1-CD 4Å; D185-K218 IonicContact OD1-NZ 3.5Å; D185-K218 PolarHBondContact OD1-NZ 3.18Å; F188-K218 HydrophobicContact CB-CD 4.05Å; F188-K218 HydrophobicContact CD2-CB 4.48Å; F188-K218 HydrophobicContact CD2-CD 4Å; F188-K218 HydrophobicContact CD2-CG 3.72Å; F188-K218 HydrophobicContact CE2-CG 4.01Å; F188-K218 HydrophobicContact CG-CD 3.96Å; F188-K218 HydrophobicContact CG-CG 4.19Å; K214-K218 WeakPolarHBondContact O-CB 3.45Å; K214-K218 PolarHBondContact O-N 3.31Å; L215-K218 PolarHBondContact O-N 3.45Å; K218-N222 PolarHBondContact O-N 3.4Å; K218-N222 VanDerWaalsContact O-N 3.15Å
219L92.9Very high88.7Confident0 Ų061.3 Ų61.30%029%0.292CS..Hα-helixtrans-64.8-44.2174.8-71.7171000111.7F188 P198 I200 L215 D216 K217 E221 N222 L223 F231 P563F188-L219 HydrophobicContact CD2-CD2 3.95Å; F188-L219 HydrophobicContact CE2-CD2 4.09Å; P198-L219 HydrophobicContact CG-CD1 4.24Å; I200-L219 HydrophobicContact CD1-CD1 4.37Å; L215-L219 HydrophobicContact CD1-CD1 4.16Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.93Å; L215-L219 HydrophobicContact CG-CG 4.35Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.9Å; D216-L219 PolarHBondContact O-N 3.49Å; K217-L219 PolarHBondContact O-N 2.89Å; L219-E221 PolarHBondContact O-N 2.9Å; L219-N222 PolarHBondContact O-N 3.16Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.2Å; L219-F231 HydrophobicContact CD2-CE1 4.41Å; L219-F231 HydrophobicContact CD2-CE2 3.78Å; L219-F231 HydrophobicContact CD2-CZ 3.48Å; L219-F231 VanDerWaalsContact CD2-CZ 3.48Å; L219-P563 HydrophobicContact CB-CB 3.75Å; L219-P563 HydrophobicContact CB-CG 4.15Å; L219-P563 HydrophobicContact CD1-CB 4.27Å; L219-P563 HydrophobicContact CD1-CG 3.8Å
220R91.1Very high88.1Confident41 Ų4161.6 Ų61.616%0.15529%0.294CS..Hα-helixtrans-61.6-43.6176.8-74.3170.4-170.3-66.7-9.2112.3D216 K217 L223 R224 D562 P563 M565D216-R220 WeakPolarHBondContact O-CB 2.91Å; D216-R220 WeakPolarHBondContact O-CG 3.43Å; D216-R220 PolarHBondContact O-N 3.21Å; D216-R220 IonicContact OD1-CZ 3.75Å; D216-R220 VanDerWaalsContact OD1-CZ 3.29Å; D216-R220 IonicContact OD1-NE 2.87Å; D216-R220 PolarHBondContact OD1-NE 2.9Å; D216-R220 IonicContact OD1-NH2 3.9Å; D216-R220 PolarHBondContact OD1-NH2 2.87Å; D216-R220 IonicContact OD2-CZ 2.74Å; D216-R220 IonicContact OD2-NE 3.23Å; D216-R220 PolarHBondContact OD2-NE 2.87Å; D216-R220 IonicContact OD2-NH2 2.67Å; D216-R220 PolarHBondContact OD2-NH2 2.83Å; K217-R220 WeakPolarHBondContact O-CB 3.41Å; K217-R220 PolarHBondContact O-N 3.49Å; R220-L223 PolarHBondContact O-N 2.9Å; R220-R224 VanDerWaalsContact O-CG 3.31Å; R220-R224 WeakPolarHBondContact O-CG 3.38Å; R220-R224 PolarHBondContact O-N 3Å; R220-D562 VanDerWaalsContact CZ-O 3.23Å; R220-D562 PolarHBondContact NH1-O 3.07Å; R220-D562 PolarHBondContact NH2-O 3.13Å; R220-P563 HydrophobicContact CG-CB 4.26Å; R220-P563 WeakPolarHBondContact CG-O 3.13Å; R220-M565 PolarHBondContact NH1-O 3.24Å
221E90.1Very high87.3Confident103 Ų10359.5 Ų59.548%0.48128%0.283SS..Hα-helixtrans-61-45179-74.2171.6174.600110.9K217 L219 L223 R224K217-E221 WeakPolarHBondContact CE-OE1 3.25Å; K217-E221 WeakPolarHBondContact CG-OE1 3.28Å; K217-E221 WeakPolarHBondContact O-CG 3.36Å; K217-E221 PolarHBondContact O-N 2.82Å; L219-E221 PolarHBondContact O-N 2.9Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3Å; E221-R224 PolarHBondContact O-N 2.82Å
222N89.3Confident85.7Confident28 Ų2863.6 Ų63.615%0.1531%0.309CS..Hα-helixtrans-65.7-33.3175.5-172.4-95.5000113.4F188 K218 L219 S229 L230 F231F188-N222 HydrophobicContact CE2-CB 4.06Å; F188-N222 HydrophobicContact CZ-CB 4.01Å; K218-N222 PolarHBondContact O-N 3.4Å; K218-N222 VanDerWaalsContact O-N 3.15Å; L219-N222 PolarHBondContact O-N 3.16Å; N222-S229 WeakPolarHBondContact O-CB 3.28Å; N222-S229 PolarHBondContact O-OG 3.08Å; N222-S229 PolarHBondContact OD1-OG 2.91Å; N222-L230 PolarHBondContact OD1-N 2.94Å; N222-F231 VanDerWaalsContact OD1-CD2 3.28Å; N222-F231 WeakPolarHBondContact OD1-CD2 3.05Å
223L86.4Confident83.5Confident32 Ų3265.3 Ų65.317%0.16833%0.327CS..Hα-helixtrans-75.3-23.8177.4-71.6170.3000113.5V197 L219 R220 E221 D225 F231 P563 K564V197-L223 HydrophobicContact CG1-CD1 4.04Å; V197-L223 HydrophobicContact CG2-CD1 4.17Å; V197-L223 HydrophobicContact CG2-CD2 4.14Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.2Å; R220-L223 PolarHBondContact O-N 2.9Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3Å; L223-D225 VanDerWaalsContact C-N 3.35Å; L223-F231 HydrophobicContact CD2-CB 4.05Å; L223-F231 HydrophobicContact CD2-CD2 4.22Å; L223-F231 HydrophobicContact CD2-CG 4.42Å; L223-P563 HydrophobicContact CD1-CB 4.41Å; L223-K564 HydrophobicContact CD1-CG 4.25Å
224R85Confident81Confident167 Ų16770.8 Ų70.863%0.6335%0.354SS*.Hα-helixtrans-71.3-32.4176.3-77.5174.1177.1-169.4-0.6111.9R220 E221 A226 L566R220-R224 VanDerWaalsContact O-CG 3.31Å; R220-R224 WeakPolarHBondContact O-CG 3.38Å; R220-R224 PolarHBondContact O-N 3Å; E221-R224 PolarHBondContact O-N 2.82Å; R224-A226 PolarHBondContact O-N 3.32Å; R224-A226 VanDerWaalsContact O-N 3.13Å; R224-L566 HydrophobicContact CG-CD2 3.77Å
225D79.8Confident78.6Confident69 Ų6974.8 Ų74.837%0.36938%0.377SS..  trans-84.779.6177.8-169.2-6.2000111.2L223 R227 N228 S229L223-D225 VanDerWaalsContact C-N 3.35Å; D225-R227 PolarHBondContact O-N 2.63Å; D225-R227 PolarHBondContact OD1-N 2.73Å; D225-N228 CarbonylContact O-C 3.6Å; D225-N228 PolarHBondContact O-N 2.81Å; D225-N228 PolarHBondContact OD1-N 3.03Å; D225-N228 WeakPolarHBondContact OD2-CB 3.31Å; D225-N228 PolarHBondContact OD2-ND2 3.41Å; D225-S229 WeakPolarHBondContact O-CA 3.48Å; D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.21Å
226A66.3Low76.4Confident82 Ų8276.6 Ų76.668%0.67839%0.386SS*.THydrogen-bonded Turntrans-60.2-18.1-176.100000114.7R224R224-A226 PolarHBondContact O-N 3.32Å; R224-A226 VanDerWaalsContact O-N 3.13Å
227R67.4Low74.1Confident238 Ų23878 Ų7890%0.89840%0.404SS*.THydrogen-bonded Turntrans-85.5-26.7176.8-62.9-163.4-161.5-147.36.7112.9D225D225-R227 PolarHBondContact O-N 2.63Å; D225-R227 PolarHBondContact OD1-N 2.73Å
228N71.4Confident71.4Confident108 Ų10877.2 Ų77.258%0.57842%0.421SS*.THydrogen-bonded Turntrans-118.812.9-177.6-58.2-40.9000113D225 L230D225-N228 CarbonylContact O-C 3.6Å; D225-N228 PolarHBondContact O-N 2.81Å; D225-N228 PolarHBondContact OD1-N 3.03Å; D225-N228 WeakPolarHBondContact OD2-CB 3.31Å; D225-N228 PolarHBondContact OD2-ND2 3.41Å; N228-L230 PolarHBondContact O-N 3.47Å
229S78.6Confident69Low9 Ų977.6 Ų77.66%0.06344%0.443CS..  trans-67.4124.4-177-173.80000110.4N222 D225 F231 T232N222-S229 WeakPolarHBondContact O-CB 3.28Å; N222-S229 PolarHBondContact O-OG 3.08Å; N222-S229 PolarHBondContact OD1-OG 2.91Å; D225-S229 WeakPolarHBondContact O-CA 3.48Å; D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.21Å; S229-F231 PolarHBondContact O-N 3.23Å; S229-T232 WeakPolarHBondContact CB-OG1 3.43Å; S229-T232 PolarHBondContact O-N 3.12Å
230L83.1Confident66.9Low49 Ų4981 Ų8126%0.25746%0.459SS..THydrogen-bonded Turntrans-74.2-9.4-179.2-61.7172.6000111.9Y140 F188 V192 N222 N228Y140-L230 HydrophobicContact CD1-CD1 4.35Å; Y140-L230 HydrophobicContact CD2-CD1 4.33Å; Y140-L230 HydrophobicContact CE1-CD1 3.81Å; Y140-L230 HydrophobicContact CE2-CD1 3.77Å; Y140-L230 HydrophobicContact CE2-CD2 3.98Å; Y140-L230 VanDerWaalsContact CZ-CD1 3.48Å; F188-L230 HydrophobicContact CE1-CD1 3.86Å; F188-L230 HydrophobicContact CZ-CD1 3.97Å; V192-L230 HydrophobicContact CG1-CB 4.17Å; V192-L230 HydrophobicContact CG1-CD1 4.29Å; V192-L230 HydrophobicContact CG2-CB 4.05Å; V192-L230 HydrophobicContact CG2-CD1 3.79Å; N222-L230 PolarHBondContact OD1-N 2.94Å; N228-L230 PolarHBondContact O-N 3.47Å
231F79.4Confident64.8Low16 Ų1685.4 Ų85.47%0.0748%0.479CS..THydrogen-bonded Turntrans-104.1-0.7-177-61.8-81.2000113.9F188 F191 V192 V197 L219 N222 L223 S229F188-F231 HydrophobicContact CE2-CE2 4.08Å; F188-F231 HydrophobicContact CE2-CZ 4.41Å; F188-F231 HydrophobicContact CZ-CE2 4.38Å; F191-F231 HydrophobicContact CB-CE1 4.2Å; F191-F231 HydrophobicContact CB-CZ 4.29Å; F191-F231 WeakPolarHBondContact O-CE1 3.43Å; V192-F231 HydrophobicContact CG2-CE1 4.46Å; V192-F231 HydrophobicContact CG2-CE2 4.27Å; V192-F231 HydrophobicContact CG2-CZ 3.86Å; V197-F231 HydrophobicContact CG2-CB 4.08Å; V197-F231 HydrophobicContact CG2-CD1 3.6Å; V197-F231 HydrophobicContact CG2-CD2 4.18Å; V197-F231 HydrophobicContact CG2-CE1 4.03Å; V197-F231 HydrophobicContact CG2-CG 3.68Å; L219-F231 HydrophobicContact CD2-CE1 4.41Å; L219-F231 HydrophobicContact CD2-CE2 3.78Å; L219-F231 HydrophobicContact CD2-CZ 3.48Å; L219-F231 VanDerWaalsContact CD2-CZ 3.48Å; N222-F231 VanDerWaalsContact OD1-CD2 3.28Å; N222-F231 WeakPolarHBondContact OD1-CD2 3.05Å; L223-F231 HydrophobicContact CD2-CB 4.05Å; L223-F231 HydrophobicContact CD2-CD2 4.22Å; L223-F231 HydrophobicContact CD2-CG 4.42Å; S229-F231 PolarHBondContact O-N 3.23Å
232T62.8Low63Low86 Ų8683.3 Ų83.353%0.52848%0.476SS..THydrogen-bonded Turntrans-133.7-1.9-174.664.50000115.6S229S229-T232 WeakPolarHBondContact CB-OG1 3.43Å; S229-T232 PolarHBondContact O-N 3.12Å
233G52.1Low61.3Low37 Ų3792 Ų9238%0.38151%0.513SS..SBendtrans-90.6165.1-173.900000116.2N235 M236G233-N235 PolarHBondContact O-N 3.14Å; G233-M236 PolarHBondContact O-N 2.79Å
234D45.2Very low60.5Low176 Ų17694.7 Ų94.794%0.94153%0.525SS*.THydrogen-bonded Turntrans-53-11.1176.8-91.4-20.8000115.4M236D234-M236 PolarHBondContact O-N 2.81Å
235N46.9Very low60.5Low124 Ų12489.1 Ų89.166%0.66350%0.504SS*.THydrogen-bonded Turntrans-70.1-17173.2-87.8-39.2000113.5R15 G233R15-N235 PolarHBondContact NH1-OD1 3.39Å; R15-N235 VanDerWaalsContact NH1-OD1 3.09Å; G233-N235 PolarHBondContact O-N 3.14Å
236M51.7Low61.1Low38 Ų3886.1 Ų86.119%0.18749%0.488CS..SBendtrans-100.1108.6172-77.8-102.3112.300108.7G195 G233 D234 Q240G195-M236 WeakPolarHBondContact CA-SD 3.37Å; G233-M236 PolarHBondContact O-N 2.79Å; D234-M236 PolarHBondContact O-N 2.81Å; M236-Q240 VanDerWaalsContact CE-CD 3.49Å; M236-Q240 HydrophobicContact SD-CB 3.83Å; M236-Q240 HydrophobicContact SD-CG 4.43Å; M236-Q240 PolarHBondContact SD-OE1 2.88Å
237G46.9Very low62.5Low44 Ų4482.2 Ų82.245%0.45446%0.456SS..  trans-55.9143.7-179.100000111.8G239 Q240G237-G239 PolarHBondContact O-N 3.47Å; G237-Q240 VanDerWaalsContact N-OE1 3.12Å; G237-Q240 PolarHBondContact O-N 2.9Å; G237-Q240 VanDerWaalsContact O-N 3.11Å
238A39.2Very low63.9Low111 Ų11170.9 Ų70.992%0.91741%0.413SS*.THydrogen-bonded Turntrans-54.894.1175.200000110.5
239G43.9Very low65.2Low71 Ų7165.9 Ų65.973%0.73239%0.386SS*.THydrogen-bonded Turntrans148.2-11.5-171.900000115G237G237-G239 PolarHBondContact O-N 3.47Å
240Q49.3Very low66.1Low73 Ų7365.5 Ų65.534%0.34138%0.383SS..  trans-90.6-0.9178.7-75.2173-37.400114.9M236 G237 S242M236-Q240 VanDerWaalsContact CE-CD 3.49Å; M236-Q240 HydrophobicContact SD-CB 3.83Å; M236-Q240 HydrophobicContact SD-CG 4.43Å; M236-Q240 PolarHBondContact SD-OE1 2.88Å; G237-Q240 VanDerWaalsContact N-OE1 3.12Å; G237-Q240 PolarHBondContact O-N 2.9Å; G237-Q240 VanDerWaalsContact O-N 3.11Å; Q240-S242 PolarHBondContact O-N 3.05Å; Q240-S242 VanDerWaalsContact O-N 3.15Å
241F46.8Very low66.7Low132 Ų13263.3 Ų63.358%0.57937%0.372SS*.  trans-73.9105.7174.7-64.9-73.7000110.5F243F241-F243 PolarHBondContact O-N 3.29Å
242S51.5Low67.4Low59 Ų5963 Ų6341%0.41337%0.371SS..  trans-71.4121.6161.2-170.70000108.8Q240 Q244Q240-S242 PolarHBondContact O-N 3.05Å; Q240-S242 VanDerWaalsContact O-N 3.15Å; S242-Q244 WeakPolarHBondContact CB-O 3.09Å; S242-Q244 PolarHBondContact O-N 3.18Å; S242-Q244 PolarHBondContact OG-N 3.06Å; S242-Q244 PolarHBondContact OG-O 2.91Å
243F54.4Low68.9Low212 Ų21259 Ų5993%0.9335%0.347SS*.SBendtrans-65.2-19173.5-70.4-83.6000112F241F241-F243 PolarHBondContact O-N 3.29Å
244Q68Low70.8Confident88 Ų8859.4 Ų59.441%0.41134%0.34SS..SBendtrans-113.9127.7174.9-66.7-169.33.400110.7S242 Q581S242-Q244 WeakPolarHBondContact CB-O 3.09Å; S242-Q244 PolarHBondContact O-N 3.18Å; S242-Q244 PolarHBondContact OG-N 3.06Å; S242-Q244 PolarHBondContact OG-O 2.91Å; Q244-Q581 VanDerWaalsContact OE1-CG 3.3Å
245R85.5Confident72.9Confident50 Ų5054.6 Ų54.619%0.18931%0.314CS..PPolyproline II helixtrans-76.4135.7178.9-67.5170.665.5-166.41.8109.9V197 P198 D562V197-R245 PolarHBondContact O-NE 2.92Å; P198-R245 PolarHBondContact O-NH2 2.84Å; R245-D562 IonicContact CZ-OD1 2.88Å; R245-D562 IonicContact CZ-OD2 3.69Å; R245-D562 IonicContact NH1-OD1 3.37Å; R245-D562 PolarHBondContact NH1-OD1 3.37Å; R245-D562 IonicContact NH1-OD2 2.91Å; R245-D562 PolarHBondContact NH1-OD2 2.78Å; R245-D562 IonicContact NH2-OD1 3.29Å; R245-D562 PolarHBondContact NH2-OD1 2.83Å
246P92.1Very high75.1Confident5 Ų549.3 Ų49.33%0.03229%0.286CS..PPolyproline II helixtrans-69146176.229.5-34.3000110.5A196 P198 I199 E582 I584A196-P246 HydrophobicContact CB-CG 4.07Å; P198-P246 CarbonylContact C-O 3.56Å; P198-P246 VanDerWaalsContact CA-O 3.27Å; P198-P246 WeakPolarHBondContact CA-O 3.36Å; P198-P246 HydrophobicContact CB-CG 4.45Å; I199-P246 PolarHBondContact N-O 3.34Å; P246-E582 WeakPolarHBondContact CA-O 3.45Å; P246-E582 HydrophobicContact CB-CB 4.09Å; P246-I584 HydrophobicContact CB-CD1 4.03Å; P246-I584 HydrophobicContact CG-CD1 4.13Å
247L95.5Very high77.2Confident1 Ų147.6 Ų47.61%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-76.9129.3166.3175.265.4000109I199 R201 V249 L546 M547 F580 E582 A583 I584I199-L247 HydrophobicContact CG2-CD1 4.47Å; R201-L247 HydrophobicContact CB-CD1 4.32Å; R201-L247 HydrophobicContact CG-CD1 3.53Å; L247-V249 HydrophobicContact CD1-CG2 4.35Å; L247-V249 HydrophobicContact CD2-CG2 3.63Å; L247-V249 HydrophobicContact CG-CG2 3.68Å; L247-L546 HydrophobicContact CD2-CB 3.91Å; L247-M547 HydrophobicContact CD2-CG 3.96Å; L247-F580 HydrophobicContact CB-CB 4.13Å; L247-F580 HydrophobicContact CB-CD1 3.84Å; L247-F580 HydrophobicContact CB-CD2 3.9Å; L247-F580 HydrophobicContact CB-CE1 4.16Å; L247-F580 HydrophobicContact CB-CE2 4.17Å; L247-F580 HydrophobicContact CB-CG 3.7Å; L247-F580 HydrophobicContact CB-CZ 4.32Å; L247-F580 HydrophobicContact CD1-CD2 4.24Å; L247-F580 HydrophobicContact CD1-CE2 3.79Å; L247-F580 HydrophobicContact CD1-CZ 4.03Å; L247-F580 HydrophobicContact CD2-CD2 3.76Å; L247-F580 HydrophobicContact CD2-CE2 4.1Å; L247-F580 HydrophobicContact CD2-CG 4.3Å; L247-F580 HydrophobicContact CG-CD2 4.18Å; L247-F580 HydrophobicContact CG-CE2 4.23Å; L247-F580 HydrophobicContact CG-CG 4.47Å; L247-E582 PolarHBondContact N-O 3.26Å; L247-A583 HydrophobicContact CB-CB 4.16Å; L247-A583 HydrophobicContact CD2-CB 4.5Å; L247-A583 CarbonylContact O-C 3.55Å; L247-A583 WeakPolarHBondContact O-CA 3.43Å; L247-I584 PolarHBondContact O-N 3.05Å
248F97.8Very high79.5Confident0 Ų045.8 Ų45.80%026%0.258CS..EExtended strand (participates in β ladder)trans-107.8109.8171.3-178.2-131.4000109.4L187 F191 P198 I199 I200 R201 L215 L250 I584 F586L187-F248 HydrophobicContact CD1-CE1 4.38Å; L187-F248 HydrophobicContact CD1-CZ 3.99Å; L187-F248 HydrophobicContact CD2-CE2 4.48Å; L187-F248 HydrophobicContact CD2-CZ 3.94Å; F191-F248 HydrophobicContact CE2-CD1 4.17Å; F191-F248 HydrophobicContact CE2-CD2 4.34Å; F191-F248 HydrophobicContact CE2-CE1 4.18Å; F191-F248 HydrophobicContact CE2-CE2 4.3Å; F191-F248 HydrophobicContact CE2-CG 4.26Å; F191-F248 HydrophobicContact CE2-CZ 4.24Å; F191-F248 HydrophobicContact CZ-CB 4.11Å; F191-F248 HydrophobicContact CZ-CD1 4.12Å; F191-F248 AromaticContact CZ-CD2 3.77Å; F191-F248 HydrophobicContact CZ-CD2 3.77Å; F191-F248 HydrophobicContact CZ-CE1 4.47Å; F191-F248 HydrophobicContact CZ-CE2 4.11Å; F191-F248 AromaticContact CZ-CG 3.76Å; F191-F248 HydrophobicContact CZ-CG 3.76Å; F191-F248 HydrophobicContact CZ-CZ 4.47Å; P198-F248 HydrophobicContact CB-CB 3.56Å; P198-F248 HydrophobicContact CG-CB 4.07Å; I199-F248 PolarHBondContact O-N 3.22Å; I200-F248 CarbonylContact C-O 3.55Å; I200-F248 WeakPolarHBondContact CA-O 3.38Å; I200-F248 HydrophobicContact CB-CD1 4.45Å; I200-F248 HydrophobicContact CG1-CB 4.5Å; I200-F248 HydrophobicContact CG1-CD1 4.1Å; I200-F248 HydrophobicContact CG2-CD1 3.92Å; R201-F248 PolarHBondContact N-O 3.45Å; L215-F248 HydrophobicContact CD2-CD1 4.05Å; L215-F248 HydrophobicContact CD2-CE1 3.57Å; L215-F248 HydrophobicContact CD2-CZ 4.44Å; F248-L250 HydrophobicContact CD1-CD1 4.3Å; F248-L250 HydrophobicContact CD1-CG 4.16Å; F248-L250 HydrophobicContact CE1-CD1 3.8Å; F248-L250 HydrophobicContact CE1-CD2 3.68Å; F248-L250 HydrophobicContact CE1-CG 3.59Å; F248-L250 HydrophobicContact CZ-CD2 3.59Å; F248-L250 HydrophobicContact CZ-CG 3.93Å; F248-I584 CarbonylContact C-O 3.52Å; F248-I584 WeakPolarHBondContact CA-O 3.02Å; F248-I584 HydrophobicContact CD2-CB 3.87Å; F248-I584 HydrophobicContact CD2-CG2 3.62Å; F248-I584 HydrophobicContact CE2-CG2 3.79Å; F248-F586 HydrophobicContact CE2-CB 3.44Å; F248-F586 VanDerWaalsContact CE2-CB 3.44Å; F248-F586 HydrophobicContact CE2-CG 4.36Å; F248-F586 HydrophobicContact CZ-CB 3.66Å; F248-F586 HydrophobicContact CZ-CG 4.22Å
249V98Very high82.1Confident3 Ų340.8 Ų40.82%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-101.4114.2179.3-175.80000108.7R201 L247 I542 L543 L546 Y558 I584 V585 F586R201-V249 WeakPolarHBondContact O-CA 3.49Å; L247-V249 HydrophobicContact CD1-CG2 4.35Å; L247-V249 HydrophobicContact CD2-CG2 3.63Å; L247-V249 HydrophobicContact CG-CG2 3.68Å; V249-I542 HydrophobicContact CG1-CG2 4.14Å; V249-L543 HydrophobicContact CG2-CD1 3.89Å; V249-L546 HydrophobicContact CB-CD1 4.38Å; V249-L546 HydrophobicContact CG1-CD1 3.63Å; V249-L546 HydrophobicContact CG2-CB 4.49Å; V249-L546 HydrophobicContact CG2-CD1 3.82Å; V249-Y558 HydrophobicContact CG1-CE1 4.42Å; V249-I584 PolarHBondContact N-O 2.97Å; V249-V585 CarbonylContact O-C 3.58Å; V249-V585 WeakPolarHBondContact O-CA 3.1Å; V249-F586 PolarHBondContact O-N 2.8Å
250L97.9Very high84.6Confident0 Ų037.7 Ų37.70%018%0.183CC..EExtended strand (participates in β ladder)trans-89.5133170.8-73.7160.2000109.6I200 R201 C202 P203 A208 V211 A212 F248 F586 V588I200-L250 HydrophobicContact CG2-CD1 3.88Å; R201-L250 PolarHBondContact O-N 3.03Å; C202-L250 HydrophobicContact CB-CB 3.82Å; C202-L250 HydrophobicContact CB-CD1 4.18Å; P203-L250 WeakPolarHBondContact CD-O 3.48Å; A208-L250 HydrophobicContact CB-CB 4.01Å; V211-L250 HydrophobicContact CG1-CD1 4.28Å; V211-L250 HydrophobicContact CG1-CD2 4.08Å; A212-L250 HydrophobicContact CB-CD1 3.53Å; F248-L250 HydrophobicContact CD1-CD1 4.3Å; F248-L250 HydrophobicContact CD1-CG 4.16Å; F248-L250 HydrophobicContact CE1-CD1 3.8Å; F248-L250 HydrophobicContact CE1-CD2 3.68Å; F248-L250 HydrophobicContact CE1-CG 3.59Å; F248-L250 HydrophobicContact CZ-CD2 3.59Å; F248-L250 HydrophobicContact CZ-CG 3.93Å; L250-F586 WeakPolarHBondContact CA-O 3.41Å; L250-F586 HydrophobicContact CD2-CB 4.08Å; L250-F586 HydrophobicContact CD2-CD1 3.7Å; L250-F586 HydrophobicContact CD2-CG 4.32Å; L250-V588 HydrophobicContact CD2-CG2 4.23Å
251A95.4Very high86.9Confident3 Ų334.2 Ų34.23%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-121152.5170.500000109.6V539 F586 V587 V588A251-V539 HydrophobicContact CB-CG2 4.45Å; A251-F586 PolarHBondContact N-O 2.82Å; A251-V587 HydrophobicContact CB-CG2 4.32Å; A251-V587 WeakPolarHBondContact O-CA 3.49Å; A251-V588 PolarHBondContact O-N 3.32Å
252D93.9Very high89.2Confident9 Ų928.4 Ų28.45%0.04814%0.142CC..EExtended strand (participates in β ladder)trans-105.6137.9171.8-169.9-69.4000108.2N206 A207 A208 N254 L255N206-D252 HydrophobicContact CB-CB 4.38Å; N206-D252 WeakPolarHBondContact ND2-CB 3.25Å; A207-D252 PolarHBondContact N-OD2 3Å; A208-D252 HydrophobicContact CB-CB 4.31Å; D252-N254 PolarHBondContact O-N 2.91Å; D252-N254 VanDerWaalsContact O-N 3.08Å; D252-N254 VanDerWaalsContact OD1-CB 3.22Å; D252-N254 WeakPolarHBondContact OD1-CB 3.18Å; D252-N254 PolarHBondContact OD1-N 3.31Å; D252-N254 PolarHBondContact OD1-ND2 3.05Å; D252-L255 WeakPolarHBondContact O-CB 3.4Å; D252-L255 PolarHBondContact O-N 3.06Å
253R95.1Very high91.3Very high3 Ų325.7 Ų25.71%0.01112%0.122CC..G310 helixtrans-56.3-26-180176.551.650.8-1571.2112.8Y163 L255 D256 L257 V587 V588 G589 G590 E595 F624Y163-R253 HydrophobicContact CD2-CB 3.69Å; Y163-R253 HydrophobicContact CD2-CG 3.62Å; Y163-R253 HydrophobicContact CE2-CB 4Å; Y163-R253 HydrophobicContact CE2-CG 3.93Å; Y163-R253 HydrophobicContact CG-CG 4.28Å; R253-L255 PolarHBondContact O-N 3.19Å; R253-D256 WeakPolarHBondContact CD-O 3.4Å; R253-D256 PolarHBondContact NH1-O 3.44Å; R253-D256 CarbonylContact O-C 3.52Å; R253-D256 PolarHBondContact O-N 3.5Å; R253-L257 HydrophobicContact CG-CD2 3.97Å; R253-L257 WeakPolarHBondContact O-CD2 3.43Å; R253-V587 HydrophobicContact CB-CG1 4.38Å; R253-V588 WeakPolarHBondContact CB-O 3.48Å; R253-V588 PolarHBondContact N-O 3.49Å; R253-G589 WeakPolarHBondContact CB-O 3.49Å; R253-G589 WeakPolarHBondContact CG-O 3.44Å; R253-G590 VanDerWaalsContact CZ-O 3.3Å; R253-G590 PolarHBondContact NE-O 3.24Å; R253-G590 PolarHBondContact NH2-O 2.87Å; R253-E595 IonicContact CZ-OE1 2.81Å; R253-E595 VanDerWaalsContact CZ-OE1 3.26Å; R253-E595 IonicContact CZ-OE2 3.05Å; R253-E595 IonicContact NH1-OE1 2.64Å; R253-E595 PolarHBondContact NH1-OE1 3.3Å; R253-E595 IonicContact NH1-OE2 3.51Å; R253-E595 IonicContact NH2-OE1 3.37Å; R253-E595 PolarHBondContact NH2-OE1 3.4Å; R253-E595 IonicContact NH2-OE2 2.71Å; R253-E595 PolarHBondContact NH2-OE2 3.35Å; R253-F624 HydrophobicContact CG-CE2 4.15Å; R253-F624 HydrophobicContact CG-CZ 4.08Å
254N92Very high93.1Very high46 Ų4616 Ų1625%0.2468%0.08CC..G310 helixtrans-58.7-16172.5-74.1-55.4000114.4Y163 D252 D256 W488Y163-N254 PolarHBondContact OH-OD1 3.38Å; D252-N254 PolarHBondContact O-N 2.91Å; D252-N254 VanDerWaalsContact O-N 3.08Å; D252-N254 VanDerWaalsContact OD1-CB 3.22Å; D252-N254 WeakPolarHBondContact OD1-CB 3.18Å; D252-N254 PolarHBondContact OD1-N 3.31Å; D252-N254 PolarHBondContact OD1-ND2 3.05Å; N254-D256 VanDerWaalsContact C-N 3.32Å; N254-W488 WeakPolarHBondContact O-CZ2 3.36Å; N254-W488 PolarHBondContact OD1-NE1 3.28Å
255L89.8Confident94.2Very high74 Ų7411.9 Ų11.939%0.3876%0.061SC..G310 helixtrans-63.2-38.2172.4-179.974.4000112.3D252 R253 P538 V539 I542D252-L255 WeakPolarHBondContact O-CB 3.4Å; D252-L255 PolarHBondContact O-N 3.06Å; R253-L255 PolarHBondContact O-N 3.19Å; L255-P538 HydrophobicContact CD2-CB 4.15Å; L255-P538 HydrophobicContact CG-CB 4.29Å; L255-V539 HydrophobicContact CD2-CG2 4Å; L255-I542 HydrophobicContact CD1-CD1 3.75Å; L255-I542 HydrophobicContact CD2-CD1 3.28Å; L255-I542 HydrophobicContact CG-CD1 4.12Å
256D92.8Very high94.7Very high14 Ų1410.1 Ų10.18%0.0756%0.056CC..  trans-152.298-173.2-174.84.4000111.6R253 N254 A258 T259 P538R253-D256 WeakPolarHBondContact CD-O 3.4Å; R253-D256 PolarHBondContact NH1-O 3.44Å; R253-D256 CarbonylContact O-C 3.52Å; R253-D256 PolarHBondContact O-N 3.5Å; N254-D256 VanDerWaalsContact C-N 3.32Å; D256-A258 PolarHBondContact OD1-N 3.19Å; D256-T259 PolarHBondContact OD1-N 3.18Å; D256-T259 PolarHBondContact OD1-OG1 2.75Å; D256-T259 WeakPolarHBondContact OD2-CB 3.34Å; D256-T259 PolarHBondContact OD2-OG1 3.36Å; D256-P538 HydrophobicContact CB-CB 4.29Å; D256-P538 HydrophobicContact CB-CG 4.09Å; D256-P538 WeakPolarHBondContact OD2-CD 3.26Å; D256-P538 WeakPolarHBondContact OD2-CG 3.27Å
257L95.3Very high94.9Very high1 Ų19.9 Ų9.91%0.0056%0.055CC..SBendtrans-92.8-8.9173.3-54.1-174.3000112.9Y163 R253 L261 I454 I485 W488 F624Y163-L257 HydrophobicContact CE2-CD2 4.19Å; R253-L257 HydrophobicContact CG-CD2 3.97Å; R253-L257 WeakPolarHBondContact O-CD2 3.43Å; L257-L261 WeakPolarHBondContact O-CD1 3.38Å; L257-L261 WeakPolarHBondContact O-CG 3.17Å; L257-I454 HydrophobicContact CB-CD1 3.97Å; L257-I485 HydrophobicContact CD1-CD1 3.59Å; L257-W488 HydrophobicContact CD1-CD2 3.4Å; L257-W488 HydrophobicContact CD1-CE3 3.86Å; L257-W488 HydrophobicContact CD1-CG 3.71Å; L257-W488 HydrophobicContact CD1-CH2 4.26Å; L257-W488 HydrophobicContact CD1-CZ2 3.83Å; L257-W488 HydrophobicContact CD1-CZ3 4.27Å; L257-W488 HydrophobicContact CG-CD2 4.39Å; L257-W488 HydrophobicContact CG-CH2 4.36Å; L257-W488 HydrophobicContact CG-CZ2 3.91Å; L257-F624 HydrophobicContact CD2-CE1 4.48Å; L257-F624 HydrophobicContact CD2-CZ 3.83Å
258A94.9Very high95Very high7 Ų710 Ų106%0.0586%0.055CC..SBendtrans-83.5-47.5-176.400000111.5D256 P260 L261 H262 I454 T455D256-A258 PolarHBondContact OD1-N 3.19Å; A258-P260 VanDerWaalsContact C-CD 3.45Å; A258-L261 WeakPolarHBondContact O-CB 3.39Å; A258-L261 PolarHBondContact O-N 2.93Å; A258-H262 PolarHBondContact O-N 3.26Å; A258-I454 HydrophobicContact CB-CB 4.49Å; A258-I454 HydrophobicContact CB-CG2 3.92Å; A258-T455 HydrophobicContact CB-CG2 4.25Å
259T95.1Very high94.9Very high6 Ų610.1 Ų10.14%0.0376%0.056CC..G310 helixtrans-52.1-45.9-179.3-66.70000113.2D256 L261 H262 L537 I594 E595D256-T259 PolarHBondContact OD1-N 3.18Å; D256-T259 PolarHBondContact OD1-OG1 2.75Å; D256-T259 WeakPolarHBondContact OD2-CB 3.34Å; D256-T259 PolarHBondContact OD2-OG1 3.36Å; T259-L261 PolarHBondContact O-N 3.12Å; T259-H262 VanDerWaalsContact O-CB 3.25Å; T259-H262 WeakPolarHBondContact O-CB 3.44Å; T259-H262 PolarHBondContact O-N 3.2Å; T259-H262 VanDerWaalsContact O-N 3.12Å; T259-L537 HydrophobicContact CG2-CD1 3.84Å; T259-I594 HydrophobicContact CG2-CB 4.1Å; T259-I594 HydrophobicContact CG2-CG2 4.03Å; T259-I594 WeakPolarHBondContact O-CD1 3.3Å; T259-E595 HydrophobicContact CG2-CG 3.91Å
260P96.3Very high94.8Very high5 Ų510.1 Ų10.13%0.0326%0.056CC..G310 helixtrans-71.8-11.7-177.7-9.624000114.8A258 F619 A621 F624A258-P260 VanDerWaalsContact C-CD 3.45Å; P260-F619 HydrophobicContact CB-CE2 3.44Å; P260-F619 VanDerWaalsContact CB-CE2 3.44Å; P260-F619 HydrophobicContact CB-CZ 3.98Å; P260-F619 HydrophobicContact CG-CE2 4.23Å; P260-F619 HydrophobicContact CG-CZ 4.28Å; P260-A621 WeakPolarHBondContact O-CA 3.48Å; P260-A621 WeakPolarHBondContact O-CB 3.45Å; P260-F624 HydrophobicContact CB-CD1 3.93Å; P260-F624 HydrophobicContact CB-CE1 4.17Å; P260-F624 HydrophobicContact CB-CG 4.47Å; P260-F624 HydrophobicContact CG-CD1 4.47Å; P260-F624 HydrophobicContact CG-CE1 4.21Å
261L97.1Very high94.7Very high0 Ų010.1 Ų10.10%06%0.056CC..G310 helixtrans-91.3-17.7173.7-62.5172.4000112.1L257 A258 T259 R447 L450 I451 I454 F624 I625 L628L257-L261 WeakPolarHBondContact O-CD1 3.38Å; L257-L261 WeakPolarHBondContact O-CG 3.17Å; A258-L261 WeakPolarHBondContact O-CB 3.39Å; A258-L261 PolarHBondContact O-N 2.93Å; T259-L261 PolarHBondContact O-N 3.12Å; L261-R447 PolarHBondContact O-NE 2.93Å; L261-R447 PolarHBondContact O-NH2 2.69Å; L261-L450 HydrophobicContact CD1-CB 3.67Å; L261-L450 HydrophobicContact CD1-CD1 4.04Å; L261-L450 HydrophobicContact CD2-CD1 4.48Å; L261-I451 HydrophobicContact CB-CD1 4.07Å; L261-I451 HydrophobicContact CB-CG1 3.84Å; L261-I454 HydrophobicContact CD1-CD1 3.83Å; L261-F624 HydrophobicContact CD2-CD1 3.87Å; L261-F624 HydrophobicContact CG-CD1 4.17Å; L261-F624 HydrophobicContact CG-CE1 4.45Å; L261-I625 HydrophobicContact CD2-CD1 4.08Å; L261-I625 HydrophobicContact CD2-CG1 3.46Å; L261-I625 VanDerWaalsContact CD2-CG1 3.46Å; L261-L628 HydrophobicContact CD2-CD1 4.39Å
262H94.9Very high94.8Very high11 Ų1110.5 Ų10.55%0.0516%0.057CC..SBendtrans-64.3135.9-175.7-172.1-131.1000111.8A258 T259 F414 E417 E418 M421 R447 I594A258-H262 PolarHBondContact O-N 3.26Å; T259-H262 VanDerWaalsContact O-CB 3.25Å; T259-H262 WeakPolarHBondContact O-CB 3.44Å; T259-H262 PolarHBondContact O-N 3.2Å; T259-H262 VanDerWaalsContact O-N 3.12Å; H262-F414 AromaticContact CE1-CD2 3.87Å; H262-F414 AromaticContact CE1-CE2 3.45Å; H262-F414 VanDerWaalsContact CE1-CE2 3.45Å; H262-F414 WeakPolarHBondContact CE1-CE2 3.4Å; H262-F414 AromaticContact NE2-CD2 3.93Å; H262-F414 AromaticContact NE2-CE2 3.9Å; H262-E417 WeakPolarHBondContact CD2-CB 3.3Å; H262-E417 IonicContact CD2-OE2 2.67Å; H262-E417 PolarHBondContact CD2-OE2 3.01Å; H262-E417 IonicContact CG-OE2 3.93Å; H262-E417 IonicContact NE2-OE2 3.2Å; H262-E418 IonicContact CE1-OE1 2.8Å; H262-E418 PolarHBondContact CE1-OE1 2.88Å; H262-E418 IonicContact NE2-OE1 3.52Å; H262-M421 HydrophobicContact CB-CE 4.34Å; H262-M421 HydrophobicContact CB-SD 4.21Å; H262-M421 WeakPolarHBondContact CD2-CE 3.26Å; H262-M421 WeakPolarHBondContact CE1-CE 3.49Å; H262-M421 VanDerWaalsContact CG-CE 3.46Å; H262-M421 WeakPolarHBondContact ND1-CE 3.47Å; H262-M421 WeakPolarHBondContact NE2-CE 3.42Å; H262-R447 VanDerWaalsContact C-NH2 3.34Å; H262-R447 PolarHBondContact O-NH2 3.3Å; H262-I594 HydrophobicContact CB-CD1 4.26Å
263H95.4Very high94.9Very high2 Ų211 Ų111%0.0096%0.06CC..  trans-65.7140.5163.5-72.491.8000109.1D273 F414 E417 D444 R447H263-D273 IonicContact CD2-OD2 3.33Å; H263-F414 HydrophobicContact CB-CB 4.44Å; H263-F414 VanDerWaalsContact O-CD2 3.24Å; H263-F414 WeakPolarHBondContact O-CD2 3.47Å; H263-E417 WeakPolarHBondContact CB-OE2 3.41Å; H263-E417 IonicContact CE1-OE1 2.87Å; H263-E417 IonicContact CG-OE1 3.11Å; H263-E417 IonicContact CG-OE2 2.71Å; H263-E417 PolarHBondContact N-OE2 3.18Å; H263-E417 IonicContact ND1-OE1 3.76Å; H263-E417 PolarHBondContact ND1-OE1 2.83Å; H263-E417 IonicContact ND1-OE2 3.73Å; H263-E417 PolarHBondContact ND1-OE2 3.22Å; H263-D444 IonicContact CE1-OD1 3.29Å; H263-D444 IonicContact NE2-OD1 2.69Å; H263-D444 PolarHBondContact NE2-OD1 3.13Å; H263-R447 PolarHBondContact CD2-NH1 3.34Å; H263-R447 PolarHBondContact NE2-NH1 2.96Å
264T91.6Very high94.9Very high8 Ų811.6 Ų11.65%0.0496%0.064CC..  trans-114.4156.8-174.9179.30000110.7T266 A269 L270 D273T264-T266 PolarHBondContact OG1-OG1 3.35Å; T264-A269 HydrophobicContact CG2-CB 3.53Å; T264-A269 WeakPolarHBondContact CG2-O 3.5Å; T264-A269 VanDerWaalsContact OG1-CB 3.32Å; T264-A269 WeakPolarHBondContact OG1-CB 3.34Å; T264-L270 HydrophobicContact CG2-CB 4.08Å; T264-L270 VanDerWaalsContact CG2-N 3.31Å; T264-L270 WeakPolarHBondContact O-CD1 3.19Å; T264-D273 HydrophobicContact CG2-CB 4.29Å
265W92.4Very high95.1Very high2 Ų210.2 Ų10.21%0.0086%0.056CC..  trans-120.32.4-178.7-140.1-117.7000113.7P323 F324 I405 L410 D411 F414 V527 L530 L532W265-P323 CarbonylContact O-C 3.46Å; W265-P323 WeakPolarHBondContact O-CA 3.42Å; W265-F324 PolarHBondContact O-N 2.7Å; W265-I405 HydrophobicContact CH2-CD1 4.24Å; W265-I405 HydrophobicContact CH2-CG1 4.34Å; W265-I405 HydrophobicContact CH2-CG2 3.87Å; W265-I405 HydrophobicContact CZ3-CG1 4.47Å; W265-L410 HydrophobicContact CZ3-CB 4.44Å; W265-D411 HydrophobicContact CH2-CB 3.78Å; W265-D411 HydrophobicContact CZ2-CB 4.31Å; W265-F414 HydrophobicContact CB-CD2 4.42Å; W265-F414 HydrophobicContact CB-CE1 4.48Å; W265-F414 HydrophobicContact CB-CE2 4Å; W265-F414 HydrophobicContact CB-CZ 4.08Å; W265-F414 HydrophobicContact CE3-CB 4.27Å; W265-F414 HydrophobicContact CE3-CD1 4.48Å; W265-F414 HydrophobicContact CE3-CD2 4.3Å; W265-F414 HydrophobicContact CE3-CG 4.07Å; W265-F414 HydrophobicContact CZ3-CB 4.32Å; W265-V527 HydrophobicContact CZ2-CG1 3.6Å; W265-L530 HydrophobicContact CH2-CD1 4.19Å; W265-L530 HydrophobicContact CZ2-CD1 3.7Å; W265-L532 HydrophobicContact CB-CD1 4.26Å; W265-L532 HydrophobicContact CB-CD2 3.94Å; W265-L532 HydrophobicContact CB-CG 4.27Å
266T94.6Very high95.2Very high13 Ų139.8 Ų9.88%0.086%0.055CC..BIsolated β-bridgetrans-92.4145175.460.80000110.5T264 Q268 A269 L270 S322 L532 Q597T264-T266 PolarHBondContact OG1-OG1 3.35Å; T266-Q268 PolarHBondContact O-N 3.42Å; T266-A269 PolarHBondContact O-N 3.45Å; T266-A269 WeakPolarHBondContact OG1-CB 3.4Å; T266-L270 WeakPolarHBondContact O-CB 3.39Å; T266-L270 PolarHBondContact O-N 3.04Å; T266-S322 WeakPolarHBondContact CA-O 3.45Å; T266-L532 HydrophobicContact CG2-CD1 3.79Å; T266-Q597 HydrophobicContact CG2-CG 4.11Å
267Y96.8Very high95.3Very high0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-56.9-49.3-166.8-173.8-144.8000114L270 I271 F315 W316 S322 F324 V327 H394 V397Y267-L270 PolarHBondContact O-N 3.38Å; Y267-I271 HydrophobicContact CD1-CD1 4.33Å; Y267-I271 HydrophobicContact CD2-CD1 3.65Å; Y267-I271 HydrophobicContact CD2-CG1 4.09Å; Y267-I271 HydrophobicContact CE1-CD1 4.12Å; Y267-I271 HydrophobicContact CE2-CD1 3.42Å; Y267-I271 VanDerWaalsContact CE2-CD1 3.42Å; Y267-I271 HydrophobicContact CE2-CG1 3.99Å; Y267-I271 HydrophobicContact CG-CD1 4.11Å; Y267-I271 WeakPolarHBondContact O-CB 3.45Å; Y267-I271 WeakPolarHBondContact O-CD1 3.49Å; Y267-I271 VanDerWaalsContact O-CG1 3.26Å; Y267-I271 WeakPolarHBondContact O-CG1 3.49Å; Y267-I271 PolarHBondContact O-N 3.43Å; Y267-F315 HydrophobicContact CE1-CE1 4.2Å; Y267-W316 AromaticContact CD1-CE3 3.92Å; Y267-W316 HydrophobicContact CD1-CE3 3.92Å; Y267-W316 AromaticContact CD1-CZ3 3.61Å; Y267-W316 HydrophobicContact CD1-CZ3 3.61Å; Y267-W316 AromaticContact CE1-CE3 3.76Å; Y267-W316 HydrophobicContact CE1-CE3 3.76Å; Y267-W316 AromaticContact CE1-CZ3 3.65Å; Y267-W316 HydrophobicContact CE1-CZ3 3.65Å; Y267-W316 HydrophobicContact CG-CZ3 4.33Å; Y267-S322 PolarHBondContact N-O 3Å; Y267-F324 HydrophobicContact CD2-CD2 4.22Å; Y267-V327 HydrophobicContact CD1-CG1 3.76Å; Y267-V327 HydrophobicContact CD1-CG2 4.2Å; Y267-V327 HydrophobicContact CD2-CG1 4.03Å; Y267-V327 HydrophobicContact CE1-CG1 3.82Å; Y267-V327 HydrophobicContact CE2-CG1 4.07Å; Y267-V327 HydrophobicContact CG-CB 4.38Å; Y267-V327 HydrophobicContact CG-CG1 3.88Å; Y267-V327 HydrophobicContact CG-CG2 4Å; Y267-H394 AromaticContact CE1-ND1 3.73Å; Y267-H394 AromaticContact CZ-ND1 3.85Å; Y267-H394 PolarHBondContact OH-ND1 3.35Å; Y267-V397 HydrophobicContact CE2-CG1 4.22Å
268Q97.1Very high95.2Very high2 Ų212.4 Ų12.41%0.0097%0.066CC..Hα-helixtrans-65.4-47.2-179.5176.3172.743.600113E147 T266 L270 I271 H272 F277 W316 K320 Y593E147-Q268 PolarHBondContact OE1-NE2 3.42Å; T266-Q268 PolarHBondContact O-N 3.42Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 3.24Å; Q268-I271 PolarHBondContact O-N 2.86Å; Q268-H272 PolarHBondContact O-N 3.49Å; Q268-H272 VanDerWaalsContact O-N 3.08Å; Q268-F277 HydrophobicContact CG-CE1 4.48Å; Q268-W316 HydrophobicContact CB-CH2 3.63Å; Q268-W316 HydrophobicContact CB-CZ2 3.98Å; Q268-W316 HydrophobicContact CB-CZ3 4.49Å; Q268-W316 HydrophobicContact CG-CH2 3.87Å; Q268-W316 HydrophobicContact CG-CZ2 3.85Å; Q268-K320 HydrophobicContact CB-CB 4.1Å; Q268-K320 WeakPolarHBondContact CB-O 3.41Å; Q268-K320 PolarHBondContact N-O 3.18Å; Q268-Y593 HydrophobicContact CG-CD1 3.65Å; Q268-Y593 HydrophobicContact CG-CD2 4.3Å; Q268-Y593 HydrophobicContact CG-CE1 3.8Å; Q268-Y593 HydrophobicContact CG-CE2 4.4Å; Q268-Y593 HydrophobicContact CG-CG 3.92Å
269A96.2Very high95.1Very high4 Ų413.5 Ų13.53%0.0337%0.071CC..Hα-helixtrans-66.5-36.8-179.500000110.7T264 T266 H272 D273 I594T264-A269 HydrophobicContact CG2-CB 3.53Å; T264-A269 WeakPolarHBondContact CG2-O 3.5Å; T264-A269 VanDerWaalsContact OG1-CB 3.32Å; T264-A269 WeakPolarHBondContact OG1-CB 3.34Å; T266-A269 PolarHBondContact O-N 3.45Å; T266-A269 WeakPolarHBondContact OG1-CB 3.4Å; A269-H272 WeakPolarHBondContact O-CB 3.21Å; A269-H272 PolarHBondContact O-N 2.85Å; A269-D273 WeakPolarHBondContact O-CB 3.44Å; A269-D273 PolarHBondContact O-N 3.35Å; A269-I594 HydrophobicContact CB-CG1 4.21Å
270L96.1Very high95.1Very high2 Ų213.6 Ų13.61%0.017%0.071CC..Hα-helixtrans-70.7-41.6-179.8-17859.9000111.7T264 T266 Y267 Q268 H272 D273 V274 F324 V401 I405T264-L270 HydrophobicContact CG2-CB 4.08Å; T264-L270 VanDerWaalsContact CG2-N 3.31Å; T264-L270 WeakPolarHBondContact O-CD1 3.19Å; T266-L270 WeakPolarHBondContact O-CB 3.39Å; T266-L270 PolarHBondContact O-N 3.04Å; Y267-L270 PolarHBondContact O-N 3.38Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 3.24Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 3.05Å; L270-D273 PolarHBondContact O-N 3.03Å; L270-V274 HydrophobicContact CD1-CG1 3.83Å; L270-V274 WeakPolarHBondContact O-CG2 3.44Å; L270-V274 PolarHBondContact O-N 2.92Å; L270-F324 HydrophobicContact CD2-CB 4.05Å; L270-F324 HydrophobicContact CD2-CD2 4.09Å; L270-F324 HydrophobicContact CD2-CG 3.98Å; L270-V401 HydrophobicContact CD2-CG1 3.34Å; L270-V401 HydrophobicContact CG-CG1 3.62Å; L270-I405 HydrophobicContact CD2-CD1 3.82Å; L270-I405 HydrophobicContact CD2-CG1 4.38Å
271I96.9Very high95Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-55-46.7170-73.6163.2000110.3Y267 Q268 D273 L275 F277 V282 L309 W316 V397 V401Y267-I271 HydrophobicContact CD1-CD1 4.33Å; Y267-I271 HydrophobicContact CD2-CD1 3.65Å; Y267-I271 HydrophobicContact CD2-CG1 4.09Å; Y267-I271 HydrophobicContact CE1-CD1 4.12Å; Y267-I271 HydrophobicContact CE2-CD1 3.42Å; Y267-I271 VanDerWaalsContact CE2-CD1 3.42Å; Y267-I271 HydrophobicContact CE2-CG1 3.99Å; Y267-I271 HydrophobicContact CG-CD1 4.11Å; Y267-I271 WeakPolarHBondContact O-CB 3.45Å; Y267-I271 WeakPolarHBondContact O-CD1 3.49Å; Y267-I271 VanDerWaalsContact O-CG1 3.26Å; Y267-I271 WeakPolarHBondContact O-CG1 3.49Å; Y267-I271 PolarHBondContact O-N 3.43Å; Q268-I271 PolarHBondContact O-N 2.86Å; I271-D273 VanDerWaalsContact C-N 3.29Å; I271-D273 PolarHBondContact O-N 3.43Å; I271-L275 HydrophobicContact CG2-CB 4.48Å; I271-L275 HydrophobicContact CG2-CD1 4.36Å; I271-L275 WeakPolarHBondContact O-CA 3.34Å; I271-L275 WeakPolarHBondContact O-CB 3.48Å; I271-L275 PolarHBondContact O-N 3.39Å; I271-F277 HydrophobicContact CG2-CB 3.89Å; I271-F277 HydrophobicContact CG2-CD1 4.19Å; I271-F277 HydrophobicContact CG2-CD2 4.15Å; I271-F277 HydrophobicContact CG2-CG 3.83Å; I271-V282 HydrophobicContact CG2-CG2 3.57Å; I271-L309 HydrophobicContact CD1-CD1 4.32Å; I271-W316 HydrophobicContact CD1-CH2 3.97Å; I271-W316 HydrophobicContact CD1-CZ3 3.64Å; I271-V397 HydrophobicContact CD1-CG1 3.59Å; I271-V397 HydrophobicContact CG1-CG1 3.75Å; I271-V401 HydrophobicContact CG1-CG2 3.91Å
272H96.6Very high94.8Very high11 Ų1118.6 Ų18.65%0.0519%0.089CC..Hα-helixtrans-64.2-32.8179.4-171.9-123.1000113.8Q268 A269 L270 F277 Y593 F619 N620Q268-H272 PolarHBondContact O-N 3.49Å; Q268-H272 VanDerWaalsContact O-N 3.08Å; A269-H272 WeakPolarHBondContact O-CB 3.21Å; A269-H272 PolarHBondContact O-N 2.85Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 3.05Å; H272-F277 HydrophobicContact CB-CD1 3.82Å; H272-F277 AromaticContact CD2-CD1 3.81Å; H272-F277 PolarHBondContact CD2-O 3.24Å; H272-Y593 HydrophobicContact CB-CD2 3.64Å; H272-Y593 HydrophobicContact CB-CE2 3.99Å; H272-Y593 AromaticContact CD2-CE2 3.88Å; H272-Y593 AromaticContact CG-CD2 3.57Å; H272-Y593 AromaticContact CG-CE2 3.76Å; H272-Y593 AromaticContact ND1-CD2 3.63Å; H272-F619 PolarHBondContact CE1-O 3.33Å; H272-F619 VanDerWaalsContact CE1-O 3.23Å; H272-N620 PolarHBondContact CE1-N 3.49Å; H272-N620 VanDerWaalsContact O-CB 3.28Å; H272-N620 WeakPolarHBondContact O-CB 3.24Å; H272-N620 PolarHBondContact O-ND2 2.81Å
273D96.4Very high94.7Very high20 Ų2019.6 Ų19.611%0.10710%0.098CC..Hα-helixtrans-77.3-39.3-178.7-163.445000112.6H263 T264 A269 L270 I271 R447 A621H263-D273 IonicContact CD2-OD2 3.33Å; T264-D273 HydrophobicContact CG2-CB 4.29Å; A269-D273 WeakPolarHBondContact O-CB 3.44Å; A269-D273 PolarHBondContact O-N 3.35Å; L270-D273 PolarHBondContact O-N 3.03Å; I271-D273 VanDerWaalsContact C-N 3.29Å; I271-D273 PolarHBondContact O-N 3.43Å; D273-R447 IonicContact OD1-CZ 3.5Å; D273-R447 IonicContact OD1-NH1 3.03Å; D273-R447 PolarHBondContact OD1-NH1 3.3Å; D273-R447 IonicContact OD1-NH2 3.32Å; D273-R447 PolarHBondContact OD1-NH2 2.94Å; D273-R447 IonicContact OD2-CZ 3.81Å; D273-R447 IonicContact OD2-NH1 2.63Å; D273-R447 PolarHBondContact OD2-NH1 3.49Å; D273-R447 IonicContact OD2-NH2 3.57Å; D273-R447 PolarHBondContact OD2-NH2 3.42Å; D273-A621 WeakPolarHBondContact OD1-CB 3.38Å
274V95.6Very high94.4Very high15 Ų1520.7 Ų20.79%0.09110%0.103CC..Hα-helixtrans-108.2-18.3-170.9-48.60000114.9L270 V401 H404 L410L270-V274 HydrophobicContact CD1-CG1 3.83Å; L270-V274 WeakPolarHBondContact O-CG2 3.44Å; L270-V274 PolarHBondContact O-N 2.92Å; V274-V401 HydrophobicContact CG2-CB 4.49Å; V274-V401 HydrophobicContact CG2-CG1 4.43Å; V274-V401 HydrophobicContact CG2-CG2 4.08Å; V274-H404 HydrophobicContact CB-CB 3.98Å; V274-H404 HydrophobicContact CG1-CB 4.4Å; V274-H404 HydrophobicContact CG2-CB 4.02Å; V274-L410 HydrophobicContact CG1-CD1 3.85Å
275L95.3Very high93.9Very high17 Ų1724 Ų249%0.08912%0.121CC..SBendtrans-116.3163.5179.5-55.3-178.3000111.8I271 F277 V282 M284 V397 A400 V401I271-L275 HydrophobicContact CG2-CB 4.48Å; I271-L275 HydrophobicContact CG2-CD1 4.36Å; I271-L275 WeakPolarHBondContact O-CA 3.34Å; I271-L275 WeakPolarHBondContact O-CB 3.48Å; I271-L275 PolarHBondContact O-N 3.39Å; L275-F277 PolarHBondContact O-N 2.74Å; L275-V282 HydrophobicContact CB-CG1 4.09Å; L275-V282 HydrophobicContact CD1-CG1 3.8Å; L275-M284 HydrophobicContact CD1-SD 4.02Å; L275-V397 HydrophobicContact CD1-CG1 4.19Å; L275-A400 HydrophobicContact CD1-CB 4.4Å; L275-A400 HydrophobicContact CD2-CB 4.14Å; L275-V401 HydrophobicContact CD1-CG2 3.81Å; L275-V401 HydrophobicContact CG-CG2 4.23Å
276D92.9Very high92.6Very high66 Ų6628.7 Ų28.735%0.35314%0.142SC..EExtended strand (participates in β ladder)trans-75.887.4172.6-177.18.2000109.7H278 V282 S283D276-H278 IonicContact OD1-CE1 3.9Å; D276-H278 PolarHBondContact OD1-CE1 3.01Å; D276-H278 IonicContact OD1-ND1 3.92Å; D276-H278 PolarHBondContact OD1-ND1 3.04Å; D276-V282 CarbonylContact O-C 3.54Å; D276-V282 WeakPolarHBondContact O-CA 3.18Å; D276-S283 PolarHBondContact O-N 2.84Å
277F94.4Very high90.5Very high4 Ų433.5 Ų33.52%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-115.7111.6-176.4-178.5-128000111.6Q268 I271 H272 L275 N280 R281 V282 L309 W316 Y593Q268-F277 HydrophobicContact CG-CE1 4.48Å; I271-F277 HydrophobicContact CG2-CB 3.89Å; I271-F277 HydrophobicContact CG2-CD1 4.19Å; I271-F277 HydrophobicContact CG2-CD2 4.15Å; I271-F277 HydrophobicContact CG2-CG 3.83Å; H272-F277 HydrophobicContact CB-CD1 3.82Å; H272-F277 AromaticContact CD2-CD1 3.81Å; H272-F277 PolarHBondContact CD2-O 3.24Å; L275-F277 PolarHBondContact O-N 2.74Å; F277-N280 VanDerWaalsContact CE2-C 3.48Å; F277-N280 VanDerWaalsContact CE2-CA 3.42Å; F277-R281 WeakPolarHBondContact CA-O 3.37Å; F277-V282 HydrophobicContact CB-CG2 4.39Å; F277-V282 HydrophobicContact CD2-CB 4.44Å; F277-V282 HydrophobicContact CD2-CG2 3.42Å; F277-V282 VanDerWaalsContact CD2-CG2 3.42Å; F277-V282 HydrophobicContact CE2-CG2 3.99Å; F277-V282 HydrophobicContact CG-CG2 4.2Å; F277-L309 HydrophobicContact CD2-CD1 4.42Å; F277-L309 HydrophobicContact CE2-CD1 3.73Å; F277-L309 HydrophobicContact CZ-CD1 4.23Å; F277-W316 HydrophobicContact CZ-CZ2 4.38Å; F277-Y593 HydrophobicContact CD1-CE2 4.05Å; F277-Y593 AromaticContact CE1-CE2 3.68Å; F277-Y593 HydrophobicContact CE1-CE2 3.68Å; F277-Y593 AromaticContact CE1-CZ 3.82Å
278H92.4Very high87.8Confident65 Ų6538.8 Ų38.830%0.30121%0.209SC..EExtended strand (participates in β ladder)trans-139.8135.2-178.7-64.791.9000110D276 N280 R281 Q623D276-H278 IonicContact OD1-CE1 3.9Å; D276-H278 PolarHBondContact OD1-CE1 3.01Å; D276-H278 IonicContact OD1-ND1 3.92Å; D276-H278 PolarHBondContact OD1-ND1 3.04Å; H278-N280 VanDerWaalsContact C-N 3.28Å; H278-N280 PolarHBondContact O-N 2.6Å; H278-R281 PolarHBondContact N-O 3.22Å; H278-R281 WeakPolarHBondContact O-CA 3.36Å; H278-R281 WeakPolarHBondContact O-CB 3.49Å; H278-R281 PolarHBondContact O-N 2.8Å; H278-Q623 PolarHBondContact NE2-NE2 3.44Å
279L93.4Very high85.1Confident30 Ų3041.4 Ų41.416%0.15724%0.236CC..THydrogen-bonded Turntrans50.945.5177-57.8-178.6000113.4D44 P48 I144 L146 I152 N155 R281D44-L279 HydrophobicContact CB-CD1 3.81Å; D44-L279 WeakPolarHBondContact OD1-CD1 3.38Å; P48-L279 HydrophobicContact CG-CB 4.32Å; P48-L279 HydrophobicContact CG-CD2 4.49Å; I144-L279 HydrophobicContact CD1-CD2 4.1Å; I144-L279 HydrophobicContact CG2-CD2 4.06Å; L146-L279 HydrophobicContact CD2-CD2 4.09Å; I152-L279 HydrophobicContact CD1-CD2 4.45Å; N155-L279 HydrophobicContact CB-CD1 4.49Å; N155-L279 HydrophobicContact CB-CD2 4.06Å; L279-R281 PolarHBondContact O-N 3.44Å
280N94.3Very high82.1Confident8 Ų847.4 Ų47.44%0.04328%0.278CS..THydrogen-bonded Turntrans61.222-176.6-64.7-20.4000114.8L146 F277 H278 L309L146-N280 PolarHBondContact O-ND2 3.34Å; F277-N280 VanDerWaalsContact CE2-C 3.48Å; F277-N280 VanDerWaalsContact CE2-CA 3.42Å; H278-N280 VanDerWaalsContact C-N 3.28Å; H278-N280 PolarHBondContact O-N 2.6Å; N280-L309 WeakPolarHBondContact CB-O 3.37Å; N280-L309 PolarHBondContact O-N 3.03Å
281R93.9Very high79.2Confident111 Ų11155.7 Ų55.742%0.41932%0.317SS..EExtended strand (participates in β ladder)trans-120.7123.9175.8177.2174.4-68.4176.7-0.9111F277 H278 L279 Y307 D308F277-R281 WeakPolarHBondContact CA-O 3.37Å; H278-R281 PolarHBondContact N-O 3.22Å; H278-R281 WeakPolarHBondContact O-CA 3.36Å; H278-R281 WeakPolarHBondContact O-CB 3.49Å; H278-R281 PolarHBondContact O-N 2.8Å; L279-R281 PolarHBondContact O-N 3.44Å; R281-Y307 CarbonylContact C-O 3.46Å; R281-Y307 WeakPolarHBondContact CA-O 3.41Å; R281-D308 IonicContact CZ-OD1 2.55Å; R281-D308 VanDerWaalsContact CZ-OD1 3.29Å; R281-D308 IonicContact NE-OD1 3.28Å; R281-D308 PolarHBondContact NE-OD1 2.73Å; R281-D308 IonicContact NH2-OD1 3.74Å; R281-D308 PolarHBondContact NH2-OD1 2.94Å; R281-D308 IonicContact NH2-OD2 3.66Å; R281-D308 PolarHBondContact NH2-OD2 3.39Å
282V94.3Very high76.2Confident0 Ų060.5 Ų60.50%036%0.356CS..EExtended strand (participates in β ladder)trans-94.7128.4172.7-177.10000108.8I271 L275 D276 F277 M284 S306 Y307 L309I271-V282 HydrophobicContact CG2-CG2 3.57Å; L275-V282 HydrophobicContact CB-CG1 4.09Å; L275-V282 HydrophobicContact CD1-CG1 3.8Å; D276-V282 CarbonylContact O-C 3.54Å; D276-V282 WeakPolarHBondContact O-CA 3.18Å; F277-V282 HydrophobicContact CB-CG2 4.39Å; F277-V282 HydrophobicContact CD2-CB 4.44Å; F277-V282 HydrophobicContact CD2-CG2 3.42Å; F277-V282 VanDerWaalsContact CD2-CG2 3.42Å; F277-V282 HydrophobicContact CE2-CG2 3.99Å; F277-V282 HydrophobicContact CG-CG2 4.2Å; V282-M284 HydrophobicContact CG1-CE 4.46Å; V282-M284 HydrophobicContact CG1-CG 3.93Å; V282-M284 HydrophobicContact CG1-SD 4.29Å; V282-S306 CarbonylContact O-C 3.4Å; V282-S306 VanDerWaalsContact O-CA 3.26Å; V282-S306 WeakPolarHBondContact O-CA 3.27Å; V282-Y307 PolarHBondContact N-O 2.6Å; V282-Y307 PolarHBondContact O-N 2.8Å; V282-L309 HydrophobicContact CG2-CD1 3.63Å; V282-L309 HydrophobicContact CG2-CG 4.44Å
283S92.4Very high73.5Confident32 Ų3263.5 Ų63.522%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-109.1125.9172.8-59.60000109.8D276D276-S283 PolarHBondContact O-N 2.84Å
284M88.1Confident71Confident24 Ų2468 Ų6812%0.11841%0.409CS..EExtended strand (participates in β ladder)trans-124.8138.2178.5-65.4-176-72.300110.2L275 V282 E286 K304 K305 Y307 N396 V397 A400L275-M284 HydrophobicContact CD1-SD 4.02Å; V282-M284 HydrophobicContact CG1-CE 4.46Å; V282-M284 HydrophobicContact CG1-CG 3.93Å; V282-M284 HydrophobicContact CG1-SD 4.29Å; M284-E286 PolarHBondContact O-N 3.02Å; M284-K304 CarbonylContact O-C 3.54Å; M284-K304 WeakPolarHBondContact O-CA 3.35Å; M284-K305 PolarHBondContact N-O 2.68Å; M284-K305 PolarHBondContact O-N 3.48Å; M284-Y307 HydrophobicContact CE-CD2 3.37Å; M284-Y307 HydrophobicContact CE-CE2 3.17Å; M284-Y307 HydrophobicContact CE-CG 4.44Å; M284-N396 HydrophobicContact CE-CB 4.38Å; M284-V397 HydrophobicContact CE-CB 4.47Å; M284-V397 HydrophobicContact CE-CG2 3.69Å; M284-A400 HydrophobicContact SD-CB 3.49Å; M284-A400 WeakPolarHBondContact SD-CB 3.24Å
285D81.1Confident68.6Low79 Ų7973.4 Ų73.442%0.42245%0.448SS..EExtended strand (participates in β ladder)trans-70126.9169.9-83.23.3000108.2S287 K302 K304D285-S287 PolarHBondContact O-N 3.49Å; D285-S287 VanDerWaalsContact O-N 3.16Å; D285-K302 IonicContact OD2-NZ 3.52Å; D285-K302 PolarHBondContact OD2-NZ 2.67Å; D285-K304 WeakPolarHBondContact OD1-CE 3.17Å; D285-K304 WeakPolarHBondContact OD1-CG 3.48Å
286E65.6Low66.4Low99 Ų9976.6 Ų76.646%0.46349%0.485SS..  trans-68.8112.5171.3-167.8169.3-142.300108.5M284 V288 N303M284-E286 PolarHBondContact O-N 3.02Å; E286-V288 PolarHBondContact O-N 3.37Å; E286-N303 VanDerWaalsContact CB-O 3.24Å; E286-N303 WeakPolarHBondContact CB-O 3.47Å; E286-N303 PolarHBondContact N-O 3.49Å
287S50.8Low64.3Low115 Ų11577.1 Ų77.180%0.80450%0.498SS*.  trans-68.589.9163.748.90000107.1D285 G289D285-S287 PolarHBondContact O-N 3.49Å; D285-S287 VanDerWaalsContact O-N 3.16Å; S287-G289 PolarHBondContact O-N 2.95Å
288V40Very low62.1Low110 Ų11087.8 Ų87.867%0.66754%0.538SS*.  trans-56.8113.9167.7-171.20000105.6E286 S290E286-V288 PolarHBondContact O-N 3.37Å; V288-S290 PolarHBondContact O-N 2.78Å
289G41.1Very low59.7Low57 Ų5790.9 Ų90.959%0.58856%0.564SS**  trans-43.9139170.100000109S287 E291S287-G289 PolarHBondContact O-N 2.95Å; G289-E291 PolarHBondContact O-N 3.41Å
290S32.6Very low57.5Low131 Ų13197.8 Ų97.892%0.91659%0.593SS**  trans-64.169.2-172.9-45.70000112.3V288V288-S290 PolarHBondContact O-N 2.78Å
291E34.8Very low55.4Low175 Ų175106.5 Ų106.582%0.81863%0.63SS**  trans-94107.5159.8-70.5-164171.400107.1G289 S293G289-E291 PolarHBondContact O-N 3.41Å; E291-S293 PolarHBondContact O-N 2.86Å
292A34.2Very low53.5Low101 Ų101108.4 Ų108.484%0.83564%0.642SS**  trans-52.7105.1172.600000108.7
293S40.5Very low51.9Low74 Ų74113.6 Ų113.652%0.51767%0.669SS.*PPolyproline II helixtrans-62.6133168.9-66.70000107.8E291 S295E291-S293 PolarHBondContact O-N 2.86Å; S293-S295 PolarHBondContact O-N 3.17Å
294P44.1Very low51.2Low115 Ų115118.4 Ų118.475%0.74769%0.686SS**PPolyproline II helixtrans-57.7138.7179.820.3-29.5000110.3G296P294-G296 PolarHBondContact O-N 3.15Å
295S44.3Very low51.2Low129 Ų129122 Ų12290%0.90270%0.701SS**THydrogen-bonded Turntrans-50.7116.8-175.652.80000111.8S293S293-S295 PolarHBondContact O-N 3.17Å
296G49.4Very low51.6Low84 Ų84121.3 Ų121.387%0.86670%0.703SS**THydrogen-bonded Turntrans133.7-6.3171.600000116.7P294P294-G296 PolarHBondContact O-N 3.15Å
297A49.4Very low52.9Low77 Ų77117.8 Ų117.864%0.63669%0.685SS**  trans-84.5137.2177.800000112.4
298R46.8Very low54.8Low228 Ų228115.5 Ų115.586%0.8666%0.664SS**  trans-46.6144.8171.1-74.1177.8-179.5172.2-0.1110.5K300R298-K300 PolarHBondContact O-N 2.98Å
299P41.8Very low57.3Low130 Ų130110.3 Ų110.384%0.84463%0.633SS**  trans-54.9114.9178.321.8-31.2000109.3K301P299-K301 PolarHBondContact O-N 2.93Å
300K49.1Very low59.4Low174 Ų174110.4 Ų110.476%0.75762%0.622SS**  trans-58.2124.8172.7-82-178176.6174.90107R298 K302R298-K300 PolarHBondContact O-N 2.98Å; K300-K302 PolarHBondContact O-N 3.26Å; K300-K302 VanDerWaalsContact O-N 3.11Å
301K48.3Very low62Low191 Ų191106.3 Ų106.383%0.8360%0.596SS**  trans-50.5119.7168.7-139.1177-175.2-178.70106.1P299 N303P299-K301 PolarHBondContact O-N 2.93Å; K301-N303 PolarHBondContact O-N 2.82Å
302K55.1Low64.4Low152 Ų152102 Ų10266%0.66159%0.59SS**  trans-52.4114.6173-78.6-178.8165.5-167.30107.2D285 K300 K304D285-K302 IonicContact OD2-NZ 3.52Å; D285-K302 PolarHBondContact OD2-NZ 2.67Å; K300-K302 PolarHBondContact O-N 3.26Å; K300-K302 VanDerWaalsContact O-N 3.11Å; K302-K304 PolarHBondContact O-N 2.55Å; K302-K304 VanDerWaalsContact O-N 3.13Å
303N60.8Low67.1Low109 Ų10997.2 Ų97.258%0.58355%0.551SS**  trans-70.1110.7173.6-83-12.9000106.7E286 K301E286-N303 VanDerWaalsContact CB-O 3.24Å; E286-N303 WeakPolarHBondContact CB-O 3.47Å; E286-N303 PolarHBondContact N-O 3.49Å; K301-N303 PolarHBondContact O-N 2.82Å
304K77.8Confident69.6Low132 Ų132102.3 Ų102.357%0.57456%0.563SS**EExtended strand (participates in β ladder)trans-81.4123.7169.5-74.1-170.6171.4-165.40107.9M284 D285 K302M284-K304 CarbonylContact O-C 3.54Å; M284-K304 WeakPolarHBondContact O-CA 3.35Å; D285-K304 WeakPolarHBondContact OD1-CE 3.17Å; D285-K304 WeakPolarHBondContact OD1-CG 3.48Å; K302-K304 PolarHBondContact O-N 2.55Å; K302-K304 VanDerWaalsContact O-N 3.13Å
305K87Confident72Confident100 Ų10097.1 Ų97.144%0.43553%0.529SS..EExtended strand (participates in β ladder)trans-94.7126.5173.1-166.1168.6175.6-163.60108.5M284 Y307M284-K305 PolarHBondContact N-O 2.68Å; M284-K305 PolarHBondContact O-N 3.48Å; K305-Y307 HydrophobicContact CB-CE2 4.17Å; K305-Y307 HydrophobicContact CD-CE1 4.41Å; K305-Y307 HydrophobicContact CD-CE2 4Å; K305-Y307 WeakPolarHBondContact CD-OH 3.04Å; K305-Y307 VanDerWaalsContact CE-CZ 3.46Å; K305-Y307 WeakPolarHBondContact CE-OH 3.28Å; K305-Y307 HydrophobicContact CG-CE2 3.74Å; K305-Y307 PolarHBondContact NZ-OH 3.37Å
306S90Very high74.4Confident65 Ų6591 Ų9146%0.45549%0.486SS..EExtended strand (participates in β ladder)trans-108.1140179.158.70000111.3V282V282-S306 CarbonylContact O-C 3.4Å; V282-S306 VanDerWaalsContact O-CA 3.26Å; V282-S306 WeakPolarHBondContact O-CA 3.27Å
307Y92.1Very high76.5Confident24 Ų2489.9 Ų89.99%0.09446%0.459CS..EExtended strand (participates in β ladder)trans-125.8128.7178.8-62.4-88.6000110R281 V282 M284 K305 L393 N396R281-Y307 CarbonylContact C-O 3.46Å; R281-Y307 WeakPolarHBondContact CA-O 3.41Å; V282-Y307 PolarHBondContact N-O 2.6Å; V282-Y307 PolarHBondContact O-N 2.8Å; M284-Y307 HydrophobicContact CE-CD2 3.37Å; M284-Y307 HydrophobicContact CE-CE2 3.17Å; M284-Y307 HydrophobicContact CE-CG 4.44Å; K305-Y307 HydrophobicContact CB-CE2 4.17Å; K305-Y307 HydrophobicContact CD-CE1 4.41Å; K305-Y307 HydrophobicContact CD-CE2 4Å; K305-Y307 WeakPolarHBondContact CD-OH 3.04Å; K305-Y307 VanDerWaalsContact CE-CZ 3.46Å; K305-Y307 WeakPolarHBondContact CE-OH 3.28Å; K305-Y307 HydrophobicContact CG-CE2 3.74Å; K305-Y307 PolarHBondContact NZ-OH 3.37Å; Y307-L393 HydrophobicContact CD1-CB 3.92Å; Y307-L393 HydrophobicContact CD1-CD1 3.91Å; Y307-L393 HydrophobicContact CD1-CG 3.54Å; Y307-L393 HydrophobicContact CE1-CB 4.33Å; Y307-L393 HydrophobicContact CE1-CG 4.38Å; Y307-L393 HydrophobicContact CG-CD1 4.37Å; Y307-L393 HydrophobicContact CG-CG 4.04Å; Y307-N396 PolarHBondContact OH-ND2 2.75Å; Y307-N396 VanDerWaalsContact OH-ND2 3.13Å
308D91.4Very high78.7Confident68 Ų6892.9 Ų92.936%0.36446%0.457SS..EExtended strand (participates in β ladder)trans-95.4120.6179-67.3-32.1000110.4R281 T310R281-D308 IonicContact CZ-OD1 2.55Å; R281-D308 VanDerWaalsContact CZ-OD1 3.29Å; R281-D308 IonicContact NE-OD1 3.28Å; R281-D308 PolarHBondContact NE-OD1 2.73Å; R281-D308 IonicContact NH2-OD1 3.74Å; R281-D308 PolarHBondContact NH2-OD1 2.94Å; R281-D308 IonicContact NH2-OD2 3.66Å; R281-D308 PolarHBondContact NH2-OD2 3.39Å; D308-T310 HydrophobicContact CB-CG2 4.05Å
309L92.3Very high81.1Confident1 Ų182.5 Ų82.51%0.00542%0.418CS..  trans-97.888.1178.9-68.2171.4000109.7I271 F277 N280 V282 W316 L393I271-L309 HydrophobicContact CD1-CD1 4.32Å; F277-L309 HydrophobicContact CD2-CD1 4.42Å; F277-L309 HydrophobicContact CE2-CD1 3.73Å; F277-L309 HydrophobicContact CZ-CD1 4.23Å; N280-L309 WeakPolarHBondContact CB-O 3.37Å; N280-L309 PolarHBondContact O-N 3.03Å; V282-L309 HydrophobicContact CG2-CD1 3.63Å; V282-L309 HydrophobicContact CG2-CG 4.44Å; L309-W316 HydrophobicContact CB-CD2 4.1Å; L309-W316 HydrophobicContact CB-CG 4.33Å; L309-W316 HydrophobicContact CB-CZ2 4.29Å; L309-W316 HydrophobicContact CD1-CD2 4.38Å; L309-W316 HydrophobicContact CD1-CE3 4.13Å; L309-W316 HydrophobicContact CD1-CH2 3.66Å; L309-W316 HydrophobicContact CD1-CZ2 3.97Å; L309-W316 HydrophobicContact CD1-CZ3 3.77Å; L309-W316 HydrophobicContact CD2-CD2 3.99Å; L309-W316 HydrophobicContact CD2-CE3 3.81Å; L309-W316 HydrophobicContact CD2-CG 4.36Å; L309-W316 HydrophobicContact CD2-CZ3 4.24Å; L309-W316 HydrophobicContact CG-CD2 4.4Å; L309-W316 HydrophobicContact CG-CE3 4.43Å; L309-L393 HydrophobicContact CD2-CD2 3.64Å
310T86.4Confident83.6Confident58 Ų5877.4 Ų77.436%0.35638%0.383SS..  trans-97.8169.9-167.471.80000113.7D308 A312 D313D308-T310 HydrophobicContact CB-CG2 4.05Å; T310-A312 PolarHBondContact O-N 3.43Å; T310-A312 PolarHBondContact OG1-N 3.4Å; T310-D313 WeakPolarHBondContact O-CB 3.17Å; T310-D313 PolarHBondContact O-N 2.94Å
311A85.4Confident85.7Confident46 Ų4669.9 Ų69.938%0.3835%0.354SS..THydrogen-bonded Turntrans-66.2-23.5171.700000113.9D313A311-D313 PolarHBondContact O-N 3Å
312A86.1Confident87.9Confident84 Ų8461.7 Ų61.769%0.69432%0.322SS*.THydrogen-bonded Turntrans-75.1-17.5178.300000112.6T310 K314T310-A312 PolarHBondContact O-N 3.43Å; T310-A312 PolarHBondContact OG1-N 3.4Å; A312-K314 PolarHBondContact O-N 2.8Å
313D91.8Very high89.8Confident1 Ų155.9 Ų55.91%0.00530%0.299CS..  trans-76.2104.2178.5-174-21.1000110.6T310 A311 F315 W316 Q317 L390 H394T310-D313 WeakPolarHBondContact O-CB 3.17Å; T310-D313 PolarHBondContact O-N 2.94Å; A311-D313 PolarHBondContact O-N 3Å; D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 3.04Å; D313-F315 PolarHBondContact OD1-N 3.44Å; D313-W316 HydrophobicContact CB-CB 3.77Å; D313-W316 VanDerWaalsContact CG-CB 3.46Å; D313-W316 PolarHBondContact O-N 2.88Å; D313-W316 PolarHBondContact OD1-N 2.86Å; D313-Q317 WeakPolarHBondContact O-CG 3.31Å; D313-Q317 PolarHBondContact O-N 3.41Å; D313-L390 HydrophobicContact CB-CD2 4.39Å; D313-H394 IonicContact OD1-NE2 3.48Å; D313-H394 PolarHBondContact OD1-NE2 3.17Å; D313-H394 IonicContact OD2-CD2 3.66Å; D313-H394 IonicContact OD2-CE1 2.91Å; D313-H394 IonicContact OD2-NE2 3.38Å; D313-H394 PolarHBondContact OD2-NE2 2.93Å
314K91.8Very high91.3Very high180 Ų18051 Ų5178%0.78327%0.273SS*.Hα-helixtrans-66.7-34.7-177.9-66-179.4-179.1174.60112.6A312 K318A312-K314 PolarHBondContact O-N 2.8Å; K314-K318 WeakPolarHBondContact O-CB 3.41Å; K314-K318 PolarHBondContact O-N 3.44Å; K314-K318 VanDerWaalsContact O-N 3.17Å
315F94.6Very high91.8Very high6 Ų645.5 Ų45.53%0.02625%0.251CS..Hα-helixtrans-66.9-49.6178.2-177.9-85.3000109.2Y267 D313 Q317 K318 H319 V327 V331 E334 H394Y267-F315 HydrophobicContact CE1-CE1 4.2Å; D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 3.04Å; D313-F315 PolarHBondContact OD1-N 3.44Å; F315-Q317 PolarHBondContact O-N 3.18Å; F315-K318 PolarHBondContact O-N 2.99Å; F315-H319 HydrophobicContact CD1-CB 4.47Å; F315-H319 AromaticContact CD2-CD2 3.83Å; F315-H319 HydrophobicContact CE1-CB 4.08Å; F315-H319 AromaticContact CE2-CD2 3.62Å; F315-H319 HydrophobicContact CZ-CB 4.25Å; F315-H319 AromaticContact CZ-CD2 3.86Å; F315-H319 WeakPolarHBondContact O-CB 3.27Å; F315-H319 PolarHBondContact O-N 2.87Å; F315-V327 HydrophobicContact CE1-CG1 3.9Å; F315-V327 HydrophobicContact CZ-CG1 3.9Å; F315-V331 HydrophobicContact CE1-CG2 3.87Å; F315-V331 HydrophobicContact CE2-CG2 4.05Å; F315-V331 HydrophobicContact CZ-CB 4.38Å; F315-V331 HydrophobicContact CZ-CG2 3.34Å; F315-E334 VanDerWaalsContact CD2-CD 3.47Å; F315-E334 HydrophobicContact CD2-CG 4.34Å; F315-E334 WeakPolarHBondContact CD2-OE1 3.36Å; F315-H394 HydrophobicContact CD1-CB 4.1Å; F315-H394 AromaticContact CD1-CD2 3.25Å; F315-H394 WeakPolarHBondContact CD1-CD2 3.46Å; F315-H394 AromaticContact CD1-CE1 3.62Å; F315-H394 AromaticContact CD1-CG 3.38Å; F315-H394 AromaticContact CD1-ND1 3.61Å; F315-H394 AromaticContact CD1-NE2 3.39Å; F315-H394 WeakPolarHBondContact CD1-NE2 3.38Å; F315-H394 HydrophobicContact CE1-CB 4.05Å; F315-H394 AromaticContact CE1-CG 3.73Å; F315-H394 AromaticContact CE1-ND1 3.89Å; F315-H394 AromaticContact CG-CD2 3.69Å; F315-H394 AromaticContact CG-NE2 3.96Å
316W95.4Very high92.1Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-55.5-51.6175.9-179.7-116.4000112.3Y267 Q268 I271 F277 L309 D313 K318 H319 K320Y267-W316 AromaticContact CD1-CE3 3.92Å; Y267-W316 HydrophobicContact CD1-CE3 3.92Å; Y267-W316 AromaticContact CD1-CZ3 3.61Å; Y267-W316 HydrophobicContact CD1-CZ3 3.61Å; Y267-W316 AromaticContact CE1-CE3 3.76Å; Y267-W316 HydrophobicContact CE1-CE3 3.76Å; Y267-W316 AromaticContact CE1-CZ3 3.65Å; Y267-W316 HydrophobicContact CE1-CZ3 3.65Å; Y267-W316 HydrophobicContact CG-CZ3 4.33Å; Q268-W316 HydrophobicContact CB-CH2 3.63Å; Q268-W316 HydrophobicContact CB-CZ2 3.98Å; Q268-W316 HydrophobicContact CB-CZ3 4.49Å; Q268-W316 HydrophobicContact CG-CH2 3.87Å; Q268-W316 HydrophobicContact CG-CZ2 3.85Å; I271-W316 HydrophobicContact CD1-CH2 3.97Å; I271-W316 HydrophobicContact CD1-CZ3 3.64Å; F277-W316 HydrophobicContact CZ-CZ2 4.38Å; L309-W316 HydrophobicContact CB-CD2 4.1Å; L309-W316 HydrophobicContact CB-CG 4.33Å; L309-W316 HydrophobicContact CB-CZ2 4.29Å; L309-W316 HydrophobicContact CD1-CD2 4.38Å; L309-W316 HydrophobicContact CD1-CE3 4.13Å; L309-W316 HydrophobicContact CD1-CH2 3.66Å; L309-W316 HydrophobicContact CD1-CZ2 3.97Å; L309-W316 HydrophobicContact CD1-CZ3 3.77Å; L309-W316 HydrophobicContact CD2-CD2 3.99Å; L309-W316 HydrophobicContact CD2-CE3 3.81Å; L309-W316 HydrophobicContact CD2-CG 4.36Å; L309-W316 HydrophobicContact CD2-CZ3 4.24Å; L309-W316 HydrophobicContact CG-CD2 4.4Å; L309-W316 HydrophobicContact CG-CE3 4.43Å; D313-W316 HydrophobicContact CB-CB 3.77Å; D313-W316 VanDerWaalsContact CG-CB 3.46Å; D313-W316 PolarHBondContact O-N 2.88Å; D313-W316 PolarHBondContact OD1-N 2.86Å; W316-K318 PolarHBondContact O-N 3.13Å; W316-H319 PolarHBondContact O-N 3.15Å; W316-K320 HydrophobicContact CD2-CB 3.83Å; W316-K320 HydrophobicContact CE3-CB 4Å; W316-K320 HydrophobicContact CG-CB 4.47Å; W316-K320 HydrophobicContact CH2-CB 4.1Å; W316-K320 HydrophobicContact CZ2-CB 3.88Å; W316-K320 HydrophobicContact CZ3-CB 4.13Å; W316-K320 WeakPolarHBondContact O-CB 3.45Å; W316-K320 WeakPolarHBondContact O-CG 3.26Å; W316-K320 PolarHBondContact O-N 3.43Å
317Q94.1Very high92.2Very high62 Ų6242.3 Ų42.329%0.2923%0.23SC..Hα-helixtrans-60.7-33.1-178.8-70.5-52.5-46.200113.3D313 F315D313-Q317 WeakPolarHBondContact O-CG 3.31Å; D313-Q317 PolarHBondContact O-N 3.41Å; F315-Q317 PolarHBondContact O-N 3.18Å
318K94.9Very high92.1Very high139 Ų13942.6 Ų42.660%0.60424%0.237SC*.Hα-helixtrans-75.6-40.7177.9-175-178.7169.9-144.50112.5K314 F315 W316K314-K318 WeakPolarHBondContact O-CB 3.41Å; K314-K318 PolarHBondContact O-N 3.44Å; K314-K318 VanDerWaalsContact O-N 3.17Å; F315-K318 PolarHBondContact O-N 2.99Å; W316-K318 PolarHBondContact O-N 3.13Å
319H95.9Very high92.1Very high10 Ų1043.6 Ų43.65%0.04624%0.24CC..Hα-helixtrans-112.6-5.2-165.6-70.9-70.7000115.5F315 W316 G321 S322 V327 S330F315-H319 HydrophobicContact CD1-CB 4.47Å; F315-H319 AromaticContact CD2-CD2 3.83Å; F315-H319 HydrophobicContact CE1-CB 4.08Å; F315-H319 AromaticContact CE2-CD2 3.62Å; F315-H319 HydrophobicContact CZ-CB 4.25Å; F315-H319 AromaticContact CZ-CD2 3.86Å; F315-H319 WeakPolarHBondContact O-CB 3.27Å; F315-H319 PolarHBondContact O-N 2.87Å; W316-H319 PolarHBondContact O-N 3.15Å; H319-G321 PolarHBondContact O-N 3.05Å; H319-G321 VanDerWaalsContact O-N 3.14Å; H319-S322 WeakPolarHBondContact O-CB 3.2Å; H319-S322 PolarHBondContact O-N 3.38Å; H319-V327 HydrophobicContact CB-CG2 3.98Å; H319-S330 PolarHBondContact CE1-OG 3.42Å
320K95.3Very high92.1Very high24 Ų2444.4 Ų44.410%0.10425%0.245CC..THydrogen-bonded Turntrans-53.4-36.7179.865.8-174.2-172.5-169.40113.6E147 Q268 W316E147-K320 IonicContact OE1-NZ 3.95Å; E147-K320 IonicContact OE2-NZ 3.67Å; E147-K320 PolarHBondContact OE2-NZ 3.23Å; Q268-K320 HydrophobicContact CB-CB 4.1Å; Q268-K320 WeakPolarHBondContact CB-O 3.41Å; Q268-K320 PolarHBondContact N-O 3.18Å; W316-K320 HydrophobicContact CD2-CB 3.83Å; W316-K320 HydrophobicContact CE3-CB 4Å; W316-K320 HydrophobicContact CG-CB 4.47Å; W316-K320 HydrophobicContact CH2-CB 4.1Å; W316-K320 HydrophobicContact CZ2-CB 3.88Å; W316-K320 HydrophobicContact CZ3-CB 4.13Å; W316-K320 WeakPolarHBondContact O-CB 3.45Å; W316-K320 WeakPolarHBondContact O-CG 3.26Å; W316-K320 PolarHBondContact O-N 3.43Å
321G94.1Very high92.4Very high15 Ų1542.2 Ų42.216%0.15523%0.232CC..THydrogen-bonded Turntrans-95-2.5177.600000115H319 Q597H319-G321 PolarHBondContact O-N 3.05Å; H319-G321 VanDerWaalsContact O-N 3.14Å; G321-Q597 VanDerWaalsContact CA-CD 3.46Å
322S94.6Very high92.5Very high20 Ų2044.3 Ų44.314%0.1423%0.234CC..SBendtrans-75.3150.1-178.7-720000111.3T266 Y267 H319T266-S322 WeakPolarHBondContact CA-O 3.45Å; Y267-S322 PolarHBondContact N-O 3Å; H319-S322 WeakPolarHBondContact O-CB 3.2Å; H319-S322 PolarHBondContact O-N 3.38Å
323P93.3Very high92.8Very high30 Ų3046.3 Ų46.320%0.19523%0.229CC..BIsolated β-bridgetrans-53.7138.8166.7-17.325.6000111.2W265 P325 E326 V327 L532W265-P323 CarbonylContact O-C 3.46Å; W265-P323 WeakPolarHBondContact O-CA 3.42Å; P323-P325 VanDerWaalsContact C-N 3.34Å; P323-E326 HydrophobicContact CB-CG 4.41Å; P323-E326 WeakPolarHBondContact CD-OE2 3.19Å; P323-E326 HydrophobicContact CG-CG 4.36Å; P323-E326 WeakPolarHBondContact O-CB 3.46Å; P323-E326 PolarHBondContact O-N 2.9Å; P323-V327 PolarHBondContact O-N 3.49Å; P323-L532 HydrophobicContact CB-CD1 4.19Å; P323-L532 HydrophobicContact CG-CD1 4.06Å
324F92.2Very high92.8Very high5 Ų549.2 Ų49.22%0.02224%0.242CC..Hα-helixtrans-53.1-39.1-178.6-176.5-107.2000114.9W265 Y267 L270 E326 V327 A328 A398 V401 L402 I405W265-F324 PolarHBondContact O-N 2.7Å; Y267-F324 HydrophobicContact CD2-CD2 4.22Å; L270-F324 HydrophobicContact CD2-CB 4.05Å; L270-F324 HydrophobicContact CD2-CD2 4.09Å; L270-F324 HydrophobicContact CD2-CG 3.98Å; F324-E326 VanDerWaalsContact C-N 3.31Å; F324-E326 PolarHBondContact O-N 2.74Å; F324-V327 PolarHBondContact O-N 3.18Å; F324-V327 VanDerWaalsContact O-N 3.15Å; F324-A328 PolarHBondContact O-N 3.04Å; F324-A398 HydrophobicContact CE2-CB 4.33Å; F324-V401 HydrophobicContact CD2-CG1 3.98Å; F324-V401 HydrophobicContact CE1-CG1 4.47Å; F324-V401 HydrophobicContact CE2-CB 3.94Å; F324-V401 HydrophobicContact CE2-CG1 3.53Å; F324-V401 HydrophobicContact CZ-CB 4.19Å; F324-V401 HydrophobicContact CZ-CG1 3.82Å; F324-L402 HydrophobicContact CE1-CB 4.32Å; F324-L402 HydrophobicContact CE1-CD1 4.06Å; F324-L402 HydrophobicContact CZ-CB 4.09Å; F324-I405 HydrophobicContact CD1-CD1 3.53Å; F324-I405 HydrophobicContact CE1-CD1 3.49Å; F324-I405 VanDerWaalsContact CE1-CD1 3.49Å; F324-I405 HydrophobicContact CG-CD1 4.26Å; F324-I405 HydrophobicContact CZ-CD1 4.21Å
325P90.1Very high92.6Very high17 Ų1742 Ų4211%0.1121%0.212CC..Hα-helixtrans-56.5-42.5175.2-23.331.3000113.4P323 V327 A328 E329 M524 V527P323-P325 VanDerWaalsContact C-N 3.34Å; P325-V327 VanDerWaalsContact C-N 3.31Å; P325-V327 PolarHBondContact O-N 3.06Å; P325-A328 PolarHBondContact O-N 3.29Å; P325-E329 PolarHBondContact O-N 3.42Å; P325-M524 HydrophobicContact CB-CE 3.64Å; P325-V527 HydrophobicContact CG-CG1 3.76Å
326E92.3Very high92.4Very high99 Ų9945.2 Ų45.246%0.46323%0.23SC..Hα-helixtrans-67.7-35.5179.1-62.4-180-172.100111.3P323 F324 S330P323-E326 HydrophobicContact CB-CG 4.41Å; P323-E326 WeakPolarHBondContact CD-OE2 3.19Å; P323-E326 HydrophobicContact CG-CG 4.36Å; P323-E326 WeakPolarHBondContact O-CB 3.46Å; P323-E326 PolarHBondContact O-N 2.9Å; F324-E326 VanDerWaalsContact C-N 3.31Å; F324-E326 PolarHBondContact O-N 2.74Å; E326-S330 WeakPolarHBondContact O-CB 3.47Å; E326-S330 PolarHBondContact O-N 3.27Å; E326-S330 PolarHBondContact O-OG 2.95Å
327V92.8Very high92.1Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-65.5-45.5176.3-178.70000110.8Y267 F315 H319 P323 F324 P325 E329 S330 V331Y267-V327 HydrophobicContact CD1-CG1 3.76Å; Y267-V327 HydrophobicContact CD1-CG2 4.2Å; Y267-V327 HydrophobicContact CD2-CG1 4.03Å; Y267-V327 HydrophobicContact CE1-CG1 3.82Å; Y267-V327 HydrophobicContact CE2-CG1 4.07Å; Y267-V327 HydrophobicContact CG-CB 4.38Å; Y267-V327 HydrophobicContact CG-CG1 3.88Å; Y267-V327 HydrophobicContact CG-CG2 4Å; F315-V327 HydrophobicContact CE1-CG1 3.9Å; F315-V327 HydrophobicContact CZ-CG1 3.9Å; H319-V327 HydrophobicContact CB-CG2 3.98Å; P323-V327 PolarHBondContact O-N 3.49Å; F324-V327 PolarHBondContact O-N 3.18Å; F324-V327 VanDerWaalsContact O-N 3.15Å; P325-V327 VanDerWaalsContact C-N 3.31Å; P325-V327 PolarHBondContact O-N 3.06Å; V327-E329 VanDerWaalsContact C-N 3.32Å; V327-E329 PolarHBondContact O-N 2.91Å; V327-S330 PolarHBondContact O-N 3Å; V327-S330 VanDerWaalsContact O-N 3.16Å; V327-V331 HydrophobicContact CG1-CG2 4.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.89Å
328A89.1Confident91.8Very high29 Ų2946.3 Ų46.324%0.2424%0.239CC..Hα-helixtrans-59.6-42.8178.100000112F324 P325 Q332 M524F324-A328 PolarHBondContact O-N 3.04Å; P325-A328 PolarHBondContact O-N 3.29Å; A328-Q332 PolarHBondContact O-N 3.24Å; A328-M524 HydrophobicContact CB-SD 4.36Å
329E91.4Very high91.5Very high89 Ų8945.6 Ų45.642%0.41623%0.232SC..Hα-helixtrans-64.2-42.6174.8-69.3-177.8169.400111.7P325 V327 Q332 E333 K528P325-E329 PolarHBondContact O-N 3.42Å; V327-E329 VanDerWaalsContact C-N 3.32Å; V327-E329 PolarHBondContact O-N 2.91Å; E329-Q332 PolarHBondContact O-N 3.24Å; E329-E333 PolarHBondContact O-N 2.71Å; E329-K528 WeakPolarHBondContact OE1-CE 3.24Å; E329-K528 IonicContact OE1-NZ 2.72Å; E329-K528 PolarHBondContact OE1-NZ 3.38Å
330S93.3Very high91.2Very high18 Ų1848.1 Ų48.113%0.12626%0.255CS..Hα-helixtrans-68.2-37.7-179.6-57.30000112.9H319 E326 V327 Q332 E333 E334H319-S330 PolarHBondContact CE1-OG 3.42Å; E326-S330 WeakPolarHBondContact O-CB 3.47Å; E326-S330 PolarHBondContact O-N 3.27Å; E326-S330 PolarHBondContact O-OG 2.95Å; V327-S330 PolarHBondContact O-N 3Å; V327-S330 VanDerWaalsContact O-N 3.16Å; S330-Q332 VanDerWaalsContact C-N 3.31Å; S330-E333 PolarHBondContact O-N 2.9Å; S330-E334 PolarHBondContact O-N 2.99Å
331V91.1Very high90.7Very high12 Ų1250.7 Ų50.77%0.07327%0.267CS..Hα-helixtrans-61.2-44.1173.5171.60000110.1F315 V327 E334 L335 H394 T395F315-V331 HydrophobicContact CE1-CG2 3.87Å; F315-V331 HydrophobicContact CE2-CG2 4.05Å; F315-V331 HydrophobicContact CZ-CB 4.38Å; F315-V331 HydrophobicContact CZ-CG2 3.34Å; V327-V331 HydrophobicContact CG1-CG2 4.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.89Å; V331-E334 PolarHBondContact O-N 3.33Å; V331-L335 WeakPolarHBondContact O-CB 3.46Å; V331-L335 PolarHBondContact O-N 3.35Å; V331-H394 HydrophobicContact CG2-CB 4.02Å; V331-T395 WeakPolarHBondContact CG1-OG1 3.43Å
332Q89Confident90.2Very high91 Ų9152.8 Ų52.843%0.42527%0.273SS..Hα-helixtrans-64.3-43.1179.6-174.456.95100111.5A328 E329 S330 E334 L335 D336A328-Q332 PolarHBondContact O-N 3.24Å; E329-Q332 PolarHBondContact O-N 3.24Å; S330-Q332 VanDerWaalsContact C-N 3.31Å; Q332-E334 PolarHBondContact O-N 3.27Å; Q332-L335 PolarHBondContact O-N 3.33Å; Q332-D336 VanDerWaalsContact NE2-CG 3.31Å; Q332-D336 PolarHBondContact NE2-OD1 2.94Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.09Å; Q332-D336 PolarHBondContact NE2-OD2 3.01Å; Q332-D336 PolarHBondContact O-N 3.01Å
333E92.6Very high89.8Confident126 Ų12656.4 Ų56.459%0.58929%0.291SS*.Hα-helixtrans-60.7-43.1175.7-173-177.8-176.100112.3E329 S330 D336 T337E329-E333 PolarHBondContact O-N 2.71Å; S330-E333 PolarHBondContact O-N 2.9Å; E333-D336 PolarHBondContact O-N 2.99Å; E333-T337 WeakPolarHBondContact O-CB 3.23Å; E333-T337 PolarHBondContact O-N 3.47Å; E333-T337 PolarHBondContact O-OG1 3.21Å
334E90.1Very high89.3Confident61 Ų6158.9 Ų58.929%0.28530%0.299SS..Hα-helixtrans-66.1-38.3176.8-74.9-157.1173.400112.6F315 S330 V331 Q332 T337 Y338 I391F315-E334 VanDerWaalsContact CD2-CD 3.47Å; F315-E334 HydrophobicContact CD2-CG 4.34Å; F315-E334 WeakPolarHBondContact CD2-OE1 3.36Å; S330-E334 PolarHBondContact O-N 2.99Å; V331-E334 PolarHBondContact O-N 3.33Å; Q332-E334 PolarHBondContact O-N 3.27Å; E334-T337 PolarHBondContact O-N 3.45Å; E334-Y338 WeakPolarHBondContact O-CB 3.42Å; E334-Y338 PolarHBondContact O-N 3.41Å; E334-I391 HydrophobicContact CB-CD1 4.32Å; E334-I391 HydrophobicContact CB-CG1 4.25Å
335L89.1Confident88.7Confident28 Ų2859.8 Ų59.815%0.14731%0.305CS..Hα-helixtrans-63.6-44.8176-178.866000111.5V331 Q332 Y338 R339 I391V331-L335 WeakPolarHBondContact O-CB 3.46Å; V331-L335 PolarHBondContact O-N 3.35Å; Q332-L335 PolarHBondContact O-N 3.33Å; L335-Y338 PolarHBondContact O-N 2.93Å; L335-R339 WeakPolarHBondContact O-CG 3.3Å; L335-R339 PolarHBondContact O-N 3.34Å; L335-I391 HydrophobicContact CB-CG2 4.13Å; L335-I391 HydrophobicContact CD1-CG2 3.81Å
336D90.2Very high88.2Confident74 Ų7463.9 Ų63.940%0.39632%0.322SS..Hα-helixtrans-68-39179-68.7-29.6000111.4Q332 E333 Y338 R339 A340Q332-D336 VanDerWaalsContact NE2-CG 3.31Å; Q332-D336 PolarHBondContact NE2-OD1 2.94Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.09Å; Q332-D336 PolarHBondContact NE2-OD2 3.01Å; Q332-D336 PolarHBondContact O-N 3.01Å; E333-D336 PolarHBondContact O-N 2.99Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; D336-Y338 PolarHBondContact O-N 3.23Å; D336-R339 PolarHBondContact O-N 3.43Å; D336-R339 IonicContact OD1-NH1 3.69Å; D336-A340 PolarHBondContact O-N 3.16Å; D336-A340 VanDerWaalsContact O-N 3.07Å
337T89.3Confident87.7Confident64 Ų6466.4 Ų66.439%0.39333%0.327SS..Hα-helixtrans-61.7-41.3172.5-57.90000111.5E333 E334 Q341E333-T337 WeakPolarHBondContact O-CB 3.23Å; E333-T337 PolarHBondContact O-N 3.47Å; E333-T337 PolarHBondContact O-OG1 3.21Å; E334-T337 PolarHBondContact O-N 3.45Å; T337-Q341 WeakPolarHBondContact O-CG 3.04Å; T337-Q341 PolarHBondContact O-N 3.25Å
338Y88Confident86.8Confident21 Ų2167.4 Ų67.48%0.08233%0.332CS..Hα-helixtrans-65.4-44.5176.7175-94.9000112.1E334 L335 D336 A340 Q341 E342 L384 K388 I391E334-Y338 WeakPolarHBondContact O-CB 3.42Å; E334-Y338 PolarHBondContact O-N 3.41Å; L335-Y338 PolarHBondContact O-N 2.93Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; D336-Y338 PolarHBondContact O-N 3.23Å; Y338-A340 VanDerWaalsContact C-N 3.32Å; Y338-A340 PolarHBondContact O-N 2.85Å; Y338-Q341 WeakPolarHBondContact O-CB 3.09Å; Y338-Q341 PolarHBondContact O-N 2.93Å; Y338-Q341 VanDerWaalsContact O-N 3.1Å; Y338-E342 HydrophobicContact CE1-CB 4.39Å; Y338-E342 PolarHBondContact O-N 3.34Å; Y338-L384 WeakPolarHBondContact CE2-O 3.46Å; Y338-K388 HydrophobicContact CE1-CB 4.31Å; Y338-K388 HydrophobicContact CE1-CD 4.29Å; Y338-K388 HydrophobicContact CE1-CG 3.96Å; Y338-K388 HydrophobicContact CE2-CB 3.77Å; Y338-K388 HydrophobicContact CE2-CG 4.33Å; Y338-K388 WeakPolarHBondContact OH-CD 3.38Å; Y338-I391 HydrophobicContact CD2-CD1 4.27Å; Y338-I391 HydrophobicContact CG-CD1 3.99Å
339R88.3Confident86Confident125 Ų12570.5 Ų70.547%0.47234%0.34SS..Hα-helixtrans-57.7-44.8176.7-75.2172.4174.7173.2-2.7111.7L335 D336 Q341 E342 D343L335-R339 WeakPolarHBondContact O-CG 3.3Å; L335-R339 PolarHBondContact O-N 3.34Å; D336-R339 PolarHBondContact O-N 3.43Å; D336-R339 IonicContact OD1-NH1 3.69Å; R339-Q341 VanDerWaalsContact C-N 3.31Å; R339-Q341 PolarHBondContact O-N 3.02Å; R339-E342 PolarHBondContact O-N 3.22Å; R339-D343 WeakPolarHBondContact O-CB 3.37Å; R339-D343 PolarHBondContact O-N 3.41Å
340A88.4Confident85.1Confident63 Ų6369.7 Ų69.752%0.52134%0.344SS..Hα-helixtrans-60.5-39175.800000112.7D336 Y338 E344D336-A340 PolarHBondContact O-N 3.16Å; D336-A340 VanDerWaalsContact O-N 3.07Å; Y338-A340 VanDerWaalsContact C-N 3.32Å; Y338-A340 PolarHBondContact O-N 2.85Å; A340-E344 PolarHBondContact O-N 2.87Å
341Q85.4Confident84Confident77 Ų7773.5 Ų73.536%0.3636%0.362SS..Hα-helixtrans-67.8-41.8175.3-70.3175.4-15.100111.9T337 Y338 R339 E344 V345 L384T337-Q341 WeakPolarHBondContact O-CG 3.04Å; T337-Q341 PolarHBondContact O-N 3.25Å; Y338-Q341 WeakPolarHBondContact O-CB 3.09Å; Y338-Q341 PolarHBondContact O-N 2.93Å; Y338-Q341 VanDerWaalsContact O-N 3.1Å; R339-Q341 VanDerWaalsContact C-N 3.31Å; R339-Q341 PolarHBondContact O-N 3.02Å; Q341-E344 PolarHBondContact O-N 3.4Å; Q341-V345 WeakPolarHBondContact O-CG2 3.41Å; Q341-V345 PolarHBondContact O-N 2.85Å; Q341-V345 VanDerWaalsContact O-N 3.11Å; Q341-L384 HydrophobicContact CB-CD2 4.41Å
342E84Confident82.4Confident60 Ų6076.2 Ų76.228%0.2838%0.375SS..Hα-helixtrans-63.8-43.2177.7-168-172.4167.700111.7Y338 R339 V345 K346Y338-E342 HydrophobicContact CE1-CB 4.39Å; Y338-E342 PolarHBondContact O-N 3.34Å; R339-E342 PolarHBondContact O-N 3.22Å; E342-V345 PolarHBondContact O-N 2.84Å; E342-K346 HydrophobicContact CG-CD 4.49Å; E342-K346 WeakPolarHBondContact O-CG 3.35Å; E342-K346 PolarHBondContact O-N 3.34Å; E342-K346 WeakPolarHBondContact OE1-CE 3.24Å; E342-K346 IonicContact OE1-NZ 2.73Å; E342-K346 PolarHBondContact OE1-NZ 2.61Å
343D85.8Confident80.9Confident95 Ų9574.4 Ų74.451%0.50838%0.381SS..Hα-helixtrans-65.4-38.3179.2-72.3-20.1000112R339 K346 R347R339-D343 WeakPolarHBondContact O-CB 3.37Å; R339-D343 PolarHBondContact O-N 3.41Å; D343-K346 PolarHBondContact O-N 3.38Å; D343-R347 VanDerWaalsContact O-CB 3.27Å; D343-R347 WeakPolarHBondContact O-CB 3.45Å; D343-R347 PolarHBondContact O-N 3.19Å
344E82.7Confident79.2Confident82 Ų8274.5 Ų74.538%0.38339%0.385SS..Hα-helixtrans-65.7-39.8173.4-177.161.7-170.100111.5A340 Q341 R347 L348A340-E344 PolarHBondContact O-N 2.87Å; Q341-E344 PolarHBondContact O-N 3.4Å; E344-R347 PolarHBondContact O-N 2.84Å; E344-R347 IonicContact OE2-NH1 3.5Å; E344-L348 HydrophobicContact CG-CD1 4.36Å; E344-L348 WeakPolarHBondContact O-CB 3.33Å; E344-L348 VanDerWaalsContact O-CG 3.29Å; E344-L348 WeakPolarHBondContact O-CG 3.39Å; E344-L348 PolarHBondContact O-N 3.12Å
345V79Confident77.2Confident24 Ų2479.1 Ų79.115%0.14541%0.406CS..Hα-helixtrans-64.1-42.7174.6172.40000111.4Q341 E342 L348 K349 L384Q341-V345 WeakPolarHBondContact O-CG2 3.41Å; Q341-V345 PolarHBondContact O-N 2.85Å; Q341-V345 VanDerWaalsContact O-N 3.11Å; E342-V345 PolarHBondContact O-N 2.84Å; V345-L348 PolarHBondContact O-N 2.98Å; V345-K349 WeakPolarHBondContact O-CG 3.31Å; V345-K349 PolarHBondContact O-N 2.94Å; V345-L384 HydrophobicContact CG2-CD1 4.17Å
346K80.9Confident75.1Confident104 Ų10480.3 Ų80.345%0.45243%0.425SS..Hα-helixtrans-62.5-43.6175-75.4174.6-176.6160.30111.5E342 D343 L348 K349 S350E342-K346 HydrophobicContact CG-CD 4.49Å; E342-K346 WeakPolarHBondContact O-CG 3.35Å; E342-K346 PolarHBondContact O-N 3.34Å; E342-K346 WeakPolarHBondContact OE1-CE 3.24Å; E342-K346 IonicContact OE1-NZ 2.73Å; E342-K346 PolarHBondContact OE1-NZ 2.61Å; D343-K346 PolarHBondContact O-N 3.38Å; K346-L348 PolarHBondContact O-N 3.47Å; K346-K349 WeakPolarHBondContact O-CB 3.36Å; K346-K349 PolarHBondContact O-N 3.48Å; K346-S350 WeakPolarHBondContact O-CB 3.37Å; K346-S350 PolarHBondContact O-N 2.72Å
347R81.7Confident72.9Confident151 Ų15186.8 Ų86.857%0.5745%0.453SS*.Hα-helixtrans-59.9-45.5175.6-177.4-173.4174.1-169.61.8111.8D343 E344 K349 S350 I351D343-R347 VanDerWaalsContact O-CB 3.27Å; D343-R347 WeakPolarHBondContact O-CB 3.45Å; D343-R347 PolarHBondContact O-N 3.19Å; E344-R347 PolarHBondContact O-N 2.84Å; E344-R347 IonicContact OE2-NH1 3.5Å; R347-K349 VanDerWaalsContact C-N 3.31Å; R347-K349 PolarHBondContact O-N 2.94Å; R347-S350 PolarHBondContact O-N 2.87Å; R347-I351 HydrophobicContact CG-CD1 3.93Å; R347-I351 WeakPolarHBondContact O-CG1 3.37Å; R347-I351 PolarHBondContact O-N 3.31Å
348L73.9Confident70.7Confident21 Ų2191.3 Ų91.311%0.1147%0.474CS..Hα-helixtrans-61.8-38176.9-72.8170.2000112.1E344 V345 K346E344-L348 HydrophobicContact CG-CD1 4.36Å; E344-L348 WeakPolarHBondContact O-CB 3.33Å; E344-L348 VanDerWaalsContact O-CG 3.29Å; E344-L348 WeakPolarHBondContact O-CG 3.39Å; E344-L348 PolarHBondContact O-N 3.12Å; V345-L348 PolarHBondContact O-N 2.98Å; K346-L348 PolarHBondContact O-N 3.47Å
349K71.9Confident68.6Low95 Ų95100.1 Ų100.141%0.41352%0.517SS..Hα-helixtrans-64.7-44.2172.5-73.5-178.9177.5-175.60112.4V345 K346 R347 M352V345-K349 WeakPolarHBondContact O-CG 3.31Å; V345-K349 PolarHBondContact O-N 2.94Å; K346-K349 WeakPolarHBondContact O-CB 3.36Å; K346-K349 PolarHBondContact O-N 3.48Å; R347-K349 VanDerWaalsContact C-N 3.31Å; R347-K349 PolarHBondContact O-N 2.94Å; K349-M352 PolarHBondContact O-N 3Å
350S73Confident66.8Low71 Ų7196.6 Ų96.650%0.49752%0.519SS..Hα-helixtrans-65.1-42.1-178.6-175.70000112.6K346 R347 M352 G353K346-S350 WeakPolarHBondContact O-CB 3.37Å; K346-S350 PolarHBondContact O-N 2.72Å; R347-S350 PolarHBondContact O-N 2.87Å; S350-M352 PolarHBondContact O-N 3.02Å; S350-M352 VanDerWaalsContact O-N 3.07Å; S350-G353 PolarHBondContact O-N 3.13Å; S350-G353 VanDerWaalsContact O-N 3.12Å
351I69.2Low64.8Low98 Ų98100.1 Ų100.150%0.50354%0.536SS..Hα-helixtrans-58.5-23.5176.4-70.8168.1000112.3R347R347-I351 HydrophobicContact CG-CD1 3.93Å; R347-I351 WeakPolarHBondContact O-CG1 3.37Å; R347-I351 PolarHBondContact O-N 3.31Å
352M58.1Low63.1Low70 Ų70102.8 Ų102.835%0.34555%0.552SS.*THydrogen-bonded Turntrans-96.67.3-177.8-70.1-170.949.900114.6K349 S350 L354 L374K349-M352 PolarHBondContact O-N 3Å; S350-M352 PolarHBondContact O-N 3.02Å; S350-M352 VanDerWaalsContact O-N 3.07Å; M352-L354 HydrophobicContact CB-CD1 4.36Å; M352-L354 PolarHBondContact O-N 3.39Å; M352-L374 HydrophobicContact CE-CD1 3.96Å; M352-L374 HydrophobicContact CG-CD1 4.33Å; M352-L374 HydrophobicContact SD-CB 4.14Å; M352-L374 HydrophobicContact SD-CD1 3.2Å; M352-L374 WeakPolarHBondContact SD-CD1 3.44Å; M352-L374 HydrophobicContact SD-CG 4.21Å
353G58Low61.4Low53 Ų53105.1 Ų105.155%0.54657%0.574SS.*THydrogen-bonded Turntrans68.617.4173.300000114.9S350 E355S350-G353 PolarHBondContact O-N 3.13Å; S350-G353 VanDerWaalsContact O-N 3.12Å; G353-E355 PolarHBondContact O-N 3.16Å
354L56Low59.7Low128 Ų128105.2 Ų105.267%0.6758%0.583SS**THydrogen-bonded Turntrans-76.51.4179.4-78.3159.3000114M352M352-L354 HydrophobicContact CB-CD1 4.36Å; M352-L354 PolarHBondContact O-N 3.39Å
355E48.1Very low58.1Low158 Ų158109 Ų10974%0.73860%0.604SS**THydrogen-bonded Turntrans-115.817.3179.7-75.3-172.7157.900113.9G353G353-E355 PolarHBondContact O-N 3.16Å
356G46Very low56.8Low52 Ų52112.1 Ų112.154%0.53663%0.627SS.*  trans-144.3129.817700000113.3D358G356-D358 PolarHBondContact O-N 2.83Å
357E42.4Very low55.4Low211 Ų211111.9 Ų111.999%0.98663%0.628SS**  trans-68.538171.7-66.7-178.9140.900113.5
358D43.4Very low54.3Low158 Ų158109 Ų10985%0.84563%0.632SS**  trans-114.2103.3-179.5-117.5-14.4000111.6G356 G360G356-D358 PolarHBondContact O-N 2.83Å; D358-G360 VanDerWaalsContact C-N 3.28Å; D358-G360 PolarHBondContact O-N 2.75Å
359E44.8Very low53.7Low207 Ų207113.6 Ų113.697%0.96766%0.656SS**  trans-6382.4167.3-76.4-176136.200110.3
360G49Very low53.3Low50 Ų50111.3 Ų111.352%0.51565%0.649SS.*  trans-112.1144171.500000112.7D358 I362D358-G360 VanDerWaalsContact C-N 3.28Å; D358-G360 PolarHBondContact O-N 2.75Å; G360-I362 PolarHBondContact O-N 2.97Å
361P46.7Very low52.9Low137 Ų137110.8 Ų110.889%0.8964%0.642SS**  trans-67.2126.7-169.2-10.524.8000112.4S363P361-S363 PolarHBondContact O-N 2.98Å
362I50.3Low52.8Low133 Ų133109 Ų10968%0.68264%0.643SS**  trans-64.5114.5-176.9-61.5165.3000110.8G360 S364 M367G360-I362 PolarHBondContact O-N 2.97Å; I362-S364 PolarHBondContact O-N 2.75Å; I362-M367 HydrophobicContact CG2-CE 4.22Å; I362-M367 HydrophobicContact CG2-SD 4.27Å
363S48.6Very low53.2Low109 Ų109111.2 Ų111.276%0.76265%0.65SS**  trans-77.5112168.463.30000110.6P361 I365P361-S363 PolarHBondContact O-N 2.98Å; S363-I365 PolarHBondContact O-N 3.28Å
364S50.8Low53.5Low98 Ų98110.3 Ų110.369%0.68563%0.633SS**THydrogen-bonded Turntrans-91.540.1-161.760.10000116.3I362I362-S364 PolarHBondContact O-N 2.75Å
365I47.6Very low54.1Low162 Ų162108.6 Ų108.683%0.83163%0.628SS**THydrogen-bonded Turntrans-123.4-5.5-174.3-61.1178.4000115S363S363-I365 PolarHBondContact O-N 3.28Å
366S51.7Low55.4Low89 Ų89104.6 Ų104.662%0.62262%0.617SS**SBendtrans-123.123.1179.1-55.40000114.8N370S366-N370 PolarHBondContact O-ND2 2.78Å
367M52.5Low56.4Low98 Ų98102.6 Ų102.648%0.48360%0.596SS.*Hα-helixtrans-85-30.8-166.2-137.997.3171.100114.5I362 T371I362-M367 HydrophobicContact CG2-CE 4.22Å; I362-M367 HydrophobicContact CG2-SD 4.27Å; M367-T371 WeakPolarHBondContact O-CB 3.27Å; M367-T371 PolarHBondContact O-N 2.92Å; M367-T371 PolarHBondContact O-OG1 3.15Å
368S58.3Low57.7Low92 Ų9296.4 Ų96.464%0.64357%0.572SS**Hα-helixtrans-71.7-47.4-168.259.10000113.8T371 A372S368-T371 PolarHBondContact O-N 3.02Å; S368-A372 WeakPolarHBondContact O-CB 3.08Å; S368-A372 PolarHBondContact O-N 2.87Å
369D62.1Low59.2Low116 Ų11693 Ų9362%0.6256%0.56SS**Hα-helixtrans-71.2-36.3-178.3-77-5.4000112K373D369-K373 WeakPolarHBondContact O-CB 3.41Å; D369-K373 VanDerWaalsContact O-CG 3.27Å; D369-K373 WeakPolarHBondContact O-CG 3.18Å; D369-K373 PolarHBondContact O-N 2.89Å
370N61.7Low60.9Low47 Ų4784.7 Ų84.725%0.25153%0.526SS..Hα-helixtrans-74.4-34.4177.5-70.1-21.5000111.9S366 K373 L374S366-N370 PolarHBondContact O-ND2 2.78Å; N370-K373 PolarHBondContact O-N 2.95Å; N370-L374 VanDerWaalsContact O-CB 3.32Å; N370-L374 WeakPolarHBondContact O-CB 3.12Å; N370-L374 PolarHBondContact O-N 2.84Å
371T65.6Low62.3Low60 Ų6085.2 Ų85.237%0.36852%0.516SS..Hα-helixtrans-66.9-43.6173.6-58.80000111M367 S368 L374 T375M367-T371 WeakPolarHBondContact O-CB 3.27Å; M367-T371 PolarHBondContact O-N 2.92Å; M367-T371 PolarHBondContact O-OG1 3.15Å; S368-T371 PolarHBondContact O-N 3.02Å; T371-L374 PolarHBondContact O-N 3.03Å; T371-T375 PolarHBondContact O-N 2.77Å; T371-T375 PolarHBondContact O-OG1 3.11Å
372A67.3Low64Low62 Ų6282.8 Ų82.851%0.51250%0.5SS..Hα-helixtrans-62.5-43.5175.500000112.2S368 L374 T375 S376S368-A372 WeakPolarHBondContact O-CB 3.08Å; S368-A372 PolarHBondContact O-N 2.87Å; A372-L374 VanDerWaalsContact C-N 3.32Å; A372-L374 PolarHBondContact O-N 2.91Å; A372-T375 PolarHBondContact O-N 3.35Å; A372-S376 WeakPolarHBondContact O-CB 3.48Å; A372-S376 PolarHBondContact O-N 2.79Å
373K66.3Low65.7Low116 Ų11683.5 Ų83.550%0.50450%0.501SS..Hα-helixtrans-63.1-36.3173.7-75.2176.4-177.5179.90112.4D369 N370 S376 A377D369-K373 WeakPolarHBondContact O-CB 3.41Å; D369-K373 VanDerWaalsContact O-CG 3.27Å; D369-K373 WeakPolarHBondContact O-CG 3.18Å; D369-K373 PolarHBondContact O-N 2.89Å; N370-K373 PolarHBondContact O-N 2.95Å; K373-S376 WeakPolarHBondContact O-CB 3.41Å; K373-S376 PolarHBondContact O-N 2.78Å; K373-A377 WeakPolarHBondContact O-CB 3.27Å; K373-A377 PolarHBondContact O-N 2.94Å
374L64.3Low67.3Low33 Ų3379.5 Ų79.517%0.17347%0.471CS..Hα-helixtrans-75.3-39.9178.3-159.6144.6000112.1M352 N370 T371 A372 S376 A377 V378M352-L374 HydrophobicContact CE-CD1 3.96Å; M352-L374 HydrophobicContact CG-CD1 4.33Å; M352-L374 HydrophobicContact SD-CB 4.14Å; M352-L374 HydrophobicContact SD-CD1 3.2Å; M352-L374 WeakPolarHBondContact SD-CD1 3.44Å; M352-L374 HydrophobicContact SD-CG 4.21Å; N370-L374 VanDerWaalsContact O-CB 3.32Å; N370-L374 WeakPolarHBondContact O-CB 3.12Å; N370-L374 PolarHBondContact O-N 2.84Å; T371-L374 PolarHBondContact O-N 3.03Å; A372-L374 VanDerWaalsContact C-N 3.32Å; A372-L374 PolarHBondContact O-N 2.91Å; L374-S376 VanDerWaalsContact C-N 3.26Å; L374-S376 PolarHBondContact O-N 3.04Å; L374-A377 PolarHBondContact O-N 3.21Å; L374-V378 HydrophobicContact CD2-CG2 3.65Å; L374-V378 WeakPolarHBondContact O-CB 3.32Å; L374-V378 VanDerWaalsContact O-CG2 3.31Å; L374-V378 WeakPolarHBondContact O-CG2 3.39Å; L374-V378 PolarHBondContact O-N 3.41Å
375T69.3Low69Low92 Ų9280.2 Ų80.256%0.56447%0.466SS*.Hα-helixtrans-57.9-42.7169.9-55.20000110.6T371 A372 S379T371-T375 PolarHBondContact O-N 2.77Å; T371-T375 PolarHBondContact O-OG1 3.11Å; A372-T375 PolarHBondContact O-N 3.35Å; T375-S379 WeakPolarHBondContact O-CB 2.89Å; T375-S379 PolarHBondContact O-N 3.29Å; T375-S379 PolarHBondContact O-OG 2.97Å
376S74.1Confident70.9Confident74 Ų7476.7 Ų76.752%0.51745%0.446SS..Hα-helixtrans-62.1-46.9173.1-171.90000112A372 K373 L374 S379 S380A372-S376 WeakPolarHBondContact O-CB 3.48Å; A372-S376 PolarHBondContact O-N 2.79Å; K373-S376 WeakPolarHBondContact O-CB 3.41Å; K373-S376 PolarHBondContact O-N 2.78Å; L374-S376 VanDerWaalsContact C-N 3.26Å; L374-S376 PolarHBondContact O-N 3.04Å; S376-S379 WeakPolarHBondContact CA-OG 2.91Å; S376-S379 PolarHBondContact O-N 2.74Å; S376-S379 PolarHBondContact O-OG 3.4Å; S376-S380 PolarHBondContact O-N 2.88Å; S376-S380 PolarHBondContact O-OG 3.45Å
377A68.1Low72.6Confident11 Ų1175.4 Ų75.49%0.09143%0.43CS..Hα-helixtrans-62.4-45.3179.500000111.8K373 L374 S379 S380 L381K373-A377 WeakPolarHBondContact O-CB 3.27Å; K373-A377 PolarHBondContact O-N 2.94Å; L374-A377 PolarHBondContact O-N 3.21Å; A377-S379 VanDerWaalsContact C-N 3.33Å; A377-S379 PolarHBondContact O-N 3.3Å; A377-S380 WeakPolarHBondContact CA-OG 3.25Å; A377-S380 PolarHBondContact O-N 3.27Å; A377-S380 VanDerWaalsContact O-N 3.1Å; A377-S380 PolarHBondContact O-OG 2.97Å; A377-L381 PolarHBondContact O-N 3.27Å; A377-L381 VanDerWaalsContact O-N 3.16Å
378V69.6Low74.4Confident81 Ų8174.5 Ų74.549%0.49142%0.423SS..Hα-helixtrans-62.3-40.3176.1171.30000111.2L374 S380 L381L374-V378 HydrophobicContact CD2-CG2 3.65Å; L374-V378 WeakPolarHBondContact O-CB 3.32Å; L374-V378 VanDerWaalsContact O-CG2 3.31Å; L374-V378 WeakPolarHBondContact O-CG2 3.39Å; L374-V378 PolarHBondContact O-N 3.41Å; V378-S380 VanDerWaalsContact C-N 3.25Å; V378-S380 PolarHBondContact O-N 3.41Å; V378-L381 PolarHBondContact O-N 3.13Å
379S75.6Confident76Confident85 Ų8575.5 Ų75.559%0.59441%0.413SS*.Hα-helixtrans-65.7-27.2174.970.90000113.4T375 S376 A377T375-S379 WeakPolarHBondContact O-CB 2.89Å; T375-S379 PolarHBondContact O-N 3.29Å; T375-S379 PolarHBondContact O-OG 2.97Å; S376-S379 WeakPolarHBondContact CA-OG 2.91Å; S376-S379 PolarHBondContact O-N 2.74Å; S376-S379 PolarHBondContact O-OG 3.4Å; A377-S379 VanDerWaalsContact C-N 3.33Å; A377-S379 PolarHBondContact O-N 3.3Å
380S78.8Confident77.4Confident34 Ų3471.4 Ų71.424%0.23839%0.391CS..Hα-helixtrans-88.7-7.5178.9710000114.7S376 A377 V378 E383 L384S376-S380 PolarHBondContact O-N 2.88Å; S376-S380 PolarHBondContact O-OG 3.45Å; A377-S380 WeakPolarHBondContact CA-OG 3.25Å; A377-S380 PolarHBondContact O-N 3.27Å; A377-S380 VanDerWaalsContact O-N 3.1Å; A377-S380 PolarHBondContact O-OG 2.97Å; V378-S380 VanDerWaalsContact C-N 3.25Å; V378-S380 PolarHBondContact O-N 3.41Å; S380-E383 PolarHBondContact O-N 3.36Å; S380-E383 VanDerWaalsContact O-N 3.15Å; S380-L384 PolarHBondContact O-N 3.34Å
381L78.4Confident78.8Confident60 Ų6069.3 Ų69.331%0.31438%0.38SS..Hα-helixtrans-56.8-43.9-178.1-76.9172.2000113.8A377 V378 E383 L384 L385A377-L381 PolarHBondContact O-N 3.27Å; A377-L381 VanDerWaalsContact O-N 3.16Å; V378-L381 PolarHBondContact O-N 3.13Å; L381-E383 VanDerWaalsContact C-N 3.3Å; L381-E383 PolarHBondContact O-N 2.97Å; L381-L384 PolarHBondContact O-N 3.11Å; L381-L385 WeakPolarHBondContact O-CG 3.28Å; L381-L385 PolarHBondContact O-N 3.21Å
382P84.2Confident80Confident86 Ų8669.8 Ų69.856%0.55838%0.38SS*.Hα-helixtrans-61-38.9177.2-23.635.2000112.7L385 E386P382-L385 PolarHBondContact O-N 3.46Å; P382-E386 PolarHBondContact O-N 2.99Å
383E84.1Confident81.3Confident148 Ų14867 Ų6769%0.69236%0.356SS*.Hα-helixtrans-68.1-40.5177.4-62.4-174.3167.500111.5S380 L381 E386 K387S380-E383 PolarHBondContact O-N 3.36Å; S380-E383 VanDerWaalsContact O-N 3.15Å; L381-E383 VanDerWaalsContact C-N 3.3Å; L381-E383 PolarHBondContact O-N 2.97Å; E383-E386 PolarHBondContact O-N 3.02Å; E383-K387 VanDerWaalsContact O-CB 3.31Å; E383-K387 WeakPolarHBondContact O-CB 3.3Å; E383-K387 PolarHBondContact O-N 3.23Å
384L82.7Confident82.7Confident26 Ų2661.5 Ų61.514%0.13633%0.332CS..Hα-helixtrans-64.8-38.4175.2-74.2174000112.3Y338 Q341 V345 S380 L381 K387 K388Y338-L384 WeakPolarHBondContact CE2-O 3.46Å; Q341-L384 HydrophobicContact CB-CD2 4.41Å; V345-L384 HydrophobicContact CG2-CD1 4.17Å; S380-L384 PolarHBondContact O-N 3.34Å; L381-L384 PolarHBondContact O-N 3.11Å; L384-K387 PolarHBondContact O-N 2.93Å; L384-K388 WeakPolarHBondContact O-CB 3.3Å; L384-K388 PolarHBondContact O-N 3.15Å
385L86.7Confident84Confident113 Ų11361.8 Ų61.859%0.59234%0.335SS*.Hα-helixtrans-66-42.8175.7-73174000111.7L381 P382 K388 R389L381-L385 WeakPolarHBondContact O-CG 3.28Å; L381-L385 PolarHBondContact O-N 3.21Å; P382-L385 PolarHBondContact O-N 3.46Å; L385-K388 WeakPolarHBondContact O-CB 3.46Å; L385-K388 PolarHBondContact O-N 2.96Å; L385-R389 PolarHBondContact O-N 3.1Å
386E87.1Confident85.2Confident87 Ų8760.5 Ų60.541%0.40733%0.325SS..Hα-helixtrans-67-40.7176-177.457.7-164.600111.5P382 E383 K388 R389 L390P382-E386 PolarHBondContact O-N 2.99Å; E383-E386 PolarHBondContact O-N 3.02Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-K388 PolarHBondContact O-N 3.35Å; E386-R389 WeakPolarHBondContact O-CB 3.37Å; E386-R389 PolarHBondContact O-N 3.38Å; E386-R389 IonicContact OE1-CZ 3.11Å; E386-R389 IonicContact OE1-NE 2.72Å; E386-R389 PolarHBondContact OE1-NE 3.4Å; E386-R389 VanDerWaalsContact OE1-NE 3.11Å; E386-R389 IonicContact OE1-NH2 2.73Å; E386-R389 PolarHBondContact OE1-NH2 3.19Å; E386-R389 IonicContact OE2-CZ 2.77Å; E386-R389 IonicContact OE2-NE 2.94Å; E386-R389 PolarHBondContact OE2-NE 2.95Å; E386-L390 PolarHBondContact O-N 3.31Å
387K88.1Confident86.1Confident63 Ų6357 Ų5727%0.27430%0.3SS..Hα-helixtrans-59.2-45.3173.4-174.9177.9175.4-173.90111.4E383 L384 R389 L390 I391E383-K387 VanDerWaalsContact O-CB 3.31Å; E383-K387 WeakPolarHBondContact O-CB 3.3Å; E383-K387 PolarHBondContact O-N 3.23Å; L384-K387 PolarHBondContact O-N 2.93Å; K387-R389 VanDerWaalsContact C-N 3.33Å; K387-R389 PolarHBondContact O-N 2.82Å; K387-L390 PolarHBondContact O-N 3.22Å; K387-I391 HydrophobicContact CG-CD1 3.98Å; K387-I391 WeakPolarHBondContact O-CG1 3.31Å; K387-I391 PolarHBondContact O-N 3.37Å
388K89.6Confident87.4Confident79 Ų7956.9 Ų56.934%0.34330%0.3SS..Hα-helixtrans-57.2-46.7174.2-170.5-169.5-178.6167.20111.3Y338 L384 L385 E386 L390 I391 D392Y338-K388 HydrophobicContact CE1-CB 4.31Å; Y338-K388 HydrophobicContact CE1-CD 4.29Å; Y338-K388 HydrophobicContact CE1-CG 3.96Å; Y338-K388 HydrophobicContact CE2-CB 3.77Å; Y338-K388 HydrophobicContact CE2-CG 4.33Å; Y338-K388 WeakPolarHBondContact OH-CD 3.38Å; L384-K388 WeakPolarHBondContact O-CB 3.3Å; L384-K388 PolarHBondContact O-N 3.15Å; L385-K388 WeakPolarHBondContact O-CB 3.46Å; L385-K388 PolarHBondContact O-N 2.96Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-K388 PolarHBondContact O-N 3.35Å; K388-L390 VanDerWaalsContact C-N 3.3Å; K388-L390 PolarHBondContact O-N 3.01Å; K388-I391 PolarHBondContact O-N 3.38Å; K388-D392 WeakPolarHBondContact O-CB 3.5Å; K388-D392 VanDerWaalsContact O-CG 3.32Å; K388-D392 PolarHBondContact O-N 3.06Å
389R91.8Very high88.4Confident112 Ų11256.3 Ų56.342%0.42330%0.297SS..Hα-helixtrans-57.6-42.2179.6-168.2-166.570.874.20.7112L385 E386 K387 L393L385-R389 PolarHBondContact O-N 3.1Å; E386-R389 WeakPolarHBondContact O-CB 3.37Å; E386-R389 PolarHBondContact O-N 3.38Å; E386-R389 IonicContact OE1-CZ 3.11Å; E386-R389 IonicContact OE1-NE 2.72Å; E386-R389 PolarHBondContact OE1-NE 3.4Å; E386-R389 VanDerWaalsContact OE1-NE 3.11Å; E386-R389 IonicContact OE1-NH2 2.73Å; E386-R389 PolarHBondContact OE1-NH2 3.19Å; E386-R389 IonicContact OE2-CZ 2.77Å; E386-R389 IonicContact OE2-NE 2.94Å; E386-R389 PolarHBondContact OE2-NE 2.95Å; K387-R389 VanDerWaalsContact C-N 3.33Å; K387-R389 PolarHBondContact O-N 2.82Å; R389-L393 WeakPolarHBondContact O-CB 3.43Å; R389-L393 PolarHBondContact O-N 3.4Å
390L92Very high89.3Confident31 Ų3153.3 Ų53.316%0.16228%0.277CS..Hα-helixtrans-69.3-41.6177.2-66.8178.1000112.3D313 E386 K387 K388 L393 H394D313-L390 HydrophobicContact CB-CD2 4.39Å; E386-L390 PolarHBondContact O-N 3.31Å; K387-L390 PolarHBondContact O-N 3.22Å; K388-L390 VanDerWaalsContact C-N 3.3Å; K388-L390 PolarHBondContact O-N 3.01Å; L390-L393 WeakPolarHBondContact O-CB 3.35Å; L390-L393 PolarHBondContact O-N 3.25Å; L390-H394 PolarHBondContact O-CD2 2.64Å; L390-H394 VanDerWaalsContact O-CD2 3.3Å; L390-H394 PolarHBondContact O-N 3.23Å
391I91.8Very high90Very high3 Ų351.7 Ų51.72%0.01527%0.266CS..Hα-helixtrans-61.8-47.3175-68.1167.1000110.4E334 L335 Y338 K387 K388 L393 H394 T395E334-I391 HydrophobicContact CB-CD1 4.32Å; E334-I391 HydrophobicContact CB-CG1 4.25Å; L335-I391 HydrophobicContact CB-CG2 4.13Å; L335-I391 HydrophobicContact CD1-CG2 3.81Å; Y338-I391 HydrophobicContact CD2-CD1 4.27Å; Y338-I391 HydrophobicContact CG-CD1 3.99Å; K387-I391 HydrophobicContact CG-CD1 3.98Å; K387-I391 WeakPolarHBondContact O-CG1 3.31Å; K387-I391 PolarHBondContact O-N 3.37Å; K388-I391 PolarHBondContact O-N 3.38Å; I391-L393 VanDerWaalsContact C-N 3.28Å; I391-L393 PolarHBondContact O-N 2.9Å; I391-H394 PolarHBondContact O-N 2.72Å; I391-T395 VanDerWaalsContact O-CB 3.29Å; I391-T395 WeakPolarHBondContact O-CB 3.4Å; I391-T395 PolarHBondContact O-N 3.05Å; I391-T395 PolarHBondContact O-OG1 2.72Å
392D91.4Very high90.7Very high70 Ų7051.2 Ų51.237%0.37426%0.263SS..Hα-helixtrans-60.4-40.7177-72.5-19000110.6K388 N396K388-D392 WeakPolarHBondContact O-CB 3.5Å; K388-D392 VanDerWaalsContact O-CG 3.32Å; K388-D392 PolarHBondContact O-N 3.06Å; D392-N396 WeakPolarHBondContact O-CB 3.35Å; D392-N396 PolarHBondContact O-N 2.82Å; D392-N396 PolarHBondContact O-ND2 2.97Å
393L94.1Very high91.1Very high2 Ų251.5 Ų51.51%0.0126%0.26CS..Hα-helixtrans-57.2-57174.6179160.1000111Y307 L309 R389 L390 I391 T395 N396 V397Y307-L393 HydrophobicContact CD1-CB 3.92Å; Y307-L393 HydrophobicContact CD1-CD1 3.91Å; Y307-L393 HydrophobicContact CD1-CG 3.54Å; Y307-L393 HydrophobicContact CE1-CB 4.33Å; Y307-L393 HydrophobicContact CE1-CG 4.38Å; Y307-L393 HydrophobicContact CG-CD1 4.37Å; Y307-L393 HydrophobicContact CG-CG 4.04Å; L309-L393 HydrophobicContact CD2-CD2 3.64Å; R389-L393 WeakPolarHBondContact O-CB 3.43Å; R389-L393 PolarHBondContact O-N 3.4Å; L390-L393 WeakPolarHBondContact O-CB 3.35Å; L390-L393 PolarHBondContact O-N 3.25Å; I391-L393 VanDerWaalsContact C-N 3.28Å; I391-L393 PolarHBondContact O-N 2.9Å; L393-T395 VanDerWaalsContact C-N 3.33Å; L393-T395 PolarHBondContact O-N 3Å; L393-N396 PolarHBondContact O-N 3.47Å; L393-V397 HydrophobicContact CD2-CG2 4.28Å; L393-V397 WeakPolarHBondContact O-CG2 3.49Å; L393-V397 PolarHBondContact O-N 3.41Å
394H94.9Very high91.6Very high2 Ų247.6 Ų47.61%0.00924%0.241CC..Hα-helixtrans-68.3-33.1-176.2-74.9-61.1000113Y267 D313 F315 V331 L390 I391 A398Y267-H394 AromaticContact CE1-ND1 3.73Å; Y267-H394 AromaticContact CZ-ND1 3.85Å; Y267-H394 PolarHBondContact OH-ND1 3.35Å; D313-H394 IonicContact OD1-NE2 3.48Å; D313-H394 PolarHBondContact OD1-NE2 3.17Å; D313-H394 IonicContact OD2-CD2 3.66Å; D313-H394 IonicContact OD2-CE1 2.91Å; D313-H394 IonicContact OD2-NE2 3.38Å; D313-H394 PolarHBondContact OD2-NE2 2.93Å; F315-H394 HydrophobicContact CD1-CB 4.1Å; F315-H394 AromaticContact CD1-CD2 3.25Å; F315-H394 WeakPolarHBondContact CD1-CD2 3.46Å; F315-H394 AromaticContact CD1-CE1 3.62Å; F315-H394 AromaticContact CD1-CG 3.38Å; F315-H394 AromaticContact CD1-ND1 3.61Å; F315-H394 AromaticContact CD1-NE2 3.39Å; F315-H394 WeakPolarHBondContact CD1-NE2 3.38Å; F315-H394 HydrophobicContact CE1-CB 4.05Å; F315-H394 AromaticContact CE1-CG 3.73Å; F315-H394 AromaticContact CE1-ND1 3.89Å; F315-H394 AromaticContact CG-CD2 3.69Å; F315-H394 AromaticContact CG-NE2 3.96Å; V331-H394 HydrophobicContact CG2-CB 4.02Å; L390-H394 PolarHBondContact O-CD2 2.64Å; L390-H394 VanDerWaalsContact O-CD2 3.3Å; L390-H394 PolarHBondContact O-N 3.23Å; I391-H394 PolarHBondContact O-N 2.72Å; H394-A398 WeakPolarHBondContact O-CB 3.24Å; H394-A398 PolarHBondContact O-N 3.49Å
395T92.8Very high92Very high38 Ų3846.4 Ų46.423%0.23324%0.235CC..Hα-helixtrans-59.6-52.6172.1-570000110.2V331 I391 L393 V397 A398 T399V331-T395 WeakPolarHBondContact CG1-OG1 3.43Å; I391-T395 VanDerWaalsContact O-CB 3.29Å; I391-T395 WeakPolarHBondContact O-CB 3.4Å; I391-T395 PolarHBondContact O-N 3.05Å; I391-T395 PolarHBondContact O-OG1 2.72Å; L393-T395 VanDerWaalsContact C-N 3.33Å; L393-T395 PolarHBondContact O-N 3Å; T395-V397 PolarHBondContact O-N 3.19Å; T395-A398 PolarHBondContact O-N 3.05Å; T395-T399 WeakPolarHBondContact O-CB 3.18Å; T395-T399 PolarHBondContact O-N 3.5Å; T395-T399 PolarHBondContact O-OG1 3.28Å
396N92.9Very high92.3Very high65 Ų6547.2 Ų47.235%0.34823%0.234SC..Hα-helixtrans-61.5-44.5-179.7-71.8-47.7000112.4M284 Y307 D392 L393 A400M284-N396 HydrophobicContact CE-CB 4.38Å; Y307-N396 PolarHBondContact OH-ND2 2.75Å; Y307-N396 VanDerWaalsContact OH-ND2 3.13Å; D392-N396 WeakPolarHBondContact O-CB 3.35Å; D392-N396 PolarHBondContact O-N 2.82Å; D392-N396 PolarHBondContact O-ND2 2.97Å; L393-N396 PolarHBondContact O-N 3.47Å; N396-A400 WeakPolarHBondContact O-CB 3.36Å; N396-A400 PolarHBondContact O-N 3.33Å
397V94.5Very high92.7Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-64.9-46.2178.4173.90000111Y267 I271 L275 M284 L393 T395 T399 A400 V401Y267-V397 HydrophobicContact CE2-CG1 4.22Å; I271-V397 HydrophobicContact CD1-CG1 3.59Å; I271-V397 HydrophobicContact CG1-CG1 3.75Å; L275-V397 HydrophobicContact CD1-CG1 4.19Å; M284-V397 HydrophobicContact CE-CB 4.47Å; M284-V397 HydrophobicContact CE-CG2 3.69Å; L393-V397 HydrophobicContact CD2-CG2 4.28Å; L393-V397 WeakPolarHBondContact O-CG2 3.49Å; L393-V397 PolarHBondContact O-N 3.41Å; T395-V397 PolarHBondContact O-N 3.19Å; V397-T399 PolarHBondContact O-N 3.42Å; V397-A400 PolarHBondContact O-N 3.16Å; V397-V401 WeakPolarHBondContact O-CG2 3.5Å; V397-V401 PolarHBondContact O-N 3.34Å
398A93.9Very high93Very high10 Ų1045.2 Ų45.28%0.08323%0.234CC..Hα-helixtrans-65.8-38.1179.800000112.1F324 H394 T395 V401 L402F324-A398 HydrophobicContact CE2-CB 4.33Å; H394-A398 WeakPolarHBondContact O-CB 3.24Å; H394-A398 PolarHBondContact O-N 3.49Å; T395-A398 PolarHBondContact O-N 3.05Å; A398-V401 PolarHBondContact O-N 2.93Å; A398-L402 WeakPolarHBondContact O-CB 3.5Å; A398-L402 PolarHBondContact O-N 2.77Å
399T91.7Very high93.2Very high69 Ų6944.7 Ų44.742%0.42323%0.231SC..Hα-helixtrans-62-47.4173.7-59.30000111.3T395 V397 V401 L402 D403T395-T399 WeakPolarHBondContact O-CB 3.18Å; T395-T399 PolarHBondContact O-N 3.5Å; T395-T399 PolarHBondContact O-OG1 3.28Å; V397-T399 PolarHBondContact O-N 3.42Å; T399-V401 VanDerWaalsContact C-N 3.33Å; T399-V401 PolarHBondContact O-N 3.11Å; T399-L402 WeakPolarHBondContact O-CB 3.42Å; T399-L402 PolarHBondContact O-N 3.38Å; T399-L402 VanDerWaalsContact O-N 3.16Å; T399-D403 PolarHBondContact O-N 3.05Å
400A93.7Very high93.3Very high22 Ų2239.4 Ų39.418%0.18221%0.211CC..Hα-helixtrans-61.1-41.617800000112.4L275 M284 N396 V397 D403 H404L275-A400 HydrophobicContact CD1-CB 4.4Å; L275-A400 HydrophobicContact CD2-CB 4.14Å; M284-A400 HydrophobicContact SD-CB 3.49Å; M284-A400 WeakPolarHBondContact SD-CB 3.24Å; N396-A400 WeakPolarHBondContact O-CB 3.36Å; N396-A400 PolarHBondContact O-N 3.33Å; V397-A400 PolarHBondContact O-N 3.16Å; A400-D403 PolarHBondContact O-N 3.02Å; A400-H404 PolarHBondContact O-CD2 3.2Å; A400-H404 VanDerWaalsContact O-CD2 3.24Å; A400-H404 PolarHBondContact O-N 3.02Å
401V93.9Very high93.2Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-62.2-44.3174.1170.60000111.4L270 I271 V274 L275 F324 V397 A398 T399 D403 H404 I405L270-V401 HydrophobicContact CD2-CG1 3.34Å; L270-V401 HydrophobicContact CG-CG1 3.62Å; I271-V401 HydrophobicContact CG1-CG2 3.91Å; V274-V401 HydrophobicContact CG2-CB 4.49Å; V274-V401 HydrophobicContact CG2-CG1 4.43Å; V274-V401 HydrophobicContact CG2-CG2 4.08Å; L275-V401 HydrophobicContact CD1-CG2 3.81Å; L275-V401 HydrophobicContact CG-CG2 4.23Å; F324-V401 HydrophobicContact CD2-CG1 3.98Å; F324-V401 HydrophobicContact CE1-CG1 4.47Å; F324-V401 HydrophobicContact CE2-CB 3.94Å; F324-V401 HydrophobicContact CE2-CG1 3.53Å; F324-V401 HydrophobicContact CZ-CB 4.19Å; F324-V401 HydrophobicContact CZ-CG1 3.82Å; V397-V401 WeakPolarHBondContact O-CG2 3.5Å; V397-V401 PolarHBondContact O-N 3.34Å; A398-V401 PolarHBondContact O-N 2.93Å; T399-V401 VanDerWaalsContact C-N 3.33Å; T399-V401 PolarHBondContact O-N 3.11Å; V401-D403 VanDerWaalsContact C-N 3.3Å; V401-D403 PolarHBondContact O-N 3.35Å; V401-H404 PolarHBondContact O-N 3.36Å; V401-I405 HydrophobicContact CG1-CD1 4.04Å; V401-I405 WeakPolarHBondContact O-CG1 3.49Å; V401-I405 PolarHBondContact O-N 3.5Å
402L92.6Very high93.3Very high50 Ų5041.6 Ų41.626%0.26223%0.225SC..Hα-helixtrans-62-38178.4-176.963.8000112.2F324 A398 T399 H404 I405 K406F324-L402 HydrophobicContact CE1-CB 4.32Å; F324-L402 HydrophobicContact CE1-CD1 4.06Å; F324-L402 HydrophobicContact CZ-CB 4.09Å; A398-L402 WeakPolarHBondContact O-CB 3.5Å; A398-L402 PolarHBondContact O-N 2.77Å; T399-L402 WeakPolarHBondContact O-CB 3.42Å; T399-L402 PolarHBondContact O-N 3.38Å; T399-L402 VanDerWaalsContact O-N 3.16Å; L402-H404 VanDerWaalsContact C-N 3.34Å; L402-I405 PolarHBondContact O-N 3.19Å; L402-K406 HydrophobicContact CD1-CD 4.44Å; L402-K406 HydrophobicContact CD1-CG 4.39Å; L402-K406 HydrophobicContact CG-CD 4.23Å; L402-K406 WeakPolarHBondContact O-CG 3.42Å; L402-K406 PolarHBondContact O-N 3.23Å
403D92.6Very high93.4Very high92 Ų9238.2 Ų38.249%0.49221%0.207SC..Hα-helixtrans-63.4-41176.1-70.2-19.6000111.2T399 A400 V401 S407T399-D403 PolarHBondContact O-N 3.05Å; A400-D403 PolarHBondContact O-N 3.02Å; V401-D403 VanDerWaalsContact C-N 3.3Å; V401-D403 PolarHBondContact O-N 3.35Å; D403-S407 VanDerWaalsContact O-CB 3.25Å; D403-S407 WeakPolarHBondContact O-CB 3.39Å; D403-S407 PolarHBondContact O-N 2.96Å; D403-S407 PolarHBondContact O-OG 3.48Å
404H93.9Very high93.4Very high65 Ų6538.4 Ų38.430%0.30121%0.207SC..Hα-helixtrans-64.7-42.6172.6-78.7-65.7000112.7V274 A400 V401 L402 K406 S407 R408V274-H404 HydrophobicContact CB-CB 3.98Å; V274-H404 HydrophobicContact CG1-CB 4.4Å; V274-H404 HydrophobicContact CG2-CB 4.02Å; A400-H404 PolarHBondContact O-CD2 3.2Å; A400-H404 VanDerWaalsContact O-CD2 3.24Å; A400-H404 PolarHBondContact O-N 3.02Å; V401-H404 PolarHBondContact O-N 3.36Å; L402-H404 VanDerWaalsContact C-N 3.34Å; H404-K406 PolarHBondContact O-N 2.91Å; H404-S407 PolarHBondContact O-OG 3.38Å; H404-R408 WeakPolarHBondContact O-CB 3.34Å; H404-R408 PolarHBondContact O-N 3.21Å; H404-R408 VanDerWaalsContact O-N 3.17Å
405I92.8Very high93.2Very high2 Ų241.9 Ų41.91%0.0122%0.224CC..Hα-helixtrans-58.2-51.2176.2-70.1163.5000110.4W265 L270 F324 V401 L402 K409 L410W265-I405 HydrophobicContact CH2-CD1 4.24Å; W265-I405 HydrophobicContact CH2-CG1 4.34Å; W265-I405 HydrophobicContact CH2-CG2 3.87Å; W265-I405 HydrophobicContact CZ3-CG1 4.47Å; L270-I405 HydrophobicContact CD2-CD1 3.82Å; L270-I405 HydrophobicContact CD2-CG1 4.38Å; F324-I405 HydrophobicContact CD1-CD1 3.53Å; F324-I405 HydrophobicContact CE1-CD1 3.49Å; F324-I405 VanDerWaalsContact CE1-CD1 3.49Å; F324-I405 HydrophobicContact CG-CD1 4.26Å; F324-I405 HydrophobicContact CZ-CD1 4.21Å; V401-I405 HydrophobicContact CG1-CD1 4.04Å; V401-I405 WeakPolarHBondContact O-CG1 3.49Å; V401-I405 PolarHBondContact O-N 3.5Å; L402-I405 PolarHBondContact O-N 3.19Å; I405-K409 VanDerWaalsContact O-CA 3.29Å; I405-K409 WeakPolarHBondContact O-CA 3.34Å; I405-K409 PolarHBondContact O-N 2.94Å; I405-L410 HydrophobicContact CG1-CB 4.5Å; I405-L410 HydrophobicContact CG1-CD1 4.41Å; I405-L410 HydrophobicContact CG2-CB 4.48Å; I405-L410 PolarHBondContact O-N 3.16Å
406K92.8Very high93.1Very high129 Ų12940.8 Ų40.856%0.56122%0.216SC*.Hα-helixtrans-67.4-47.3-175.9-73.1177.8178.6173.20112.4L402 H404 R408 K409L402-K406 HydrophobicContact CD1-CD 4.44Å; L402-K406 HydrophobicContact CD1-CG 4.39Å; L402-K406 HydrophobicContact CG-CD 4.23Å; L402-K406 WeakPolarHBondContact O-CG 3.42Å; L402-K406 PolarHBondContact O-N 3.23Å; H404-K406 PolarHBondContact O-N 2.91Å; K406-R408 VanDerWaalsContact C-N 3.28Å; K406-R408 PolarHBondContact O-N 3.31Å; K406-K409 PolarHBondContact O-N 2.9Å
407S94.2Very high93.1Very high83 Ų8337.7 Ų37.758%0.5820%0.199SC*.Hα-helixtrans-65.6-31.7-176.356.60000113D403 H404D403-S407 VanDerWaalsContact O-CB 3.25Å; D403-S407 WeakPolarHBondContact O-CB 3.39Å; D403-S407 PolarHBondContact O-N 2.96Å; D403-S407 PolarHBondContact O-OG 3.48Å; H404-S407 PolarHBondContact O-OG 3.38Å
408R94.6Very high92.8Very high26 Ų2639.5 Ų39.510%0.09821%0.207CC..Hα-helixtrans-101.4-3.8-179.1-63.6161.362.2-173.1-1.4113.3H404 K406 L410 G440 T441 D444H404-R408 WeakPolarHBondContact O-CB 3.34Å; H404-R408 PolarHBondContact O-N 3.21Å; H404-R408 VanDerWaalsContact O-N 3.17Å; K406-R408 VanDerWaalsContact C-N 3.28Å; K406-R408 PolarHBondContact O-N 3.31Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 HydrophobicContact CB-CD2 3.51Å; R408-L410 HydrophobicContact CB-CG 3.81Å; R408-L410 PolarHBondContact O-N 2.93Å; R408-G440 VanDerWaalsContact O-CA 3.25Å; R408-G440 WeakPolarHBondContact O-CA 3.12Å; R408-G440 PolarHBondContact O-N 3.41Å; R408-T441 HydrophobicContact CG-CG2 4.06Å; R408-D444 IonicContact CZ-OD1 3.9Å; R408-D444 IonicContact CZ-OD2 3.97Å; R408-D444 IonicContact NE-OD1 2.96Å; R408-D444 IonicContact NE-OD2 3.93Å; R408-D444 PolarHBondContact NE-OD2 3.41Å; R408-D444 IonicContact NH2-OD1 3.25Å; R408-D444 PolarHBondContact NH2-OD1 3.15Å; R408-D444 IonicContact NH2-OD2 3.48Å; R408-D444 PolarHBondContact NH2-OD2 3.45Å
409K94.6Very high92.6Very high67 Ų6740.8 Ų40.829%0.29121%0.211SC..THydrogen-bonded Turntrans51.845.5-172.2-57.3179.5-174.8158.70112.4I405 K406 D411 V412 Y413 D436 D438 A439I405-K409 VanDerWaalsContact O-CA 3.29Å; I405-K409 WeakPolarHBondContact O-CA 3.34Å; I405-K409 PolarHBondContact O-N 2.94Å; K406-K409 PolarHBondContact O-N 2.9Å; K409-D411 WeakPolarHBondContact CA-OD1 3.42Å; K409-D411 PolarHBondContact O-N 2.83Å; K409-V412 HydrophobicContact CB-CG2 4.27Å; K409-V412 WeakPolarHBondContact O-CB 3.34Å; K409-V412 PolarHBondContact O-N 3.38Å; K409-Y413 WeakPolarHBondContact O-CD2 3.35Å; K409-Y413 PolarHBondContact O-N 3.14Å; K409-D436 IonicContact NZ-OD2 2.7Å; K409-D436 PolarHBondContact NZ-OD2 3.28Å; K409-D438 WeakPolarHBondContact CD-O 3.46Å; K409-D438 WeakPolarHBondContact CE-O 3.4Å; K409-D438 PolarHBondContact NZ-O 3.19Å; K409-D438 VanDerWaalsContact NZ-O 3.07Å; K409-A439 HydrophobicContact CD-CB 3.85Å
410L94.4Very high92.5Very high1 Ų138.2 Ų38.21%0.00520%0.195CC..Hα-helixtrans-63.9-24.5-173.5-62.3-173.9000113.5W265 V274 I405 R408 V412 Y413 F414W265-L410 HydrophobicContact CZ3-CB 4.44Å; V274-L410 HydrophobicContact CG1-CD1 3.85Å; I405-L410 HydrophobicContact CG1-CB 4.5Å; I405-L410 HydrophobicContact CG1-CD1 4.41Å; I405-L410 HydrophobicContact CG2-CB 4.48Å; I405-L410 PolarHBondContact O-N 3.16Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 HydrophobicContact CB-CD2 3.51Å; R408-L410 HydrophobicContact CB-CG 3.81Å; R408-L410 PolarHBondContact O-N 2.93Å; L410-V412 VanDerWaalsContact C-N 3.28Å; L410-V412 PolarHBondContact O-N 2.96Å; L410-Y413 PolarHBondContact O-N 3.32Å; L410-F414 VanDerWaalsContact O-CB 3.26Å; L410-F414 WeakPolarHBondContact O-CB 3.48Å; L410-F414 PolarHBondContact O-N 2.93Å
411D90.1Very high92.2Very high40 Ų4039.6 Ų39.621%0.21420%0.198CC..Hα-helixtrans-56.6-41171.154-48.1000112.2W265 K409 E415 L530W265-D411 HydrophobicContact CH2-CB 3.78Å; W265-D411 HydrophobicContact CZ2-CB 4.31Å; K409-D411 WeakPolarHBondContact CA-OD1 3.42Å; K409-D411 PolarHBondContact O-N 2.83Å; D411-E415 PolarHBondContact O-N 3.19Å; D411-E415 VanDerWaalsContact O-N 3.16Å; D411-L530 HydrophobicContact CB-CD1 3.94Å
412V92.1Very high91.8Very high40 Ų4041.5 Ų41.524%0.24221%0.211CC..Hα-helixtrans-70.1-45.6177.9-177.80000110.7K409 L410 F414 E415 Y416 I433K409-V412 HydrophobicContact CB-CG2 4.27Å; K409-V412 WeakPolarHBondContact O-CB 3.34Å; K409-V412 PolarHBondContact O-N 3.38Å; L410-V412 VanDerWaalsContact C-N 3.28Å; L410-V412 PolarHBondContact O-N 2.96Å; V412-F414 PolarHBondContact O-N 2.84Å; V412-E415 PolarHBondContact O-N 3.48Å; V412-Y416 HydrophobicContact CG1-CD2 4.1Å; V412-Y416 HydrophobicContact CG1-CE2 3.97Å; V412-Y416 VanDerWaalsContact O-CD2 3.29Å; V412-Y416 WeakPolarHBondContact O-CD2 3.43Å; V412-Y416 PolarHBondContact O-N 3.39Å; V412-Y416 VanDerWaalsContact O-N 3.16Å; V412-I433 HydrophobicContact CG1-CD1 3.85Å
413Y94.7Very high91.3Very high0 Ų046.6 Ų46.60%023%0.231CC..Hα-helixtrans-59.3-48.6177.5-79.9-93000111.3K409 L410 E415 Y416 E417 I433 A439 D444 K445 L448K409-Y413 WeakPolarHBondContact O-CD2 3.35Å; K409-Y413 PolarHBondContact O-N 3.14Å; L410-Y413 PolarHBondContact O-N 3.32Å; Y413-E415 VanDerWaalsContact C-N 3.32Å; Y413-E415 PolarHBondContact O-N 2.62Å; Y413-Y416 PolarHBondContact O-N 2.89Å; Y413-E417 WeakPolarHBondContact O-CG 3.47Å; Y413-E417 PolarHBondContact O-N 3.08Å; Y413-I433 HydrophobicContact CE1-CG2 4.1Å; Y413-I433 HydrophobicContact CE2-CG2 4.44Å; Y413-A439 HydrophobicContact CE2-CB 4.21Å; Y413-A439 PolarHBondContact OH-O 2.85Å; Y413-D444 HydrophobicContact CD1-CB 4.12Å; Y413-D444 HydrophobicContact CE1-CB 3.83Å; Y413-D444 WeakPolarHBondContact CE1-O 3.34Å; Y413-D444 HydrophobicContact CE2-CB 4.42Å; Y413-K445 HydrophobicContact CE1-CG 4.44Å; Y413-K445 WeakPolarHBondContact OH-CG 3.4Å; Y413-L448 HydrophobicContact CD1-CB 3.96Å; Y413-L448 HydrophobicContact CD1-CD2 3.87Å; Y413-L448 HydrophobicContact CD1-CG 4.45Å; Y413-L448 HydrophobicContact CE1-CB 4.12Å; Y413-L448 HydrophobicContact CE1-CD2 3.81Å
414F93.1Very high90.9Very high5 Ų544.9 Ų44.92%0.02223%0.227CC..Hα-helixtrans-53.9-46.5176.6179-97.9000112.3H262 H263 W265 L410 V412 Y416 E417 E418 L530 L532H262-F414 AromaticContact CE1-CD2 3.87Å; H262-F414 AromaticContact CE1-CE2 3.45Å; H262-F414 VanDerWaalsContact CE1-CE2 3.45Å; H262-F414 WeakPolarHBondContact CE1-CE2 3.4Å; H262-F414 AromaticContact NE2-CD2 3.93Å; H262-F414 AromaticContact NE2-CE2 3.9Å; H263-F414 HydrophobicContact CB-CB 4.44Å; H263-F414 VanDerWaalsContact O-CD2 3.24Å; H263-F414 WeakPolarHBondContact O-CD2 3.47Å; W265-F414 HydrophobicContact CB-CD2 4.42Å; W265-F414 HydrophobicContact CB-CE1 4.48Å; W265-F414 HydrophobicContact CB-CE2 4Å; W265-F414 HydrophobicContact CB-CZ 4.08Å; W265-F414 HydrophobicContact CE3-CB 4.27Å; W265-F414 HydrophobicContact CE3-CD1 4.48Å; W265-F414 HydrophobicContact CE3-CD2 4.3Å; W265-F414 HydrophobicContact CE3-CG 4.07Å; W265-F414 HydrophobicContact CZ3-CB 4.32Å; L410-F414 VanDerWaalsContact O-CB 3.26Å; L410-F414 WeakPolarHBondContact O-CB 3.48Å; L410-F414 PolarHBondContact O-N 2.93Å; V412-F414 PolarHBondContact O-N 2.84Å; F414-Y416 PolarHBondContact O-N 2.93Å; F414-E417 PolarHBondContact O-N 3.27Å; F414-E418 HydrophobicContact CD1-CG 4.35Å; F414-E418 HydrophobicContact CE1-CG 3.76Å; F414-E418 HydrophobicContact CE2-CG 3.97Å; F414-E418 HydrophobicContact CZ-CG 3.51Å; F414-E418 WeakPolarHBondContact O-CB 3.42Å; F414-E418 WeakPolarHBondContact O-CG 3.29Å; F414-E418 PolarHBondContact O-N 2.89Å; F414-L530 HydrophobicContact CD1-CD1 4.05Å; F414-L530 HydrophobicContact CD1-CD2 4.23Å; F414-L530 HydrophobicContact CE1-CB 4.5Å; F414-L532 HydrophobicContact CE1-CD2 4.38Å; F414-L532 HydrophobicContact CE2-CD2 4.14Å; F414-L532 HydrophobicContact CZ-CD2 3.48Å; F414-L532 VanDerWaalsContact CZ-CD2 3.48Å
415E90.5Very high90.1Very high75 Ų7547.9 Ų47.935%0.3525%0.249SC..Hα-helixtrans-62.2-43.4179.3-168.1-168161.900112.6D411 V412 Y413 K419 L530D411-E415 PolarHBondContact O-N 3.19Å; D411-E415 VanDerWaalsContact O-N 3.16Å; V412-E415 PolarHBondContact O-N 3.48Å; Y413-E415 VanDerWaalsContact C-N 3.32Å; Y413-E415 PolarHBondContact O-N 2.62Å; E415-K419 WeakPolarHBondContact O-CG 3.39Å; E415-K419 PolarHBondContact O-N 3.24Å; E415-K419 VanDerWaalsContact O-N 3.15Å; E415-K419 VanDerWaalsContact OE1-CE 3.26Å; E415-K419 WeakPolarHBondContact OE1-CE 3.46Å; E415-K419 IonicContact OE1-NZ 2.81Å; E415-K419 PolarHBondContact OE1-NZ 3.35Å; E415-L530 HydrophobicContact CB-CD2 4.25Å; E415-L530 HydrophobicContact CG-CD2 4.43Å
416Y91.5Very high89.6Confident16 Ų1650.1 Ų50.16%0.06326%0.261CS..Hα-helixtrans-64.6-45.3177.9-88.9-109.6000111.5V412 Y413 F414 K419 L420 L426 K428 L430 I433V412-Y416 HydrophobicContact CG1-CD2 4.1Å; V412-Y416 HydrophobicContact CG1-CE2 3.97Å; V412-Y416 VanDerWaalsContact O-CD2 3.29Å; V412-Y416 WeakPolarHBondContact O-CD2 3.43Å; V412-Y416 PolarHBondContact O-N 3.39Å; V412-Y416 VanDerWaalsContact O-N 3.16Å; Y413-Y416 PolarHBondContact O-N 2.89Å; F414-Y416 PolarHBondContact O-N 2.93Å; Y416-K419 PolarHBondContact O-N 3.15Å; Y416-L420 VanDerWaalsContact O-CG 3.28Å; Y416-L420 WeakPolarHBondContact O-CG 3.22Å; Y416-L420 PolarHBondContact O-N 3.41Å; Y416-L426 HydrophobicContact CD1-CD1 4.16Å; Y416-L426 HydrophobicContact CD1-CD2 3.78Å; Y416-L426 HydrophobicContact CE1-CD1 4.44Å; Y416-L426 HydrophobicContact CE1-CD2 4.34Å; Y416-L426 HydrophobicContact CG-CD2 4.38Å; Y416-K428 WeakPolarHBondContact OH-CB 3.31Å; Y416-L430 HydrophobicContact CD1-CD1 4.3Å; Y416-I433 HydrophobicContact CD1-CG1 4.3Å; Y416-I433 HydrophobicContact CD2-CG1 4.43Å; Y416-I433 HydrophobicContact CE1-CG1 3.7Å; Y416-I433 HydrophobicContact CE2-CD1 3.99Å; Y416-I433 HydrophobicContact CE2-CG1 3.85Å; Y416-I433 VanDerWaalsContact CZ-CG1 3.42Å; Y416-I433 WeakPolarHBondContact OH-CG1 3.23Å
417E92.8Very high88.6Confident0 Ų051.4 Ų51.40%027%0.269CS..Hα-helixtrans-66.2-41.6-178.2-64167.2-179.400111.7H262 H263 Y413 F414 K419 L420 M421 L448 I451H262-E417 WeakPolarHBondContact CD2-CB 3.3Å; H262-E417 IonicContact CD2-OE2 2.67Å; H262-E417 PolarHBondContact CD2-OE2 3.01Å; H262-E417 IonicContact CG-OE2 3.93Å; H262-E417 IonicContact NE2-OE2 3.2Å; H263-E417 WeakPolarHBondContact CB-OE2 3.41Å; H263-E417 IonicContact CE1-OE1 2.87Å; H263-E417 IonicContact CG-OE1 3.11Å; H263-E417 IonicContact CG-OE2 2.71Å; H263-E417 PolarHBondContact N-OE2 3.18Å; H263-E417 IonicContact ND1-OE1 3.76Å; H263-E417 PolarHBondContact ND1-OE1 2.83Å; H263-E417 IonicContact ND1-OE2 3.73Å; H263-E417 PolarHBondContact ND1-OE2 3.22Å; Y413-E417 WeakPolarHBondContact O-CG 3.47Å; Y413-E417 PolarHBondContact O-N 3.08Å; F414-E417 PolarHBondContact O-N 3.27Å; E417-K419 VanDerWaalsContact C-N 3.34Å; E417-K419 PolarHBondContact O-N 3.42Å; E417-L420 WeakPolarHBondContact O-CB 3.11Å; E417-L420 PolarHBondContact O-N 3.35Å; E417-L420 VanDerWaalsContact O-N 3.13Å; E417-M421 WeakPolarHBondContact O-CB 3.42Å; E417-M421 WeakPolarHBondContact O-CG 3.44Å; E417-M421 PolarHBondContact O-N 2.91Å; E417-L448 HydrophobicContact CG-CD1 3.66Å; E417-I451 HydrophobicContact CB-CD1 4.17Å; E417-I451 HydrophobicContact CG-CD1 3.67Å
418E88.9Confident87.9Confident37 Ų3754.2 Ų54.217%0.17327%0.271CS..Hα-helixtrans-57.2-46.5172.7-83.7-70.8114.700111.5H262 F414 L420 M421 S422H262-E418 IonicContact CE1-OE1 2.8Å; H262-E418 PolarHBondContact CE1-OE1 2.88Å; H262-E418 IonicContact NE2-OE1 3.52Å; F414-E418 HydrophobicContact CD1-CG 4.35Å; F414-E418 HydrophobicContact CE1-CG 3.76Å; F414-E418 HydrophobicContact CE2-CG 3.97Å; F414-E418 HydrophobicContact CZ-CG 3.51Å; F414-E418 WeakPolarHBondContact O-CB 3.42Å; F414-E418 WeakPolarHBondContact O-CG 3.29Å; F414-E418 PolarHBondContact O-N 2.89Å; E418-L420 VanDerWaalsContact C-N 3.31Å; E418-L420 PolarHBondContact O-N 2.91Å; E418-M421 PolarHBondContact O-N 3.07Å; E418-M421 WeakPolarHBondContact OE1-CE 3.31Å; E418-S422 VanDerWaalsContact O-CB 3.3Å; E418-S422 WeakPolarHBondContact O-CB 3.43Å; E418-S422 PolarHBondContact O-N 3.03Å; E418-S422 PolarHBondContact O-OG 3.11Å; E418-S422 VanDerWaalsContact O-OG 3.04Å
419K88.7Confident87.6Confident37 Ų3755.5 Ų55.516%0.16128%0.284CS..Hα-helixtrans-60.7-40.5176.2-73.5177.7-173.91740111.4E415 Y416 E417 S422 K423 S424 L426 E427E415-K419 WeakPolarHBondContact O-CG 3.39Å; E415-K419 PolarHBondContact O-N 3.24Å; E415-K419 VanDerWaalsContact O-N 3.15Å; E415-K419 VanDerWaalsContact OE1-CE 3.26Å; E415-K419 WeakPolarHBondContact OE1-CE 3.46Å; E415-K419 IonicContact OE1-NZ 2.81Å; E415-K419 PolarHBondContact OE1-NZ 3.35Å; Y416-K419 PolarHBondContact O-N 3.15Å; E417-K419 VanDerWaalsContact C-N 3.34Å; E417-K419 PolarHBondContact O-N 3.42Å; K419-S422 PolarHBondContact O-OG 3.06Å; K419-K423 PolarHBondContact O-N 2.91Å; K419-S424 PolarHBondContact O-N 2.94Å; K419-L426 HydrophobicContact CB-CD2 3.92Å; K419-L426 HydrophobicContact CD-CD2 4.43Å; K419-E427 IonicContact NZ-OE1 2.97Å; K419-E427 PolarHBondContact NZ-OE1 3.39Å
420L89.5Confident87.4Confident15 Ų1552.5 Ų52.58%0.07927%0.271CS..Hα-helixtrans-65.8-48.9177.9-72.1171.6000112Y416 E417 E418 S422 K423 L426 L430 L448 I451 F452Y416-L420 VanDerWaalsContact O-CG 3.28Å; Y416-L420 WeakPolarHBondContact O-CG 3.22Å; Y416-L420 PolarHBondContact O-N 3.41Å; E417-L420 WeakPolarHBondContact O-CB 3.11Å; E417-L420 PolarHBondContact O-N 3.35Å; E417-L420 VanDerWaalsContact O-N 3.13Å; E418-L420 VanDerWaalsContact C-N 3.31Å; E418-L420 PolarHBondContact O-N 2.91Å; L420-S422 VanDerWaalsContact C-N 3.32Å; L420-S422 PolarHBondContact O-N 3.25Å; L420-K423 PolarHBondContact O-N 2.97Å; L420-L426 HydrophobicContact CD2-CD1 3.93Å; L420-L426 HydrophobicContact CD2-CD2 4.3Å; L420-L426 HydrophobicContact CD2-CG 4.19Å; L420-L426 HydrophobicContact CG-CD1 4.48Å; L420-L426 HydrophobicContact CG-CD2 4.25Å; L420-L430 HydrophobicContact CD1-CD1 4.43Å; L420-L448 HydrophobicContact CD1-CD1 3.82Å; L420-I451 HydrophobicContact CB-CG2 4.29Å; L420-I451 HydrophobicContact CD1-CG2 4.43Å; L420-F452 HydrophobicContact CD1-CB 3.84Å; L420-F452 HydrophobicContact CD2-CB 4.38Å; L420-F452 HydrophobicContact CD2-CD2 3.78Å
421M87Confident87.2Confident51 Ų5154.5 Ų54.525%0.25128%0.282SS..Hα-helixtrans-66.6-33.6179.8-67.2-167.4-54.200112.4H262 E417 E418 K423 I451 T455H262-M421 HydrophobicContact CB-CE 4.34Å; H262-M421 HydrophobicContact CB-SD 4.21Å; H262-M421 WeakPolarHBondContact CD2-CE 3.26Å; H262-M421 WeakPolarHBondContact CE1-CE 3.49Å; H262-M421 VanDerWaalsContact CG-CE 3.46Å; H262-M421 WeakPolarHBondContact ND1-CE 3.47Å; H262-M421 WeakPolarHBondContact NE2-CE 3.42Å; E417-M421 WeakPolarHBondContact O-CB 3.42Å; E417-M421 WeakPolarHBondContact O-CG 3.44Å; E417-M421 PolarHBondContact O-N 2.91Å; E418-M421 PolarHBondContact O-N 3.07Å; E418-M421 WeakPolarHBondContact OE1-CE 3.31Å; M421-K423 PolarHBondContact O-N 2.8Å; M421-I451 HydrophobicContact CG-CG2 4.01Å; M421-T455 HydrophobicContact CG-CG2 4.3Å
422S85.4Confident87.3Confident40 Ų4057.1 Ų57.128%0.2830%0.296SS..THydrogen-bonded Turntrans-80.25.1172.476.20000113.8E418 K419 L420 S424E418-S422 VanDerWaalsContact O-CB 3.3Å; E418-S422 WeakPolarHBondContact O-CB 3.43Å; E418-S422 PolarHBondContact O-N 3.03Å; E418-S422 PolarHBondContact O-OG 3.11Å; E418-S422 VanDerWaalsContact O-OG 3.04Å; K419-S422 PolarHBondContact O-OG 3.06Å; L420-S422 VanDerWaalsContact C-N 3.32Å; L420-S422 PolarHBondContact O-N 3.25Å; S422-S424 PolarHBondContact O-N 3.28Å; S422-S424 PolarHBondContact O-OG 2.91Å; S422-S424 PolarHBondContact OG-OG 2.81Å
423K84.1Confident87.3Confident158 Ų15856 Ų5669%0.68729%0.288SS*.THydrogen-bonded Turntrans54.532.2-178.7-56.2179.3-179.5176.80113.3K419 L420 M421K419-K423 PolarHBondContact O-N 2.91Å; L420-K423 PolarHBondContact O-N 2.97Å; M421-K423 PolarHBondContact O-N 2.8Å
424S82.8Confident87.3Confident56 Ų5656 Ų5639%0.39229%0.288SS..PPolyproline II helixtrans-89.6156.2177.3-60.90000110.8K419 S422K419-S424 PolarHBondContact O-N 2.94Å; S422-S424 PolarHBondContact O-N 3.28Å; S422-S424 PolarHBondContact O-OG 2.91Å; S422-S424 PolarHBondContact OG-OG 2.81Å
425T78.5Confident87.3Confident127 Ų12758.7 Ų58.778%0.77931%0.307SS*.PPolyproline II helixtrans-72.3134.5179.248.70000110.9
426L81Confident87.4Confident49 Ų4957.2 Ų57.226%0.25730%0.302SS..PPolyproline II helixtrans-74.6140.8171-63.6179.5000110.5Y416 K419 L420 L430Y416-L426 HydrophobicContact CD1-CD1 4.16Å; Y416-L426 HydrophobicContact CD1-CD2 3.78Å; Y416-L426 HydrophobicContact CE1-CD1 4.44Å; Y416-L426 HydrophobicContact CE1-CD2 4.34Å; Y416-L426 HydrophobicContact CG-CD2 4.38Å; K419-L426 HydrophobicContact CB-CD2 3.92Å; K419-L426 HydrophobicContact CD-CD2 4.43Å; L420-L426 HydrophobicContact CD2-CD1 3.93Å; L420-L426 HydrophobicContact CD2-CD2 4.3Å; L420-L426 HydrophobicContact CD2-CG 4.19Å; L420-L426 HydrophobicContact CG-CD1 4.48Å; L420-L426 HydrophobicContact CG-CD2 4.25Å; L426-L430 HydrophobicContact CD1-CB 4.35Å; L426-L430 HydrophobicContact CD1-CD1 4.26Å
427E72.3Confident87.3Confident157 Ų15761.8 Ų61.873%0.73433%0.334SS*.SBendtrans-82.2-34.6179.2-72.2167.9-139.800112.7K419K419-E427 IonicContact NZ-OE1 2.97Å; K419-E427 PolarHBondContact NZ-OE1 3.39Å
428K79.8Confident87.2Confident141 Ų14167.4 Ų67.461%0.61336%0.364SS*.SBendtrans-121.3162.3173.2-43.7173.6176.7171.60110.3Y416Y416-K428 WeakPolarHBondContact OH-CB 3.31Å
429S87.6Confident87.3Confident53 Ų5365.8 Ų65.837%0.37136%0.356SS..  trans-63.1140.5-179-174.30000110.8L431 D432S429-L431 PolarHBondContact O-N 3.28Å; S429-L431 PolarHBondContact OG-N 3.49Å; S429-D432 WeakPolarHBondContact CB-OD2 3.36Å; S429-D432 PolarHBondContact N-OD2 2.94Å; S429-D432 WeakPolarHBondContact O-CB 3.47Å; S429-D432 PolarHBondContact O-N 2.95Å
430L89.7Confident87.5Confident4 Ų464.9 Ų64.92%0.02136%0.358CS..Hα-helixtrans-60.8-32.7171.6-168.670.7000111.2Y416 L420 L426 D432 I433 I434 L448 F449 F452 Y468Y416-L430 HydrophobicContact CD1-CD1 4.3Å; L420-L430 HydrophobicContact CD1-CD1 4.43Å; L426-L430 HydrophobicContact CD1-CB 4.35Å; L426-L430 HydrophobicContact CD1-CD1 4.26Å; L430-D432 PolarHBondContact O-N 3.38Å; L430-I433 PolarHBondContact O-N 2.69Å; L430-I434 HydrophobicContact CD2-CD1 4.23Å; L430-I434 HydrophobicContact CG-CD1 3.98Å; L430-I434 WeakPolarHBondContact O-CG1 3.41Å; L430-I434 PolarHBondContact O-N 2.98Å; L430-I434 VanDerWaalsContact O-N 3.09Å; L430-L448 HydrophobicContact CD1-CD1 3.81Å; L430-L448 HydrophobicContact CD1-CD2 3.76Å; L430-L448 HydrophobicContact CD1-CG 3.67Å; L430-F449 HydrophobicContact CD2-CD2 4.15Å; L430-F452 HydrophobicContact CD2-CB 3.65Å; L430-F452 HydrophobicContact CD2-CD1 3.65Å; L430-F452 HydrophobicContact CD2-CD2 3.97Å; L430-F452 HydrophobicContact CD2-CE1 4.28Å; L430-F452 HydrophobicContact CD2-CG 3.47Å; L430-F452 VanDerWaalsContact CD2-CG 3.47Å; L430-Y468 HydrophobicContact CB-CE1 4.03Å; L430-Y468 HydrophobicContact CD2-CE1 4.09Å; L430-Y468 HydrophobicContact CG-CE1 4.31Å
431L91.9Very high87.8Confident44 Ų4466.4 Ų66.423%0.2337%0.368CS..Hα-helixtrans-63.7-31.4-179.7-167.467.8000112S429 I434 S435 Y468 A471S429-L431 PolarHBondContact O-N 3.28Å; S429-L431 PolarHBondContact OG-N 3.49Å; L431-I434 PolarHBondContact O-N 3.45Å; L431-S435 VanDerWaalsContact O-CB 3.27Å; L431-S435 WeakPolarHBondContact O-CB 3.49Å; L431-S435 PolarHBondContact O-N 2.9Å; L431-S435 PolarHBondContact O-OG 2.9Å; L431-Y468 HydrophobicContact CB-CE1 3.99Å; L431-Y468 HydrophobicContact CD1-CD1 3.82Å; L431-Y468 HydrophobicContact CD1-CE1 4.04Å; L431-A471 HydrophobicContact CD1-CB 3.74Å
432D91.5Very high88.3Confident95 Ų9566.8 Ų66.851%0.50837%0.374SS..Hα-helixtrans-67.1-42.4-179.9-58.8-23.4000110.7S429 L430 S435 D436S429-D432 WeakPolarHBondContact CB-OD2 3.36Å; S429-D432 PolarHBondContact N-OD2 2.94Å; S429-D432 WeakPolarHBondContact O-CB 3.47Å; S429-D432 PolarHBondContact O-N 2.95Å; L430-D432 PolarHBondContact O-N 3.38Å; D432-S435 PolarHBondContact O-N 3.13Å; D432-D436 PolarHBondContact O-N 2.77Å; D432-D436 VanDerWaalsContact O-N 3.13Å
433I92.4Very high88.8Confident16 Ų1668 Ų688%0.08238%0.375CS..Hα-helixtrans-69.8-43.4177-62.6-59.5000111.1V412 Y413 Y416 L430 S435 D436 L448V412-I433 HydrophobicContact CG1-CD1 3.85Å; Y413-I433 HydrophobicContact CE1-CG2 4.1Å; Y413-I433 HydrophobicContact CE2-CG2 4.44Å; Y416-I433 HydrophobicContact CD1-CG1 4.3Å; Y416-I433 HydrophobicContact CD2-CG1 4.43Å; Y416-I433 HydrophobicContact CE1-CG1 3.7Å; Y416-I433 HydrophobicContact CE2-CD1 3.99Å; Y416-I433 HydrophobicContact CE2-CG1 3.85Å; Y416-I433 VanDerWaalsContact CZ-CG1 3.42Å; Y416-I433 WeakPolarHBondContact OH-CG1 3.23Å; L430-I433 PolarHBondContact O-N 2.69Å; I433-S435 PolarHBondContact O-N 3.32Å; I433-D436 PolarHBondContact O-N 2.94Å; I433-L448 HydrophobicContact CB-CD2 4.31Å; I433-L448 HydrophobicContact CG2-CD2 3.66Å
434I93.5Very high89.5Confident0 Ų060.4 Ų60.40%034%0.342CS..Hα-helixtrans-60.8-39.2177.7-69.1168.9000110.4L430 L431 K445 F449 Y468 A471 L472 T475L430-I434 HydrophobicContact CD2-CD1 4.23Å; L430-I434 HydrophobicContact CG-CD1 3.98Å; L430-I434 WeakPolarHBondContact O-CG1 3.41Å; L430-I434 PolarHBondContact O-N 2.98Å; L430-I434 VanDerWaalsContact O-N 3.09Å; L431-I434 PolarHBondContact O-N 3.45Å; I434-K445 VanDerWaalsContact O-CD 3.25Å; I434-K445 WeakPolarHBondContact O-CD 3.49Å; I434-K445 WeakPolarHBondContact O-CE 3.41Å; I434-K445 PolarHBondContact O-NZ 3.44Å; I434-F449 HydrophobicContact CD1-CB 4.22Å; I434-F449 HydrophobicContact CD1-CD2 4.01Å; I434-F449 HydrophobicContact CD1-CG 4.5Å; I434-Y468 HydrophobicContact CD1-CD1 3.83Å; I434-Y468 HydrophobicContact CD1-CE1 4.2Å; I434-A471 HydrophobicContact CG2-CB 3.97Å; I434-L472 HydrophobicContact CD1-CD2 4.5Å; I434-L472 HydrophobicContact CG2-CD2 3.8Å; I434-L472 HydrophobicContact CG2-CG 4.13Å; I434-T475 WeakPolarHBondContact O-CG2 3.38Å
435S93.3Very high90.1Very high61 Ų6158.2 Ų58.243%0.42733%0.326SS..Hα-helixtrans-83.6-11.3-176-50.80000114.1L431 D432 I433 P437L431-S435 VanDerWaalsContact O-CB 3.27Å; L431-S435 WeakPolarHBondContact O-CB 3.49Å; L431-S435 PolarHBondContact O-N 2.9Å; L431-S435 PolarHBondContact O-OG 2.9Å; D432-S435 PolarHBondContact O-N 3.13Å; I433-S435 PolarHBondContact O-N 3.32Å; S435-P437 WeakPolarHBondContact O-CD 3.42Å
436D92.5Very high91Very high44 Ų4452.4 Ų52.424%0.23529%0.29CS..  trans-67.9114.9-179.9-177.2-7.4000110.6K409 D432 I433 D438 A439 K445K409-D436 IonicContact NZ-OD2 2.7Å; K409-D436 PolarHBondContact NZ-OD2 3.28Å; D432-D436 PolarHBondContact O-N 2.77Å; D432-D436 VanDerWaalsContact O-N 3.13Å; I433-D436 PolarHBondContact O-N 2.94Å; D436-D438 PolarHBondContact O-N 2.98Å; D436-D438 WeakPolarHBondContact OD1-CA 3.2Å; D436-D438 WeakPolarHBondContact OD1-CB 3.34Å; D436-D438 PolarHBondContact OD1-N 2.73Å; D436-A439 HydrophobicContact CB-CB 3.91Å; D436-A439 PolarHBondContact O-N 2.96Å; D436-A439 WeakPolarHBondContact OD2-CB 3.49Å; D436-K445 WeakPolarHBondContact O-CE 3.43Å; D436-K445 PolarHBondContact O-NZ 2.78Å
437P89.9Confident91.8Very high113 Ų11350 Ų5073%0.73428%0.277SS*.THydrogen-bonded Turntrans-70.4-20.2-18030.8-35.7000113.1S435S435-P437 WeakPolarHBondContact O-CD 3.42Å
438D90.3Very high92.9Very high118 Ų11842.6 Ų42.663%0.63124%0.243SC*.THydrogen-bonded Turntrans-962.6-177.1-60.8-39.9000112.4K409 D436K409-D438 WeakPolarHBondContact CD-O 3.46Å; K409-D438 WeakPolarHBondContact CE-O 3.4Å; K409-D438 PolarHBondContact NZ-O 3.19Å; K409-D438 VanDerWaalsContact NZ-O 3.07Å; D436-D438 PolarHBondContact O-N 2.98Å; D436-D438 WeakPolarHBondContact OD1-CA 3.2Å; D436-D438 WeakPolarHBondContact OD1-CB 3.34Å; D436-D438 PolarHBondContact OD1-N 2.73Å
439A91.6Very high93.7Very high2 Ų235.9 Ų35.92%0.01721%0.213CC..SBendtrans-124117.5-177.500000112.2K409 Y413 D436 K445K409-A439 HydrophobicContact CD-CB 3.85Å; Y413-A439 HydrophobicContact CE2-CB 4.21Å; Y413-A439 PolarHBondContact OH-O 2.85Å; D436-A439 HydrophobicContact CB-CB 3.91Å; D436-A439 PolarHBondContact O-N 2.96Å; D436-A439 WeakPolarHBondContact OD2-CB 3.49Å; A439-K445 WeakPolarHBondContact O-CE 3.28Å
440G93.4Very high94.2Very high18 Ų1833.3 Ų33.319%0.18620%0.196CC..  trans71162.2173.300000114.5R408R408-G440 VanDerWaalsContact O-CA 3.25Å; R408-G440 WeakPolarHBondContact O-CA 3.12Å; R408-G440 PolarHBondContact O-N 3.41Å
441T96.2Very high94.5Very high47 Ų4733.1 Ų33.129%0.28820%0.195SC..  trans-81.8168.9169.364.70000110.8R408 E443 D444 K445R408-T441 HydrophobicContact CG-CG2 4.06Å; T441-E443 PolarHBondContact O-N 3.27Å; T441-E443 PolarHBondContact OG1-N 2.69Å; T441-D444 WeakPolarHBondContact CB-OD2 3.2Å; T441-D444 PolarHBondContact N-OD2 3.09Å; T441-D444 PolarHBondContact O-N 3.34Å; T441-D444 VanDerWaalsContact O-N 3.08Å; T441-D444 PolarHBondContact OG1-N 3.27Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å; T441-K445 WeakPolarHBondContact O-CG 3.31Å; T441-K445 PolarHBondContact O-N 3.04Å; T441-K445 VanDerWaalsContact O-N 3.12Å
442P96.4Very high94.6Very high59 Ų5933 Ų3338%0.38319%0.192SC..Hα-helixtrans-55.3-33.5170-24.634.6000112.4M446 T475 C477P442-M446 WeakPolarHBondContact O-CB 3.4Å; P442-M446 PolarHBondContact O-N 3.23Å; P442-T475 WeakPolarHBondContact CG-O 3.43Å; P442-C477 PolarHBondContact O-SG 2.89Å
443E96.3Very high94.8Very high65 Ų6529.2 Ų29.230%0.30417%0.171SC..Hα-helixtrans-64.8-44.4175.7-167.3179.1117.400111.6T441 K445 M446 R447 G622 I625T441-E443 PolarHBondContact O-N 3.27Å; T441-E443 PolarHBondContact OG1-N 2.69Å; E443-K445 VanDerWaalsContact C-N 3.35Å; E443-K445 PolarHBondContact O-N 3.4Å; E443-M446 PolarHBondContact O-N 3Å; E443-R447 VanDerWaalsContact O-CG 3.28Å; E443-R447 WeakPolarHBondContact O-CG 3.34Å; E443-R447 PolarHBondContact O-N 3.04Å; E443-G622 WeakPolarHBondContact OE1-CA 3.34Å; E443-G622 PolarHBondContact OE1-N 3.28Å; E443-I625 HydrophobicContact CG-CD1 3.65Å
444D97.5Very high94.8Very high0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-62.8-42179.4-58.5-37.6000112H263 R408 Y413 T441 M446 R447 L448H263-D444 IonicContact CE1-OD1 3.29Å; H263-D444 IonicContact NE2-OD1 2.69Å; H263-D444 PolarHBondContact NE2-OD1 3.13Å; R408-D444 IonicContact CZ-OD1 3.9Å; R408-D444 IonicContact CZ-OD2 3.97Å; R408-D444 IonicContact NE-OD1 2.96Å; R408-D444 IonicContact NE-OD2 3.93Å; R408-D444 PolarHBondContact NE-OD2 3.41Å; R408-D444 IonicContact NH2-OD1 3.25Å; R408-D444 PolarHBondContact NH2-OD1 3.15Å; R408-D444 IonicContact NH2-OD2 3.48Å; R408-D444 PolarHBondContact NH2-OD2 3.45Å; Y413-D444 HydrophobicContact CD1-CB 4.12Å; Y413-D444 HydrophobicContact CE1-CB 3.83Å; Y413-D444 WeakPolarHBondContact CE1-O 3.34Å; Y413-D444 HydrophobicContact CE2-CB 4.42Å; T441-D444 WeakPolarHBondContact CB-OD2 3.2Å; T441-D444 PolarHBondContact N-OD2 3.09Å; T441-D444 PolarHBondContact O-N 3.34Å; T441-D444 VanDerWaalsContact O-N 3.08Å; T441-D444 PolarHBondContact OG1-N 3.27Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å; D444-M446 VanDerWaalsContact C-N 3.35Å; D444-R447 WeakPolarHBondContact O-CB 3.21Å; D444-R447 PolarHBondContact O-N 3.25Å; D444-R447 IonicContact OD1-NH1 3.44Å; D444-L448 WeakPolarHBondContact O-CB 3.33Å; D444-L448 PolarHBondContact O-N 3.21Å
445K97.1Very high94.6Very high9 Ų931.1 Ų31.14%0.03918%0.182CC..Hα-helixtrans-62.9-43.1175.8-67.1174.2177.4-159.80111.5Y413 I434 D436 A439 T441 E443 F449 L472 T475Y413-K445 HydrophobicContact CE1-CG 4.44Å; Y413-K445 WeakPolarHBondContact OH-CG 3.4Å; I434-K445 VanDerWaalsContact O-CD 3.25Å; I434-K445 WeakPolarHBondContact O-CD 3.49Å; I434-K445 WeakPolarHBondContact O-CE 3.41Å; I434-K445 PolarHBondContact O-NZ 3.44Å; D436-K445 WeakPolarHBondContact O-CE 3.43Å; D436-K445 PolarHBondContact O-NZ 2.78Å; A439-K445 WeakPolarHBondContact O-CE 3.28Å; T441-K445 WeakPolarHBondContact O-CG 3.31Å; T441-K445 PolarHBondContact O-N 3.04Å; T441-K445 VanDerWaalsContact O-N 3.12Å; E443-K445 VanDerWaalsContact C-N 3.35Å; E443-K445 PolarHBondContact O-N 3.4Å; K445-F449 WeakPolarHBondContact O-CB 3.43Å; K445-F449 PolarHBondContact O-N 3.42Å; K445-L472 HydrophobicContact CB-CD2 4.21Å; K445-T475 HydrophobicContact CD-CG2 4.13Å
446M97.3Very high94.3Very high5 Ų529.2 Ų29.23%0.02517%0.171CC..Hα-helixtrans-65-45.6175.5-176.85662.500111.4P442 E443 D444 L448 F449 L450 L472 C477 D478 L479P442-M446 WeakPolarHBondContact O-CB 3.4Å; P442-M446 PolarHBondContact O-N 3.23Å; E443-M446 PolarHBondContact O-N 3Å; D444-M446 VanDerWaalsContact C-N 3.35Å; M446-L448 PolarHBondContact O-N 3.18Å; M446-F449 PolarHBondContact O-N 2.77Å; M446-L450 HydrophobicContact CG-CD1 4.05Å; M446-L450 HydrophobicContact CG-CG 4.16Å; M446-L450 WeakPolarHBondContact O-CB 3.5Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.19Å; M446-L450 PolarHBondContact O-N 2.83Å; M446-L450 HydrophobicContact SD-CD1 4.24Å; M446-L450 HydrophobicContact SD-CD2 4.03Å; M446-L450 HydrophobicContact SD-CG 3.86Å; M446-L472 HydrophobicContact CE-CD1 4.07Å; M446-L472 HydrophobicContact CE-CD2 4.33Å; M446-C477 HydrophobicContact CE-CB 3.65Å; M446-D478 WeakPolarHBondContact CE-O 3.33Å; M446-L479 HydrophobicContact CE-CD2 3.99Å
447R97.1Very high93.7Very high0 Ų033.7 Ų33.70%019%0.194CC..Hα-helixtrans-52.8-54.9175.8-74166.968.116911.2111.5L261 H262 H263 D273 E443 D444 F449 L450 I451 I625L261-R447 PolarHBondContact O-NE 2.93Å; L261-R447 PolarHBondContact O-NH2 2.69Å; H262-R447 VanDerWaalsContact C-NH2 3.34Å; H262-R447 PolarHBondContact O-NH2 3.3Å; H263-R447 PolarHBondContact CD2-NH1 3.34Å; H263-R447 PolarHBondContact NE2-NH1 2.96Å; D273-R447 IonicContact OD1-CZ 3.5Å; D273-R447 IonicContact OD1-NH1 3.03Å; D273-R447 PolarHBondContact OD1-NH1 3.3Å; D273-R447 IonicContact OD1-NH2 3.32Å; D273-R447 PolarHBondContact OD1-NH2 2.94Å; D273-R447 IonicContact OD2-CZ 3.81Å; D273-R447 IonicContact OD2-NH1 2.63Å; D273-R447 PolarHBondContact OD2-NH1 3.49Å; D273-R447 IonicContact OD2-NH2 3.57Å; D273-R447 PolarHBondContact OD2-NH2 3.42Å; E443-R447 VanDerWaalsContact O-CG 3.28Å; E443-R447 WeakPolarHBondContact O-CG 3.34Å; E443-R447 PolarHBondContact O-N 3.04Å; D444-R447 WeakPolarHBondContact O-CB 3.21Å; D444-R447 PolarHBondContact O-N 3.25Å; D444-R447 IonicContact OD1-NH1 3.44Å; R447-F449 VanDerWaalsContact C-N 3.3Å; R447-F449 PolarHBondContact O-N 2.75Å; R447-L450 PolarHBondContact O-N 3.22Å; R447-I451 VanDerWaalsContact O-CG1 3.31Å; R447-I451 WeakPolarHBondContact O-CG1 3.46Å; R447-I451 PolarHBondContact O-N 3.44Å; R447-I625 HydrophobicContact CG-CD1 3.26Å; R447-I625 HydrophobicContact CG-CG1 4.42Å
448L96.6Very high93.2Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-56.2-45.5179.5173.461.2000111.5Y413 E417 L420 L430 I433 D444 M446 I451 F452Y413-L448 HydrophobicContact CD1-CB 3.96Å; Y413-L448 HydrophobicContact CD1-CD2 3.87Å; Y413-L448 HydrophobicContact CD1-CG 4.45Å; Y413-L448 HydrophobicContact CE1-CB 4.12Å; Y413-L448 HydrophobicContact CE1-CD2 3.81Å; E417-L448 HydrophobicContact CG-CD1 3.66Å; L420-L448 HydrophobicContact CD1-CD1 3.82Å; L430-L448 HydrophobicContact CD1-CD1 3.81Å; L430-L448 HydrophobicContact CD1-CD2 3.76Å; L430-L448 HydrophobicContact CD1-CG 3.67Å; I433-L448 HydrophobicContact CB-CD2 4.31Å; I433-L448 HydrophobicContact CG2-CD2 3.66Å; D444-L448 WeakPolarHBondContact O-CB 3.33Å; D444-L448 PolarHBondContact O-N 3.21Å; M446-L448 PolarHBondContact O-N 3.18Å; L448-I451 PolarHBondContact O-N 2.96Å; L448-F452 PolarHBondContact O-N 3.33Å
449F96.6Very high92.6Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-66.8-41.1178.6-175-104.2000112.9L430 I434 K445 M446 R447 F452 Y453 L465 Y468 L472 L482L430-F449 HydrophobicContact CD2-CD2 4.15Å; I434-F449 HydrophobicContact CD1-CB 4.22Å; I434-F449 HydrophobicContact CD1-CD2 4.01Å; I434-F449 HydrophobicContact CD1-CG 4.5Å; K445-F449 WeakPolarHBondContact O-CB 3.43Å; K445-F449 PolarHBondContact O-N 3.42Å; M446-F449 PolarHBondContact O-N 2.77Å; R447-F449 VanDerWaalsContact C-N 3.3Å; R447-F449 PolarHBondContact O-N 2.75Å; F449-F452 HydrophobicContact CD2-CD1 4.12Å; F449-F452 AromaticContact CE2-CD1 3.91Å; F449-F452 HydrophobicContact CE2-CD1 3.91Å; F449-F452 HydrophobicContact CE2-CE1 4.23Å; F449-F452 WeakPolarHBondContact O-CB 3.31Å; F449-F452 PolarHBondContact O-N 3.09Å; F449-Y453 WeakPolarHBondContact O-CB 3.48Å; F449-Y453 PolarHBondContact O-N 3.2Å; F449-L465 HydrophobicContact CE1-CD1 4.31Å; F449-L465 HydrophobicContact CZ-CD1 3.75Å; F449-Y468 HydrophobicContact CD2-CD1 4.09Å; F449-Y468 HydrophobicContact CD2-CG 4.09Å; F449-Y468 VanDerWaalsContact CE2-CB 3.43Å; F449-Y468 AromaticContact CE2-CD1 3.86Å; F449-Y468 HydrophobicContact CE2-CD1 3.86Å; F449-Y468 AromaticContact CE2-CD2 3.75Å; F449-Y468 HydrophobicContact CE2-CD2 3.75Å; F449-Y468 HydrophobicContact CE2-CE2 4.49Å; F449-Y468 AromaticContact CE2-CG 3.41Å; F449-Y468 HydrophobicContact CE2-CG 3.41Å; F449-Y468 VanDerWaalsContact CE2-CG 3.41Å; F449-Y468 HydrophobicContact CZ-CD2 4.41Å; F449-Y468 HydrophobicContact CZ-CG 4.17Å; F449-L472 HydrophobicContact CB-CD1 4.14Å; F449-L472 HydrophobicContact CB-CD2 4.39Å; F449-L472 HydrophobicContact CD1-CD1 3.61Å; F449-L472 HydrophobicContact CD2-CD1 4.39Å; F449-L472 HydrophobicContact CE1-CD1 4.12Å; F449-L472 HydrophobicContact CG-CD1 3.76Å; F449-L482 HydrophobicContact CD1-CD1 4.21Å; F449-L482 HydrophobicContact CD1-CD2 4.33Å; F449-L482 HydrophobicContact CE1-CD1 3.61Å; F449-L482 HydrophobicContact CE1-CD2 3.65Å; F449-L482 HydrophobicContact CE1-CG 4.23Å
450L97Very high92.3Very high0 Ų032.7 Ų32.70%018%0.182CC..Hα-helixtrans-63.7-42175.8-68.9-177.6000111.1L261 M446 R447 Y453 I454 L482 I485 L628L261-L450 HydrophobicContact CD1-CB 3.67Å; L261-L450 HydrophobicContact CD1-CD1 4.04Å; L261-L450 HydrophobicContact CD2-CD1 4.48Å; M446-L450 HydrophobicContact CG-CD1 4.05Å; M446-L450 HydrophobicContact CG-CG 4.16Å; M446-L450 WeakPolarHBondContact O-CB 3.5Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.19Å; M446-L450 PolarHBondContact O-N 2.83Å; M446-L450 HydrophobicContact SD-CD1 4.24Å; M446-L450 HydrophobicContact SD-CD2 4.03Å; M446-L450 HydrophobicContact SD-CG 3.86Å; R447-L450 PolarHBondContact O-N 3.22Å; L450-Y453 PolarHBondContact O-N 2.68Å; L450-I454 WeakPolarHBondContact O-CB 3.3Å; L450-I454 WeakPolarHBondContact O-CD1 3.13Å; L450-I454 WeakPolarHBondContact O-CG1 3.39Å; L450-I454 PolarHBondContact O-N 3.08Å; L450-L482 HydrophobicContact CD2-CB 4.16Å; L450-L482 HydrophobicContact CD2-CD1 4.16Å; L450-I485 HydrophobicContact CD2-CB 4.18Å; L450-I485 HydrophobicContact CD2-CG1 4.02Å; L450-I485 HydrophobicContact CD2-CG2 4.39Å; L450-L628 HydrophobicContact CD1-CD1 4.45Å
451I95.9Very high92.1Very high0 Ų034.3 Ų34.30%019%0.19CC..Hα-helixtrans-60.3-47.7174.7-68.3162.9000110.6L261 E417 L420 M421 R447 L448 Y453 I454 T455L261-I451 HydrophobicContact CB-CD1 4.07Å; L261-I451 HydrophobicContact CB-CG1 3.84Å; E417-I451 HydrophobicContact CB-CD1 4.17Å; E417-I451 HydrophobicContact CG-CD1 3.67Å; L420-I451 HydrophobicContact CB-CG2 4.29Å; L420-I451 HydrophobicContact CD1-CG2 4.43Å; M421-I451 HydrophobicContact CG-CG2 4.01Å; R447-I451 VanDerWaalsContact O-CG1 3.31Å; R447-I451 WeakPolarHBondContact O-CG1 3.46Å; R447-I451 PolarHBondContact O-N 3.44Å; L448-I451 PolarHBondContact O-N 2.96Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.13Å; I451-I454 PolarHBondContact O-N 3.33Å; I451-T455 HydrophobicContact CG2-CG2 4.3Å; I451-T455 WeakPolarHBondContact O-CB 3.43Å; I451-T455 WeakPolarHBondContact O-CG2 3.3Å; I451-T455 PolarHBondContact O-N 2.95Å; I451-T455 PolarHBondContact O-OG1 3.24Å
452F94.8Very high91.8Very high41 Ų4139.9 Ų39.918%0.1821%0.213CC..Hα-helixtrans-54.9-50.1173.5165.5-105.5000111L420 L430 L448 F449 I454 T455 A456 P460 Y468L420-F452 HydrophobicContact CD1-CB 3.84Å; L420-F452 HydrophobicContact CD2-CB 4.38Å; L420-F452 HydrophobicContact CD2-CD2 3.78Å; L430-F452 HydrophobicContact CD2-CB 3.65Å; L430-F452 HydrophobicContact CD2-CD1 3.65Å; L430-F452 HydrophobicContact CD2-CD2 3.97Å; L430-F452 HydrophobicContact CD2-CE1 4.28Å; L430-F452 HydrophobicContact CD2-CG 3.47Å; L430-F452 VanDerWaalsContact CD2-CG 3.47Å; L448-F452 PolarHBondContact O-N 3.33Å; F449-F452 HydrophobicContact CD2-CD1 4.12Å; F449-F452 AromaticContact CE2-CD1 3.91Å; F449-F452 HydrophobicContact CE2-CD1 3.91Å; F449-F452 HydrophobicContact CE2-CE1 4.23Å; F449-F452 WeakPolarHBondContact O-CB 3.31Å; F449-F452 PolarHBondContact O-N 3.09Å; F452-I454 PolarHBondContact O-N 3.46Å; F452-T455 PolarHBondContact O-N 3.17Å; F452-T455 PolarHBondContact O-OG1 3.21Å; F452-A456 VanDerWaalsContact O-CB 3.27Å; F452-A456 WeakPolarHBondContact O-CB 3.48Å; F452-A456 PolarHBondContact O-N 3.12Å; F452-P460 HydrophobicContact CE1-CG 4.41Å; F452-Y468 HydrophobicContact CE1-CE2 4.4Å
453Y94.3Very high91.6Very high16 Ų1641.6 Ų41.66%0.06322%0.222CC..Hα-helixtrans-65.5-38.5-177.5-169.4-87.8000112F449 L450 I451 P459 P460 L465 L482 I485 K486 K489F449-Y453 WeakPolarHBondContact O-CB 3.48Å; F449-Y453 PolarHBondContact O-N 3.2Å; L450-Y453 PolarHBondContact O-N 2.68Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.13Å; Y453-P459 HydrophobicContact CE2-CB 4.34Å; Y453-P460 HydrophobicContact CD2-CG 4.2Å; Y453-P460 HydrophobicContact CE2-CG 4.2Å; Y453-L465 HydrophobicContact CE2-CD1 4.45Å; Y453-L482 HydrophobicContact CD2-CD1 4.46Å; Y453-L482 HydrophobicContact CG-CD1 4.37Å; Y453-I485 HydrophobicContact CD1-CG2 3.68Å; Y453-I485 HydrophobicContact CE1-CG2 4.24Å; Y453-K486 HydrophobicContact CE1-CG 4.08Å; Y453-K486 HydrophobicContact CE2-CG 4.36Å; Y453-K489 HydrophobicContact CD1-CD 3.91Å; Y453-K489 HydrophobicContact CE1-CB 4.03Å; Y453-K489 HydrophobicContact CE1-CD 3.57Å; Y453-K489 HydrophobicContact CE1-CG 4.33Å; Y453-K489 WeakPolarHBondContact O-CD 3.46Å; Y453-K489 WeakPolarHBondContact O-CE 3.4Å; Y453-K489 PolarHBondContact O-NZ 2.73Å
454I92.8Very high91.3Very high21 Ų2141.8 Ų41.811%0.10823%0.226CC..Hα-helixtrans-69.4-47179.4-69.5160.6000110.6L257 A258 L261 L450 I451 F452 I485 W488 K489L257-I454 HydrophobicContact CB-CD1 3.97Å; A258-I454 HydrophobicContact CB-CB 4.49Å; A258-I454 HydrophobicContact CB-CG2 3.92Å; L261-I454 HydrophobicContact CD1-CD1 3.83Å; L450-I454 WeakPolarHBondContact O-CB 3.3Å; L450-I454 WeakPolarHBondContact O-CD1 3.13Å; L450-I454 WeakPolarHBondContact O-CG1 3.39Å; L450-I454 PolarHBondContact O-N 3.08Å; I451-I454 PolarHBondContact O-N 3.33Å; F452-I454 PolarHBondContact O-N 3.46Å; I454-I485 HydrophobicContact CD1-CD1 4.15Å; I454-I485 HydrophobicContact CD1-CG2 4.34Å; I454-I485 HydrophobicContact CG1-CG2 3.77Å; I454-W488 HydrophobicContact CG1-CZ3 4.24Å; I454-W488 HydrophobicContact CG2-CH2 4.15Å; I454-W488 HydrophobicContact CG2-CZ3 4.02Å; I454-K489 PolarHBondContact O-NZ 3.18Å
455T89.9Confident91.1Very high34 Ų3442.3 Ų42.321%0.20923%0.228CC..Hα-helixtrans-79.1-19.6-173.859.30000114A258 M421 I451 F452 L457A258-T455 HydrophobicContact CB-CG2 4.25Å; M421-T455 HydrophobicContact CG-CG2 4.3Å; I451-T455 HydrophobicContact CG2-CG2 4.3Å; I451-T455 WeakPolarHBondContact O-CB 3.43Å; I451-T455 WeakPolarHBondContact O-CG2 3.3Å; I451-T455 PolarHBondContact O-N 2.95Å; I451-T455 PolarHBondContact O-OG1 3.24Å; F452-T455 PolarHBondContact O-N 3.17Å; F452-T455 PolarHBondContact O-OG1 3.21Å; T455-L457 PolarHBondContact O-N 3.38Å
456A86.9Confident90.9Very high22 Ų2246 Ų4618%0.18225%0.249CC..  trans-59.1132.617900000112.9F452 Q458 K489F452-A456 VanDerWaalsContact O-CB 3.27Å; F452-A456 WeakPolarHBondContact O-CB 3.48Å; F452-A456 PolarHBondContact O-N 3.12Å; A456-Q458 VanDerWaalsContact C-N 3.29Å; A456-Q458 WeakPolarHBondContact CB-O 3.4Å; A456-Q458 PolarHBondContact O-N 3.4Å; A456-K489 PolarHBondContact O-NZ 3.03Å
457L79.9Confident90.8Very high137 Ų13751 Ų5172%0.71727%0.272SS*.SBendtrans-63.8-36.3177.8-69.7172.3000112.4T455T455-L457 PolarHBondContact O-N 3.38Å
458Q79.3Confident90.7Very high134 Ų13452.7 Ų52.763%0.62628%0.278SS*.SBendtrans-127.7145.3174.7-63.7-59.2-18.500109.5A456A456-Q458 VanDerWaalsContact C-N 3.29Å; A456-Q458 WeakPolarHBondContact CB-O 3.4Å; A456-Q458 PolarHBondContact O-N 3.4Å
459P78.8Confident90.7Very high57 Ų5754.8 Ų54.837%0.3729%0.288SS..PPolyproline II helixtrans-59.7147.3173.627.8-34.6000109.6Y453Y453-P459 HydrophobicContact CE2-CB 4.34Å
460P85.3Confident90.7Very high22 Ų2261 Ų6114%0.14332%0.315CS..PPolyproline II helixtrans-56.2154.7170.724.8-33.6000110.4F452 Y453 D464 L465F452-P460 HydrophobicContact CE1-CG 4.41Å; Y453-P460 HydrophobicContact CD2-CG 4.2Å; Y453-P460 HydrophobicContact CE2-CG 4.2Å; P460-D464 HydrophobicContact CB-CB 4.27Å; P460-L465 HydrophobicContact CG-CB 4.13Å; P460-L465 HydrophobicContact CG-CD1 4.08Å
461S88.8Confident90.6Very high51 Ų5161.3 Ų61.336%0.35732%0.317SS..PPolyproline II helixtrans-56.8154.1172.974.10000110.2T463 D464 L465S461-T463 PolarHBondContact O-N 3Å; S461-T463 PolarHBondContact OG-OG1 3.09Å; S461-D464 PolarHBondContact O-N 3.22Å; S461-D464 WeakPolarHBondContact OG-CB 3.38Å; S461-D464 PolarHBondContact OG-N 3.47Å; S461-D464 VanDerWaalsContact OG-N 3.15Å; S461-D464 PolarHBondContact OG-OD2 3Å; S461-L465 VanDerWaalsContact O-CB 3.3Å; S461-L465 WeakPolarHBondContact O-CB 3.43Å; S461-L465 PolarHBondContact O-N 2.86Å
462E89.6Confident90.6Very high165 Ų16561.3 Ų61.377%0.77132%0.317SS*.Hα-helixtrans-58.1-37.9179.5-69.3-172.4160.300111.8L465 D466E462-L465 PolarHBondContact O-N 3.05Å; E462-D466 WeakPolarHBondContact O-CB 3.35Å; E462-D466 VanDerWaalsContact O-CG 3.3Å; E462-D466 PolarHBondContact O-N 3.21Å
463T91.3Very high90.7Very high94 Ų9464.2 Ų64.258%0.57733%0.334SS*.Hα-helixtrans-63.6-44.8176.4470000112.6S461 D466 Q467S461-T463 PolarHBondContact O-N 3Å; S461-T463 PolarHBondContact OG-OG1 3.09Å; T463-D466 PolarHBondContact O-N 2.96Å; T463-Q467 WeakPolarHBondContact O-CG 3.48Å; T463-Q467 PolarHBondContact O-N 3.38Å
464D90.7Very high90.8Very high70 Ų7070.1 Ų70.137%0.37436%0.362SS..Hα-helixtrans-69-41.2178.4-59-31.8000110.3P460 S461 D466 Q467 Y468P460-D464 HydrophobicContact CB-CB 4.27Å; S461-D464 PolarHBondContact O-N 3.22Å; S461-D464 WeakPolarHBondContact OG-CB 3.38Å; S461-D464 PolarHBondContact OG-N 3.47Å; S461-D464 VanDerWaalsContact OG-N 3.15Å; S461-D464 PolarHBondContact OG-OD2 3Å; D464-D466 VanDerWaalsContact C-N 3.3Å; D464-D466 PolarHBondContact O-N 2.83Å; D464-Q467 WeakPolarHBondContact O-CB 3.48Å; D464-Q467 PolarHBondContact O-N 2.91Å; D464-Y468 HydrophobicContact CB-CE2 4.4Å; D464-Y468 WeakPolarHBondContact O-CD2 3.41Å; D464-Y468 PolarHBondContact O-N 3.42Å
465L92.8Very high90.8Very high11 Ų1170.9 Ų70.96%0.05837%0.368CS..Hα-helixtrans-60.4-40.4178.5-177.759000111.6F449 Y453 P460 S461 E462 Y468 K469 K486F449-L465 HydrophobicContact CE1-CD1 4.31Å; F449-L465 HydrophobicContact CZ-CD1 3.75Å; Y453-L465 HydrophobicContact CE2-CD1 4.45Å; P460-L465 HydrophobicContact CG-CB 4.13Å; P460-L465 HydrophobicContact CG-CD1 4.08Å; S461-L465 VanDerWaalsContact O-CB 3.3Å; S461-L465 WeakPolarHBondContact O-CB 3.43Å; S461-L465 PolarHBondContact O-N 2.86Å; E462-L465 PolarHBondContact O-N 3.05Å; L465-Y468 PolarHBondContact O-N 3.19Å; L465-K469 WeakPolarHBondContact O-CG 3.34Å; L465-K469 PolarHBondContact O-N 3.23Å; L465-K486 HydrophobicContact CD2-CD 4.49Å
466D94.4Very high91Very high87 Ų8772 Ų7247%0.46539%0.386SS..Hα-helixtrans-69.2-32.8177.6-73.5-17.5000112.6E462 T463 D464 K469 K470E462-D466 WeakPolarHBondContact O-CB 3.35Å; E462-D466 VanDerWaalsContact O-CG 3.3Å; E462-D466 PolarHBondContact O-N 3.21Å; T463-D466 PolarHBondContact O-N 2.96Å; D464-D466 VanDerWaalsContact C-N 3.3Å; D464-D466 PolarHBondContact O-N 2.83Å; D466-K469 PolarHBondContact O-N 3.04Å; D466-K469 IonicContact OD1-NZ 2.74Å; D466-K469 PolarHBondContact OD1-NZ 3.23Å; D466-K470 WeakPolarHBondContact O-CB 3.4Å; D466-K470 PolarHBondContact O-N 2.92Å
467Q94.7Very high91.3Very high110 Ų11071.3 Ų71.351%0.51438%0.38SS..Hα-helixtrans-62.7-46.5170.4-68.6175.318.900111.4T463 D464 K469 K470 A471T463-Q467 WeakPolarHBondContact O-CG 3.48Å; T463-Q467 PolarHBondContact O-N 3.38Å; D464-Q467 WeakPolarHBondContact O-CB 3.48Å; D464-Q467 PolarHBondContact O-N 2.91Å; Q467-K469 PolarHBondContact O-N 2.84Å; Q467-K470 PolarHBondContact O-N 3.13Å; Q467-A471 PolarHBondContact O-N 3.42Å
468Y95.4Very high92Very high34 Ų3468.5 Ų68.513%0.13337%0.365CS..Hα-helixtrans-61.9-44.4176.6-73.2-65.3000112.3L430 L431 I434 F449 F452 D464 L465 K470 A471 L472L430-Y468 HydrophobicContact CB-CE1 4.03Å; L430-Y468 HydrophobicContact CD2-CE1 4.09Å; L430-Y468 HydrophobicContact CG-CE1 4.31Å; L431-Y468 HydrophobicContact CB-CE1 3.99Å; L431-Y468 HydrophobicContact CD1-CD1 3.82Å; L431-Y468 HydrophobicContact CD1-CE1 4.04Å; I434-Y468 HydrophobicContact CD1-CD1 3.83Å; I434-Y468 HydrophobicContact CD1-CE1 4.2Å; F449-Y468 HydrophobicContact CD2-CD1 4.09Å; F449-Y468 HydrophobicContact CD2-CG 4.09Å; F449-Y468 VanDerWaalsContact CE2-CB 3.43Å; F449-Y468 AromaticContact CE2-CD1 3.86Å; F449-Y468 HydrophobicContact CE2-CD1 3.86Å; F449-Y468 AromaticContact CE2-CD2 3.75Å; F449-Y468 HydrophobicContact CE2-CD2 3.75Å; F449-Y468 HydrophobicContact CE2-CE2 4.49Å; F449-Y468 AromaticContact CE2-CG 3.41Å; F449-Y468 HydrophobicContact CE2-CG 3.41Å; F449-Y468 VanDerWaalsContact CE2-CG 3.41Å; F449-Y468 HydrophobicContact CZ-CD2 4.41Å; F449-Y468 HydrophobicContact CZ-CG 4.17Å; F452-Y468 HydrophobicContact CE1-CE2 4.4Å; D464-Y468 HydrophobicContact CB-CE2 4.4Å; D464-Y468 WeakPolarHBondContact O-CD2 3.41Å; D464-Y468 PolarHBondContact O-N 3.42Å; L465-Y468 PolarHBondContact O-N 3.19Å; Y468-K470 VanDerWaalsContact C-N 3.3Å; Y468-K470 PolarHBondContact O-N 3.37Å; Y468-A471 PolarHBondContact O-N 3.46Å; Y468-L472 WeakPolarHBondContact O-CB 3.32Å; Y468-L472 VanDerWaalsContact O-CG 3.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.45Å; Y468-L472 PolarHBondContact O-N 2.95Å
469K95.9Very high92.8Very high45 Ų4563.3 Ų63.320%0.19634%0.342CS..Hα-helixtrans-57.9-43.7176-73.5177.6-162.7148.20111.8L465 D466 Q467 L472 L473 L479 L482L465-K469 WeakPolarHBondContact O-CG 3.34Å; L465-K469 PolarHBondContact O-N 3.23Å; D466-K469 PolarHBondContact O-N 3.04Å; D466-K469 IonicContact OD1-NZ 2.74Å; D466-K469 PolarHBondContact OD1-NZ 3.23Å; Q467-K469 PolarHBondContact O-N 2.84Å; K469-L472 PolarHBondContact O-N 3.49Å; K469-L473 WeakPolarHBondContact O-CB 3.39Å; K469-L473 VanDerWaalsContact O-CG 3.31Å; K469-L473 WeakPolarHBondContact O-CG 3.21Å; K469-L473 PolarHBondContact O-N 3.28Å; K469-L479 HydrophobicContact CB-CD1 3.97Å; K469-L479 HydrophobicContact CD-CD1 4.34Å; K469-L479 HydrophobicContact CG-CD1 4.01Å; K469-L482 HydrophobicContact CG-CD2 4.16Å
470K96.2Very high93.6Very high130 Ų13061.4 Ų61.457%0.56533%0.33SS*.Hα-helixtrans-61.8-48.3179-176177.9170.8-177.40111.1D466 Q467 Y468 L472 L473 E474D466-K470 WeakPolarHBondContact O-CB 3.4Å; D466-K470 PolarHBondContact O-N 2.92Å; Q467-K470 PolarHBondContact O-N 3.13Å; Y468-K470 VanDerWaalsContact C-N 3.3Å; Y468-K470 PolarHBondContact O-N 3.37Å; K470-L472 VanDerWaalsContact C-N 3.34Å; K470-L472 PolarHBondContact O-N 3.29Å; K470-L473 PolarHBondContact O-N 2.89Å; K470-E474 WeakPolarHBondContact CE-OE1 3.26Å; K470-E474 IonicContact NZ-OE1 2.85Å; K470-E474 WeakPolarHBondContact O-CB 3.32Å; K470-E474 WeakPolarHBondContact O-CG 3.16Å; K470-E474 PolarHBondContact O-N 3.47Å
471A95.8Very high94.2Very high7 Ų760.4 Ų60.46%0.05832%0.324CS..Hα-helixtrans-62.3-39.6177.500000112.7L431 I434 Q467 Y468 E474 T475L431-A471 HydrophobicContact CD1-CB 3.74Å; I434-A471 HydrophobicContact CG2-CB 3.97Å; Q467-A471 PolarHBondContact O-N 3.42Å; Y468-A471 PolarHBondContact O-N 3.46Å; A471-E474 PolarHBondContact O-N 2.82Å; A471-T475 WeakPolarHBondContact O-CG2 3.47Å; A471-T475 PolarHBondContact O-N 3.44Å; A471-T475 VanDerWaalsContact O-N 3.14Å; A471-T475 PolarHBondContact O-OG1 3.24Å
472L96.1Very high94.5Very high0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-64.5-42175.4-72.1168.6000112I434 K445 M446 F449 Y468 K469 K470 T475 G476 C477 L479I434-L472 HydrophobicContact CD1-CD2 4.5Å; I434-L472 HydrophobicContact CG2-CD2 3.8Å; I434-L472 HydrophobicContact CG2-CG 4.13Å; K445-L472 HydrophobicContact CB-CD2 4.21Å; M446-L472 HydrophobicContact CE-CD1 4.07Å; M446-L472 HydrophobicContact CE-CD2 4.33Å; F449-L472 HydrophobicContact CB-CD1 4.14Å; F449-L472 HydrophobicContact CB-CD2 4.39Å; F449-L472 HydrophobicContact CD1-CD1 3.61Å; F449-L472 HydrophobicContact CD2-CD1 4.39Å; F449-L472 HydrophobicContact CE1-CD1 4.12Å; F449-L472 HydrophobicContact CG-CD1 3.76Å; Y468-L472 WeakPolarHBondContact O-CB 3.32Å; Y468-L472 VanDerWaalsContact O-CG 3.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.45Å; Y468-L472 PolarHBondContact O-N 2.95Å; K469-L472 PolarHBondContact O-N 3.49Å; K470-L472 VanDerWaalsContact C-N 3.34Å; K470-L472 PolarHBondContact O-N 3.29Å; L472-T475 WeakPolarHBondContact CA-OG1 3.46Å; L472-T475 PolarHBondContact O-N 3.49Å; L472-T475 PolarHBondContact O-OG1 3.02Å; L472-G476 PolarHBondContact O-N 3.48Å; L472-C477 HydrophobicContact CB-CB 4.03Å; L472-C477 HydrophobicContact CD2-CB 4.39Å; L472-C477 WeakPolarHBondContact O-CB 3.46Å; L472-C477 PolarHBondContact O-N 3.46Å; L472-C477 PolarHBondContact O-SG 3.33Å; L472-C477 VanDerWaalsContact O-SG 3.33Å; L472-L479 HydrophobicContact CB-CD2 3.94Å; L472-L479 HydrophobicContact CD1-CD2 4.23Å
473L96.3Very high94.8Very high101 Ų10153.4 Ų53.453%0.52929%0.287SS..Hα-helixtrans-66.5-42.1176.3-74.2169.7000112.2K469 K470 T475 G476 L479K469-L473 WeakPolarHBondContact O-CB 3.39Å; K469-L473 VanDerWaalsContact O-CG 3.31Å; K469-L473 WeakPolarHBondContact O-CG 3.21Å; K469-L473 PolarHBondContact O-N 3.28Å; K470-L473 PolarHBondContact O-N 2.89Å; L473-T475 PolarHBondContact O-N 3.25Å; L473-G476 PolarHBondContact O-N 2.88Å; L473-L479 HydrophobicContact CD1-CD1 3.81Å; L473-L479 HydrophobicContact CD2-CD1 3.95Å; L473-L479 HydrophobicContact CD2-CG 3.86Å; L473-L479 HydrophobicContact CG-CD1 3.77Å; L473-L479 HydrophobicContact CG-CD2 4.47Å; L473-L479 HydrophobicContact CG-CG 4.05Å
474E95.6Very high95Very high141 Ų14150 Ų5066%0.65926%0.264SS*.Hα-helixtrans-62.2-27.7177.3-75.1173.8176.600112.4K470 A471 G476K470-E474 WeakPolarHBondContact CE-OE1 3.26Å; K470-E474 IonicContact NZ-OE1 2.85Å; K470-E474 WeakPolarHBondContact O-CB 3.32Å; K470-E474 WeakPolarHBondContact O-CG 3.16Å; K470-E474 PolarHBondContact O-N 3.47Å; A471-E474 PolarHBondContact O-N 2.82Å; E474-G476 VanDerWaalsContact C-N 3.34Å
475T93.2Very high95.2Very high36 Ų3646.6 Ų46.622%0.22125%0.246CC..THydrogen-bonded Turntrans-89.73.9175.4540000113.7I434 P442 K445 A471 L472 L473I434-T475 WeakPolarHBondContact O-CG2 3.38Å; P442-T475 WeakPolarHBondContact CG-O 3.43Å; K445-T475 HydrophobicContact CD-CG2 4.13Å; A471-T475 WeakPolarHBondContact O-CG2 3.47Å; A471-T475 PolarHBondContact O-N 3.44Å; A471-T475 VanDerWaalsContact O-N 3.14Å; A471-T475 PolarHBondContact O-OG1 3.24Å; L472-T475 WeakPolarHBondContact CA-OG1 3.46Å; L472-T475 PolarHBondContact O-N 3.49Å; L472-T475 PolarHBondContact O-OG1 3.02Å; L473-T475 PolarHBondContact O-N 3.25Å
476G93.9Very high95.3Very high57 Ų5749.4 Ų49.459%0.58826%0.258SS*.THydrogen-bonded Turntrans85.117175.400000115L472 L473 E474L472-G476 PolarHBondContact O-N 3.48Å; L473-G476 PolarHBondContact O-N 2.88Å; E474-G476 VanDerWaalsContact C-N 3.34Å
477C94.3Very high95.1Very high9 Ų949.2 Ų49.26%0.06125%0.254CS..  trans-77.1141.6176.8-53.70000112P442 M446 L472P442-C477 PolarHBondContact O-SG 2.89Å; M446-C477 HydrophobicContact CE-CB 3.65Å; L472-C477 HydrophobicContact CB-CB 4.03Å; L472-C477 HydrophobicContact CD2-CB 4.39Å; L472-C477 WeakPolarHBondContact O-CB 3.46Å; L472-C477 PolarHBondContact O-N 3.46Å; L472-C477 PolarHBondContact O-SG 3.33Å; L472-C477 VanDerWaalsContact O-SG 3.33Å
478D93.6Very high95Very high77 Ų7745.6 Ų45.641%0.41224%0.236SC..  trans-81.8129.5165.6167.141.3000110.7M446 S480 S629M446-D478 WeakPolarHBondContact CE-O 3.33Å; D478-S480 WeakPolarHBondContact OD1-CB 3.17Å; D478-S480 PolarHBondContact OD1-N 3.05Å; D478-S480 PolarHBondContact OD1-OG 3.46Å; D478-S480 VanDerWaalsContact OD2-CB 3.24Å; D478-S480 WeakPolarHBondContact OD2-CB 3.44Å; D478-S480 PolarHBondContact OD2-OG 2.99Å; D478-S629 PolarHBondContact OD2-OG 3.16Å
479L96.1Very high94.7Very high25 Ų2544.8 Ų44.813%0.13123%0.233CC..SBendtrans-87.60.1-178.3-59.1-174.4000114M446 K469 L472 L473 S481 L482 N483M446-L479 HydrophobicContact CE-CD2 3.99Å; K469-L479 HydrophobicContact CB-CD1 3.97Å; K469-L479 HydrophobicContact CD-CD1 4.34Å; K469-L479 HydrophobicContact CG-CD1 4.01Å; L472-L479 HydrophobicContact CB-CD2 3.94Å; L472-L479 HydrophobicContact CD1-CD2 4.23Å; L473-L479 HydrophobicContact CD1-CD1 3.81Å; L473-L479 HydrophobicContact CD2-CD1 3.95Å; L473-L479 HydrophobicContact CD2-CG 3.86Å; L473-L479 HydrophobicContact CG-CD1 3.77Å; L473-L479 HydrophobicContact CG-CD2 4.47Å; L473-L479 HydrophobicContact CG-CG 4.05Å; L479-S481 VanDerWaalsContact C-N 3.32Å; L479-S481 PolarHBondContact O-N 3.24Å; L479-L482 WeakPolarHBondContact O-CB 3.28Å; L479-L482 PolarHBondContact O-N 3.29Å; L479-L482 VanDerWaalsContact O-N 3.16Å; L479-N483 PolarHBondContact O-N 3.4Å
480S96.8Very high94.3Very high18 Ų1845 Ų4513%0.12624%0.243CC..Hα-helixtrans-60.4-42.1-176.8-53.30000111.8D478 L482 N483 Y484 S629 G632D478-S480 WeakPolarHBondContact OD1-CB 3.17Å; D478-S480 PolarHBondContact OD1-N 3.05Å; D478-S480 PolarHBondContact OD1-OG 3.46Å; D478-S480 VanDerWaalsContact OD2-CB 3.24Å; D478-S480 WeakPolarHBondContact OD2-CB 3.44Å; D478-S480 PolarHBondContact OD2-OG 2.99Å; S480-L482 VanDerWaalsContact C-N 3.31Å; S480-L482 PolarHBondContact O-N 3.01Å; S480-N483 WeakPolarHBondContact O-CB 3.38Å; S480-N483 PolarHBondContact O-N 3.33Å; S480-Y484 PolarHBondContact O-N 3.26Å; S480-S629 WeakPolarHBondContact CB-O 3.4Å; S480-G632 WeakPolarHBondContact O-CA 3.42Å
481S96.4Very high93.6Very high1 Ų145.6 Ų45.61%0.00725%0.246CC..Hα-helixtrans-60.3-39.9176.557.90000112.4L479 N483 Y484 I485L479-S481 VanDerWaalsContact C-N 3.32Å; L479-S481 PolarHBondContact O-N 3.24Å; S481-N483 PolarHBondContact O-N 3.03Å; S481-Y484 PolarHBondContact O-N 3.47Å; S481-I485 WeakPolarHBondContact O-CG1 3.37Å; S481-I485 PolarHBondContact O-N 3.42Å
482L96.1Very high92.9Very high1 Ų148.2 Ų48.21%0.00526%0.261CS..Hα-helixtrans-63.7-39.7173.9175.660.9000111.8F449 L450 Y453 K469 L479 S480 Y484 I485 K486F449-L482 HydrophobicContact CD1-CD1 4.21Å; F449-L482 HydrophobicContact CD1-CD2 4.33Å; F449-L482 HydrophobicContact CE1-CD1 3.61Å; F449-L482 HydrophobicContact CE1-CD2 3.65Å; F449-L482 HydrophobicContact CE1-CG 4.23Å; L450-L482 HydrophobicContact CD2-CB 4.16Å; L450-L482 HydrophobicContact CD2-CD1 4.16Å; Y453-L482 HydrophobicContact CD2-CD1 4.46Å; Y453-L482 HydrophobicContact CG-CD1 4.37Å; K469-L482 HydrophobicContact CG-CD2 4.16Å; L479-L482 WeakPolarHBondContact O-CB 3.28Å; L479-L482 PolarHBondContact O-N 3.29Å; L479-L482 VanDerWaalsContact O-N 3.16Å; S480-L482 VanDerWaalsContact C-N 3.31Å; S480-L482 PolarHBondContact O-N 3.01Å; L482-Y484 VanDerWaalsContact C-N 3.28Å; L482-Y484 PolarHBondContact O-N 3.49Å; L482-I485 PolarHBondContact O-N 3.28Å; L482-K486 HydrophobicContact CD1-CD 4.44Å; L482-K486 HydrophobicContact CD1-CG 4.07Å; L482-K486 HydrophobicContact CG-CD 4.29Å; L482-K486 HydrophobicContact CG-CG 4.37Å; L482-K486 WeakPolarHBondContact O-CB 3.25Å; L482-K486 VanDerWaalsContact O-CG 3.29Å; L482-K486 WeakPolarHBondContact O-CG 3.49Å; L482-K486 PolarHBondContact O-N 3.43Å
483N95Very high91.8Very high67 Ų6752.1 Ų52.136%0.35828%0.278SS..Hα-helixtrans-59.4-41.7178-67.6-30.2000111.7L479 S480 S481 Q487L479-N483 PolarHBondContact O-N 3.4Å; S480-N483 WeakPolarHBondContact O-CB 3.38Å; S480-N483 PolarHBondContact O-N 3.33Å; S481-N483 PolarHBondContact O-N 3.03Å; N483-Q487 WeakPolarHBondContact O-CG 3.29Å; N483-Q487 PolarHBondContact O-N 3.5Å
484Y95.9Very high90.3Very high22 Ų2253.2 Ų53.29%0.08628%0.283CS..Hα-helixtrans-67.3-49.4175.3-176.9-101.1000111.9Y163 N167 S480 S481 L482 K486 Q487 W488 L628 L631Y163-Y484 AromaticContact CE1-CE1 3.82Å; Y163-Y484 HydrophobicContact CE1-CE1 3.82Å; Y163-Y484 PolarHBondContact OH-OH 2.72Å; N167-Y484 WeakPolarHBondContact CB-OH 3.39Å; S480-Y484 PolarHBondContact O-N 3.26Å; S481-Y484 PolarHBondContact O-N 3.47Å; L482-Y484 VanDerWaalsContact C-N 3.28Å; L482-Y484 PolarHBondContact O-N 3.49Å; Y484-K486 VanDerWaalsContact C-N 3.25Å; Y484-K486 PolarHBondContact O-N 2.91Å; Y484-Q487 WeakPolarHBondContact O-CA 3.4Å; Y484-Q487 WeakPolarHBondContact O-CB 3.45Å; Y484-Q487 PolarHBondContact O-N 2.96Å; Y484-W488 HydrophobicContact CE1-CB 4.45Å; Y484-W488 PolarHBondContact O-N 2.89Å; Y484-L628 HydrophobicContact CD1-CD2 3.75Å; Y484-L628 HydrophobicContact CE1-CD2 3.9Å; Y484-L631 HydrophobicContact CD1-CB 4.32Å; Y484-L631 HydrophobicContact CD1-CD1 4.27Å; Y484-L631 HydrophobicContact CD2-CB 3.37Å; Y484-L631 HydrophobicContact CD2-CD1 4.23Å; Y484-L631 HydrophobicContact CD2-CG 4.38Å; Y484-L631 HydrophobicContact CE1-CD1 3.79Å; Y484-L631 HydrophobicContact CE2-CB 3.62Å; Y484-L631 HydrophobicContact CE2-CD1 3.73Å; Y484-L631 HydrophobicContact CE2-CG 4.17Å; Y484-L631 HydrophobicContact CG-CB 3.74Å; Y484-L631 HydrophobicContact CG-CD1 4.46Å; Y484-L631 VanDerWaalsContact CZ-CD1 3.48Å
485I95.4Very high88.6Confident0 Ų050.7 Ų50.70%029%0.287CS..Hα-helixtrans-60.3-34.1-179.2-70.3-62.2000112.4L257 L450 Y453 I454 S481 L482 K489 L628L257-I485 HydrophobicContact CD1-CD1 3.59Å; L450-I485 HydrophobicContact CD2-CB 4.18Å; L450-I485 HydrophobicContact CD2-CG1 4.02Å; L450-I485 HydrophobicContact CD2-CG2 4.39Å; Y453-I485 HydrophobicContact CD1-CG2 3.68Å; Y453-I485 HydrophobicContact CE1-CG2 4.24Å; I454-I485 HydrophobicContact CD1-CD1 4.15Å; I454-I485 HydrophobicContact CD1-CG2 4.34Å; I454-I485 HydrophobicContact CG1-CG2 3.77Å; S481-I485 WeakPolarHBondContact O-CG1 3.37Å; S481-I485 PolarHBondContact O-N 3.42Å; L482-I485 PolarHBondContact O-N 3.28Å; I485-K489 VanDerWaalsContact O-CB 3.31Å; I485-K489 WeakPolarHBondContact O-CB 3.47Å; I485-K489 PolarHBondContact O-N 2.69Å; I485-L628 HydrophobicContact CD1-CD1 4.07Å; I485-L628 HydrophobicContact CD1-CD2 4.2Å; I485-L628 HydrophobicContact CG1-CD1 4.3Å
486K93.6Very high86.8Confident70 Ų7052.4 Ų52.430%0.30431%0.305SS..Hα-helixtrans-60.2-45.2171.4-76.5179.765.5-177.50112.3Y453 L465 L482 Y484 A490Y453-K486 HydrophobicContact CE1-CG 4.08Å; Y453-K486 HydrophobicContact CE2-CG 4.36Å; L465-K486 HydrophobicContact CD2-CD 4.49Å; L482-K486 HydrophobicContact CD1-CD 4.44Å; L482-K486 HydrophobicContact CD1-CG 4.07Å; L482-K486 HydrophobicContact CG-CD 4.29Å; L482-K486 HydrophobicContact CG-CG 4.37Å; L482-K486 WeakPolarHBondContact O-CB 3.25Å; L482-K486 VanDerWaalsContact O-CG 3.29Å; L482-K486 WeakPolarHBondContact O-CG 3.49Å; L482-K486 PolarHBondContact O-N 3.43Å; Y484-K486 VanDerWaalsContact C-N 3.25Å; Y484-K486 PolarHBondContact O-N 2.91Å; K486-A490 PolarHBondContact O-N 2.96Å; K486-A490 VanDerWaalsContact O-N 3.15Å
487Q91.2Very high84Confident83 Ų8354.9 Ų54.939%0.38831%0.308SS..Hα-helixtrans-65.7-49.9178.4-66173.73200110.3N483 Y484 K489 A490 F491N483-Q487 WeakPolarHBondContact O-CG 3.29Å; N483-Q487 PolarHBondContact O-N 3.5Å; Y484-Q487 WeakPolarHBondContact O-CA 3.4Å; Y484-Q487 WeakPolarHBondContact O-CB 3.45Å; Y484-Q487 PolarHBondContact O-N 2.96Å; Q487-K489 VanDerWaalsContact C-N 3.33Å; Q487-K489 PolarHBondContact O-N 3.16Å; Q487-A490 WeakPolarHBondContact O-CB 3.2Å; Q487-A490 PolarHBondContact O-N 3.48Å; Q487-A490 VanDerWaalsContact O-N 3.11Å; Q487-F491 HydrophobicContact CB-CE2 4.41Å; Q487-F491 WeakPolarHBondContact O-CD2 3.25Å; Q487-F491 PolarHBondContact O-N 3.19Å
488W91.9Very high81.3Confident33 Ų3359.6 Ų59.613%0.12534%0.339CS..Hα-helixtrans-52.4-50.5176.2172.486.5000111.6N254 L257 I454 Y484 A490 F491 T492N254-W488 WeakPolarHBondContact O-CZ2 3.36Å; N254-W488 PolarHBondContact OD1-NE1 3.28Å; L257-W488 HydrophobicContact CD1-CD2 3.4Å; L257-W488 HydrophobicContact CD1-CE3 3.86Å; L257-W488 HydrophobicContact CD1-CG 3.71Å; L257-W488 HydrophobicContact CD1-CH2 4.26Å; L257-W488 HydrophobicContact CD1-CZ2 3.83Å; L257-W488 HydrophobicContact CD1-CZ3 4.27Å; L257-W488 HydrophobicContact CG-CD2 4.39Å; L257-W488 HydrophobicContact CG-CH2 4.36Å; L257-W488 HydrophobicContact CG-CZ2 3.91Å; I454-W488 HydrophobicContact CG1-CZ3 4.24Å; I454-W488 HydrophobicContact CG2-CH2 4.15Å; I454-W488 HydrophobicContact CG2-CZ3 4.02Å; Y484-W488 HydrophobicContact CE1-CB 4.45Å; Y484-W488 PolarHBondContact O-N 2.89Å; W488-A490 VanDerWaalsContact C-N 3.28Å; W488-A490 PolarHBondContact O-N 2.85Å; W488-F491 WeakPolarHBondContact O-CB 3.07Å; W488-F491 PolarHBondContact O-N 3.05Å; W488-F491 VanDerWaalsContact O-N 3.07Å; W488-T492 PolarHBondContact O-N 2.71Å; W488-T492 PolarHBondContact O-OG1 3.06Å; W488-T492 VanDerWaalsContact O-OG1 3.04Å
489K89.3Confident78.5Confident17 Ų1761.8 Ų61.87%0.07436%0.36CS..Hα-helixtrans-63.7-33-179.1-172.1161.8-174.7147.10113Y453 I454 A456 I485 Q487 K493Y453-K489 HydrophobicContact CD1-CD 3.91Å; Y453-K489 HydrophobicContact CE1-CB 4.03Å; Y453-K489 HydrophobicContact CE1-CD 3.57Å; Y453-K489 HydrophobicContact CE1-CG 4.33Å; Y453-K489 WeakPolarHBondContact O-CD 3.46Å; Y453-K489 WeakPolarHBondContact O-CE 3.4Å; Y453-K489 PolarHBondContact O-NZ 2.73Å; I454-K489 PolarHBondContact O-NZ 3.18Å; A456-K489 PolarHBondContact O-NZ 3.03Å; I485-K489 VanDerWaalsContact O-CB 3.31Å; I485-K489 WeakPolarHBondContact O-CB 3.47Å; I485-K489 PolarHBondContact O-N 2.69Å; Q487-K489 VanDerWaalsContact C-N 3.33Å; Q487-K489 PolarHBondContact O-N 3.16Å; K489-K493 PolarHBondContact O-N 3.05Å
490A87.1Confident75.3Confident50 Ų5067.1 Ų67.141%0.41339%0.389SS..Hα-helixtrans-66.1-43.7173.400000111.4K486 Q487 W488 K493 I494K486-A490 PolarHBondContact O-N 2.96Å; K486-A490 VanDerWaalsContact O-N 3.15Å; Q487-A490 WeakPolarHBondContact O-CB 3.2Å; Q487-A490 PolarHBondContact O-N 3.48Å; Q487-A490 VanDerWaalsContact O-N 3.11Å; W488-A490 VanDerWaalsContact C-N 3.28Å; W488-A490 PolarHBondContact O-N 2.85Å; A490-K493 PolarHBondContact O-N 2.68Å; A490-I494 WeakPolarHBondContact O-CG1 3.4Å; A490-I494 PolarHBondContact O-N 3.3Å
491F83.3Confident72.1Confident142 Ų14276.6 Ų76.662%0.62342%0.423SS*.Hα-helixtrans-63.8-43.6175.5-74-65.6000112.7Q487 W488 K493 I494 A495Q487-F491 HydrophobicContact CB-CE2 4.41Å; Q487-F491 WeakPolarHBondContact O-CD2 3.25Å; Q487-F491 PolarHBondContact O-N 3.19Å; W488-F491 WeakPolarHBondContact O-CB 3.07Å; W488-F491 PolarHBondContact O-N 3.05Å; W488-F491 VanDerWaalsContact O-N 3.07Å; F491-K493 VanDerWaalsContact C-N 3.29Å; F491-K493 PolarHBondContact O-N 3.14Å; F491-I494 PolarHBondContact O-N 2.88Å; F491-I494 VanDerWaalsContact O-N 3.13Å; F491-A495 PolarHBondContact O-N 2.72Å
492T79.7Confident68.8Low62 Ų6279.9 Ų79.938%0.3846%0.458SS..Hα-helixtrans-61.3-38178.4-48.80000111.8W488 A495 A496W488-T492 PolarHBondContact O-N 2.71Å; W488-T492 PolarHBondContact O-OG1 3.06Å; W488-T492 VanDerWaalsContact O-OG1 3.04Å; T492-A495 PolarHBondContact O-N 2.64Å; T492-A496 WeakPolarHBondContact O-CB 3.43Å; T492-A496 PolarHBondContact O-N 2.98Å
493K72.5Confident65.5Low82 Ų8288 Ų8836%0.35750%0.501SS..Hα-helixtrans-64.2-40.5174.8-80.9-173.9169.2-165.60112.7K489 A490 F491 A496 T497K489-K493 PolarHBondContact O-N 3.05Å; A490-K493 PolarHBondContact O-N 2.68Å; F491-K493 VanDerWaalsContact C-N 3.29Å; F491-K493 PolarHBondContact O-N 3.14Å; K493-A496 PolarHBondContact O-N 3.11Å; K493-T497 PolarHBondContact O-OG1 3.38Å
494I65.8Low62.2Low124 Ų12489.8 Ų89.864%0.63652%0.519SS*.Hα-helixtrans-64.4-45.5177.1-65.3165.6000109.7A490 F491 A496 T497A490-I494 WeakPolarHBondContact O-CG1 3.4Å; A490-I494 PolarHBondContact O-N 3.3Å; F491-I494 PolarHBondContact O-N 2.88Å; F491-I494 VanDerWaalsContact O-N 3.13Å; I494-A496 VanDerWaalsContact C-N 3.33Å; I494-A496 PolarHBondContact O-N 2.88Å; I494-T497 PolarHBondContact O-N 3Å
495A58.9Low59Low89 Ų8992.4 Ų92.474%0.73655%0.553SS**Hα-helixtrans-65.8-32.7177.400000113.4F491 T492 T497F491-A495 PolarHBondContact O-N 2.72Å; T492-A495 PolarHBondContact O-N 2.64Å; A495-T497 VanDerWaalsContact C-N 3.26Å; A495-T497 PolarHBondContact O-N 2.93Å
496A56.3Low55.7Low71 Ų7199 Ų9959%0.58759%0.593SS**THydrogen-bonded Turntrans-8311.4179.600000114.4T492 K493 I494 P498T492-A496 WeakPolarHBondContact O-CB 3.43Å; T492-A496 PolarHBondContact O-N 2.98Å; K493-A496 PolarHBondContact O-N 3.11Å; I494-A496 VanDerWaalsContact C-N 3.33Å; I494-A496 PolarHBondContact O-N 2.88Å; A496-P498 WeakPolarHBondContact O-CD 3.48Å
497T35.3Very low52.5Low109 Ų109105 Ų10567%0.66962%0.619SS**  trans-9887.2174.4-44.30000110.6K493 I494 A495K493-T497 PolarHBondContact O-OG1 3.38Å; I494-T497 PolarHBondContact O-N 3Å; A495-T497 VanDerWaalsContact C-N 3.26Å; A495-T497 PolarHBondContact O-N 2.93Å
498P37.7Very low49.6Very low108 Ų108107.2 Ų107.270%0.70164%0.64SS**  trans-74.3143.4168.528.8-31.3000110.6A496 N500A496-P498 WeakPolarHBondContact O-CD 3.48Å; P498-N500 PolarHBondContact O-N 2.8Å
499S33.5Very low46.5Very low123 Ų123114.3 Ų114.386%0.8668%0.677SS**SBendtrans-56.998.5165.628.70000111.6
500N29.6Very low43.7Very low137 Ų137116.6 Ų116.673%0.73371%0.705SS**SBendtrans68.9136.7147.9-121.62.8000121.7P498P498-N500 PolarHBondContact O-N 2.8Å
501Y30.2Very low40.9Very low217 Ų217121.7 Ų121.785%0.85173%0.725SS**  trans78.6119.7162-77.4-85.2000121.5
502G25.9Very low38.3Very low71 Ų71124 Ų12473%0.73274%0.735SS**  trans141.475.4149.700000116.6S504G502-S504 PolarHBondContact O-N 2.83Å
503N27Very low35.7Very low170 Ų170125.6 Ų125.691%0.90975%0.749SS**  trans-65.2118.7171.7-168.943.6000111.3
504S25.6Very low33.7Very low106 Ų106132.9 Ų132.974%0.74177%0.774SS**  trans-154103.1158.441.70000110.9G502G502-S504 PolarHBondContact O-N 2.83Å
505G28.7Very low31.9Very low77 Ų77133.8 Ų133.879%0.79479%0.785SS**  trans-72.6135.217700000111.9
506V26.9Very low30.5Very low138 Ų138137.5 Ų137.584%0.83679%0.789SS**  trans-116.3116.8171.3-169.20000108
507K27.1Very low29.4Very low195 Ų195141.1 Ų141.185%0.84880%0.798SS**PPolyproline II helixtrans-75.6137.9174.8-64.6179.6178.2179.20109.6M509K507-M509 PolarHBondContact O-N 3.11Å
508P30Very low29.3Very low130 Ų130141.6 Ų141.684%0.84481%0.807SS**PPolyproline II helixtrans-76.5121.6168.928.2-28.4000110.4
509M25.2Very low28.8Very low183 Ų183140.1 Ų140.190%0.90181%0.811SS**PPolyproline II helixtrans-71.2126.3169.6-104.4-87.5169.200109.6K507K507-M509 PolarHBondContact O-N 3.11Å
510G30.9Very low28.8Very low64 Ų64138.9 Ų138.966%0.6680%0.802SS**PPolyproline II helixtrans-79.8143168.800000111.3
511L29.5Very low29.1Very low157 Ų157141.5 Ų141.582%0.82281%0.81SS**  trans-148.1109.5163.3-136.490000111.6
512F27.9Very low29.3Very low190 Ų190140.6 Ų140.683%0.83381%0.811SS**  trans68.4123.9141.2-90.9-96.4000124.5
513S26.3Very low30Very low96 Ų96143.9 Ų143.967%0.67182%0.817SS**  trans-78.5160.716155.90000114.4
514R28.7Very low30.8Very low235 Ų235137.9 Ų137.989%0.88778%0.783SS**  trans103.6116.2144.5-163.3-179.4-103.4165.8-6116.2
515V29.3Very low31.7Very low143 Ų143141.8 Ų141.887%0.86779%0.79SS**  -163.3141119.61510000108.8
516M29.8Very low32.5Very low167 Ų167140.8 Ų140.882%0.82378%0.779SS**  trans-101.1156.7-178.9-90.4171.915200112
517N32.8Very low33.5Very low147 Ų147135.1 Ų135.179%0.78675%0.745SS**  108.8140.1127.8-10414.2000122.7
518S32.1Very low34.2Very low120 Ų120130 Ų13084%0.83972%0.723SS**  trans92.4120.4168-43.20000113.9
519G28.3Very low35.1Very low77 Ų77131.5 Ų131.579%0.79472%0.718SS**  cis145.5106.93.800000108.9
520S32.9Very low36.5Very low97 Ų97124.5 Ų124.568%0.67868%0.684SS**  trans-169.5132.2156.754.70000111
521Q36.7Very low37.6Very low191 Ų191127.1 Ų127.189%0.89369%0.687SS**  trans-77.6112.3179-91.7168.6-43.600110.3
522F34.8Very low39Very low199 Ų199122.3 Ų122.387%0.87366%0.662SS**SBendtrans-155.7137.9139.2-117.1-89.4000106.8M524F522-M524 PolarHBondContact O-N 2.8Å
523V40.5Very low40.6Very low140 Ų140119.3 Ų119.385%0.84865%0.649SS**SBendtrans-36.595.9-167.2-1750000114.8
524M43.8Very low42.4Very low43 Ų43122.9 Ų122.921%0.21266%0.655CS.*  trans-153.730.9176.3-130.6166.995.700113.5P325 A328 F522 G526 V527 K528P325-M524 HydrophobicContact CB-CE 3.64Å; A328-M524 HydrophobicContact CB-SD 4.36Å; F522-M524 PolarHBondContact O-N 2.8Å; M524-G526 VanDerWaalsContact C-N 3.3Å; M524-G526 PolarHBondContact O-N 2.77Å; M524-V527 PolarHBondContact O-N 2.98Å; M524-K528 HydrophobicContact CB-CG 4.37Å; M524-K528 HydrophobicContact CE-CG 4.13Å
525E42.6Very low44.8Very low189 Ų189116.5 Ų116.588%0.88364%0.635SS**THydrogen-bonded Turntrans-69.2-18.5-167.1-151.6165.4-171.400114.6
526G46.4Very low47.6Very low55 Ų55113.5 Ų113.557%0.56761%0.614SS**THydrogen-bonded Turntrans-89.6-20.1177.800000115.9M524M524-G526 VanDerWaalsContact C-N 3.3Å; M524-G526 PolarHBondContact O-N 2.77Å
527V48.1Very low50.5Low19 Ų19106.9 Ų106.912%0.11558%0.582CS.*THydrogen-bonded Turntrans-110.4-20-164.1176.10000112.6W265 P325 M524 H529W265-V527 HydrophobicContact CZ2-CG1 3.6Å; P325-V527 HydrophobicContact CG-CG1 3.76Å; M524-V527 PolarHBondContact O-N 2.98Å; V527-H529 VanDerWaalsContact C-N 3.26Å; V527-H529 PolarHBondContact O-N 3.42Å
528K42.4Very low53.3Low87 Ų87101.2 Ų101.238%0.37855%0.553SS.*THydrogen-bonded Turntrans-70-12.2-176.3-76.3-169.8173.6-153.60115.3E329 M524E329-K528 WeakPolarHBondContact OE1-CE 3.24Å; E329-K528 IonicContact OE1-NZ 2.72Å; E329-K528 PolarHBondContact OE1-NZ 3.38Å; M524-K528 HydrophobicContact CB-CG 4.37Å; M524-K528 HydrophobicContact CE-CG 4.13Å
529H48.1Very low56.3Low163 Ų16395.8 Ų95.876%0.75552%0.515SS*.THydrogen-bonded Turntrans-101.7-1.9-176.9-74.2-66.2000115.1V527 V531V527-H529 VanDerWaalsContact C-N 3.26Å; V527-H529 PolarHBondContact O-N 3.42Å; H529-V531 VanDerWaalsContact C-N 3.34Å; H529-V531 PolarHBondContact O-N 2.84Å
530L54.3Low59.5Low35 Ų3592.1 Ų92.118%0.18348%0.477CS..  trans-81.780.8175.9-66.5174.1000110.2W265 D411 F414 E415 L532W265-L530 HydrophobicContact CH2-CD1 4.19Å; W265-L530 HydrophobicContact CZ2-CD1 3.7Å; D411-L530 HydrophobicContact CB-CD1 3.94Å; F414-L530 HydrophobicContact CD1-CD1 4.05Å; F414-L530 HydrophobicContact CD1-CD2 4.23Å; F414-L530 HydrophobicContact CE1-CB 4.5Å; E415-L530 HydrophobicContact CB-CD2 4.25Å; E415-L530 HydrophobicContact CG-CD2 4.43Å; L530-L532 PolarHBondContact O-N 3.09Å
531V54.5Low62.3Low120 Ų12092.4 Ų92.473%0.72746%0.463SS*.  trans-73.7116.6171.7179.60000108.6H529 K533H529-V531 VanDerWaalsContact C-N 3.34Å; H529-V531 PolarHBondContact O-N 2.84Å; V531-K533 PolarHBondContact O-N 2.9Å; V531-K533 VanDerWaalsContact O-N 3.14Å
532L59.2Low65.1Low55 Ų5583.5 Ų83.529%0.28842%0.422SS..  trans-60.9115171.2-77.7170.4000109.4W265 T266 P323 F414 L530 Q534W265-L532 HydrophobicContact CB-CD1 4.26Å; W265-L532 HydrophobicContact CB-CD2 3.94Å; W265-L532 HydrophobicContact CB-CG 4.27Å; T266-L532 HydrophobicContact CG2-CD1 3.79Å; P323-L532 HydrophobicContact CB-CD1 4.19Å; P323-L532 HydrophobicContact CG-CD1 4.06Å; F414-L532 HydrophobicContact CE1-CD2 4.38Å; F414-L532 HydrophobicContact CE2-CD2 4.14Å; F414-L532 HydrophobicContact CZ-CD2 3.48Å; F414-L532 VanDerWaalsContact CZ-CD2 3.48Å; L530-L532 PolarHBondContact O-N 3.09Å; L532-Q534 PolarHBondContact O-N 3.49Å
533K61.8Low68Low127 Ų12774 Ų7455%0.55238%0.38SS*.  trans-75.4125.2171.7-68.7179.9-176.5168.90108.5V531 H535V531-K533 PolarHBondContact O-N 2.9Å; V531-K533 VanDerWaalsContact O-N 3.14Å; K533-H535 WeakPolarHBondContact CB-NE2 3.32Å; K533-H535 PolarHBondContact O-N 2.84Å
534Q63.6Low70.6Confident172 Ų17268.2 Ų68.280%0.80434%0.344SS*.  trans-72.999.2175.1-71.5-176.4-9.100109.7L532L532-Q534 PolarHBondContact O-N 3.49Å
535H78.9Confident72.9Confident100 Ų10067 Ų6746%0.46334%0.338SS..  trans-114.8132.2171.2-68.2-54.6000109.9K533 L537 N598K533-H535 WeakPolarHBondContact CB-NE2 3.32Å; K533-H535 PolarHBondContact O-N 2.84Å; H535-L537 PolarHBondContact O-N 3.31Å; H535-N598 PolarHBondContact O-ND2 3.33Å
536N87Confident75.3Confident80 Ų8058.4 Ų58.443%0.42830%0.299SS..  trans-71.2118.6171.8-72.4-10.8000108.7T540 R541N536-T540 HydrophobicContact CB-CG2 4.01Å; N536-R541 HydrophobicContact CB-CG 3.6Å; N536-R541 WeakPolarHBondContact O-CD 3.13Å; N536-R541 WeakPolarHBondContact O-CG 3.23Å
537L91.8Very high77.5Confident28 Ų2855.8 Ų55.815%0.14727%0.272CS..  trans-65.6161.2174.3-64.1177.1000110.9T259 H535 V539 T540 R541 I594 E595 N598T259-L537 HydrophobicContact CG2-CD1 3.84Å; H535-L537 PolarHBondContact O-N 3.31Å; L537-V539 VanDerWaalsContact C-N 3.29Å; L537-V539 PolarHBondContact O-N 3.12Å; L537-T540 WeakPolarHBondContact O-CB 3.45Å; L537-T540 PolarHBondContact O-N 2.81Å; L537-R541 WeakPolarHBondContact O-CG 3.31Å; L537-R541 PolarHBondContact O-N 3.45Å; L537-I594 HydrophobicContact CD1-CG2 4.13Å; L537-E595 HydrophobicContact CD1-CG 4.35Å; L537-N598 WeakPolarHBondContact CB-OD1 3.39Å; L537-N598 HydrophobicContact CD1-CB 3.62Å; L537-N598 HydrophobicContact CG-CB 4.03Å; L537-N598 PolarHBondContact N-OD1 3.22Å
538P92.1Very high79.5Confident28 Ų2857.4 Ų57.418%0.18228%0.278CS..Hα-helixtrans-47.6-48-178.3-31.137.9000114L255 D256 T540 R541 I542L255-P538 HydrophobicContact CD2-CB 4.15Å; L255-P538 HydrophobicContact CG-CB 4.29Å; D256-P538 HydrophobicContact CB-CB 4.29Å; D256-P538 HydrophobicContact CB-CG 4.09Å; D256-P538 WeakPolarHBondContact OD2-CD 3.26Å; D256-P538 WeakPolarHBondContact OD2-CG 3.27Å; P538-T540 PolarHBondContact O-N 2.84Å; P538-R541 PolarHBondContact O-N 2.84Å; P538-I542 WeakPolarHBondContact O-CG1 3.38Å; P538-I542 PolarHBondContact O-N 2.77Å
539V93.8Very high81.6Confident7 Ų756 Ų564%0.04227%0.273CS..Hα-helixtrans-59.8-44.9177.5170.30000112.1A251 L255 L537 R541 I542 L543 V585 V587 L599A251-V539 HydrophobicContact CB-CG2 4.45Å; L255-V539 HydrophobicContact CD2-CG2 4Å; L537-V539 VanDerWaalsContact C-N 3.29Å; L537-V539 PolarHBondContact O-N 3.12Å; V539-R541 PolarHBondContact O-N 3.43Å; V539-I542 PolarHBondContact O-N 2.86Å; V539-L543 WeakPolarHBondContact O-CB 3.33Å; V539-L543 PolarHBondContact O-N 3.19Å; V539-V585 HydrophobicContact CG1-CG1 3.47Å; V539-V585 VanDerWaalsContact CG1-CG1 3.47Å; V539-V587 HydrophobicContact CG2-CG2 4.5Å; V539-L599 HydrophobicContact CG1-CD1 4.49Å
540T95.2Very high83.4Confident0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-64.6-38.4178-53.40000112.2N536 L537 P538 L543 D544 N598 L599 Y602N536-T540 HydrophobicContact CB-CG2 4.01Å; L537-T540 WeakPolarHBondContact O-CB 3.45Å; L537-T540 PolarHBondContact O-N 2.81Å; P538-T540 PolarHBondContact O-N 2.84Å; T540-L543 PolarHBondContact O-N 2.91Å; T540-D544 PolarHBondContact O-N 2.99Å; T540-N598 VanDerWaalsContact CB-OD1 3.28Å; T540-N598 WeakPolarHBondContact CB-OD1 3.41Å; T540-N598 PolarHBondContact OG1-OD1 3.49Å; T540-L599 HydrophobicContact CG2-CD2 4.15Å; T540-L599 WeakPolarHBondContact OG1-CD2 3.31Å; T540-Y602 HydrophobicContact CG2-CD2 3.86Å; T540-Y602 HydrophobicContact CG2-CG 3.82Å
541R93.8Very high84.8Confident102 Ų10255.8 Ų55.839%0.38528%0.282SS..Hα-helixtrans-65.4-44.7176.5-64.9-176.1-56.2143.517.8111.5N536 L537 P538 V539 L543 D544 N545 E554N536-R541 HydrophobicContact CB-CG 3.6Å; N536-R541 WeakPolarHBondContact O-CD 3.13Å; N536-R541 WeakPolarHBondContact O-CG 3.23Å; L537-R541 WeakPolarHBondContact O-CG 3.31Å; L537-R541 PolarHBondContact O-N 3.45Å; P538-R541 PolarHBondContact O-N 2.84Å; V539-R541 PolarHBondContact O-N 3.43Å; R541-L543 VanDerWaalsContact C-N 3.34Å; R541-D544 PolarHBondContact O-N 2.55Å; R541-N545 VanDerWaalsContact O-CG 3.27Å; R541-N545 PolarHBondContact O-N 3.48Å; R541-N545 PolarHBondContact O-ND2 3.46Å; R541-E554 IonicContact CZ-OE1 4Å; R541-E554 IonicContact CZ-OE2 3.13Å; R541-E554 IonicContact NH1-OE1 3.53Å; R541-E554 IonicContact NH2-OE1 2.63Å; R541-E554 PolarHBondContact NH2-OE1 3.38Å; R541-E554 IonicContact NH2-OE2 3.47Å; R541-E554 PolarHBondContact NH2-OE2 2.89Å
542I94.3Very high86.2Confident4 Ų452 Ų522%0.02126%0.258CS..Hα-helixtrans-61.2-45.4176.2-71.9162.7000110.5V249 L255 P538 V539 N545 L546 T555 Y558V249-I542 HydrophobicContact CG1-CG2 4.14Å; L255-I542 HydrophobicContact CD1-CD1 3.75Å; L255-I542 HydrophobicContact CD2-CD1 3.28Å; L255-I542 HydrophobicContact CG-CD1 4.12Å; P538-I542 WeakPolarHBondContact O-CG1 3.38Å; P538-I542 PolarHBondContact O-N 2.77Å; V539-I542 PolarHBondContact O-N 2.86Å; I542-N545 PolarHBondContact O-N 3.03Å; I542-L546 HydrophobicContact CG2-CD1 3.81Å; I542-L546 HydrophobicContact CG2-CG 4.48Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 WeakPolarHBondContact O-CG 3.4Å; I542-L546 PolarHBondContact O-N 3.26Å; I542-T555 HydrophobicContact CB-CG2 4.2Å; I542-T555 HydrophobicContact CG1-CG2 4.09Å; I542-T555 HydrophobicContact CG2-CG2 3.92Å; I542-Y558 HydrophobicContact CG2-CE1 3.91Å
543L95.8Very high87.3Confident0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-58.3-50.6175.7-177.870.7000111.5V249 V539 T540 R541 N545 L546 M547 A583 V585 L599 Y602 V611V249-L543 HydrophobicContact CG2-CD1 3.89Å; V539-L543 WeakPolarHBondContact O-CB 3.33Å; V539-L543 PolarHBondContact O-N 3.19Å; T540-L543 PolarHBondContact O-N 2.91Å; R541-L543 VanDerWaalsContact C-N 3.34Å; L543-N545 VanDerWaalsContact C-N 3.31Å; L543-N545 PolarHBondContact O-N 3.25Å; L543-L546 PolarHBondContact O-N 3Å; L543-M547 HydrophobicContact CD1-CG 3.8Å; L543-M547 HydrophobicContact CD1-SD 3.73Å; L543-M547 HydrophobicContact CD2-SD 3.93Å; L543-M547 HydrophobicContact CG-CG 4Å; L543-M547 HydrophobicContact CG-SD 3.61Å; L543-M547 VanDerWaalsContact O-CB 3.31Å; L543-M547 WeakPolarHBondContact O-CB 3.36Å; L543-M547 VanDerWaalsContact O-CG 3.29Å; L543-M547 WeakPolarHBondContact O-CG 3.34Å; L543-M547 PolarHBondContact O-N 3.14Å; L543-A583 HydrophobicContact CD1-CB 3.54Å; L543-V585 HydrophobicContact CB-CG2 4.23Å; L543-V585 HydrophobicContact CD1-CG2 3.4Å; L543-V585 VanDerWaalsContact CD1-CG2 3.4Å; L543-V585 HydrophobicContact CD2-CG2 3.76Å; L543-V585 HydrophobicContact CG-CG2 3.98Å; L543-L599 HydrophobicContact CD2-CD2 3.57Å; L543-Y602 HydrophobicContact CD2-CD1 4.49Å; L543-Y602 HydrophobicContact CD2-CE1 4.34Å; L543-V611 HydrophobicContact CD2-CB 4.26Å; L543-V611 HydrophobicContact CD2-CG1 3.5Å; L543-V611 HydrophobicContact CD2-CG2 3.69Å
544D94.5Very high88.2Confident18 Ų1853 Ų5310%0.09627%0.273CS..Hα-helixtrans-58.1-44.1179.6-175.473000111.5T540 R541 L546 E548 K550 Y602T540-D544 PolarHBondContact O-N 2.99Å; R541-D544 PolarHBondContact O-N 2.55Å; D544-L546 PolarHBondContact O-N 2.85Å; D544-E548 VanDerWaalsContact O-CB 3.26Å; D544-E548 WeakPolarHBondContact O-CB 3.4Å; D544-E548 VanDerWaalsContact O-CG 3.32Å; D544-E548 WeakPolarHBondContact O-CG 3.35Å; D544-E548 PolarHBondContact O-N 3.44Å; D544-K550 IonicContact OD2-NZ 3.17Å; D544-K550 PolarHBondContact OD2-NZ 3.09Å; D544-Y602 HydrophobicContact CB-CE2 3.76Å; D544-Y602 WeakPolarHBondContact OD1-CE2 3.31Å; D544-Y602 PolarHBondContact OD1-OH 3.29Å
545N93.2Very high89.3Confident17 Ų1745 Ų459%0.09124%0.235CC..Hα-helixtrans-61.3-46.3178.2-68.7-31.1000111.8R541 I542 L543 M549 K550 N552 T555R541-N545 VanDerWaalsContact O-CG 3.27Å; R541-N545 PolarHBondContact O-N 3.48Å; R541-N545 PolarHBondContact O-ND2 3.46Å; I542-N545 PolarHBondContact O-N 3.03Å; L543-N545 VanDerWaalsContact C-N 3.31Å; L543-N545 PolarHBondContact O-N 3.25Å; N545-M549 WeakPolarHBondContact O-CA 3.38Å; N545-M549 PolarHBondContact O-N 2.97Å; N545-K550 PolarHBondContact O-N 3.28Å; N545-N552 HydrophobicContact CB-CB 4.39Å; N545-N552 PolarHBondContact ND2-ND2 3.46Å; N545-T555 HydrophobicContact CB-CG2 4.05Å
546L93Very high89.6Confident10 Ų1044.4 Ų44.45%0.05224%0.236CC..Hα-helixtrans-72.6-38.5-178.9-67.8173.5000112.7R201 L247 V249 I542 L543 D544 M549 T555 Y558R201-L546 HydrophobicContact CB-CD1 4.13Å; L247-L546 HydrophobicContact CD2-CB 3.91Å; V249-L546 HydrophobicContact CB-CD1 4.38Å; V249-L546 HydrophobicContact CG1-CD1 3.63Å; V249-L546 HydrophobicContact CG2-CB 4.49Å; V249-L546 HydrophobicContact CG2-CD1 3.82Å; I542-L546 HydrophobicContact CG2-CD1 3.81Å; I542-L546 HydrophobicContact CG2-CG 4.48Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 WeakPolarHBondContact O-CG 3.4Å; I542-L546 PolarHBondContact O-N 3.26Å; L543-L546 PolarHBondContact O-N 3Å; D544-L546 PolarHBondContact O-N 2.85Å; L546-M549 PolarHBondContact O-N 2.95Å; L546-T555 HydrophobicContact CD2-CG2 4.39Å; L546-T555 HydrophobicContact CG-CG2 4.16Å; L546-Y558 HydrophobicContact CD1-CD1 3.79Å; L546-Y558 HydrophobicContact CD1-CE1 4Å
547M92.6Very high89.5Confident0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-66.8-37.9177.2-74.7-173.179.500112L247 L543 P579 F580 A583 Y602 K609 V611L247-M547 HydrophobicContact CD2-CG 3.96Å; L543-M547 HydrophobicContact CD1-CG 3.8Å; L543-M547 HydrophobicContact CD1-SD 3.73Å; L543-M547 HydrophobicContact CD2-SD 3.93Å; L543-M547 HydrophobicContact CG-CG 4Å; L543-M547 HydrophobicContact CG-SD 3.61Å; L543-M547 VanDerWaalsContact O-CB 3.31Å; L543-M547 WeakPolarHBondContact O-CB 3.36Å; L543-M547 VanDerWaalsContact O-CG 3.29Å; L543-M547 WeakPolarHBondContact O-CG 3.34Å; L543-M547 PolarHBondContact O-N 3.14Å; M547-P579 CarbonylContact O-C 3.58Å; M547-P579 WeakPolarHBondContact O-CA 3.36Å; M547-P579 WeakPolarHBondContact O-CB 3.3Å; M547-F580 WeakPolarHBondContact CE-O 3.44Å; M547-F580 PolarHBondContact O-N 2.87Å; M547-A583 HydrophobicContact CE-CB 3.75Å; M547-A583 HydrophobicContact CG-CB 3.83Å; M547-A583 HydrophobicContact SD-CB 3.51Å; M547-A583 VanDerWaalsContact SD-CB 3.51Å; M547-Y602 HydrophobicContact SD-CE1 4.39Å; M547-K609 HydrophobicContact CE-CB 4.29Å; M547-K609 HydrophobicContact CE-CD 3.93Å; M547-K609 HydrophobicContact CE-CG 4.44Å; M547-V611 HydrophobicContact CE-CG2 4.45Å; M547-V611 HydrophobicContact SD-CG2 4.09Å
548E90.8Very high89.5Confident52 Ų5243.6 Ų43.624%0.24323%0.231CC..THydrogen-bonded Turntrans-89.7-1.9179.1-62.6-58.6138.500113.4D544 K550 K609D544-E548 VanDerWaalsContact O-CB 3.26Å; D544-E548 WeakPolarHBondContact O-CB 3.4Å; D544-E548 VanDerWaalsContact O-CG 3.32Å; D544-E548 WeakPolarHBondContact O-CG 3.35Å; D544-E548 PolarHBondContact O-N 3.44Å; E548-K550 HydrophobicContact CB-CD 4.01Å; E548-K550 HydrophobicContact CB-CG 3.85Å; E548-K550 PolarHBondContact O-N 2.86Å; E548-K609 WeakPolarHBondContact OE1-CE 3.48Å; E548-K609 IonicContact OE1-NZ 3.96Å; E548-K609 PolarHBondContact OE1-NZ 3.31Å
549M85.8Confident89.5Confident57 Ų5746.1 Ų46.128%0.28124%0.237SC..THydrogen-bonded Turntrans55.135.2-176-59.2-72.1-161.100113.2N545 L546 P574 F580N545-M549 WeakPolarHBondContact O-CA 3.38Å; N545-M549 PolarHBondContact O-N 2.97Å; L546-M549 PolarHBondContact O-N 2.95Å; M549-P574 HydrophobicContact CE-CB 4.36Å; M549-F580 HydrophobicContact CE-CD2 3.86Å; M549-F580 HydrophobicContact CE-CE2 3.11Å; M549-F580 HydrophobicContact CE-CZ 3.67Å; M549-F580 HydrophobicContact SD-CE2 4.12Å
550K86.5Confident89.5Confident93 Ų9347.5 Ų47.540%0.40424%0.242SC..  trans-78.1134.8176.1-64.8170.3-173.41660109.1D544 N545 E548 N552D544-K550 IonicContact OD2-NZ 3.17Å; D544-K550 PolarHBondContact OD2-NZ 3.09Å; N545-K550 PolarHBondContact O-N 3.28Å; E548-K550 HydrophobicContact CB-CD 4.01Å; E548-K550 HydrophobicContact CB-CG 3.85Å; E548-K550 PolarHBondContact O-N 2.86Å; K550-N552 PolarHBondContact O-N 3.41Å
551S82.3Confident89.3Confident101 Ų10148.3 Ų48.371%0.70625%0.245SC*.  trans-69.6129.2168.5171.70000109.1D556S551-D556 VanDerWaalsContact CA-OD1 3.3Å; S551-D556 WeakPolarHBondContact CA-OD1 3.45Å; S551-D556 PolarHBondContact OG-OD1 3.24Å; S551-D556 PolarHBondContact OG-OD2 2.85Å
552N84.4Confident89.2Confident42 Ų4244.3 Ų44.323%0.22523%0.231CC..  trans-152132.2178.4-172.8-49.2000108.1N545 K550 E554 T555 D556N545-N552 HydrophobicContact CB-CB 4.39Å; N545-N552 PolarHBondContact ND2-ND2 3.46Å; K550-N552 PolarHBondContact O-N 3.41Å; N552-E554 PolarHBondContact O-N 3.07Å; N552-E554 WeakPolarHBondContact OD1-CB 3.29Å; N552-E554 PolarHBondContact OD1-N 3.41Å; N552-T555 PolarHBondContact O-N 3.05Å; N552-T555 PolarHBondContact O-OG1 3.25Å; N552-D556 PolarHBondContact N-OD1 3.48Å; N552-D556 WeakPolarHBondContact O-CB 3.35Å; N552-D556 PolarHBondContact O-N 3.15Å
553P83.1Confident89Confident119 Ų11944.1 Ų44.177%0.77323%0.23SC*.THydrogen-bonded Turntrans-51.6-30.9177.6-27.734.7000114.4T555P553-T555 VanDerWaalsContact C-N 3.29Å; P553-T555 PolarHBondContact O-N 3.42Å
554E80.5Confident88.5Confident84 Ų8449.6 Ų49.639%0.39325%0.254SS..THydrogen-bonded Turntrans-71.4-18.5177.6-66.4-176.6175.500113.6R541 N552 Y558R541-E554 IonicContact CZ-OE1 4Å; R541-E554 IonicContact CZ-OE2 3.13Å; R541-E554 IonicContact NH1-OE1 3.53Å; R541-E554 IonicContact NH2-OE1 2.63Å; R541-E554 PolarHBondContact NH2-OE1 3.38Å; R541-E554 IonicContact NH2-OE2 3.47Å; R541-E554 PolarHBondContact NH2-OE2 2.89Å; N552-E554 PolarHBondContact O-N 3.07Å; N552-E554 WeakPolarHBondContact OD1-CB 3.29Å; N552-E554 PolarHBondContact OD1-N 3.41Å; E554-Y558 WeakPolarHBondContact O-CE2 3.4Å
555T86.2Confident88Confident2 Ų251.1 Ų51.11%0.01226%0.261CS..THydrogen-bonded Turntrans-128.6-9-173.159.10000114.9I542 N545 L546 N552 P553 D557 Y558I542-T555 HydrophobicContact CB-CG2 4.2Å; I542-T555 HydrophobicContact CG1-CG2 4.09Å; I542-T555 HydrophobicContact CG2-CG2 3.92Å; N545-T555 HydrophobicContact CB-CG2 4.05Å; L546-T555 HydrophobicContact CD2-CG2 4.39Å; L546-T555 HydrophobicContact CG-CG2 4.16Å; N552-T555 PolarHBondContact O-N 3.05Å; N552-T555 PolarHBondContact O-OG1 3.25Å; P553-T555 VanDerWaalsContact C-N 3.29Å; P553-T555 PolarHBondContact O-N 3.42Å; T555-D557 VanDerWaalsContact C-N 3.26Å; T555-D557 PolarHBondContact O-N 3.29Å; T555-Y558 WeakPolarHBondContact O-CB 3.13Å; T555-Y558 PolarHBondContact O-N 3.21Å
556D84.6Confident86.8Confident88 Ų8854.2 Ų54.247%0.47128%0.277SS..THydrogen-bonded Turntrans-67.3-26.9-176.6-76.2-12.8000112.4S551 N552S551-D556 VanDerWaalsContact CA-OD1 3.3Å; S551-D556 WeakPolarHBondContact CA-OD1 3.45Å; S551-D556 PolarHBondContact OG-OD1 3.24Å; S551-D556 PolarHBondContact OG-OD2 2.85Å; N552-D556 PolarHBondContact N-OD1 3.48Å; N552-D556 WeakPolarHBondContact O-CB 3.35Å; N552-D556 PolarHBondContact O-N 3.15Å
557D85.6Confident85.4Confident79 Ų7964.7 Ų64.742%0.42232%0.316SS..THydrogen-bonded Turntrans-88.4-7.7178.873.3-26.7000114.1R204 T555 R559R204-D557 PolarHBondContact NE-O 2.94Å; T555-D557 VanDerWaalsContact C-N 3.26Å; T555-D557 PolarHBondContact O-N 3.29Å; D557-R559 PolarHBondContact O-N 2.92Å
558Y91.8Very high83.5Confident13 Ų1368.1 Ų68.15%0.05135%0.352CS..  trans-57.8129.8-179.6-87.6-130.3000110.4R201 C202 P203 V249 I542 L546 E554 T555R201-Y558 HydrophobicContact CB-CD1 4.29Å; R201-Y558 PolarHBondContact NH2-O 3.42Å; R201-Y558 VanDerWaalsContact NH2-O 3.13Å; C202-Y558 VanDerWaalsContact C-CD1 3.44Å; C202-Y558 CarbonylContact O-C 3.57Å; C202-Y558 WeakPolarHBondContact O-CA 3.42Å; C202-Y558 WeakPolarHBondContact O-CB 3.22Å; P203-Y558 HydrophobicContact CB-CE2 4.09Å; V249-Y558 HydrophobicContact CG1-CE1 4.42Å; I542-Y558 HydrophobicContact CG2-CE1 3.91Å; L546-Y558 HydrophobicContact CD1-CD1 3.79Å; L546-Y558 HydrophobicContact CD1-CE1 4Å; E554-Y558 WeakPolarHBondContact O-CE2 3.4Å; T555-Y558 WeakPolarHBondContact O-CB 3.13Å; T555-Y558 PolarHBondContact O-N 3.21Å
559R92.4Very high81.5Confident81 Ų8168.8 Ų68.831%0.30636%0.362SS..EExtended strand (participates in β ladder)trans-66.8152.8176.4-61.9-166.664.9-173.2-2.7110.4R201 C202 R204 E209 D557 F561R201-R559 VanDerWaalsContact CA-O 3.27Å; R201-R559 WeakPolarHBondContact CA-O 3.26Å; R201-R559 WeakPolarHBondContact CD-O 3.32Å; R201-R559 PolarHBondContact NE-O 2.94Å; C202-R559 PolarHBondContact N-O 2.94Å; C202-R559 PolarHBondContact O-N 3.26Å; R204-R559 HydrophobicContact CG-CG 3.78Å; E209-R559 WeakPolarHBondContact OE1-CD 3.35Å; E209-R559 IonicContact OE1-CZ 3.29Å; E209-R559 IonicContact OE1-NE 2.7Å; E209-R559 IonicContact OE1-NH1 3Å; E209-R559 PolarHBondContact OE1-NH1 3.38Å; D557-R559 PolarHBondContact O-N 2.92Å; R559-F561 HydrophobicContact CB-CD2 4.39Å; R559-F561 HydrophobicContact CB-CE2 3.59Å; R559-F561 HydrophobicContact CB-CZ 4.06Å; R559-F561 VanDerWaalsContact CZ-CZ 3.46Å
560Y92.4Very high79.9Confident36 Ų3675.7 Ų75.714%0.14139%0.394CS..EExtended strand (participates in β ladder)trans-120.9126.5177.9177.2-83.7000109.2I199 D562 P574I199-Y560 HydrophobicContact CG2-CD2 4Å; I199-Y560 HydrophobicContact CG2-CE2 3.35Å; Y560-D562 HydrophobicContact CE1-CB 3.8Å; Y560-P574 HydrophobicContact CD2-CB 4.08Å; Y560-P574 HydrophobicContact CE2-CB 3.71Å
561F92Very high78.2Confident17 Ų1773.4 Ų73.48%0.07539%0.389CS..EExtended strand (participates in β ladder)trans-126.8136.2172-49.9-100.8000110.9I200 A212 V213 D216 R559I200-F561 HydrophobicContact CB-CB 4.1Å; I200-F561 HydrophobicContact CB-CD2 4.29Å; I200-F561 HydrophobicContact CG2-CD2 4.32Å; I200-F561 PolarHBondContact N-O 3.46Å; I200-F561 PolarHBondContact O-N 3.03Å; A212-F561 HydrophobicContact CB-CD2 4.22Å; A212-F561 HydrophobicContact CB-CE2 3.8Å; A212-F561 HydrophobicContact CB-CZ 4.37Å; V213-F561 HydrophobicContact CG2-CE1 3.87Å; V213-F561 HydrophobicContact CG2-CZ 3.72Å; D216-F561 HydrophobicContact CB-CB 4.09Å; D216-F561 HydrophobicContact CB-CD1 4.14Å; D216-F561 HydrophobicContact CB-CG 4.3Å; R559-F561 HydrophobicContact CB-CD2 4.39Å; R559-F561 HydrophobicContact CB-CE2 3.59Å; R559-F561 HydrophobicContact CB-CZ 4.06Å; R559-F561 VanDerWaalsContact CZ-CZ 3.46Å
562D90.6Very high76.9Confident17 Ų1771.9 Ų71.99%0.09138%0.379CS..  trans-123.796.2174.7-172.9-22.3000110.9R220 R245 Y560 K564 M565R220-D562 VanDerWaalsContact CZ-O 3.23Å; R220-D562 PolarHBondContact NH1-O 3.07Å; R220-D562 PolarHBondContact NH2-O 3.13Å; R245-D562 IonicContact CZ-OD1 2.88Å; R245-D562 IonicContact CZ-OD2 3.69Å; R245-D562 IonicContact NH1-OD1 3.37Å; R245-D562 PolarHBondContact NH1-OD1 3.37Å; R245-D562 IonicContact NH1-OD2 2.91Å; R245-D562 PolarHBondContact NH1-OD2 2.78Å; R245-D562 IonicContact NH2-OD1 3.29Å; R245-D562 PolarHBondContact NH2-OD1 2.83Å; Y560-D562 HydrophobicContact CE1-CB 3.8Å; D562-K564 PolarHBondContact O-N 3.17Å; D562-K564 VanDerWaalsContact O-N 3.16Å; D562-K564 PolarHBondContact OD1-N 2.74Å; D562-M565 HydrophobicContact CB-CB 4.21Å; D562-M565 HydrophobicContact CB-CG 4Å; D562-M565 HydrophobicContact CB-SD 4.03Å; D562-M565 PolarHBondContact O-N 2.99Å; D562-M565 PolarHBondContact OD1-N 3.17Å
563P90.1Very high75.7Confident0 Ų074.1 Ų74.10%039%0.394CS..THydrogen-bonded Turntrans-60.5-24.2-178.5-24.831.2000115.1V197 P198 I200 D216 L219 R220 L223 M565V197-P563 HydrophobicContact CG1-CB 3.76Å; V197-P563 HydrophobicContact CG1-CG 4.16Å; P198-P563 WeakPolarHBondContact O-CD 3.31Å; I200-P563 HydrophobicContact CD1-CG 4.22Å; D216-P563 WeakPolarHBondContact OD1-CG 3.37Å; L219-P563 HydrophobicContact CB-CB 3.75Å; L219-P563 HydrophobicContact CB-CG 4.15Å; L219-P563 HydrophobicContact CD1-CB 4.27Å; L219-P563 HydrophobicContact CD1-CG 3.8Å; R220-P563 HydrophobicContact CG-CB 4.26Å; R220-P563 WeakPolarHBondContact CG-O 3.13Å; L223-P563 HydrophobicContact CD1-CB 4.41Å; P563-M565 VanDerWaalsContact C-N 3.33Å
564K86.4Confident74.8Confident116 Ų11670.2 Ų70.250%0.50437%0.369SS..THydrogen-bonded Turntrans-77.2-19.1177.3-68.3-163.2180-169.70112.6V197 L223 D562 L566V197-K564 HydrophobicContact CB-CG 4.27Å; V197-K564 HydrophobicContact CG1-CG 3.95Å; L223-K564 HydrophobicContact CD1-CG 4.25Å; D562-K564 PolarHBondContact O-N 3.17Å; D562-K564 VanDerWaalsContact O-N 3.16Å; D562-K564 PolarHBondContact OD1-N 2.74Å; K564-L566 PolarHBondContact O-N 3.14Å
565M83.8Confident73.9Confident50 Ų5075.2 Ų75.225%0.24638%0.384CS..  trans-81.180.6177-72.8-174.661.300111.2R220 D562 P563 R567 R575R220-M565 PolarHBondContact NH1-O 3.24Å; D562-M565 HydrophobicContact CB-CB 4.21Å; D562-M565 HydrophobicContact CB-CG 4Å; D562-M565 HydrophobicContact CB-SD 4.03Å; D562-M565 PolarHBondContact O-N 2.99Å; D562-M565 PolarHBondContact OD1-N 3.17Å; P563-M565 VanDerWaalsContact C-N 3.33Å; M565-R567 PolarHBondContact O-N 3.35Å; M565-R575 VanDerWaalsContact CE-CZ 3.45Å
566L68.2Low72.8Confident82 Ų8279.8 Ų79.843%0.42941%0.408SS..  trans-59.7-20.5-174-65.4175.1000115.3R224 K564R224-L566 HydrophobicContact CG-CD2 3.77Å; K564-L566 PolarHBondContact O-N 3.14Å
567R62.8Low72.1Confident229 Ų22984 Ų8486%0.86442%0.422SS*.SBendtrans-101.5103170.1-64.8-173.8-177.6178.31108.4M565 S569M565-R567 PolarHBondContact O-N 3.35Å; R567-S569 PolarHBondContact O-N 3.24Å; R567-S569 VanDerWaalsContact O-N 3.14Å
568G53.6Low71.9Confident73 Ų7385.4 Ų85.475%0.75343%0.43SS*.  trans-60.4114.2177.100000110.1
569S49.2Very low71.7Confident65 Ų6587.8 Ų87.846%0.45545%0.447SS..  trans-92.7128.4150.71760000104.9R567 S571R567-S569 PolarHBondContact O-N 3.24Å; R567-S569 VanDerWaalsContact O-N 3.14Å; S569-S571 WeakPolarHBondContact CB-OG 3.29Å; S569-S571 PolarHBondContact O-N 3.44Å; S569-S571 WeakPolarHBondContact OG-CB 3.32Å; S569-S571 PolarHBondContact OG-N 3.28Å; S569-S571 PolarHBondContact OG-OG 2.74Å
570E50.8Low71.7Confident203 Ų20385.1 Ų85.195%0.94944%0.438SS*.  trans-61.15.6170.7-64.2-179.8155.700113S572E570-S572 PolarHBondContact O-N 2.97Å
571S51.3Low71.6Confident45 Ų4588 Ų8832%0.31545%0.453SS..  trans-66.4103.4173.650.10000110S569 T573S569-S571 WeakPolarHBondContact CB-OG 3.29Å; S569-S571 PolarHBondContact O-N 3.44Å; S569-S571 WeakPolarHBondContact OG-CB 3.32Å; S569-S571 PolarHBondContact OG-N 3.28Å; S569-S571 PolarHBondContact OG-OG 2.74Å; S571-T573 PolarHBondContact O-N 3.28Å
572S56.3Low71.7Confident68 Ų6889.4 Ų89.448%0.47646%0.459SS..  trans-63.713.2170.951.20000114.3E570E570-S572 PolarHBondContact O-N 2.97Å
573T59.3Low72Confident89 Ų8988.7 Ų88.755%0.54646%0.456SS..SBendtrans-113.5128.6-169.645.20000111.9S571 R575S571-T573 PolarHBondContact O-N 3.28Å; T573-R575 PolarHBondContact O-N 2.64Å
574P62.6Low72.3Confident38 Ų3889 Ų8925%0.24746%0.457CS..  trans-62.3124.5176.321-28.1000110.3M549 Y560 N576M549-P574 HydrophobicContact CE-CB 4.36Å; Y560-P574 HydrophobicContact CD2-CB 4.08Å; Y560-P574 HydrophobicContact CE2-CB 3.71Å; P574-N576 VanDerWaalsContact C-N 3.26Å; P574-N576 PolarHBondContact O-N 3.35Å
575R61.8Low72.9Confident188 Ų18883.5 Ų83.571%0.70943%0.434SS*.SBendtrans-70.2-23.3176.9-71.8-174177.3-175.8-0.9113.1M565 T573M565-R575 VanDerWaalsContact CE-CZ 3.45Å; T573-R575 PolarHBondContact O-N 2.64Å
576N64.1Low73.6Confident98 Ų9881.1 Ų81.152%0.52442%0.422SS..  trans-113.8127179.1-167.6-4.3000109.4P574 N578P574-N576 VanDerWaalsContact C-N 3.26Å; P574-N576 PolarHBondContact O-N 3.35Å; N576-N578 VanDerWaalsContact OD1-CG 3.32Å; N576-N578 PolarHBondContact OD1-N 3.49Å; N576-N578 PolarHBondContact OD1-ND2 2.66Å
577K69.8Low75.1Confident177 Ų17777.3 Ų77.377%0.7740%0.402SS*.  trans-96.77-178.5-67.1-171.8176.2-174.70113.4
578N81Confident76.7Confident108 Ų10866.4 Ų66.458%0.57836%0.361SS*.PPolyproline II helixtrans-71.1139.6178.4-68.3-10.8000110.9N576N576-N578 VanDerWaalsContact OD1-CG 3.32Å; N576-N578 PolarHBondContact OD1-N 3.49Å; N576-N578 PolarHBondContact OD1-ND2 2.66Å
579P88.2Confident78.6Confident63 Ų6363 Ų6341%0.40933%0.326SS..PPolyproline II helixtrans-59.1146.9172.9-25.634.9000112.5M547M547-P579 CarbonylContact O-C 3.58Å; M547-P579 WeakPolarHBondContact O-CA 3.36Å; M547-P579 WeakPolarHBondContact O-CB 3.3Å
580F91.2Very high80.8Confident26 Ų2659.9 Ų59.911%0.11430%0.304CS..PPolyproline II helixtrans-81.1136.2175.7-67.2-80.8000111.3I199 L247 M547 M549 K609I199-F580 HydrophobicContact CB-CZ 4.48Å; I199-F580 HydrophobicContact CD1-CE1 3.86Å; I199-F580 HydrophobicContact CD1-CZ 4.08Å; I199-F580 HydrophobicContact CG2-CZ 4.3Å; L247-F580 HydrophobicContact CB-CB 4.13Å; L247-F580 HydrophobicContact CB-CD1 3.84Å; L247-F580 HydrophobicContact CB-CD2 3.9Å; L247-F580 HydrophobicContact CB-CE1 4.16Å; L247-F580 HydrophobicContact CB-CE2 4.17Å; L247-F580 HydrophobicContact CB-CG 3.7Å; L247-F580 HydrophobicContact CB-CZ 4.32Å; L247-F580 HydrophobicContact CD1-CD2 4.24Å; L247-F580 HydrophobicContact CD1-CE2 3.79Å; L247-F580 HydrophobicContact CD1-CZ 4.03Å; L247-F580 HydrophobicContact CD2-CD2 3.76Å; L247-F580 HydrophobicContact CD2-CE2 4.1Å; L247-F580 HydrophobicContact CD2-CG 4.3Å; L247-F580 HydrophobicContact CG-CD2 4.18Å; L247-F580 HydrophobicContact CG-CE2 4.23Å; L247-F580 HydrophobicContact CG-CG 4.47Å; M547-F580 WeakPolarHBondContact CE-O 3.44Å; M547-F580 PolarHBondContact O-N 2.87Å; M549-F580 HydrophobicContact CE-CD2 3.86Å; M549-F580 HydrophobicContact CE-CE2 3.11Å; M549-F580 HydrophobicContact CE-CZ 3.67Å; M549-F580 HydrophobicContact SD-CE2 4.12Å; F580-K609 WeakPolarHBondContact O-CD 3.45Å; F580-K609 PolarHBondContact O-NZ 3.25Å
581Q91.8Very high82.9Confident97 Ų9750.2 Ų50.245%0.45326%0.259SS..SBendtrans-87.8-28.8172.6-66-179.3-7.600112.2Q244 K609 R610Q244-Q581 VanDerWaalsContact OE1-CG 3.3Å; Q581-K609 CarbonylContact O-C 3.57Å; Q581-K609 VanDerWaalsContact O-CA 3.28Å; Q581-K609 WeakPolarHBondContact O-CA 3.36Å; Q581-R610 PolarHBondContact O-N 2.89Å
582E93.3Very high85.1Confident45 Ų4548.4 Ų48.421%0.2125%0.246CC..EExtended strand (participates in β ladder)trans-123.3131.9-177.7-63.7179.4-173.400109.9P246 L247 R610P246-E582 WeakPolarHBondContact CA-O 3.45Å; P246-E582 HydrophobicContact CB-CB 4.09Å; L247-E582 PolarHBondContact N-O 3.26Å; E582-R610 WeakPolarHBondContact CA-O 3.44Å; E582-R610 HydrophobicContact CG-CB 4.37Å; E582-R610 IonicContact OE1-CZ 3.61Å; E582-R610 IonicContact OE1-NE 3.2Å; E582-R610 IonicContact OE1-NH2 3.83Å; E582-R610 PolarHBondContact OE1-NH2 3.26Å
583A96.3Very high87Confident3 Ų345.4 Ų45.43%0.02522%0.224CC..EExtended strand (participates in β ladder)trans-135.215117300000111.8L247 L543 M547 R610 V611 L612L247-A583 HydrophobicContact CB-CB 4.16Å; L247-A583 HydrophobicContact CD2-CB 4.5Å; L247-A583 CarbonylContact O-C 3.55Å; L247-A583 WeakPolarHBondContact O-CA 3.43Å; L543-A583 HydrophobicContact CD1-CB 3.54Å; M547-A583 HydrophobicContact CE-CB 3.75Å; M547-A583 HydrophobicContact CG-CB 3.83Å; M547-A583 HydrophobicContact SD-CB 3.51Å; M547-A583 VanDerWaalsContact SD-CB 3.51Å; A583-R610 PolarHBondContact N-O 2.91Å; A583-V611 CarbonylContact O-C 3.59Å; A583-V611 WeakPolarHBondContact O-CA 3.21Å; A583-L612 PolarHBondContact O-N 3.02Å
584I98Very high88.8Confident6 Ų642.6 Ų42.63%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-121.7123.5171.3-62.7147.9000106F151 F190 F191 L194 P246 L247 F248 V249 L612F151-I584 HydrophobicContact CE1-CG2 4.25Å; F190-I584 HydrophobicContact CE1-CD1 4.02Å; F190-I584 HydrophobicContact CE1-CG2 4.28Å; F190-I584 HydrophobicContact CZ-CD1 4.37Å; F190-I584 HydrophobicContact CZ-CG2 4.36Å; F191-I584 HydrophobicContact CE1-CD1 3.57Å; F191-I584 HydrophobicContact CZ-CD1 4.06Å; L194-I584 HydrophobicContact CD2-CD1 3.69Å; P246-I584 HydrophobicContact CB-CD1 4.03Å; P246-I584 HydrophobicContact CG-CD1 4.13Å; L247-I584 PolarHBondContact O-N 3.05Å; F248-I584 CarbonylContact C-O 3.52Å; F248-I584 WeakPolarHBondContact CA-O 3.02Å; F248-I584 HydrophobicContact CD2-CB 3.87Å; F248-I584 HydrophobicContact CD2-CG2 3.62Å; F248-I584 HydrophobicContact CE2-CG2 3.79Å; V249-I584 PolarHBondContact N-O 2.97Å; I584-L612 CarbonylContact C-O 3.51Å; I584-L612 VanDerWaalsContact CA-O 3.26Å; I584-L612 WeakPolarHBondContact CA-O 3.43Å; I584-L612 HydrophobicContact CG1-CB 4.14Å; I584-L612 HydrophobicContact CG1-CD2 4.35Å; I584-L612 HydrophobicContact CG2-CD2 3.91Å
585V98.2Very high90.4Very high1 Ų140.9 Ų40.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-103.8129.5174.4179.40000108.1V249 V539 L543 L599 V611 L612 Y613 G614V249-V585 CarbonylContact O-C 3.58Å; V249-V585 WeakPolarHBondContact O-CA 3.1Å; V539-V585 HydrophobicContact CG1-CG1 3.47Å; V539-V585 VanDerWaalsContact CG1-CG1 3.47Å; L543-V585 HydrophobicContact CB-CG2 4.23Å; L543-V585 HydrophobicContact CD1-CG2 3.4Å; L543-V585 VanDerWaalsContact CD1-CG2 3.4Å; L543-V585 HydrophobicContact CD2-CG2 3.76Å; L543-V585 HydrophobicContact CG-CG2 3.98Å; V585-L599 HydrophobicContact CB-CD1 4.26Å; V585-L599 HydrophobicContact CG2-CD1 4.3Å; V585-V611 HydrophobicContact CG2-CG1 4.26Å; V585-L612 PolarHBondContact N-O 3.13Å; V585-Y613 HydrophobicContact CG1-CD2 4.45Å; V585-Y613 CarbonylContact O-C 3.38Å; V585-G614 PolarHBondContact O-N 3.2Å
586F98.6Very high92.1Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-128.3124174.8-175-91.5000112.1F151 L153 I183 L187 F248 V249 L250 A251 V588 G614 C615F151-F586 HydrophobicContact CE1-CD2 4.45Å; F151-F586 AromaticContact CE2-CD2 3.98Å; F151-F586 HydrophobicContact CE2-CD2 3.98Å; F151-F586 AromaticContact CE2-CE2 3.98Å; F151-F586 HydrophobicContact CE2-CE2 3.98Å; F151-F586 AromaticContact CZ-CD2 3.62Å; F151-F586 HydrophobicContact CZ-CD2 3.62Å; F151-F586 HydrophobicContact CZ-CE2 4.12Å; L153-F586 HydrophobicContact CD1-CE2 4.16Å; L153-F586 HydrophobicContact CD1-CZ 3.56Å; L153-F586 HydrophobicContact CD2-CE2 3.7Å; L153-F586 HydrophobicContact CD2-CZ 3.99Å; L153-F586 HydrophobicContact CG-CE2 3.83Å; L153-F586 HydrophobicContact CG-CZ 3.72Å; I183-F586 HydrophobicContact CG2-CE1 4.01Å; I183-F586 HydrophobicContact CG2-CZ 4.3Å; L187-F586 HydrophobicContact CD1-CD1 4.24Å; L187-F586 HydrophobicContact CD1-CE1 4.18Å; L187-F586 HydrophobicContact CD2-CD1 4.39Å; L187-F586 HydrophobicContact CD2-CD2 3.73Å; L187-F586 HydrophobicContact CD2-CE1 4.47Å; L187-F586 HydrophobicContact CD2-CE2 3.83Å; L187-F586 HydrophobicContact CD2-CG 4.03Å; L187-F586 HydrophobicContact CD2-CZ 4.21Å; F248-F586 HydrophobicContact CE2-CB 3.44Å; F248-F586 VanDerWaalsContact CE2-CB 3.44Å; F248-F586 HydrophobicContact CE2-CG 4.36Å; F248-F586 HydrophobicContact CZ-CB 3.66Å; F248-F586 HydrophobicContact CZ-CG 4.22Å; V249-F586 PolarHBondContact O-N 2.8Å; L250-F586 WeakPolarHBondContact CA-O 3.41Å; L250-F586 HydrophobicContact CD2-CB 4.08Å; L250-F586 HydrophobicContact CD2-CD1 3.7Å; L250-F586 HydrophobicContact CD2-CG 4.32Å; A251-F586 PolarHBondContact N-O 2.82Å; F586-V588 HydrophobicContact CD1-CG2 4.03Å; F586-V588 HydrophobicContact CE1-CG2 3.95Å; F586-G614 CarbonylContact C-O 3.59Å; F586-G614 VanDerWaalsContact CA-O 3.24Å; F586-G614 WeakPolarHBondContact CA-O 3.4Å; F586-G614 VanDerWaalsContact CD2-C 3.48Å; F586-C615 WeakPolarHBondContact CE2-O 3.35Å; F586-C615 VanDerWaalsContact CZ-C 3.47Å
587V98.3Very high93.7Very high1 Ų127.9 Ų27.91%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-98.9116.6178.2-166.90000111.1A251 R253 V539 G590 Y613 G614 C615 S616A251-V587 HydrophobicContact CB-CG2 4.32Å; A251-V587 WeakPolarHBondContact O-CA 3.49Å; R253-V587 HydrophobicContact CB-CG1 4.38Å; V539-V587 HydrophobicContact CG2-CG2 4.5Å; V587-G590 WeakPolarHBondContact CG1-O 3.31Å; V587-Y613 HydrophobicContact CG2-CE2 3.86Å; V587-G614 PolarHBondContact N-O 3.38Å; V587-C615 HydrophobicContact CB-CB 4.43Å; V587-C615 WeakPolarHBondContact O-CA 3.13Å; V587-S616 PolarHBondContact O-N 3.3Å; V587-S616 VanDerWaalsContact O-N 3.16Å
588V97.5Very high94.9Very high1 Ų120.7 Ų20.71%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-80.6130.6172-176.80000109I166 I183 A207 A208 V211 L250 A251 R253 F586I166-V588 HydrophobicContact CD1-CG1 3.85Å; I183-V588 HydrophobicContact CD1-CG1 4.26Å; A207-V588 HydrophobicContact CB-CG1 3.8Å; A208-V588 HydrophobicContact CB-CG2 4.27Å; V211-V588 HydrophobicContact CG2-CG2 4.16Å; L250-V588 HydrophobicContact CD2-CG2 4.23Å; A251-V588 PolarHBondContact O-N 3.32Å; R253-V588 WeakPolarHBondContact CB-O 3.48Å; R253-V588 PolarHBondContact N-O 3.49Å; F586-V588 HydrophobicContact CD1-CG2 4.03Å; F586-V588 HydrophobicContact CE1-CG2 3.95Å
589G94Very high95.6Very high1 Ų115.7 Ų15.71%0.018%0.081CC..THydrogen-bonded Turntrans87.423.6-172.200000113.1Y163 R253 S616Y163-G589 WeakPolarHBondContact CB-O 3.38Å; R253-G589 WeakPolarHBondContact CB-O 3.49Å; R253-G589 WeakPolarHBondContact CG-O 3.44Å; G589-S616 PolarHBondContact N-OG 3.43Å
590G94.6Very high96Very high0 Ų013.6 Ų13.60%07%0.067CC..  trans88.5162.2167.700000115.8R253 V587 S616 E617R253-G590 VanDerWaalsContact CZ-O 3.3Å; R253-G590 PolarHBondContact NE-O 3.24Å; R253-G590 PolarHBondContact NH2-O 2.87Å; V587-G590 WeakPolarHBondContact CG1-O 3.31Å; G590-S616 PolarHBondContact N-OG 3.22Å; G590-E617 CarbonylContact C-O 3.52Å; G590-E617 WeakPolarHBondContact CA-O 3.48Å
591G96Very high96.1Very high0 Ų014.8 Ų14.80%07%0.074CC..BIsolated β-bridgetrans-138.8175.1-170.200000112.7Y613 E617 F619G591-Y613 WeakPolarHBondContact CA-OH 3.38Å; G591-E617 PolarHBondContact N-O 2.89Å; G591-F619 PolarHBondContact O-N 2.99Å; G591-F619 VanDerWaalsContact O-N 3.12Å
592N96.1Very high96.2Very high7 Ų710.6 Ų10.64%0.0376%0.055CC..  trans-148.9164.1-179.36566.1000111.7I594 E595 Y596 Y613N592-I594 VanDerWaalsContact C-N 3.26Å; N592-I594 PolarHBondContact O-N 2.9Å; N592-I594 WeakPolarHBondContact OD1-CA 3.09Å; N592-I594 WeakPolarHBondContact OD1-CB 3.16Å; N592-I594 PolarHBondContact OD1-N 2.72Å; N592-E595 PolarHBondContact O-N 3.06Å; N592-E595 PolarHBondContact OD1-N 2.7Å; N592-Y596 PolarHBondContact O-N 3.18Å; N592-Y613 PolarHBondContact N-OH 3.31Å; N592-Y613 VanDerWaalsContact N-OH 3.16Å
593Y97.5Very high96.2Very high5 Ų59.9 Ų9.92%0.025%0.053CC..Hα-helixtrans-70.5-17.9179.8-77.6-69000114.2M150 Q268 H272 F277 Y596 Q597 L618M150-Y593 HydrophobicContact CE-CD1 4.26Å; M150-Y593 HydrophobicContact CE-CE1 3.95Å; M150-Y593 HydrophobicContact SD-CD1 4.05Å; M150-Y593 HydrophobicContact SD-CE1 3.61Å; Q268-Y593 HydrophobicContact CG-CD1 3.65Å; Q268-Y593 HydrophobicContact CG-CD2 4.3Å; Q268-Y593 HydrophobicContact CG-CE1 3.8Å; Q268-Y593 HydrophobicContact CG-CE2 4.4Å; Q268-Y593 HydrophobicContact CG-CG 3.92Å; H272-Y593 HydrophobicContact CB-CD2 3.64Å; H272-Y593 HydrophobicContact CB-CE2 3.99Å; H272-Y593 AromaticContact CD2-CE2 3.88Å; H272-Y593 AromaticContact CG-CD2 3.57Å; H272-Y593 AromaticContact CG-CE2 3.76Å; H272-Y593 AromaticContact ND1-CD2 3.63Å; F277-Y593 HydrophobicContact CD1-CE2 4.05Å; F277-Y593 AromaticContact CE1-CE2 3.68Å; F277-Y593 HydrophobicContact CE1-CE2 3.68Å; F277-Y593 AromaticContact CE1-CZ 3.82Å; Y593-Y596 AromaticContact CD1-CD1 3.98Å; Y593-Y596 HydrophobicContact CD1-CD1 3.98Å; Y593-Q597 VanDerWaalsContact O-CB 3.25Å; Y593-Q597 WeakPolarHBondContact O-CB 3.43Å; Y593-Q597 PolarHBondContact O-N 3.37Å; Y593-L618 HydrophobicContact CD2-CD1 4.48Å; Y593-L618 HydrophobicContact CD2-CD2 4.32Å; Y593-L618 HydrophobicContact CE1-CD2 4.44Å; Y593-L618 HydrophobicContact CE2-CD2 3.59Å; Y593-L618 HydrophobicContact CE2-CG 4.36Å
594I96Very high96Very high30 Ų3016.6 Ų16.615%0.1548%0.082CC..Hα-helixtrans-68.9-46.2177.6-50.4174.5000109.3T259 H262 A269 L537 N592 Q597 N598T259-I594 HydrophobicContact CG2-CB 4.1Å; T259-I594 HydrophobicContact CG2-CG2 4.03Å; T259-I594 WeakPolarHBondContact O-CD1 3.3Å; H262-I594 HydrophobicContact CB-CD1 4.26Å; A269-I594 HydrophobicContact CB-CG1 4.21Å; L537-I594 HydrophobicContact CD1-CG2 4.13Å; N592-I594 VanDerWaalsContact C-N 3.26Å; N592-I594 PolarHBondContact O-N 2.9Å; N592-I594 WeakPolarHBondContact OD1-CA 3.09Å; N592-I594 WeakPolarHBondContact OD1-CB 3.16Å; N592-I594 PolarHBondContact OD1-N 2.72Å; I594-Q597 PolarHBondContact O-N 2.93Å; I594-N598 WeakPolarHBondContact O-CB 3.27Å; I594-N598 PolarHBondContact O-N 3.28Å
595E96.6Very high95.7Very high2 Ų219.8 Ų19.81%0.00911%0.109CC..Hα-helixtrans-63-46.2174.7-68.2179.2156.300112.1R253 T259 L537 N592 Q597 N598 L599 Y613R253-E595 IonicContact CZ-OE1 2.81Å; R253-E595 VanDerWaalsContact CZ-OE1 3.26Å; R253-E595 IonicContact CZ-OE2 3.05Å; R253-E595 IonicContact NH1-OE1 2.64Å; R253-E595 PolarHBondContact NH1-OE1 3.3Å; R253-E595 IonicContact NH1-OE2 3.51Å; R253-E595 IonicContact NH2-OE1 3.37Å; R253-E595 PolarHBondContact NH2-OE1 3.4Å; R253-E595 IonicContact NH2-OE2 2.71Å; R253-E595 PolarHBondContact NH2-OE2 3.35Å; T259-E595 HydrophobicContact CG2-CG 3.91Å; L537-E595 HydrophobicContact CD1-CG 4.35Å; N592-E595 PolarHBondContact O-N 3.06Å; N592-E595 PolarHBondContact OD1-N 2.7Å; E595-Q597 PolarHBondContact O-N 3.46Å; E595-N598 PolarHBondContact O-N 2.93Å; E595-L599 WeakPolarHBondContact O-CG 3.26Å; E595-L599 PolarHBondContact O-N 3.01Å; E595-Y613 HydrophobicContact CB-CE2 4.11Å; E595-Y613 PolarHBondContact OE2-OH 3.15Å
596Y97.6Very high95.3Very high4 Ų423.4 Ų23.42%0.01613%0.125CC..Hα-helixtrans-55.2-52.6175.1168.8-113.5000111.1E147 D149 M150 N592 Y593 N598 L599 V600 Y613E147-Y596 WeakPolarHBondContact CB-OH 3.26Å; E147-Y596 HydrophobicContact CG-CE1 4Å; D149-Y596 VanDerWaalsContact OD1-CE2 3.28Å; D149-Y596 WeakPolarHBondContact OD1-CE2 3.08Å; D149-Y596 PolarHBondContact OD1-OH 2.97Å; M150-Y596 HydrophobicContact CB-CD2 4.04Å; M150-Y596 HydrophobicContact CB-CE2 3.84Å; M150-Y596 HydrophobicContact CG-CD2 4.28Å; M150-Y596 HydrophobicContact SD-CD1 4.21Å; M150-Y596 HydrophobicContact SD-CD2 4.18Å; M150-Y596 HydrophobicContact SD-CG 3.96Å; N592-Y596 PolarHBondContact O-N 3.18Å; Y593-Y596 AromaticContact CD1-CD1 3.98Å; Y593-Y596 HydrophobicContact CD1-CD1 3.98Å; Y596-N598 VanDerWaalsContact C-N 3.28Å; Y596-N598 PolarHBondContact O-N 3.13Å; Y596-L599 WeakPolarHBondContact O-CB 3.25Å; Y596-L599 PolarHBondContact O-N 3.4Å; Y596-L599 VanDerWaalsContact O-N 3.1Å; Y596-V600 HydrophobicContact CD1-CG2 4.46Å; Y596-V600 HydrophobicContact CD2-CG2 4.09Å; Y596-V600 HydrophobicContact CE1-CG2 4.01Å; Y596-V600 HydrophobicContact CE2-CG2 3.57Å; Y596-V600 WeakPolarHBondContact O-CG2 3.4Å; Y596-V600 PolarHBondContact O-N 2.9Å; Y596-Y613 HydrophobicContact CD2-CD1 4.24Å; Y596-Y613 HydrophobicContact CD2-CG 4.47Å; Y596-Y613 HydrophobicContact CG-CD1 4.43Å
597Q96.5Very high94.8Very high9 Ų929.3 Ų29.34%0.04216%0.163CC..Hα-helixtrans-62.1-37.5-178.8-174.552.650.900111.9T266 G321 Y593 I594 E595 L599 V600 D601T266-Q597 HydrophobicContact CG2-CG 4.11Å; G321-Q597 VanDerWaalsContact CA-CD 3.46Å; Y593-Q597 VanDerWaalsContact O-CB 3.25Å; Y593-Q597 WeakPolarHBondContact O-CB 3.43Å; Y593-Q597 PolarHBondContact O-N 3.37Å; I594-Q597 PolarHBondContact O-N 2.93Å; E595-Q597 PolarHBondContact O-N 3.46Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.14Å; Q597-V600 WeakPolarHBondContact O-CB 3.25Å; Q597-V600 PolarHBondContact O-N 2.66Å; Q597-D601 PolarHBondContact NE2-OD1 2.63Å; Q597-D601 PolarHBondContact NE2-OD2 2.84Å; Q597-D601 PolarHBondContact O-N 2.61Å
598N95.6Very high94.2Very high25 Ų2532.2 Ų32.213%0.13419%0.193CC..Hα-helixtrans-63.7-37.7175.9-163.5-112.9000112.7H535 L537 T540 I594 E595 Y596 Y602H535-N598 PolarHBondContact O-ND2 3.33Å; L537-N598 WeakPolarHBondContact CB-OD1 3.39Å; L537-N598 HydrophobicContact CD1-CB 3.62Å; L537-N598 HydrophobicContact CG-CB 4.03Å; L537-N598 PolarHBondContact N-OD1 3.22Å; T540-N598 VanDerWaalsContact CB-OD1 3.28Å; T540-N598 WeakPolarHBondContact CB-OD1 3.41Å; T540-N598 PolarHBondContact OG1-OD1 3.49Å; I594-N598 WeakPolarHBondContact O-CB 3.27Å; I594-N598 PolarHBondContact O-N 3.28Å; E595-N598 PolarHBondContact O-N 2.93Å; Y596-N598 VanDerWaalsContact C-N 3.28Å; Y596-N598 PolarHBondContact O-N 3.13Å; N598-Y602 WeakPolarHBondContact O-CB 3.5Å; N598-Y602 PolarHBondContact O-N 3.25Å
599L96.7Very high93.9Very high4 Ų433.6 Ų33.62%0.02120%0.199CC..Hα-helixtrans-70.7-35.7174.1-69.9174.3000112.6V539 T540 L543 V585 E595 Y596 Q597 Y602 T603 V611 Y613V539-L599 HydrophobicContact CG1-CD1 4.49Å; T540-L599 HydrophobicContact CG2-CD2 4.15Å; T540-L599 WeakPolarHBondContact OG1-CD2 3.31Å; L543-L599 HydrophobicContact CD2-CD2 3.57Å; V585-L599 HydrophobicContact CB-CD1 4.26Å; V585-L599 HydrophobicContact CG2-CD1 4.3Å; E595-L599 WeakPolarHBondContact O-CG 3.26Å; E595-L599 PolarHBondContact O-N 3.01Å; Y596-L599 WeakPolarHBondContact O-CB 3.25Å; Y596-L599 PolarHBondContact O-N 3.4Å; Y596-L599 VanDerWaalsContact O-N 3.1Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.14Å; L599-Y602 PolarHBondContact O-N 2.87Å; L599-T603 WeakPolarHBondContact O-CB 3.29Å; L599-T603 PolarHBondContact O-N 3.36Å; L599-T603 PolarHBondContact O-OG1 3.01Å; L599-V611 HydrophobicContact CB-CG1 4.34Å; L599-V611 HydrophobicContact CD1-CG1 4.35Å; L599-V611 HydrophobicContact CD2-CG1 4.29Å; L599-Y613 HydrophobicContact CD1-CD2 3.54Å; L599-Y613 HydrophobicContact CD1-CE2 4.37Å; L599-Y613 HydrophobicContact CD1-CG 4.11Å
600V95.1Very high93.9Very high19 Ų1938.7 Ų38.712%0.11522%0.218CC..Hα-helixtrans-60.7-47.4172.5168.70000110.1Y596 Q597 T603 K604Y596-V600 HydrophobicContact CD1-CG2 4.46Å; Y596-V600 HydrophobicContact CD2-CG2 4.09Å; Y596-V600 HydrophobicContact CE1-CG2 4.01Å; Y596-V600 HydrophobicContact CE2-CG2 3.57Å; Y596-V600 WeakPolarHBondContact O-CG2 3.4Å; Y596-V600 PolarHBondContact O-N 2.9Å; Q597-V600 WeakPolarHBondContact O-CB 3.25Å; Q597-V600 PolarHBondContact O-N 2.66Å; V600-T603 PolarHBondContact O-N 2.98Å; V600-K604 HydrophobicContact CG1-CD 4.41Å; V600-K604 WeakPolarHBondContact O-CG 3.45Å; V600-K604 PolarHBondContact O-N 3.3Å
601D93.6Very high94Very high50 Ų5039.1 Ų39.127%0.26722%0.221SC..Hα-helixtrans-69.5-36.7-179.5-66-29.3000112.4Q597 T603 K604 A605Q597-D601 PolarHBondContact NE2-OD1 2.63Å; Q597-D601 PolarHBondContact NE2-OD2 2.84Å; Q597-D601 PolarHBondContact O-N 2.61Å; D601-T603 VanDerWaalsContact C-N 3.31Å; D601-T603 PolarHBondContact O-N 3.08Å; D601-K604 PolarHBondContact O-N 3.22Å; D601-K604 IonicContact OD1-NZ 3.92Å; D601-K604 PolarHBondContact OD1-NZ 3.35Å; D601-K604 VanDerWaalsContact OD1-NZ 3.11Å; D601-A605 PolarHBondContact O-N 3.4Å; D601-A605 VanDerWaalsContact O-N 3.1Å
602Y94.3Very high94.1Very high9 Ų940.1 Ų40.14%0.03523%0.226CC..Hα-helixtrans-55.6-46.3168.2170.2-97.1000111.9T540 L543 D544 M547 N598 L599 A605 K606 V611T540-Y602 HydrophobicContact CG2-CD2 3.86Å; T540-Y602 HydrophobicContact CG2-CG 3.82Å; L543-Y602 HydrophobicContact CD2-CD1 4.49Å; L543-Y602 HydrophobicContact CD2-CE1 4.34Å; D544-Y602 HydrophobicContact CB-CE2 3.76Å; D544-Y602 WeakPolarHBondContact OD1-CE2 3.31Å; D544-Y602 PolarHBondContact OD1-OH 3.29Å; M547-Y602 HydrophobicContact SD-CE1 4.39Å; N598-Y602 WeakPolarHBondContact O-CB 3.5Å; N598-Y602 PolarHBondContact O-N 3.25Å; L599-Y602 PolarHBondContact O-N 2.87Å; Y602-A605 PolarHBondContact O-N 3.38Å; Y602-K606 HydrophobicContact CD2-CG 4.4Å; Y602-K606 HydrophobicContact CE1-CG 4.36Å; Y602-K606 HydrophobicContact CE2-CG 3.97Å; Y602-K606 WeakPolarHBondContact O-CG 3.49Å; Y602-K606 PolarHBondContact O-N 3.38Å; Y602-V611 HydrophobicContact CD1-CG2 4.23Å; Y602-V611 HydrophobicContact CE1-CG2 4.25Å
603T93.4Very high94.2Very high30 Ų3039.9 Ų39.918%0.18423%0.225CC..Hα-helixtrans-67.3-40.7-178.5-56.10000111.5L599 V600 D601 A605 K606 K609 V611L599-T603 WeakPolarHBondContact O-CB 3.29Å; L599-T603 PolarHBondContact O-N 3.36Å; L599-T603 PolarHBondContact O-OG1 3.01Å; V600-T603 PolarHBondContact O-N 2.98Å; D601-T603 VanDerWaalsContact C-N 3.31Å; D601-T603 PolarHBondContact O-N 3.08Å; T603-A605 PolarHBondContact O-N 3.09Å; T603-K606 CarbonylContact O-C 3.51Å; T603-K606 PolarHBondContact O-N 3.39Å; T603-K609 WeakPolarHBondContact CG2-O 3.22Å; T603-V611 WeakPolarHBondContact OG1-CB 3.31Å; T603-V611 WeakPolarHBondContact OG1-CG2 3.49Å
604K92.1Very high94.2Very high145 Ų14539.6 Ų39.663%0.6322%0.224SC*.Hα-helixtrans-58.5-36.9173.4-71.9173.4-171.7160.70112.2V600 D601 K606V600-K604 HydrophobicContact CG1-CD 4.41Å; V600-K604 WeakPolarHBondContact O-CG 3.45Å; V600-K604 PolarHBondContact O-N 3.3Å; D601-K604 PolarHBondContact O-N 3.22Å; D601-K604 IonicContact OD1-NZ 3.92Å; D601-K604 PolarHBondContact OD1-NZ 3.35Å; D601-K604 VanDerWaalsContact OD1-NZ 3.11Å; K604-K606 VanDerWaalsContact C-N 3.29Å; K604-K606 PolarHBondContact O-N 2.98Å
605A91.1Very high94.3Very high73 Ų7338.2 Ų38.260%0.60322%0.216SC*.Hα-helixtrans-76.6-11.8177.600000114.1D601 Y602 T603 P607D601-A605 PolarHBondContact O-N 3.4Å; D601-A605 VanDerWaalsContact O-N 3.1Å; Y602-A605 PolarHBondContact O-N 3.38Å; T603-A605 PolarHBondContact O-N 3.09Å; A605-P607 WeakPolarHBondContact O-CD 3.43Å
606K90.8Very high94.3Very high76 Ų7638.1 Ų38.133%0.3322%0.216SC..SBendtrans-122.880.4-174.3-66.7-68.9-171.3170.40111.2Y602 T603 K604 G608 K609Y602-K606 HydrophobicContact CD2-CG 4.4Å; Y602-K606 HydrophobicContact CE1-CG 4.36Å; Y602-K606 HydrophobicContact CE2-CG 3.97Å; Y602-K606 WeakPolarHBondContact O-CG 3.49Å; Y602-K606 PolarHBondContact O-N 3.38Å; T603-K606 CarbonylContact O-C 3.51Å; T603-K606 PolarHBondContact O-N 3.39Å; K604-K606 VanDerWaalsContact C-N 3.29Å; K604-K606 PolarHBondContact O-N 2.98Å; K606-G608 PolarHBondContact O-N 3.36Å; K606-K609 HydrophobicContact CB-CB 4.13Å; K606-K609 HydrophobicContact CB-CG 3.84Å; K606-K609 WeakPolarHBondContact O-CB 3.13Å; K606-K609 PolarHBondContact O-N 2.95Å; K606-K609 VanDerWaalsContact O-N 3.1Å
607P87Confident94.2Very high124 Ų12438.1 Ų38.181%0.80522%0.216SC*.THydrogen-bonded Turntrans-58.5134.6-178.124.4-33.6000111.3A605 K609A605-P607 WeakPolarHBondContact O-CD 3.43Å; P607-K609 VanDerWaalsContact C-N 3.34Å
608G87Confident94.1Very high62 Ų6238.4 Ų38.464%0.63922%0.218SC*.THydrogen-bonded Turntrans86.6-3.7-178.300000115K606K606-G608 PolarHBondContact O-N 3.36Å
609K91.4Very high94.1Very high31 Ų3137.2 Ų37.214%0.13521%0.212CC..  trans-93.1148.6167.2-57.2-61.8-167.5162.50110.3M547 E548 F580 Q581 T603 K606 P607M547-K609 HydrophobicContact CE-CB 4.29Å; M547-K609 HydrophobicContact CE-CD 3.93Å; M547-K609 HydrophobicContact CE-CG 4.44Å; E548-K609 WeakPolarHBondContact OE1-CE 3.48Å; E548-K609 IonicContact OE1-NZ 3.96Å; E548-K609 PolarHBondContact OE1-NZ 3.31Å; F580-K609 WeakPolarHBondContact O-CD 3.45Å; F580-K609 PolarHBondContact O-NZ 3.25Å; Q581-K609 CarbonylContact O-C 3.57Å; Q581-K609 VanDerWaalsContact O-CA 3.28Å; Q581-K609 WeakPolarHBondContact O-CA 3.36Å; T603-K609 WeakPolarHBondContact CG2-O 3.22Å; K606-K609 HydrophobicContact CB-CB 4.13Å; K606-K609 HydrophobicContact CB-CG 3.84Å; K606-K609 WeakPolarHBondContact O-CB 3.13Å; K606-K609 PolarHBondContact O-N 2.95Å; K606-K609 VanDerWaalsContact O-N 3.1Å; P607-K609 VanDerWaalsContact C-N 3.34Å
610R93Very high94.1Very high107 Ų10738.4 Ų38.440%0.40422%0.218SC..EExtended strand (participates in β ladder)trans-132130.5170-60.3-164.3-70.7176.8-0.7109.3A2 Q581 E582 A583A2-R610 PolarHBondContact O-NH1 3.41Å; Q581-R610 PolarHBondContact O-N 2.89Å; E582-R610 WeakPolarHBondContact CA-O 3.44Å; E582-R610 HydrophobicContact CG-CB 4.37Å; E582-R610 IonicContact OE1-CZ 3.61Å; E582-R610 IonicContact OE1-NE 3.2Å; E582-R610 IonicContact OE1-NH2 3.83Å; E582-R610 PolarHBondContact OE1-NH2 3.26Å; A583-R610 PolarHBondContact N-O 2.91Å
611V96.4Very high94.1Very high10 Ų1037.6 Ų37.66%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-124.4136.3179.9-177.20000108.1L543 M547 A583 V585 L599 Y602 T603L543-V611 HydrophobicContact CD2-CB 4.26Å; L543-V611 HydrophobicContact CD2-CG1 3.5Å; L543-V611 HydrophobicContact CD2-CG2 3.69Å; M547-V611 HydrophobicContact CE-CG2 4.45Å; M547-V611 HydrophobicContact SD-CG2 4.09Å; A583-V611 CarbonylContact O-C 3.59Å; A583-V611 WeakPolarHBondContact O-CA 3.21Å; V585-V611 HydrophobicContact CG2-CG1 4.26Å; L599-V611 HydrophobicContact CB-CG1 4.34Å; L599-V611 HydrophobicContact CD1-CG1 4.35Å; L599-V611 HydrophobicContact CD2-CG1 4.29Å; Y602-V611 HydrophobicContact CD1-CG2 4.23Å; Y602-V611 HydrophobicContact CE1-CG2 4.25Å; T603-V611 WeakPolarHBondContact OG1-CB 3.31Å; T603-V611 WeakPolarHBondContact OG1-CG2 3.49Å
612L97.4Very high94.2Very high20 Ų2035.5 Ų35.511%0.10520%0.204CC..EExtended strand (participates in β ladder)trans-121130.7173.9-176.5159.3000108.1V5 D149 F151 F190 A583 I584 V585V5-L612 HydrophobicContact CB-CD1 3.78Å; V5-L612 HydrophobicContact CG1-CD1 3.51Å; V5-L612 HydrophobicContact CG1-CG 4.38Å; D149-L612 CarbonylContact O-C 3.5Å; D149-L612 WeakPolarHBondContact O-CA 3.25Å; F151-L612 HydrophobicContact CD1-CD2 3.34Å; F151-L612 HydrophobicContact CE1-CD2 3.36Å; F190-L612 HydrophobicContact CE2-CD1 4.28Å; F190-L612 HydrophobicContact CE2-CD2 3.91Å; F190-L612 HydrophobicContact CZ-CD1 3.99Å; F190-L612 HydrophobicContact CZ-CD2 3.61Å; F190-L612 HydrophobicContact CZ-CG 4.5Å; A583-L612 PolarHBondContact O-N 3.02Å; I584-L612 CarbonylContact C-O 3.51Å; I584-L612 VanDerWaalsContact CA-O 3.26Å; I584-L612 WeakPolarHBondContact CA-O 3.43Å; I584-L612 HydrophobicContact CG1-CB 4.14Å; I584-L612 HydrophobicContact CG1-CD2 4.35Å; I584-L612 HydrophobicContact CG2-CD2 3.91Å; V585-L612 PolarHBondContact N-O 3.13Å
613Y98.5Very high94.3Very high2 Ų237.2 Ų37.21%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-102.2142.8-178.8178.1-110.2000110.9D149 M150 F151 V585 V587 G591 N592 E595 Y596 L599D149-Y613 PolarHBondContact O-N 2.88Å; M150-Y613 CarbonylContact C-O 3.44Å; M150-Y613 VanDerWaalsContact CA-O 3.25Å; M150-Y613 WeakPolarHBondContact CA-O 3.47Å; M150-Y613 HydrophobicContact CE-CD1 4.21Å; M150-Y613 HydrophobicContact CE-CE1 4.16Å; M150-Y613 HydrophobicContact CG-CD1 4.1Å; F151-Y613 VanDerWaalsContact CD1-O 3.3Å; F151-Y613 WeakPolarHBondContact CD1-O 2.95Å; F151-Y613 PolarHBondContact N-O 3.13Å; V585-Y613 HydrophobicContact CG1-CD2 4.45Å; V585-Y613 CarbonylContact O-C 3.38Å; V587-Y613 HydrophobicContact CG2-CE2 3.86Å; G591-Y613 WeakPolarHBondContact CA-OH 3.38Å; N592-Y613 PolarHBondContact N-OH 3.31Å; N592-Y613 VanDerWaalsContact N-OH 3.16Å; E595-Y613 HydrophobicContact CB-CE2 4.11Å; E595-Y613 PolarHBondContact OE2-OH 3.15Å; Y596-Y613 HydrophobicContact CD2-CD1 4.24Å; Y596-Y613 HydrophobicContact CD2-CG 4.47Å; Y596-Y613 HydrophobicContact CG-CD1 4.43Å; L599-Y613 HydrophobicContact CD1-CD2 3.54Å; L599-Y613 HydrophobicContact CD1-CE2 4.37Å; L599-Y613 HydrophobicContact CD1-CG 4.11Å
614G98.3Very high94.5Very high0 Ų035.8 Ų35.80%020%0.203CC..EExtended strand (participates in β ladder)trans-150.2167.1165.800000113.5F151 V585 F586 V587F151-G614 WeakPolarHBondContact O-CA 3.21Å; V585-G614 PolarHBondContact O-N 3.2Å; F586-G614 CarbonylContact C-O 3.59Å; F586-G614 VanDerWaalsContact CA-O 3.24Å; F586-G614 WeakPolarHBondContact CA-O 3.4Å; F586-G614 VanDerWaalsContact CD2-C 3.48Å; V587-G614 PolarHBondContact N-O 3.38Å
615C98.1Very high94.7Very high0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-153.2160.6179.554.90000111.2F151 L153 F586 V587 E617F151-C615 PolarHBondContact O-N 3.22Å; L153-C615 PolarHBondContact N-O 3.49Å; F586-C615 WeakPolarHBondContact CE2-O 3.35Å; F586-C615 VanDerWaalsContact CZ-C 3.47Å; V587-C615 HydrophobicContact CB-CB 4.43Å; V587-C615 WeakPolarHBondContact O-CA 3.13Å; C615-E617 PolarHBondContact SG-O 3.25Å
616S96.6Very high95Very high0 Ų032.9 Ų32.90%018%0.177CC..SBendtrans-60.7-51.5177.556.90000111.1L153 I161 V587 G589 G590L153-S616 PolarHBondContact N-O 2.96Å; I161-S616 WeakPolarHBondContact CD1-O 3.47Å; I161-S616 PolarHBondContact O-OG 3.13Å; V587-S616 PolarHBondContact O-N 3.3Å; V587-S616 VanDerWaalsContact O-N 3.16Å; G589-S616 PolarHBondContact N-OG 3.43Å; G590-S616 PolarHBondContact N-OG 3.22Å
617E94.6Very high95.2Very high4 Ų430.3 Ų30.32%0.01917%0.167CC..  trans-131.8154173.160.7172.9174.400110.2K158 S162 Y163 G590 G591 C615 F619 Q627K158-E617 HydrophobicContact CB-CB 4.1Å; S162-E617 VanDerWaalsContact CA-OE1 3.24Å; S162-E617 WeakPolarHBondContact CA-OE1 3.48Å; S162-E617 WeakPolarHBondContact CB-OE1 3.45Å; S162-E617 WeakPolarHBondContact CB-OE2 3.5Å; Y163-E617 PolarHBondContact N-OE1 3.3Å; G590-E617 CarbonylContact C-O 3.52Å; G590-E617 WeakPolarHBondContact CA-O 3.48Å; G591-E617 PolarHBondContact N-O 2.89Å; C615-E617 PolarHBondContact SG-O 3.25Å; E617-F619 HydrophobicContact CG-CD1 3.98Å; E617-Q627 PolarHBondContact OE1-NE2 2.99Å; E617-Q627 PolarHBondContact OE1-OE1 3.42Å; E617-Q627 PolarHBondContact OE2-NE2 3.39Å
618L95.7Very high95.7Very high15 Ų1524.4 Ų24.48%0.07913%0.128CC..BIsolated β-bridgetrans-105.2122.7170.4-176.666.9000108.4L146 M150 I152 Y593L146-L618 HydrophobicContact CD1-CD2 3.64Å; M150-L618 HydrophobicContact CE-CD1 3.49Å; M150-L618 VanDerWaalsContact CE-CD1 3.49Å; M150-L618 HydrophobicContact CE-CD2 3.67Å; M150-L618 HydrophobicContact CE-CG 4.18Å; I152-L618 HydrophobicContact CG2-CB 3.8Å; I152-L618 HydrophobicContact CG2-CD2 4.4Å; Y593-L618 HydrophobicContact CD2-CD1 4.48Å; Y593-L618 HydrophobicContact CD2-CD2 4.32Å; Y593-L618 HydrophobicContact CE1-CD2 4.44Å; Y593-L618 HydrophobicContact CE2-CD2 3.59Å; Y593-L618 HydrophobicContact CE2-CG 4.36Å
619F95.3Very high96.2Very high1 Ų122.2 Ų22.20%0.00410%0.103CC..  trans-131.5153.8-176.762.4-117.7000112P260 H272 G591 E617 Q623 F624P260-F619 HydrophobicContact CB-CE2 3.44Å; P260-F619 VanDerWaalsContact CB-CE2 3.44Å; P260-F619 HydrophobicContact CB-CZ 3.98Å; P260-F619 HydrophobicContact CG-CE2 4.23Å; P260-F619 HydrophobicContact CG-CZ 4.28Å; H272-F619 PolarHBondContact CE1-O 3.33Å; H272-F619 VanDerWaalsContact CE1-O 3.23Å; G591-F619 PolarHBondContact O-N 2.99Å; G591-F619 VanDerWaalsContact O-N 3.12Å; E617-F619 HydrophobicContact CG-CD1 3.98Å; F619-Q623 VanDerWaalsContact CA-OE1 3.26Å; F619-Q623 HydrophobicContact CB-CB 3.99Å; F619-F624 HydrophobicContact CD1-CD2 4.42Å; F619-F624 HydrophobicContact CD2-CB 3.59Å; F619-F624 HydrophobicContact CD2-CD2 4.21Å; F619-F624 HydrophobicContact CD2-CG 4.07Å; F619-F624 AromaticContact CE1-CD2 3.79Å; F619-F624 HydrophobicContact CE1-CD2 3.79Å; F619-F624 HydrophobicContact CE1-CE2 4.17Å; F619-F624 HydrophobicContact CE2-CB 3.46Å; F619-F624 VanDerWaalsContact CE2-CB 3.46Å; F619-F624 HydrophobicContact CE2-CD1 4.09Å; F619-F624 AromaticContact CE2-CD2 3.53Å; F619-F624 HydrophobicContact CE2-CD2 3.53Å; F619-F624 HydrophobicContact CE2-CE2 4.27Å; F619-F624 AromaticContact CE2-CG 3.42Å; F619-F624 HydrophobicContact CE2-CG 3.42Å; F619-F624 VanDerWaalsContact CE2-CG 3.42Å; F619-F624 HydrophobicContact CG-CB 4.38Å; F619-F624 HydrophobicContact CZ-CB 4.18Å; F619-F624 HydrophobicContact CZ-CD1 4.38Å; F619-F624 AromaticContact CZ-CD2 3.31Å; F619-F624 HydrophobicContact CZ-CD2 3.31Å; F619-F624 AromaticContact CZ-CE2 3.68Å; F619-F624 HydrophobicContact CZ-CE2 3.68Å; F619-F624 AromaticContact CZ-CG 3.71Å; F619-F624 HydrophobicContact CZ-CG 3.71Å; F619-F624 HydrophobicContact CZ-CZ 4.33Å
620N95.6Very high96.4Very high29 Ų2923.3 Ų23.316%0.15512%0.115CC..  trans-95.3173.6167.766.518.8000111.3H272 G622 Q623 F624H272-N620 PolarHBondContact CE1-N 3.49Å; H272-N620 VanDerWaalsContact O-CB 3.28Å; H272-N620 WeakPolarHBondContact O-CB 3.24Å; H272-N620 PolarHBondContact O-ND2 2.81Å; N620-G622 VanDerWaalsContact C-N 3.31Å; N620-G622 PolarHBondContact O-N 2.87Å; N620-G622 PolarHBondContact OD1-N 3.23Å; N620-Q623 PolarHBondContact O-N 3.38Å; N620-Q623 WeakPolarHBondContact OD1-CB 3.48Å; N620-Q623 VanDerWaalsContact OD1-CG 3.27Å; N620-Q623 WeakPolarHBondContact OD1-CG 3.19Å; N620-Q623 PolarHBondContact OD1-N 3.21Å; N620-F624 PolarHBondContact O-N 2.98Å
621A96Very high96.5Very high2 Ų218.6 Ų18.62%0.01710%0.098CC..Hα-helixtrans-59.4-42.4-174.900000112.2P260 D273 Q623 F624 I625P260-A621 WeakPolarHBondContact O-CA 3.48Å; P260-A621 WeakPolarHBondContact O-CB 3.45Å; D273-A621 WeakPolarHBondContact OD1-CB 3.38Å; A621-Q623 PolarHBondContact O-N 2.88Å; A621-F624 PolarHBondContact O-N 3.16Å; A621-F624 VanDerWaalsContact O-N 3.16Å; A621-I625 VanDerWaalsContact O-CG1 3.28Å; A621-I625 WeakPolarHBondContact O-CG1 3.29Å; A621-I625 PolarHBondContact O-N 2.95Å
622G95.9Very high96.3Very high6 Ų618.4 Ų18.46%0.06210%0.097CC..Hα-helixtrans-63.2-39.817800000113.5E443 N620 K626E443-G622 WeakPolarHBondContact OE1-CA 3.34Å; E443-G622 PolarHBondContact OE1-N 3.28Å; N620-G622 VanDerWaalsContact C-N 3.31Å; N620-G622 PolarHBondContact O-N 2.87Å; N620-G622 PolarHBondContact OD1-N 3.23Å; G622-K626 VanDerWaalsContact O-CG 3.31Å; G622-K626 WeakPolarHBondContact O-CG 3.5Å; G622-K626 PolarHBondContact O-N 2.97Å
623Q96.1Very high96Very high45 Ų4523 Ų2321%0.2112%0.118CC..Hα-helixtrans-64.2-40.9172.6-74.3171.1-4.800111.5H278 F619 N620 A621 K626 Q627H278-Q623 PolarHBondContact NE2-NE2 3.44Å; F619-Q623 VanDerWaalsContact CA-OE1 3.26Å; F619-Q623 HydrophobicContact CB-CB 3.99Å; N620-Q623 PolarHBondContact O-N 3.38Å; N620-Q623 WeakPolarHBondContact OD1-CB 3.48Å; N620-Q623 VanDerWaalsContact OD1-CG 3.27Å; N620-Q623 WeakPolarHBondContact OD1-CG 3.19Å; N620-Q623 PolarHBondContact OD1-N 3.21Å; A621-Q623 PolarHBondContact O-N 2.88Å; Q623-K626 WeakPolarHBondContact O-CB 3.41Å; Q623-K626 PolarHBondContact O-N 3.29Å; Q623-Q627 PolarHBondContact O-N 3.34Å
624F97.3Very high94.2Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-67.7-43.4178.9-167.7-130.9000112.8Y163 R253 L257 P260 L261 F619 N620 A621 K626 Q627 L628Y163-F624 AromaticContact CD1-CE2 3.99Å; Y163-F624 HydrophobicContact CD1-CE2 3.99Å; Y163-F624 HydrophobicContact CG-CE2 4.07Å; R253-F624 HydrophobicContact CG-CE2 4.15Å; R253-F624 HydrophobicContact CG-CZ 4.08Å; L257-F624 HydrophobicContact CD2-CE1 4.48Å; L257-F624 HydrophobicContact CD2-CZ 3.83Å; P260-F624 HydrophobicContact CB-CD1 3.93Å; P260-F624 HydrophobicContact CB-CE1 4.17Å; P260-F624 HydrophobicContact CB-CG 4.47Å; P260-F624 HydrophobicContact CG-CD1 4.47Å; P260-F624 HydrophobicContact CG-CE1 4.21Å; L261-F624 HydrophobicContact CD2-CD1 3.87Å; L261-F624 HydrophobicContact CG-CD1 4.17Å; L261-F624 HydrophobicContact CG-CE1 4.45Å; F619-F624 HydrophobicContact CD1-CD2 4.42Å; F619-F624 HydrophobicContact CD2-CB 3.59Å; F619-F624 HydrophobicContact CD2-CD2 4.21Å; F619-F624 HydrophobicContact CD2-CG 4.07Å; F619-F624 AromaticContact CE1-CD2 3.79Å; F619-F624 HydrophobicContact CE1-CD2 3.79Å; F619-F624 HydrophobicContact CE1-CE2 4.17Å; F619-F624 HydrophobicContact CE2-CB 3.46Å; F619-F624 VanDerWaalsContact CE2-CB 3.46Å; F619-F624 HydrophobicContact CE2-CD1 4.09Å; F619-F624 AromaticContact CE2-CD2 3.53Å; F619-F624 HydrophobicContact CE2-CD2 3.53Å; F619-F624 HydrophobicContact CE2-CE2 4.27Å; F619-F624 AromaticContact CE2-CG 3.42Å; F619-F624 HydrophobicContact CE2-CG 3.42Å; F619-F624 VanDerWaalsContact CE2-CG 3.42Å; F619-F624 HydrophobicContact CG-CB 4.38Å; F619-F624 HydrophobicContact CZ-CB 4.18Å; F619-F624 HydrophobicContact CZ-CD1 4.38Å; F619-F624 AromaticContact CZ-CD2 3.31Å; F619-F624 HydrophobicContact CZ-CD2 3.31Å; F619-F624 AromaticContact CZ-CE2 3.68Å; F619-F624 HydrophobicContact CZ-CE2 3.68Å; F619-F624 AromaticContact CZ-CG 3.71Å; F619-F624 HydrophobicContact CZ-CG 3.71Å; F619-F624 HydrophobicContact CZ-CZ 4.33Å; N620-F624 PolarHBondContact O-N 2.98Å; A621-F624 PolarHBondContact O-N 3.16Å; A621-F624 VanDerWaalsContact O-N 3.16Å; F624-K626 PolarHBondContact O-N 3.46Å; F624-Q627 WeakPolarHBondContact O-CA 3.47Å; F624-Q627 WeakPolarHBondContact O-CB 3.34Å; F624-Q627 PolarHBondContact O-N 3.34Å; F624-L628 HydrophobicContact CD1-CD1 4.02Å; F624-L628 HydrophobicContact CD1-CG 4.47Å; F624-L628 HydrophobicContact CE1-CD1 3.88Å; F624-L628 HydrophobicContact CE1-CD2 4.43Å; F624-L628 HydrophobicContact CE1-CG 4.33Å; F624-L628 HydrophobicContact CE2-CD2 4.39Å; F624-L628 HydrophobicContact CZ-CD1 4.37Å; F624-L628 HydrophobicContact CZ-CD2 4.11Å; F624-L628 HydrophobicContact CZ-CG 4.38Å; F624-L628 WeakPolarHBondContact O-CG 3.44Å; F624-L628 PolarHBondContact O-N 3.5Å
625I96.8Very high94Very high16 Ų1637.2 Ų37.28%0.08218%0.181CC..Hα-helixtrans-59.7-38.2176.2-69.5164.7000111.1L261 E443 R447 A621 Q627 L628 S629L261-I625 HydrophobicContact CD2-CD1 4.08Å; L261-I625 HydrophobicContact CD2-CG1 3.46Å; L261-I625 VanDerWaalsContact CD2-CG1 3.46Å; E443-I625 HydrophobicContact CG-CD1 3.65Å; R447-I625 HydrophobicContact CG-CD1 3.26Å; R447-I625 HydrophobicContact CG-CG1 4.42Å; A621-I625 VanDerWaalsContact O-CG1 3.28Å; A621-I625 WeakPolarHBondContact O-CG1 3.29Å; A621-I625 PolarHBondContact O-N 2.95Å; I625-Q627 VanDerWaalsContact C-N 3.34Å; I625-L628 PolarHBondContact O-N 2.97Å; I625-S629 WeakPolarHBondContact O-CB 3.36Å; I625-S629 PolarHBondContact O-N 3.49Å
626K96.6Very high93.8Very high140 Ų14039.2 Ų39.261%0.60919%0.19SC*.Hα-helixtrans-60.9-44.2174.2-73.5170.8-175.7175.80111.4G622 Q623 F624 L628 S629 S630G622-K626 VanDerWaalsContact O-CG 3.31Å; G622-K626 WeakPolarHBondContact O-CG 3.5Å; G622-K626 PolarHBondContact O-N 2.97Å; Q623-K626 WeakPolarHBondContact O-CB 3.41Å; Q623-K626 PolarHBondContact O-N 3.29Å; F624-K626 PolarHBondContact O-N 3.46Å; K626-L628 PolarHBondContact O-N 3.37Å; K626-S629 PolarHBondContact O-N 2.9Å; K626-S630 PolarHBondContact O-N 3.48Å; K626-S630 PolarHBondContact O-OG 3.49Å
627Q96.8Very high93.6Very high23 Ų2341.3 Ų41.311%0.10720%0.201CC..Hα-helixtrans-60.1-45.4174.4-66.4-172.436.900111.9Y163 H164 E617 Q623 F624 I625 S629 S630 L631Y163-Q627 VanDerWaalsContact CB-OE1 3.31Å; Y163-Q627 VanDerWaalsContact N-OE1 3.1Å; H164-Q627 HydrophobicContact CB-CB 3.95Å; H164-Q627 HydrophobicContact CB-CG 4.08Å; E617-Q627 PolarHBondContact OE1-NE2 2.99Å; E617-Q627 PolarHBondContact OE1-OE1 3.42Å; E617-Q627 PolarHBondContact OE2-NE2 3.39Å; Q623-Q627 PolarHBondContact O-N 3.34Å; F624-Q627 WeakPolarHBondContact O-CA 3.47Å; F624-Q627 WeakPolarHBondContact O-CB 3.34Å; F624-Q627 PolarHBondContact O-N 3.34Å; I625-Q627 VanDerWaalsContact C-N 3.34Å; Q627-S629 PolarHBondContact O-N 2.83Å; Q627-S630 PolarHBondContact O-N 3.17Å; Q627-L631 WeakPolarHBondContact O-CG 3.47Å; Q627-L631 PolarHBondContact O-N 2.83Å; Q627-L631 VanDerWaalsContact O-N 3.08Å
628L97Very high93.5Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-64.2-39176.8-61.9176.4000112.4Y163 L261 L450 Y484 I485 F624 I625 K626 L631 G632Y163-L628 HydrophobicContact CD1-CD2 4.25Å; Y163-L628 HydrophobicContact CE1-CD2 3.83Å; L261-L628 HydrophobicContact CD2-CD1 4.39Å; L450-L628 HydrophobicContact CD1-CD1 4.45Å; Y484-L628 HydrophobicContact CD1-CD2 3.75Å; Y484-L628 HydrophobicContact CE1-CD2 3.9Å; I485-L628 HydrophobicContact CD1-CD1 4.07Å; I485-L628 HydrophobicContact CD1-CD2 4.2Å; I485-L628 HydrophobicContact CG1-CD1 4.3Å; F624-L628 HydrophobicContact CD1-CD1 4.02Å; F624-L628 HydrophobicContact CD1-CG 4.47Å; F624-L628 HydrophobicContact CE1-CD1 3.88Å; F624-L628 HydrophobicContact CE1-CD2 4.43Å; F624-L628 HydrophobicContact CE1-CG 4.33Å; F624-L628 HydrophobicContact CE2-CD2 4.39Å; F624-L628 HydrophobicContact CZ-CD1 4.37Å; F624-L628 HydrophobicContact CZ-CD2 4.11Å; F624-L628 HydrophobicContact CZ-CG 4.38Å; F624-L628 WeakPolarHBondContact O-CG 3.44Å; F624-L628 PolarHBondContact O-N 3.5Å; I625-L628 PolarHBondContact O-N 2.97Å; K626-L628 PolarHBondContact O-N 3.37Å; L628-L631 PolarHBondContact O-N 2.96Å; L628-G632 PolarHBondContact O-N 3.07Å; L628-G632 VanDerWaalsContact O-N 3.11Å
629S96.4Very high93.4Very high15 Ų1545.3 Ų45.311%0.10522%0.22CC..Hα-helixtrans-62.8-48.7175.9170.70000110.4D478 S480 I625 K626 Q627 L631 G632 Q633D478-S629 PolarHBondContact OD2-OG 3.16Å; S480-S629 WeakPolarHBondContact CB-O 3.4Å; I625-S629 WeakPolarHBondContact O-CB 3.36Å; I625-S629 PolarHBondContact O-N 3.49Å; K626-S629 PolarHBondContact O-N 2.9Å; Q627-S629 PolarHBondContact O-N 2.83Å; S629-L631 VanDerWaalsContact C-N 3.3Å; S629-L631 PolarHBondContact O-N 3Å; S629-G632 CarbonylContact O-C 3.42Å; S629-G632 WeakPolarHBondContact O-CA 3.44Å; S629-G632 PolarHBondContact O-N 3.46Å; S629-Q633 WeakPolarHBondContact O-CG 3.41Å; S629-Q633 PolarHBondContact O-N 2.96Å; S629-Q633 PolarHBondContact OG-NE2 3.15Å
630S95.6Very high93.3Very high55 Ų5548.3 Ų48.339%0.38523%0.234SC..Hα-helixtrans-58-39.9176.2-660000112.9H164 K626 Q627 G632 Q633H164-S630 VanDerWaalsContact CD2-CB 3.43Å; H164-S630 WeakPolarHBondContact CD2-CB 3.29Å; K626-S630 PolarHBondContact O-N 3.48Å; K626-S630 PolarHBondContact O-OG 3.49Å; Q627-S630 PolarHBondContact O-N 3.17Å; S630-G632 VanDerWaalsContact C-N 3.26Å; S630-G632 PolarHBondContact O-N 2.95Å; S630-Q633 PolarHBondContact O-N 3.37Å
631L95.4Very high93.1Very high8 Ų849.6 Ų49.64%0.04224%0.24CC..Hα-helixtrans-69-22.8175.1-68.3174000113.8Y163 H164 N167 K168 Y484 Q627 L628 S629Y163-L631 HydrophobicContact CD1-CD1 3.89Å; Y163-L631 HydrophobicContact CE1-CD1 3.77Å; H164-L631 HydrophobicContact CB-CG 4.47Å; N167-L631 HydrophobicContact CB-CD1 4.04Å; N167-L631 HydrophobicContact CB-CD2 4.34Å; N167-L631 WeakPolarHBondContact O-CD2 3.43Å; K168-L631 HydrophobicContact CB-CD2 4.29Å; Y484-L631 HydrophobicContact CD1-CB 4.32Å; Y484-L631 HydrophobicContact CD1-CD1 4.27Å; Y484-L631 HydrophobicContact CD2-CB 3.37Å; Y484-L631 HydrophobicContact CD2-CD1 4.23Å; Y484-L631 HydrophobicContact CD2-CG 4.38Å; Y484-L631 HydrophobicContact CE1-CD1 3.79Å; Y484-L631 HydrophobicContact CE2-CB 3.62Å; Y484-L631 HydrophobicContact CE2-CD1 3.73Å; Y484-L631 HydrophobicContact CE2-CG 4.17Å; Y484-L631 HydrophobicContact CG-CB 3.74Å; Y484-L631 HydrophobicContact CG-CD1 4.46Å; Y484-L631 VanDerWaalsContact CZ-CD1 3.48Å; Q627-L631 WeakPolarHBondContact O-CG 3.47Å; Q627-L631 PolarHBondContact O-N 2.83Å; Q627-L631 VanDerWaalsContact O-N 3.08Å; L628-L631 PolarHBondContact O-N 2.96Å; S629-L631 VanDerWaalsContact C-N 3.3Å; S629-L631 PolarHBondContact O-N 3Å
632G93.1Very high92.9Very high5 Ų553.3 Ų53.35%0.05226%0.257CS..Hα-helixtrans-97.1-5.8-179.500000114.8S480 L628 S629 S630S480-G632 WeakPolarHBondContact O-CA 3.42Å; L628-G632 PolarHBondContact O-N 3.07Å; L628-G632 VanDerWaalsContact O-N 3.11Å; S629-G632 CarbonylContact O-C 3.42Å; S629-G632 WeakPolarHBondContact O-CA 3.44Å; S629-G632 PolarHBondContact O-N 3.46Å; S630-G632 VanDerWaalsContact C-N 3.26Å; S630-G632 PolarHBondContact O-N 2.95Å
633Q89.6Confident92.6Very high118 Ų11857.3 Ų57.355%0.55127%0.273SS*.  trans-71.5134.9170.2-74170.315.300108.9S629 S630S629-Q633 WeakPolarHBondContact O-CG 3.41Å; S629-Q633 PolarHBondContact O-N 2.96Å; S629-Q633 PolarHBondContact OG-NE2 3.15Å; S630-Q633 PolarHBondContact O-N 3.37Å
634K61.2Low92.3Very high262 Ų26258.4 Ų58.4100%1.13928%0.279SS*.  trans-110.10177.7-77.9-170.3175.8-1740110.8

Retrieved 634 of 634 residues in 4488.3 ms (Link to these results)

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