A0A087YKP4_POEFO 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 A0A087YKP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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
1M42Very low84.4Confident241 Ų24158.8 Ų58.8100%1.18733%0.325SS*.  0140.40-77-171.5-9300108T3M1-T3 PolarHBondContact O-N 3.11Å
2A59.2Low85.1Confident70 Ų7056.1 Ų56.158%0.57932%0.316SS*.  trans-71.5123.5177.100000109.7S4A2-S4 PolarHBondContact O-N 3.35Å
3T79.6Confident86Confident56 Ų5651.8 Ų51.834%0.34429%0.292SS..  trans-45.6132.5178.5-49.30000111.6M1 E7 K8 K608M1-T3 PolarHBondContact O-N 3.11Å; T3-E7 WeakPolarHBondContact CA-OE2 3.5Å; T3-E7 HydrophobicContact CG2-CB 3.83Å; T3-E7 VanDerWaalsContact CG2-CD 3.46Å; T3-E7 HydrophobicContact CG2-CG 3.68Å; T3-E7 WeakPolarHBondContact CG2-OE2 3.29Å; T3-K8 HydrophobicContact CG2-CG 3.62Å; T3-K608 PolarHBondContact O-NZ 3.22Å
4S90.9Very high86.5Confident16 Ų1652.6 Ų52.611%0.11229%0.291CS..  trans-71.2162.2178.481.70000111A2 R6 E7 K8 D148A2-S4 PolarHBondContact O-N 3.35Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-E7 PolarHBondContact O-N 3.46Å; S4-E7 WeakPolarHBondContact OG-CB 3.48Å; S4-E7 PolarHBondContact OG-N 3.41Å; S4-K8 WeakPolarHBondContact O-CG 3.07Å; S4-K8 PolarHBondContact O-N 3.1Å; S4-D148 WeakPolarHBondContact CB-O 3.4Å; S4-D148 WeakPolarHBondContact CB-OD1 3.4Å; S4-D148 PolarHBondContact OG-OD1 2.98Å
5V91.3Very high87Confident3 Ų355.1 Ų55.12%0.01829%0.294CS..Hα-helixtrans-68.5-36.3177.262.80000111.1E7 K8 Q9 F143 T145 D148 F190 V610V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.47Å; V5-K8 PolarHBondContact O-N 2.98Å; V5-Q9 PolarHBondContact O-N 3.38Å; V5-F143 HydrophobicContact CG2-CE2 4.28Å; V5-T145 HydrophobicContact CG1-CG2 3.92Å; V5-T145 HydrophobicContact CG2-CG2 4.21Å; V5-D148 WeakPolarHBondContact CG1-O 3.34Å; V5-D148 PolarHBondContact N-O 2.86Å; V5-F190 HydrophobicContact CB-CE2 4.39Å; V5-F190 HydrophobicContact CG1-CE2 4.48Å; V5-F190 HydrophobicContact CG2-CD2 4.12Å; V5-F190 HydrophobicContact CG2-CE2 3.56Å; V5-F190 HydrophobicContact CG2-CZ 4.23Å; V5-V610 HydrophobicContact CG1-CG1 4.09Å
6R94.6Very high87.5Confident18 Ų1851.6 Ų51.67%0.06828%0.275CS..Hα-helixtrans-57-46.3171.8-171.1-172.4-174.1139.16.1111.9S4 Q9 T10 P48 L49 L146S4-R6 VanDerWaalsContact C-N 3.3Å; R6-Q9 PolarHBondContact O-N 2.9Å; R6-T10 VanDerWaalsContact O-CB 3.31Å; R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 3.47Å; R6-T10 PolarHBondContact O-OG1 3.41Å; R6-P48 PolarHBondContact NH2-O 3.26Å; R6-L49 HydrophobicContact CG-CD2 3.38Å; R6-L146 PolarHBondContact NH1-O 2.91Å
7E93.7Very high88Confident100 Ų10048.6 Ų48.647%0.46726%0.259SS..Hα-helixtrans-64.5-43.6178.1-175.1-176.8-175.400111.3T3 S4 V5 Q9 T10 V11T3-E7 WeakPolarHBondContact CA-OE2 3.5Å; T3-E7 HydrophobicContact CG2-CB 3.83Å; T3-E7 VanDerWaalsContact CG2-CD 3.46Å; T3-E7 HydrophobicContact CG2-CG 3.68Å; T3-E7 WeakPolarHBondContact CG2-OE2 3.29Å; S4-E7 PolarHBondContact O-N 3.46Å; S4-E7 WeakPolarHBondContact OG-CB 3.48Å; S4-E7 PolarHBondContact OG-N 3.41Å; V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.47Å; E7-Q9 PolarHBondContact O-N 2.73Å; E7-T10 PolarHBondContact O-N 3.49Å; E7-V11 WeakPolarHBondContact O-CB 3.43Å; E7-V11 VanDerWaalsContact O-CG2 3.29Å; E7-V11 WeakPolarHBondContact O-CG2 3.24Å; E7-V11 PolarHBondContact O-N 2.86Å
8K92.8Very high88.3Confident39 Ų3948.6 Ų48.617%0.1726%0.259CS..Hα-helixtrans-59.7-45.3174.9-71-176.1-179.2-176.30112.1T3 S4 V5 V11 A12 T193 L194T3-K8 HydrophobicContact CG2-CG 3.62Å; S4-K8 WeakPolarHBondContact O-CG 3.07Å; S4-K8 PolarHBondContact O-N 3.1Å; V5-K8 PolarHBondContact O-N 2.98Å; K8-V11 PolarHBondContact O-N 3.34Å; K8-A12 PolarHBondContact O-N 3.38Å; K8-T193 HydrophobicContact CB-CG2 4.27Å; K8-L194 HydrophobicContact CD-CD1 4.14Å; K8-L194 PolarHBondContact NZ-O 2.83Å
9Q95.5Very high88.5Confident0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-64.1-43.5177-166.2177.321.700111.5V5 R6 E7 V11 A12 L13 L49 L141 F143 T145 T193V5-Q9 PolarHBondContact O-N 3.38Å; R6-Q9 PolarHBondContact O-N 2.9Å; E7-Q9 PolarHBondContact O-N 2.73Å; Q9-V11 VanDerWaalsContact C-N 3.34Å; Q9-V11 PolarHBondContact O-N 2.81Å; Q9-A12 WeakPolarHBondContact O-CB 3.46Å; Q9-A12 PolarHBondContact O-N 3.15Å; Q9-L13 PolarHBondContact O-N 3.38Å; Q9-L49 HydrophobicContact CB-CD1 4.2Å; Q9-L49 HydrophobicContact CG-CD1 3.76Å; Q9-L141 HydrophobicContact CG-CD2 4.08Å; Q9-F143 HydrophobicContact CB-CE2 4.23Å; Q9-F143 HydrophobicContact CB-CZ 4.28Å; Q9-F143 HydrophobicContact CG-CE2 4.04Å; Q9-F143 HydrophobicContact CG-CZ 4Å; Q9-F143 PolarHBondContact NE2-O 2.93Å; Q9-T145 PolarHBondContact OE1-OG1 3.16Å; Q9-T193 HydrophobicContact CB-CG2 4.48Å
10T95.2Very high88.7Confident20 Ų2045.8 Ų45.812%0.12324%0.243CC..Hα-helixtrans-60.7-42.8177-58.20000111.3R6 E7 A12 L13 K14 L50R6-T10 VanDerWaalsContact O-CB 3.31Å; R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 3.47Å; R6-T10 PolarHBondContact O-OG1 3.41Å; E7-T10 PolarHBondContact O-N 3.49Å; T10-A12 PolarHBondContact O-N 3.44Å; T10-L13 PolarHBondContact O-N 3.47Å; T10-K14 HydrophobicContact CG2-CD 4.13Å; T10-K14 HydrophobicContact CG2-CG 4.38Å; T10-K14 WeakPolarHBondContact O-CB 3.41Å; T10-K14 WeakPolarHBondContact O-CG 3.45Å; T10-K14 PolarHBondContact O-N 2.98Å; T10-L50 HydrophobicContact CG2-CD2 4.04Å
11V93.4Very high88.7Confident84 Ų8446.3 Ų46.351%0.50925%0.248SC..Hα-helixtrans-63.1-41.5176.5168.70000111.4E7 K8 Q9 K14 R15E7-V11 WeakPolarHBondContact O-CB 3.43Å; E7-V11 VanDerWaalsContact O-CG2 3.29Å; E7-V11 WeakPolarHBondContact O-CG2 3.24Å; E7-V11 PolarHBondContact O-N 2.86Å; K8-V11 PolarHBondContact O-N 3.34Å; Q9-V11 VanDerWaalsContact C-N 3.34Å; Q9-V11 PolarHBondContact O-N 2.81Å; V11-K14 PolarHBondContact O-N 2.85Å; V11-R15 WeakPolarHBondContact O-CB 3.11Å; V11-R15 PolarHBondContact O-N 2.92Å
12A93.6Very high90.5Very high26 Ų2639.1 Ų39.122%0.21522%0.219CC..Hα-helixtrans-62.4-44.8175.900000111.8K8 Q9 T10 R15 M16 L141K8-A12 PolarHBondContact O-N 3.38Å; Q9-A12 WeakPolarHBondContact O-CB 3.46Å; Q9-A12 PolarHBondContact O-N 3.15Å; T10-A12 PolarHBondContact O-N 3.44Å; A12-R15 WeakPolarHBondContact O-CB 3.41Å; A12-R15 PolarHBondContact O-N 3.42Å; A12-M16 PolarHBondContact O-N 2.91Å; A12-L141 HydrophobicContact CB-CD1 4.22Å; A12-L141 HydrophobicContact CB-CD2 3.74Å
13L95.8Very high91Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-62-46.7174.4-71175.8000112.2Q9 T10 R15 M16 L17 I45 I46 L49 L50 F81 L141Q9-L13 PolarHBondContact O-N 3.38Å; T10-L13 PolarHBondContact O-N 3.47Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.29Å; L13-M16 HydrophobicContact CD2-CE 3.39Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 PolarHBondContact O-N 3.36Å; L13-M16 VanDerWaalsContact O-N 3.12Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.24Å; L13-I45 HydrophobicContact CD1-CG2 4.32Å; L13-I45 HydrophobicContact CD2-CG2 4.4Å; L13-I46 HydrophobicContact CD1-CG1 4.23Å; L13-I46 HydrophobicContact CD2-CG1 4.15Å; L13-L49 HydrophobicContact CD1-CB 4.2Å; L13-L49 HydrophobicContact CD1-CD1 3.48Å; L13-L49 VanDerWaalsContact CD1-CD1 3.48Å; L13-L49 HydrophobicContact CD1-CG 4.47Å; L13-L50 HydrophobicContact CB-CD1 4.19Å; L13-L50 HydrophobicContact CD1-CD1 4.43Å; L13-F81 HydrophobicContact CD2-CE1 4.04Å; L13-F81 HydrophobicContact CD2-CE2 4.45Å; L13-F81 HydrophobicContact CD2-CZ 3.88Å; L13-L141 HydrophobicContact CD2-CD1 3.53Å; L13-L141 HydrophobicContact CG-CD1 4.02Å
14K94.1Very high90.2Very high64 Ų6443.7 Ų43.728%0.27824%0.235SC..Hα-helixtrans-61.1-37.6177.9-71.5-174.2176.8-176.90111.5T10 V11 N18 L50 E54 M58T10-K14 HydrophobicContact CG2-CD 4.13Å; T10-K14 HydrophobicContact CG2-CG 4.38Å; T10-K14 WeakPolarHBondContact O-CB 3.41Å; T10-K14 WeakPolarHBondContact O-CG 3.45Å; T10-K14 PolarHBondContact O-N 2.98Å; V11-K14 PolarHBondContact O-N 2.85Å; K14-N18 WeakPolarHBondContact O-CB 3.33Å; K14-N18 PolarHBondContact O-N 3.46Å; K14-N18 VanDerWaalsContact O-N 3.08Å; K14-L50 HydrophobicContact CD-CD2 4.38Å; K14-L50 HydrophobicContact CG-CD2 4.11Å; K14-E54 IonicContact NZ-OE1 3.99Å; K14-E54 PolarHBondContact NZ-OE1 2.85Å; K14-M58 HydrophobicContact CB-SD 4.22Å; K14-M58 HydrophobicContact CD-SD 4.39Å; K14-M58 HydrophobicContact CG-SD 3.78Å
15R93.4Very high88.6Confident89 Ų8952.8 Ų52.834%0.33627%0.273SS..Hα-helixtrans-63.6-45.6172.6-179-179177.4-179.2-0.2111.6V11 A12 L13 N18 N20 T21V11-R15 WeakPolarHBondContact O-CB 3.11Å; V11-R15 PolarHBondContact O-N 2.92Å; A12-R15 WeakPolarHBondContact O-CB 3.41Å; A12-R15 PolarHBondContact O-N 3.42Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.29Å; R15-N18 CarbonylContact O-C 3.58Å; R15-N18 PolarHBondContact O-N 3.22Å; R15-N20 PolarHBondContact NE-O 3.39Å; R15-N20 CarbonylContact O-C 3.49Å; R15-N20 WeakPolarHBondContact O-CA 3.43Å; R15-N20 PolarHBondContact O-N 3.05Å; R15-T21 PolarHBondContact O-N 3.21Å
16M95.6Very high86.7Confident0 Ų059.4 Ų59.40%031%0.308CS..Hα-helixtrans-61.3-48.2177.8178.1-111.1-60.200111.7A12 L13 N18 F19 N20 I79 F81 N107 Q139A12-M16 PolarHBondContact O-N 2.91Å; L13-M16 HydrophobicContact CD2-CE 3.39Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 PolarHBondContact O-N 3.36Å; L13-M16 VanDerWaalsContact O-N 3.12Å; M16-N18 PolarHBondContact O-N 2.85Å; M16-N18 VanDerWaalsContact O-N 3.14Å; M16-F19 PolarHBondContact O-N 2.89Å; M16-N20 PolarHBondContact O-N 2.79Å; M16-I79 HydrophobicContact SD-CG2 3.94Å; M16-F81 HydrophobicContact CE-CB 4.07Å; M16-F81 HydrophobicContact CE-CD1 4.04Å; M16-F81 HydrophobicContact CE-CD2 3.29Å; M16-F81 HydrophobicContact CE-CE1 4.28Å; M16-F81 HydrophobicContact CE-CE2 3.58Å; M16-F81 HydrophobicContact CE-CG 3.53Å; M16-F81 HydrophobicContact CE-CZ 4.06Å; M16-F81 HydrophobicContact SD-CB 4.03Å; M16-F81 HydrophobicContact SD-CD2 4.05Å; M16-F81 HydrophobicContact SD-CG 4.15Å; M16-N107 HydrophobicContact CG-CB 3.83Å; M16-N107 VanDerWaalsContact CG-CG 3.41Å; M16-N107 VanDerWaalsContact CG-OD1 3.29Å; M16-N107 WeakPolarHBondContact CG-OD1 3.4Å; M16-N107 HydrophobicContact SD-CB 4.17Å; M16-Q139 HydrophobicContact CG-CG 4.25Å
17L95.1Very high84.7Confident0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-63-19.9175.9-65.9172.1000112.7L13 F19 K34 L36 L50 L55 M58 I60 I79L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.24Å; L17-F19 VanDerWaalsContact C-N 3.33Å; L17-F19 PolarHBondContact O-N 2.85Å; L17-K34 WeakPolarHBondContact O-CE 3.45Å; L17-K34 PolarHBondContact O-NZ 2.98Å; L17-L36 HydrophobicContact CD2-CD1 3.84Å; L17-L36 HydrophobicContact CD2-CD2 4.11Å; L17-L50 HydrophobicContact CD1-CD1 3.54Å; L17-L55 HydrophobicContact CD1-CD2 3.75Å; L17-M58 HydrophobicContact CB-CE 4.41Å; L17-M58 HydrophobicContact CB-SD 4.41Å; L17-M58 HydrophobicContact CD1-CE 3.38Å; L17-M58 HydrophobicContact CD1-SD 4.24Å; L17-I60 HydrophobicContact CD2-CD1 4.06Å; L17-I79 WeakPolarHBondContact O-CD1 3.41Å
18N92.9Very high82.7Confident48 Ų4863.9 Ų63.926%0.25737%0.366SS..THydrogen-bonded Turntrans-96.241.6170.7-165.142.9000112.5K14 R15 M16 N20 T21K14-N18 WeakPolarHBondContact O-CB 3.33Å; K14-N18 PolarHBondContact O-N 3.46Å; K14-N18 VanDerWaalsContact O-N 3.08Å; R15-N18 CarbonylContact O-C 3.58Å; R15-N18 PolarHBondContact O-N 3.22Å; M16-N18 PolarHBondContact O-N 2.85Å; M16-N18 VanDerWaalsContact O-N 3.14Å; N18-N20 PolarHBondContact O-N 3.43Å; N18-T21 PolarHBondContact ND2-O 3.24Å; N18-T21 VanDerWaalsContact ND2-O 3.08Å; N18-T21 PolarHBondContact ND2-OG1 3.04Å; N18-T21 WeakPolarHBondContact O-CB 3.29Å; N18-T21 PolarHBondContact O-N 2.92Å; N18-T21 PolarHBondContact O-OG1 3.25Å
19F93.4Very high81.1Confident31 Ų3165.5 Ų65.514%0.13639%0.387CS..THydrogen-bonded Turntrans54.137.2178.9-54.2-65000113.9M16 L17 T21 V32 K34 P77 I79 F105 K135M16-F19 PolarHBondContact O-N 2.89Å; L17-F19 VanDerWaalsContact C-N 3.33Å; L17-F19 PolarHBondContact O-N 2.85Å; F19-T21 PolarHBondContact O-N 3.34Å; F19-V32 HydrophobicContact CE2-CB 4.05Å; F19-V32 HydrophobicContact CE2-CG1 4.17Å; F19-V32 HydrophobicContact CZ-CG1 4.22Å; F19-K34 HydrophobicContact CE1-CB 4.48Å; F19-K34 HydrophobicContact CE1-CD 3.91Å; F19-K34 HydrophobicContact CE2-CD 3.87Å; F19-K34 HydrophobicContact CZ-CB 4.14Å; F19-K34 HydrophobicContact CZ-CD 3.4Å; F19-K34 VanDerWaalsContact CZ-CD 3.4Å; F19-K34 HydrophobicContact CZ-CG 4.38Å; F19-P77 HydrophobicContact CE1-CB 4.14Å; F19-P77 HydrophobicContact CE1-CG 4.36Å; F19-P77 HydrophobicContact CZ-CB 4.25Å; F19-P77 HydrophobicContact CZ-CG 3.97Å; F19-I79 HydrophobicContact CD1-CD1 3.94Å; F19-I79 HydrophobicContact CD1-CG1 4.1Å; F19-I79 HydrophobicContact CE1-CD1 3.98Å; F19-I79 HydrophobicContact CE1-CG1 3.97Å; F19-F105 HydrophobicContact CB-CD1 4.15Å; F19-F105 HydrophobicContact CB-CE1 3.8Å; F19-F105 HydrophobicContact CB-CZ 4.36Å; F19-F105 AromaticContact CD1-CD1 3.66Å; F19-F105 HydrophobicContact CD1-CD1 3.66Å; F19-F105 AromaticContact CD1-CD2 3.67Å; F19-F105 HydrophobicContact CD1-CD2 3.67Å; F19-F105 AromaticContact CD1-CE1 3.5Å; F19-F105 HydrophobicContact CD1-CE1 3.5Å; F19-F105 AromaticContact CD1-CE2 3.51Å; F19-F105 HydrophobicContact CD1-CE2 3.51Å; F19-F105 AromaticContact CD1-CG 3.75Å; F19-F105 HydrophobicContact CD1-CG 3.75Å; F19-F105 AromaticContact CD1-CZ 3.42Å; F19-F105 HydrophobicContact CD1-CZ 3.42Å; F19-F105 VanDerWaalsContact CD1-CZ 3.42Å; F19-F105 AromaticContact CE1-CD2 3.76Å; F19-F105 HydrophobicContact CE1-CD2 3.76Å; F19-F105 HydrophobicContact CE1-CE1 4.36Å; F19-F105 AromaticContact CE1-CE2 3.52Å; F19-F105 HydrophobicContact CE1-CE2 3.52Å; F19-F105 HydrophobicContact CE1-CG 4.29Å; F19-F105 AromaticContact CE1-CZ 3.85Å; F19-F105 HydrophobicContact CE1-CZ 3.85Å; F19-F105 HydrophobicContact CG-CD1 4.35Å; F19-F105 AromaticContact CG-CE1 3.95Å; F19-F105 HydrophobicContact CG-CE1 3.95Å; F19-F105 HydrophobicContact CG-CZ 4.05Å; F19-K135 PolarHBondContact O-NZ 3.22Å
20N92.1Very high79.6Confident10 Ų1074.1 Ų74.15%0.05343%0.427CS..THydrogen-bonded Turntrans61.417.8-175.3-50.596000114.9R15 M16 N18 N107 F137 Q139R15-N20 PolarHBondContact NE-O 3.39Å; R15-N20 CarbonylContact O-C 3.49Å; R15-N20 WeakPolarHBondContact O-CA 3.43Å; R15-N20 PolarHBondContact O-N 3.05Å; M16-N20 PolarHBondContact O-N 2.79Å; N18-N20 PolarHBondContact O-N 3.43Å; N20-N107 PolarHBondContact ND2-OD1 3.39Å; N20-N107 PolarHBondContact OD1-OD1 3.09Å; N20-F137 HydrophobicContact CB-CD1 4.44Å; N20-F137 HydrophobicContact CB-CD2 4.32Å; N20-F137 HydrophobicContact CB-CE1 4.16Å; N20-F137 HydrophobicContact CB-CE2 4.07Å; N20-F137 HydrophobicContact CB-CZ 3.97Å; N20-Q139 PolarHBondContact ND2-NE2 3.42Å
21T88.2Confident78.4Confident58 Ų5876 Ų7636%0.35644%0.44SS..SBendtrans-100.5142.7176.466.90000111R15 N18 F19R15-T21 PolarHBondContact O-N 3.21Å; N18-T21 PolarHBondContact ND2-O 3.24Å; N18-T21 VanDerWaalsContact ND2-O 3.08Å; N18-T21 PolarHBondContact ND2-OG1 3.04Å; N18-T21 WeakPolarHBondContact O-CB 3.29Å; N18-T21 PolarHBondContact O-N 2.92Å; N18-T21 PolarHBondContact O-OG1 3.25Å; F19-T21 PolarHBondContact O-N 3.34Å
22P80.7Confident78Confident90 Ų9076 Ų7658%0.58444%0.439SS*.PPolyproline II helixtrans-56.7135.7174.9-21.332.2000110.5L24P22-L24 PolarHBondContact O-N 2.95Å
23P68.5Low78Confident81 Ų8181.6 Ų81.653%0.52646%0.455SS..PPolyproline II helixtrans-60.5127.417622.4-30.1000109.9K25P23-K25 PolarHBondContact O-N 3.45Å
24L62.9Low78Confident140 Ų14081.8 Ų81.873%0.73346%0.456SS*.PPolyproline II helixtrans-65.1128.1177.7-73.2159.9000109.2P22 N26P22-L24 PolarHBondContact O-N 2.95Å; L24-N26 PolarHBondContact O-N 3.28Å
25K57.2Low78.1Confident208 Ų20878.8 Ų78.890%0.90444%0.443SS*.SBendtrans-69-10.6-178.9-71.5-175.8176.8-179.30114.2P23P23-K25 PolarHBondContact O-N 3.45Å
26N52.9Low78.4Confident141 Ų14174.5 Ų74.575%0.75443%0.427SS*.SBendtrans-114111.8-177.8-72-7.5000110.8L24 A28L24-N26 PolarHBondContact O-N 3.28Å; N26-A28 PolarHBondContact O-N 2.9Å
27A51.9Low78.5Confident113 Ų11374.5 Ų74.593%0.93443%0.427SS*.THydrogen-bonded Turntrans-75.172.1-175.900000113.3
28A51.1Low78.6Confident99 Ų9975.3 Ų75.382%0.81843%0.43SS*.THydrogen-bonded Turntrans-135.70170.100000114.3N26N26-A28 PolarHBondContact O-N 2.9Å
29A59.1Low78.9Confident74 Ų7473.3 Ų73.361%0.61242%0.42SS*.SBendtrans-90.212317200000109
30E64.4Low79Confident181 Ų18178 Ų7885%0.84644%0.436SS*.PPolyproline II helixtrans-58.7131.4171.1-70.7-176.5162.400109.4V32E30-V32 PolarHBondContact O-N 2.94Å
31P70.4Confident79.3Confident60 Ų6079.6 Ų79.639%0.3944%0.443SS..PPolyproline II helixtrans-64.5128.6178.426-32000109.4W33P31-W33 PolarHBondContact O-N 2.92Å
32V85.4Confident79.7Confident82 Ų8276.8 Ų76.850%0.49743%0.426SS..PPolyproline II helixtrans-68121.4171.7179.50000108.3F19 E30 P77F19-V32 HydrophobicContact CE2-CB 4.05Å; F19-V32 HydrophobicContact CE2-CG1 4.17Å; F19-V32 HydrophobicContact CZ-CG1 4.22Å; E30-V32 PolarHBondContact O-N 2.94Å; V32-P77 HydrophobicContact CG1-CG 4.21Å
33W92.7Very high80.5Confident144 Ų14475 Ų7555%0.54541%0.409SS..PPolyproline II helixtrans-64.3133.3175.8-58.3120.5000110.6P31 G59 T61 P77P31-W33 PolarHBondContact O-N 2.92Å; W33-G59 CarbonylContact C-O 3.51Å; W33-G59 WeakPolarHBondContact CA-O 3.43Å; W33-T61 HydrophobicContact CB-CG2 3.93Å; W33-T61 HydrophobicContact CD2-CG2 3.82Å; W33-T61 HydrophobicContact CE3-CG2 3.34Å; W33-T61 HydrophobicContact CG-CG2 4.09Å; W33-T61 HydrophobicContact CZ3-CG2 4.12Å; W33-P77 WeakPolarHBondContact O-CD 3.4Å; W33-P77 WeakPolarHBondContact O-CG 3.35Å
34K95.3Very high81.8Confident4 Ų471.7 Ų71.72%0.01739%0.387CS..EExtended strand (participates in β ladder)trans-150.7159.7-177.562.6-142.6158.7-176.20112.3L17 F19 M58 G59 I60 T61 P77 I79L17-K34 WeakPolarHBondContact O-CE 3.45Å; L17-K34 PolarHBondContact O-NZ 2.98Å; F19-K34 HydrophobicContact CE1-CB 4.48Å; F19-K34 HydrophobicContact CE1-CD 3.91Å; F19-K34 HydrophobicContact CE2-CD 3.87Å; F19-K34 HydrophobicContact CZ-CB 4.14Å; F19-K34 HydrophobicContact CZ-CD 3.4Å; F19-K34 VanDerWaalsContact CZ-CD 3.4Å; F19-K34 HydrophobicContact CZ-CG 4.38Å; K34-M58 WeakPolarHBondContact CE-O 3.49Å; K34-M58 PolarHBondContact NZ-O 3.1Å; K34-G59 PolarHBondContact N-O 3.47Å; K34-I60 HydrophobicContact CD-CD1 4.16Å; K34-I60 HydrophobicContact CG-CD1 3.52Å; K34-I60 WeakPolarHBondContact O-CA 3.3Å; K34-T61 PolarHBondContact O-N 3.14Å; K34-T61 PolarHBondContact O-OG1 2.87Å; K34-P77 VanDerWaalsContact CA-O 3.3Å; K34-P77 WeakPolarHBondContact CA-O 3.34Å; K34-P77 HydrophobicContact CB-CG 3.97Å; K34-P77 WeakPolarHBondContact CB-O 3.45Å; K34-I79 HydrophobicContact CD-CD1 3.84Å; K34-I79 HydrophobicContact CG-CD1 4.27Å
35V97.4Very high83.4Confident1 Ų165.2 Ų65.21%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-99.1136.9175.2-176.50000109.4I37 L62 L64 I73 V76 P77 A78 I79 Y101V35-I37 HydrophobicContact CG1-CD1 3.62Å; V35-I37 HydrophobicContact CG1-CG1 4.3Å; V35-L62 WeakPolarHBondContact CA-O 3.28Å; V35-L62 HydrophobicContact CG1-CB 4.24Å; V35-L62 HydrophobicContact CG2-CB 4.48Å; V35-L64 HydrophobicContact CG1-CD1 4.34Å; V35-I73 HydrophobicContact CG2-CD1 4.19Å; V35-V76 HydrophobicContact CG2-CG1 3.85Å; V35-P77 PolarHBondContact N-O 3.46Å; V35-A78 HydrophobicContact CB-CB 4.4Å; V35-A78 CarbonylContact O-C 3.53Å; V35-A78 WeakPolarHBondContact O-CA 3.49Å; V35-I79 PolarHBondContact O-N 3.01Å; V35-Y101 HydrophobicContact CB-CE1 4.24Å; V35-Y101 HydrophobicContact CG1-CE1 4.17Å; V35-Y101 HydrophobicContact CG2-CE1 4.2Å
36L98.3Very high85.3Confident0 Ų055.6 Ų55.60%031%0.312CS..EExtended strand (participates in β ladder)trans-100.6120.7170.9177.158.7000109.9L17 Y38 I46 L55 I60 L62 H63 L64 I79 F81L17-L36 HydrophobicContact CD2-CD1 3.84Å; L17-L36 HydrophobicContact CD2-CD2 4.11Å; L36-Y38 HydrophobicContact CD1-CD1 4.4Å; L36-Y38 HydrophobicContact CD2-CD1 3.72Å; L36-Y38 HydrophobicContact CD2-CE1 3.89Å; L36-Y38 HydrophobicContact CG-CD1 3.72Å; L36-Y38 HydrophobicContact CG-CE1 4.19Å; L36-I46 HydrophobicContact CD2-CD1 4.01Å; L36-L55 HydrophobicContact CD2-CD2 4.36Å; L36-I60 HydrophobicContact CB-CD1 4.14Å; L36-I60 HydrophobicContact CB-CG2 3.66Å; L36-L62 PolarHBondContact N-O 3.49Å; L36-H63 HydrophobicContact CB-CB 4.06Å; L36-H63 HydrophobicContact CD2-CB 4.29Å; L36-H63 HydrophobicContact CG-CB 4.42Å; L36-H63 CarbonylContact O-C 3.56Å; L36-H63 WeakPolarHBondContact O-CA 3.25Å; L36-L64 PolarHBondContact O-N 3.35Å; L36-I79 HydrophobicContact CD1-CB 4.47Å; L36-I79 HydrophobicContact CD1-CG2 4.28Å; L36-F81 HydrophobicContact CD1-CB 4.46Å
37I98.6Very high87.2Confident0 Ų051.3 Ų51.30%029%0.293CS..EExtended strand (participates in β ladder)trans-109.3123.5172.7-55-53000108.1V35 L64 L66 I79 Y80 F81 Y101V35-I37 HydrophobicContact CG1-CD1 3.62Å; V35-I37 HydrophobicContact CG1-CG1 4.3Å; I37-L64 WeakPolarHBondContact CA-O 3.38Å; I37-L64 HydrophobicContact CD1-CB 3.89Å; I37-L64 HydrophobicContact CD1-CD1 4.38Å; I37-L66 HydrophobicContact CG2-CB 4.08Å; I37-L66 HydrophobicContact CG2-CD1 3.73Å; I37-I79 PolarHBondContact N-O 3.49Å; I37-Y80 HydrophobicContact CB-CD1 4.06Å; I37-Y80 HydrophobicContact CB-CD2 4.27Å; I37-Y80 HydrophobicContact CB-CE1 4.18Å; I37-Y80 HydrophobicContact CB-CE2 4.37Å; I37-Y80 HydrophobicContact CB-CG 4.1Å; I37-Y80 HydrophobicContact CG1-CD2 4.38Å; I37-Y80 HydrophobicContact CG1-CE1 4.43Å; I37-Y80 HydrophobicContact CG1-CE2 4.07Å; I37-Y80 HydrophobicContact CG2-CD1 3.86Å; I37-Y80 HydrophobicContact CG2-CE1 3.83Å; I37-Y80 HydrophobicContact CG2-CG 4.4Å; I37-Y80 CarbonylContact O-C 3.51Å; I37-Y80 VanDerWaalsContact O-CA 3.29Å; I37-Y80 WeakPolarHBondContact O-CA 3.47Å; I37-F81 PolarHBondContact O-N 2.95Å; I37-Y101 WeakPolarHBondContact CD1-OH 2.87Å; I37-Y101 HydrophobicContact CG1-CE2 4.31Å
38Y98Very high89.2Confident16 Ų1646.6 Ų46.66%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-135.6162.817452.1-125.3000111.3L36 Q43 I46 H63 L64 L65 L66 F81L36-Y38 HydrophobicContact CD1-CD1 4.4Å; L36-Y38 HydrophobicContact CD2-CD1 3.72Å; L36-Y38 HydrophobicContact CD2-CE1 3.89Å; L36-Y38 HydrophobicContact CG-CD1 3.72Å; L36-Y38 HydrophobicContact CG-CE1 4.19Å; Y38-Q43 HydrophobicContact CD2-CB 3.78Å; Y38-Q43 HydrophobicContact CE2-CB 3.68Å; Y38-Q43 HydrophobicContact CE2-CG 3.92Å; Y38-Q43 HydrophobicContact CG-CB 4.45Å; Y38-I46 HydrophobicContact CD1-CD1 4.31Å; Y38-H63 HydrophobicContact CE1-CB 3.97Å; Y38-H63 PolarHBondContact OH-CD2 3.05Å; Y38-H63 VanDerWaalsContact OH-CD2 3.24Å; Y38-L64 PolarHBondContact N-O 3.12Å; Y38-L64 VanDerWaalsContact N-O 3.13Å; Y38-L65 HydrophobicContact CD2-CD2 3.87Å; Y38-L65 HydrophobicContact CE2-CD2 3.76Å; Y38-L65 HydrophobicContact CE2-CG 4.29Å; Y38-L65 CarbonylContact O-C 3.51Å; Y38-L65 VanDerWaalsContact O-CA 3.27Å; Y38-L65 WeakPolarHBondContact O-CA 3.12Å; Y38-L66 PolarHBondContact O-N 3.47Å; Y38-F81 VanDerWaalsContact CA-O 3.31Å; Y38-F81 WeakPolarHBondContact CA-O 3.47Å; Y38-F81 WeakPolarHBondContact CB-O 3.42Å
39D97.8Very high91.3Very high7 Ų742.5 Ų42.54%0.03722%0.217CC..  trans-92.7-173.1164.862.53.6000109.6F41 G42 Q43 L82 M83 N88D39-F41 VanDerWaalsContact C-N 3.31Å; D39-F41 PolarHBondContact O-N 3.49Å; D39-F41 PolarHBondContact OD1-N 3.42Å; D39-G42 PolarHBondContact O-N 3.3Å; D39-G42 PolarHBondContact OD1-N 3.29Å; D39-Q43 WeakPolarHBondContact O-CB 3.43Å; D39-Q43 PolarHBondContact O-N 3.14Å; D39-L82 HydrophobicContact CB-CD2 3.89Å; D39-M83 VanDerWaalsContact OD2-CB 3.23Å; D39-M83 WeakPolarHBondContact OD2-CB 3.28Å; D39-M83 PolarHBondContact OD2-N 2.65Å; D39-N88 PolarHBondContact OD2-ND2 3.32Å
40R96.8Very high92.9Very high129 Ų12939.3 Ų39.349%0.48719%0.19SC..Hα-helixtrans-64.8-34.7177.9-65.9-63.9-171.9177.34.4112.6Q43 D44 L65 Q156R40-Q43 PolarHBondContact O-N 3.44Å; R40-D44 PolarHBondContact O-N 2.72Å; R40-L65 VanDerWaalsContact CZ-CD1 3.46Å; R40-Q156 HydrophobicContact CB-CG 3.7Å
41F96.9Very high94.2Very high43 Ų4333.3 Ų33.319%0.18917%0.168CC..Hα-helixtrans-63.5-48.6175.7-67.9-92.5000111.1D39 Q43 D44 I45 M83 I109 Q156D39-F41 VanDerWaalsContact C-N 3.31Å; D39-F41 PolarHBondContact O-N 3.49Å; D39-F41 PolarHBondContact OD1-N 3.42Å; F41-Q43 VanDerWaalsContact C-N 3.32Å; F41-Q43 PolarHBondContact O-N 3.36Å; F41-D44 PolarHBondContact O-N 3.43Å; F41-I45 WeakPolarHBondContact O-CD1 3.21Å; F41-I45 WeakPolarHBondContact O-CG1 3.38Å; F41-I45 PolarHBondContact O-N 3.45Å; F41-I45 VanDerWaalsContact O-N 3.1Å; F41-M83 HydrophobicContact CB-CB 4.39Å; F41-M83 HydrophobicContact CD1-SD 4.37Å; F41-M83 HydrophobicContact CD2-CB 4.15Å; F41-M83 HydrophobicContact CD2-CG 4.45Å; F41-M83 HydrophobicContact CG-CB 4.32Å; F41-M83 HydrophobicContact CG-CG 4.47Å; F41-M83 HydrophobicContact CG-SD 4.39Å; F41-I109 HydrophobicContact CB-CD1 3.73Å; F41-Q156 HydrophobicContact CD1-CB 3.87Å; F41-Q156 HydrophobicContact CD1-CG 4.33Å; F41-Q156 HydrophobicContact CD2-CB 4.29Å; F41-Q156 HydrophobicContact CD2-CG 4.35Å; F41-Q156 HydrophobicContact CE1-CB 3.51Å; F41-Q156 HydrophobicContact CE1-CG 4.41Å; F41-Q156 HydrophobicContact CE2-CB 3.95Å; F41-Q156 HydrophobicContact CE2-CG 4.41Å; F41-Q156 HydrophobicContact CG-CB 4.25Å; F41-Q156 HydrophobicContact CG-CG 4.3Å; F41-Q156 HydrophobicContact CZ-CB 3.54Å; F41-Q156 HydrophobicContact CZ-CG 4.43Å
42G97.3Very high95.2Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-62.7-38.2177.300000112.6D39 I45 I46D39-G42 PolarHBondContact O-N 3.3Å; D39-G42 PolarHBondContact OD1-N 3.29Å; G42-I45 PolarHBondContact O-N 3.34Å; G42-I46 WeakPolarHBondContact O-CB 3.48Å; G42-I46 WeakPolarHBondContact O-CG1 3.39Å; G42-I46 PolarHBondContact O-N 3.14Å
43Q96.7Very high95.5Very high51 Ų5137.3 Ų37.324%0.23818%0.18CC..Hα-helixtrans-59.9-47.2173.5-175.3174.625.400112Y38 D39 R40 F41 I45 I46 S47Y38-Q43 HydrophobicContact CD2-CB 3.78Å; Y38-Q43 HydrophobicContact CE2-CB 3.68Å; Y38-Q43 HydrophobicContact CE2-CG 3.92Å; Y38-Q43 HydrophobicContact CG-CB 4.45Å; D39-Q43 WeakPolarHBondContact O-CB 3.43Å; D39-Q43 PolarHBondContact O-N 3.14Å; R40-Q43 PolarHBondContact O-N 3.44Å; F41-Q43 VanDerWaalsContact C-N 3.32Å; F41-Q43 PolarHBondContact O-N 3.36Å; Q43-I45 VanDerWaalsContact C-N 3.28Å; Q43-I45 PolarHBondContact O-N 3.47Å; Q43-I46 PolarHBondContact O-N 2.82Å; Q43-S47 VanDerWaalsContact O-CB 3.28Å; Q43-S47 WeakPolarHBondContact O-CB 3.39Å; Q43-S47 PolarHBondContact O-N 2.86Å; Q43-S47 PolarHBondContact O-OG 3.42Å
44D96.4Very high95.4Very high12 Ų1233.4 Ų33.46%0.06417%0.168CC..Hα-helixtrans-68.4-28.4-177.8-68.6-9.4000112.5R40 F41 P48 I144 H155 Q156 L279R40-D44 PolarHBondContact O-N 2.72Å; F41-D44 PolarHBondContact O-N 3.43Å; D44-P48 WeakPolarHBondContact O-CD 3.49Å; D44-I144 HydrophobicContact CB-CD1 3.8Å; D44-H155 HydrophobicContact CB-CB 4.35Å; D44-H155 WeakPolarHBondContact OD2-CB 3.43Å; D44-H155 IonicContact OD2-CD2 2.68Å; D44-H155 PolarHBondContact OD2-CD2 2.88Å; D44-H155 VanDerWaalsContact OD2-CD2 3.32Å; D44-H155 IonicContact OD2-CG 3.33Å; D44-Q156 VanDerWaalsContact OD2-CG 3.29Å; D44-Q156 WeakPolarHBondContact OD2-CG 3.48Å; D44-Q156 PolarHBondContact OD2-NE2 3.36Å; D44-L279 HydrophobicContact CB-CD1 3.81Å; D44-L279 WeakPolarHBondContact OD1-CD1 3.36Å
45I97.4Very high95.3Very high5 Ų533.7 Ų33.73%0.02617%0.169CC..Hα-helixtrans-75-43.1173.9-66.1160.5000111.4L13 F41 G42 Q43 L49 F81 I109 L141 I144L13-I45 HydrophobicContact CD1-CG2 4.32Å; L13-I45 HydrophobicContact CD2-CG2 4.4Å; F41-I45 WeakPolarHBondContact O-CD1 3.21Å; F41-I45 WeakPolarHBondContact O-CG1 3.38Å; F41-I45 PolarHBondContact O-N 3.45Å; F41-I45 VanDerWaalsContact O-N 3.1Å; G42-I45 PolarHBondContact O-N 3.34Å; Q43-I45 VanDerWaalsContact C-N 3.28Å; Q43-I45 PolarHBondContact O-N 3.47Å; I45-L49 WeakPolarHBondContact O-CD1 3.33Å; I45-F81 HydrophobicContact CB-CE1 4.1Å; I45-F81 HydrophobicContact CB-CZ 4.45Å; I45-F81 HydrophobicContact CD1-CE1 4.26Å; I45-F81 HydrophobicContact CD1-CZ 4.1Å; I45-F81 HydrophobicContact CG2-CE1 4.08Å; I45-F81 HydrophobicContact CG2-CZ 4.09Å; I45-I109 HydrophobicContact CD1-CD1 3.95Å; I45-I109 HydrophobicContact CD1-CG1 4.18Å; I45-I109 HydrophobicContact CD1-CG2 3.64Å; I45-L141 WeakPolarHBondContact CD1-O 3.43Å; I45-I144 HydrophobicContact CG1-CG1 3.91Å
46I95.8Very high95.1Very high5 Ų540.4 Ų40.43%0.02620%0.195CC..Hα-helixtrans-75.4-41.7-175.6-72.3176.3000111.7L13 L36 Y38 G42 Q43 L49 L50 L55 F81L13-I46 HydrophobicContact CD1-CG1 4.23Å; L13-I46 HydrophobicContact CD2-CG1 4.15Å; L36-I46 HydrophobicContact CD2-CD1 4.01Å; Y38-I46 HydrophobicContact CD1-CD1 4.31Å; G42-I46 WeakPolarHBondContact O-CB 3.48Å; G42-I46 WeakPolarHBondContact O-CG1 3.39Å; G42-I46 PolarHBondContact O-N 3.14Å; Q43-I46 PolarHBondContact O-N 2.82Å; I46-L49 PolarHBondContact O-N 2.76Å; I46-L50 HydrophobicContact CG2-CB 4.19Å; I46-L50 HydrophobicContact CG2-CD1 4.29Å; I46-L50 PolarHBondContact O-N 3.14Å; I46-L55 HydrophobicContact CG2-CD1 4.48Å; I46-L55 HydrophobicContact CG2-CD2 4.36Å; I46-F81 HydrophobicContact CD1-CD1 3.64Å; I46-F81 HydrophobicContact CD1-CE1 4.1Å; I46-F81 HydrophobicContact CG1-CD1 4.07Å; I46-F81 HydrophobicContact CG1-CE1 4Å
47S93.6Very high94.7Very high52 Ų5245.1 Ų45.136%0.36422%0.22SC..THydrogen-bonded Turntrans-59.3-36.4-167.559.90000115.7Q43 L49Q43-S47 VanDerWaalsContact O-CB 3.28Å; Q43-S47 WeakPolarHBondContact O-CB 3.39Å; Q43-S47 PolarHBondContact O-N 2.86Å; Q43-S47 PolarHBondContact O-OG 3.42Å; S47-L49 VanDerWaalsContact C-N 3.28Å; S47-L49 PolarHBondContact O-N 3.23Å
48P93.8Very high94.3Very high13 Ų1347 Ų478%0.08423%0.229CC..THydrogen-bonded Turntrans-77.3-15.6176.8-15.933.9000112.9R6 D44 I144 L146 L279R6-P48 PolarHBondContact NH2-O 3.26Å; D44-P48 WeakPolarHBondContact O-CD 3.49Å; P48-I144 HydrophobicContact CG-CG2 3.87Å; P48-L146 HydrophobicContact CB-CD2 4.22Å; P48-L146 HydrophobicContact CG-CD2 4.1Å; P48-L279 HydrophobicContact CG-CB 4.32Å; P48-L279 HydrophobicContact CG-CD2 4.46Å
49L94.4Very high94.1Very high13 Ų1346.2 Ų46.27%0.06823%0.226CC..THydrogen-bonded Turntrans-104-33.3-169-67.1178.4000113.8R6 Q9 L13 I45 I46 S47 T145R6-L49 HydrophobicContact CG-CD2 3.38Å; Q9-L49 HydrophobicContact CB-CD1 4.2Å; Q9-L49 HydrophobicContact CG-CD1 3.76Å; L13-L49 HydrophobicContact CD1-CB 4.2Å; L13-L49 HydrophobicContact CD1-CD1 3.48Å; L13-L49 VanDerWaalsContact CD1-CD1 3.48Å; L13-L49 HydrophobicContact CD1-CG 4.47Å; I45-L49 WeakPolarHBondContact O-CD1 3.33Å; I46-L49 PolarHBondContact O-N 2.76Å; S47-L49 VanDerWaalsContact C-N 3.28Å; S47-L49 PolarHBondContact O-N 3.23Å; L49-T145 WeakPolarHBondContact CD2-OG1 3.46Å
50L93.4Very high94Very high8 Ų846.1 Ų46.14%0.04223%0.226CC..  trans-131.5124.9-173.2-62.4172.6000110.6T10 L13 K14 L17 I46 L55 M58T10-L50 HydrophobicContact CG2-CD2 4.04Å; L13-L50 HydrophobicContact CB-CD1 4.19Å; L13-L50 HydrophobicContact CD1-CD1 4.43Å; K14-L50 HydrophobicContact CD-CD2 4.38Å; K14-L50 HydrophobicContact CG-CD2 4.11Å; L17-L50 HydrophobicContact CD1-CD1 3.54Å; I46-L50 HydrophobicContact CG2-CB 4.19Å; I46-L50 HydrophobicContact CG2-CD1 4.29Å; I46-L50 PolarHBondContact O-N 3.14Å; L50-L55 HydrophobicContact CB-CD2 4.21Å; L50-L55 HydrophobicContact CB-CG 4.42Å; L50-L55 HydrophobicContact CD1-CD2 4.03Å; L50-M58 HydrophobicContact CD1-CE 4.07Å; L50-M58 HydrophobicContact CD2-CE 4.4Å
51S91.8Very high93.8Very high55 Ų5543.4 Ų43.439%0.38522%0.223SC..  trans-73.4158.3171.764.90000111.7K53 E54 L55S51-K53 PolarHBondContact O-N 2.97Å; S51-E54 PolarHBondContact N-OE2 3.47Å; S51-E54 PolarHBondContact O-N 3.36Å; S51-E54 WeakPolarHBondContact OG-CG 3.35Å; S51-E54 PolarHBondContact OG-N 3.04Å; S51-E54 VanDerWaalsContact OG-N 3.13Å; S51-E54 PolarHBondContact OG-OE2 3.05Å; S51-E54 VanDerWaalsContact OG-OE2 3.11Å; S51-L55 PolarHBondContact O-N 3.38Å
52V91.9Very high93.7Very high92 Ų9245.1 Ų45.156%0.55823%0.234SC*.Hα-helixtrans-57-34.8172.3177.80000111.3L55 R56V52-L55 PolarHBondContact O-N 3.06Å; V52-R56 WeakPolarHBondContact O-CB 3.34Å; V52-R56 PolarHBondContact O-N 2.71Å
53K90.3Very high93.6Very high133 Ų13348.6 Ų48.658%0.57825%0.25SS*.Hα-helixtrans-60.7-50174-178.3-176.8174.2-173.50110.9S51 L55 R56 D57S51-K53 PolarHBondContact O-N 2.97Å; K53-L55 PolarHBondContact O-N 3.2Å; K53-R56 PolarHBondContact O-N 2.99Å; K53-D57 PolarHBondContact O-N 2.91Å
54E91.4Very high93.6Very high63 Ų6348.6 Ų48.629%0.29425%0.252SS..Hα-helixtrans-63.3-39.5178.3-74.4173.3107.600112.7K14 S51 R56 D57 M58K14-E54 IonicContact NZ-OE1 3.99Å; K14-E54 PolarHBondContact NZ-OE1 2.85Å; S51-E54 PolarHBondContact N-OE2 3.47Å; S51-E54 PolarHBondContact O-N 3.36Å; S51-E54 WeakPolarHBondContact OG-CG 3.35Å; S51-E54 PolarHBondContact OG-N 3.04Å; S51-E54 VanDerWaalsContact OG-N 3.13Å; S51-E54 PolarHBondContact OG-OE2 3.05Å; S51-E54 VanDerWaalsContact OG-OE2 3.11Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.77Å; E54-D57 PolarHBondContact O-N 3.43Å; E54-M58 WeakPolarHBondContact O-CE 3.41Å; E54-M58 WeakPolarHBondContact O-CG 3.32Å; E54-M58 PolarHBondContact O-N 3.27Å; E54-M58 VanDerWaalsContact O-N 3.08Å
55L94.1Very high93.7Very high9 Ų950.2 Ų50.25%0.04726%0.26CS..Hα-helixtrans-57.7-46.9174.2-69178.7000110.9L17 L36 I46 L50 S51 V52 K53 M58 G59 I60L17-L55 HydrophobicContact CD1-CD2 3.75Å; L36-L55 HydrophobicContact CD2-CD2 4.36Å; I46-L55 HydrophobicContact CG2-CD1 4.48Å; I46-L55 HydrophobicContact CG2-CD2 4.36Å; L50-L55 HydrophobicContact CB-CD2 4.21Å; L50-L55 HydrophobicContact CB-CG 4.42Å; L50-L55 HydrophobicContact CD1-CD2 4.03Å; S51-L55 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 3.06Å; K53-L55 PolarHBondContact O-N 3.2Å; L55-M58 HydrophobicContact CD2-CE 3.89Å; L55-M58 PolarHBondContact O-N 3.47Å; L55-G59 PolarHBondContact O-N 3.34Å; L55-I60 HydrophobicContact CB-CB 4.13Å; L55-I60 HydrophobicContact CB-CG1 4.37Å; L55-I60 HydrophobicContact CD2-CG1 4.5Å; L55-I60 VanDerWaalsContact O-CB 3.24Å; L55-I60 WeakPolarHBondContact O-CB 3.41Å; L55-I60 WeakPolarHBondContact O-CG1 3.38Å; L55-I60 PolarHBondContact O-N 3.24Å
56R92.9Very high93.7Very high143 Ų14350 Ų5054%0.5426%0.259SS..Hα-helixtrans-63.7-42.6177.3-177179.360.9-147.8-3.4112.3V52 K53 E54 M58 G59V52-R56 WeakPolarHBondContact O-CB 3.34Å; V52-R56 PolarHBondContact O-N 2.71Å; K53-R56 PolarHBondContact O-N 2.99Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.77Å; R56-M58 PolarHBondContact O-N 3.17Å; R56-G59 PolarHBondContact O-N 2.98Å
57D90Very high93.7Very high99 Ų9953.8 Ų53.853%0.52928%0.276SS..Hα-helixtrans-63.1-21.8177.6-64.5-12.9000111.7K53 E54K53-D57 PolarHBondContact O-N 2.91Å; E54-D57 PolarHBondContact O-N 3.43Å
58M90.3Very high93.8Very high38 Ų3853.1 Ų53.119%0.18727%0.271CS..THydrogen-bonded Turntrans-90.36173.1-67.1-175.3-62.700114.5K14 L17 K34 L50 E54 L55 R56K14-M58 HydrophobicContact CB-SD 4.22Å; K14-M58 HydrophobicContact CD-SD 4.39Å; K14-M58 HydrophobicContact CG-SD 3.78Å; L17-M58 HydrophobicContact CB-CE 4.41Å; L17-M58 HydrophobicContact CB-SD 4.41Å; L17-M58 HydrophobicContact CD1-CE 3.38Å; L17-M58 HydrophobicContact CD1-SD 4.24Å; K34-M58 WeakPolarHBondContact CE-O 3.49Å; K34-M58 PolarHBondContact NZ-O 3.1Å; L50-M58 HydrophobicContact CD1-CE 4.07Å; L50-M58 HydrophobicContact CD2-CE 4.4Å; E54-M58 WeakPolarHBondContact O-CE 3.41Å; E54-M58 WeakPolarHBondContact O-CG 3.32Å; E54-M58 PolarHBondContact O-N 3.27Å; E54-M58 VanDerWaalsContact O-N 3.08Å; L55-M58 HydrophobicContact CD2-CE 3.89Å; L55-M58 PolarHBondContact O-N 3.47Å; R56-M58 PolarHBondContact O-N 3.17Å
59G92.3Very high93.8Very high0 Ų060.3 Ų60.30%031%0.309CS..THydrogen-bonded Turntrans88.410.3179.200000115W33 K34 L55 R56 T61W33-G59 CarbonylContact C-O 3.51Å; W33-G59 WeakPolarHBondContact CA-O 3.43Å; K34-G59 PolarHBondContact N-O 3.47Å; L55-G59 PolarHBondContact O-N 3.34Å; R56-G59 PolarHBondContact O-N 2.98Å; G59-T61 PolarHBondContact O-N 3.18Å
60I95.7Very high93.8Very high6 Ų660.8 Ų60.83%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-79.7106.6174.6-52-67.7000108.8L17 K34 L36 L55 L62 H63L17-I60 HydrophobicContact CD2-CD1 4.06Å; K34-I60 HydrophobicContact CD-CD1 4.16Å; K34-I60 HydrophobicContact CG-CD1 3.52Å; K34-I60 WeakPolarHBondContact O-CA 3.3Å; L36-I60 HydrophobicContact CB-CD1 4.14Å; L36-I60 HydrophobicContact CB-CG2 3.66Å; L55-I60 HydrophobicContact CB-CB 4.13Å; L55-I60 HydrophobicContact CB-CG1 4.37Å; L55-I60 HydrophobicContact CD2-CG1 4.5Å; L55-I60 VanDerWaalsContact O-CB 3.24Å; L55-I60 WeakPolarHBondContact O-CB 3.41Å; L55-I60 WeakPolarHBondContact O-CG1 3.38Å; L55-I60 PolarHBondContact O-N 3.24Å; I60-L62 WeakPolarHBondContact CG2-O 3.29Å; I60-H63 HydrophobicContact CG2-CB 4.48Å
61T92.4Very high93.8Very high72 Ų7267 Ų6744%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-84.3-37-179.9540000112W33 K34 G59W33-T61 HydrophobicContact CB-CG2 3.93Å; W33-T61 HydrophobicContact CD2-CG2 3.82Å; W33-T61 HydrophobicContact CE3-CG2 3.34Å; W33-T61 HydrophobicContact CG-CG2 4.09Å; W33-T61 HydrophobicContact CZ3-CG2 4.12Å; K34-T61 PolarHBondContact O-N 3.14Å; K34-T61 PolarHBondContact O-OG1 2.87Å; G59-T61 PolarHBondContact O-N 3.18Å
62L95.1Very high93.9Very high79 Ų7968.4 Ų68.441%0.41435%0.351SS..EExtended strand (participates in β ladder)trans-135.1140.9-179.9-66.7174.2000109.9V35 L36 I60 I73V35-L62 WeakPolarHBondContact CA-O 3.28Å; V35-L62 HydrophobicContact CG1-CB 4.24Å; V35-L62 HydrophobicContact CG2-CB 4.48Å; L36-L62 PolarHBondContact N-O 3.49Å; I60-L62 WeakPolarHBondContact CG2-O 3.29Å; L62-I73 HydrophobicContact CD1-CD1 3.77Å
63H96.2Very high94.1Very high73 Ų7366.4 Ų66.434%0.33834%0.337SS..EExtended strand (participates in β ladder)trans-127.6124.517054-90.1000109.5L36 Y38 I60L36-H63 HydrophobicContact CB-CB 4.06Å; L36-H63 HydrophobicContact CD2-CB 4.29Å; L36-H63 HydrophobicContact CG-CB 4.42Å; L36-H63 CarbonylContact O-C 3.56Å; L36-H63 WeakPolarHBondContact O-CA 3.25Å; Y38-H63 HydrophobicContact CE1-CB 3.97Å; Y38-H63 PolarHBondContact OH-CD2 3.05Å; Y38-H63 VanDerWaalsContact OH-CD2 3.24Å; I60-H63 HydrophobicContact CG2-CB 4.48Å
64L97Very high94.1Very high51 Ų5163.4 Ų63.427%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-134.1149.6-169.2-59.9166.4000110.4V35 L36 I37 Y38 R70V35-L64 HydrophobicContact CG1-CD1 4.34Å; L36-L64 PolarHBondContact O-N 3.35Å; I37-L64 WeakPolarHBondContact CA-O 3.38Å; I37-L64 HydrophobicContact CD1-CB 3.89Å; I37-L64 HydrophobicContact CD1-CD1 4.38Å; Y38-L64 PolarHBondContact N-O 3.12Å; Y38-L64 VanDerWaalsContact N-O 3.13Å; L64-R70 HydrophobicContact CB-CG 4.3Å; L64-R70 HydrophobicContact CD1-CG 4.03Å
65L97.8Very high94.2Very high46 Ų4667.1 Ų67.124%0.24135%0.353CS..EExtended strand (participates in β ladder)trans-74.6139.4172.8-72.5166000109.7Y38 R40 H67 S68Y38-L65 HydrophobicContact CD2-CD2 3.87Å; Y38-L65 HydrophobicContact CE2-CD2 3.76Å; Y38-L65 HydrophobicContact CE2-CG 4.29Å; Y38-L65 CarbonylContact O-C 3.51Å; Y38-L65 VanDerWaalsContact O-CA 3.27Å; Y38-L65 WeakPolarHBondContact O-CA 3.12Å; R40-L65 VanDerWaalsContact CZ-CD1 3.46Å; L65-H67 PolarHBondContact O-N 2.68Å; L65-S68 PolarHBondContact O-N 3.43Å; L65-S68 VanDerWaalsContact O-N 3.09Å; L65-S68 PolarHBondContact O-OG 3.4Å
66L97.8Very high94.3Very high0 Ų068 Ų680%036%0.359CS..THydrogen-bonded Turntrans-53.7-42.6178.6-178.466.9000112.2I37 Y38 S68 R70 Y80 L82 N88 R91I37-L66 HydrophobicContact CG2-CB 4.08Å; I37-L66 HydrophobicContact CG2-CD1 3.73Å; Y38-L66 PolarHBondContact O-N 3.47Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.4Å; L66-R70 PolarHBondContact O-NE 3.28Å; L66-R70 PolarHBondContact O-NH2 2.88Å; L66-Y80 HydrophobicContact CD1-CD1 4.11Å; L66-Y80 HydrophobicContact CD1-CE1 3.77Å; L66-L82 HydrophobicContact CB-CD2 3.99Å; L66-L82 HydrophobicContact CD1-CD1 4.05Å; L66-L82 HydrophobicContact CD2-CD1 3.67Å; L66-L82 HydrophobicContact CD2-CD2 3.86Å; L66-L82 HydrophobicContact CD2-CG 4.4Å; L66-L82 HydrophobicContact CG-CD1 4.38Å; L66-L82 HydrophobicContact CG-CD2 4.32Å; L66-N88 HydrophobicContact CD2-CB 3.72Å; L66-N88 WeakPolarHBondContact CD2-OD1 3.37Å; L66-R91 HydrophobicContact CD1-CB 4.38Å; L66-R91 HydrophobicContact CD1-CG 3.93Å; L66-R91 HydrophobicContact CD2-CB 4.05Å; L66-R91 HydrophobicContact CD2-CG 4.24Å; L66-R91 HydrophobicContact CG-CB 4.08Å; L66-R91 HydrophobicContact CG-CG 3.71Å; L66-R91 PolarHBondContact O-NE 2.7Å
67H95.9Very high94.5Very high85 Ų8561.7 Ų61.739%0.39434%0.336SS..THydrogen-bonded Turntrans-88.38.1-176.5-61.8-53.1000114.1L65 E87 N88L65-H67 PolarHBondContact O-N 2.68Å; H67-E87 IonicContact CD2-OE1 3.23Å; H67-E87 IonicContact CE1-OE1 2.72Å; H67-E87 IonicContact NE2-OE1 2.77Å; H67-N88 PolarHBondContact NE2-OD1 3.14Å
68S95.6Very high94.9Very high37 Ų3757 Ų5726%0.25931%0.311SS..SBendtrans-80.9157.3168.673.70000111.1L65 L66 R70 R91L65-S68 PolarHBondContact O-N 3.43Å; L65-S68 VanDerWaalsContact O-N 3.09Å; L65-S68 PolarHBondContact O-OG 3.4Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.4Å; S68-R70 PolarHBondContact O-N 2.93Å; S68-R70 PolarHBondContact O-NE 3.39Å; S68-R70 WeakPolarHBondContact OG-CG 3.38Å; S68-R91 PolarHBondContact O-NH2 3.31Å
69D92.9Very high95.2Very high165 Ų16555.1 Ų55.188%0.88230%0.302SS*.  trans-64.8129.5162.7-63.5-38.7000108.2
70R95.4Very high95.5Very high22 Ų2255.2 Ų55.28%0.08330%0.302CS..  trans-137.2126-172.4-67.8175.7-73.9147.811.1108.6L64 L66 S68 R91 D95L64-R70 HydrophobicContact CB-CG 4.3Å; L64-R70 HydrophobicContact CD1-CG 4.03Å; L66-R70 PolarHBondContact O-NE 3.28Å; L66-R70 PolarHBondContact O-NH2 2.88Å; S68-R70 PolarHBondContact O-N 2.93Å; S68-R70 PolarHBondContact O-NE 3.39Å; S68-R70 WeakPolarHBondContact OG-CG 3.38Å; R70-R91 VanDerWaalsContact NH2-NH2 3.12Å; R70-D95 IonicContact CZ-OD1 3.47Å; R70-D95 IonicContact CZ-OD2 3.22Å; R70-D95 IonicContact NH1-OD2 3.81Å; R70-D95 PolarHBondContact NH1-OD2 3.44Å; R70-D95 VanDerWaalsContact NH2-CG 3.25Å; R70-D95 IonicContact NH2-OD1 2.96Å; R70-D95 PolarHBondContact NH2-OD1 3.42Å; R70-D95 IonicContact NH2-OD2 3.96Å; R70-D95 PolarHBondContact NH2-OD2 3.03Å
71D92.7Very high95.7Very high139 Ų13954.9 Ų54.974%0.74330%0.301SS*.  trans-73.5145.8176.2-64.5-49.2000110.7I73D71-I73 PolarHBondContact O-N 3.43Å
72P94.1Very high96Very high85 Ų8551.5 Ų51.555%0.55228%0.28SS*.  trans-62.1133.7175.2-19.430.4000112.2L100P72-L100 HydrophobicContact CB-CD2 4.08Å; P72-L100 HydrophobicContact CG-CD2 3.79Å
73I95.2Very high96.1Very high49 Ų4948.6 Ų48.625%0.25126%0.264SS..BIsolated β-bridgetrans-128.571.2173.1-46.4179.4000108.1V35 L62 D71 D75 V76 L100 Y101V35-I73 HydrophobicContact CG2-CD1 4.19Å; L62-I73 HydrophobicContact CD1-CD1 3.77Å; D71-I73 PolarHBondContact O-N 3.43Å; I73-D75 PolarHBondContact O-N 3.46Å; I73-D75 VanDerWaalsContact O-N 3.13Å; I73-V76 HydrophobicContact CG2-CB 3.72Å; I73-V76 HydrophobicContact CG2-CG2 3.5Å; I73-V76 VanDerWaalsContact CG2-CG2 3.5Å; I73-V76 PolarHBondContact O-N 3.38Å; I73-L100 CarbonylContact C-O 3.47Å; I73-L100 VanDerWaalsContact C-O 3.23Å; I73-L100 PolarHBondContact N-O 3.18Å; I73-Y101 HydrophobicContact CB-CD1 4.31Å; I73-Y101 HydrophobicContact CB-CE1 4.39Å
74P92.2Very high96.1Very high71 Ų7145.8 Ų45.846%0.46125%0.253SS..THydrogen-bonded Turntrans-68.8-13.6-166.128.4-36.8000114.8E102P74-E102 WeakPolarHBondContact O-CA 3.5Å; P74-E102 WeakPolarHBondContact O-CB 3.41Å; P74-E102 PolarHBondContact O-N 2.96Å; P74-E102 VanDerWaalsContact O-N 3.17Å
75D92.9Very high96.1Very high140 Ų14045.6 Ų45.675%0.74925%0.254SS*.THydrogen-bonded Turntrans-100.39.9-179.1-56-49.5000113.2I73I73-D75 PolarHBondContact O-N 3.46Å; I73-D75 VanDerWaalsContact O-N 3.13Å
76V95.9Very high96Very high29 Ų2950.2 Ų50.218%0.17627%0.274CS..SBendtrans-127.8132-177.2-177.60000110.5V35 I73 E102V35-V76 HydrophobicContact CG2-CG1 3.85Å; I73-V76 HydrophobicContact CG2-CB 3.72Å; I73-V76 HydrophobicContact CG2-CG2 3.5Å; I73-V76 VanDerWaalsContact CG2-CG2 3.5Å; I73-V76 PolarHBondContact O-N 3.38Å; V76-E102 PolarHBondContact O-N 2.93Å; V76-E102 VanDerWaalsContact O-N 3.14Å
77P96.9Very high96Very high9 Ų956.2 Ų56.26%0.05830%0.302CS..  trans-68.6145.4174.427.1-35000111.8F19 V32 W33 K34 V35 S103 F105F19-P77 HydrophobicContact CE1-CB 4.14Å; F19-P77 HydrophobicContact CE1-CG 4.36Å; F19-P77 HydrophobicContact CZ-CB 4.25Å; F19-P77 HydrophobicContact CZ-CG 3.97Å; V32-P77 HydrophobicContact CG1-CG 4.21Å; W33-P77 WeakPolarHBondContact O-CD 3.4Å; W33-P77 WeakPolarHBondContact O-CG 3.35Å; K34-P77 VanDerWaalsContact CA-O 3.3Å; K34-P77 WeakPolarHBondContact CA-O 3.34Å; K34-P77 HydrophobicContact CB-CG 3.97Å; K34-P77 WeakPolarHBondContact CB-O 3.45Å; V35-P77 PolarHBondContact N-O 3.46Å; P77-S103 WeakPolarHBondContact CB-OG 3.47Å; P77-F105 HydrophobicContact CB-CE2 4.13Å
78A97.9Very high96.1Very high0 Ų052.4 Ų52.40%029%0.285CS..EExtended strand (participates in β ladder)trans-118.8129.8177.900000112.5V35 Y80 Y101 S103 F105V35-A78 HydrophobicContact CB-CB 4.4Å; V35-A78 CarbonylContact O-C 3.53Å; V35-A78 WeakPolarHBondContact O-CA 3.49Å; A78-Y80 HydrophobicContact CB-CD2 4.17Å; A78-Y80 HydrophobicContact CB-CE2 3.71Å; A78-Y101 HydrophobicContact CB-CD1 3.78Å; A78-Y101 HydrophobicContact CB-CD2 3.52Å; A78-Y101 HydrophobicContact CB-CE1 4.25Å; A78-Y101 HydrophobicContact CB-CE2 4.04Å; A78-Y101 HydrophobicContact CB-CG 3.4Å; A78-S103 PolarHBondContact N-O 2.9Å; A78-F105 PolarHBondContact O-N 3.29Å
79I98.3Very high96.2Very high0 Ų050.9 Ų50.90%027%0.273CS..EExtended strand (participates in β ladder)trans-97.4117.9172-61.1-177.7000108.3M16 L17 F19 K34 V35 L36 I37 F105M16-I79 HydrophobicContact SD-CG2 3.94Å; L17-I79 WeakPolarHBondContact O-CD1 3.41Å; F19-I79 HydrophobicContact CD1-CD1 3.94Å; F19-I79 HydrophobicContact CD1-CG1 4.1Å; F19-I79 HydrophobicContact CE1-CD1 3.98Å; F19-I79 HydrophobicContact CE1-CG1 3.97Å; K34-I79 HydrophobicContact CD-CD1 3.84Å; K34-I79 HydrophobicContact CG-CD1 4.27Å; V35-I79 PolarHBondContact O-N 3.01Å; L36-I79 HydrophobicContact CD1-CB 4.47Å; L36-I79 HydrophobicContact CD1-CG2 4.28Å; I37-I79 PolarHBondContact N-O 3.49Å; I79-F105 HydrophobicContact CG1-CB 4.24Å
80Y98.7Very high96.5Very high1 Ų148.3 Ų48.30%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-97.5125.1175.3-75.7-116.5000108.7I37 L66 A78 L82 I92 D95 Y101 Y104 F105 L106 N107I37-Y80 HydrophobicContact CB-CD1 4.06Å; I37-Y80 HydrophobicContact CB-CD2 4.27Å; I37-Y80 HydrophobicContact CB-CE1 4.18Å; I37-Y80 HydrophobicContact CB-CE2 4.37Å; I37-Y80 HydrophobicContact CB-CG 4.1Å; I37-Y80 HydrophobicContact CG1-CD2 4.38Å; I37-Y80 HydrophobicContact CG1-CE1 4.43Å; I37-Y80 HydrophobicContact CG1-CE2 4.07Å; I37-Y80 HydrophobicContact CG2-CD1 3.86Å; I37-Y80 HydrophobicContact CG2-CE1 3.83Å; I37-Y80 HydrophobicContact CG2-CG 4.4Å; I37-Y80 CarbonylContact O-C 3.51Å; I37-Y80 VanDerWaalsContact O-CA 3.29Å; I37-Y80 WeakPolarHBondContact O-CA 3.47Å; L66-Y80 HydrophobicContact CD1-CD1 4.11Å; L66-Y80 HydrophobicContact CD1-CE1 3.77Å; A78-Y80 HydrophobicContact CB-CD2 4.17Å; A78-Y80 HydrophobicContact CB-CE2 3.71Å; Y80-L82 HydrophobicContact CD1-CD1 3.7Å; Y80-L82 HydrophobicContact CG-CD1 4.47Å; Y80-I92 HydrophobicContact CD1-CG1 4.11Å; Y80-I92 HydrophobicContact CE1-CG1 4.24Å; Y80-D95 WeakPolarHBondContact CE1-OD2 3.36Å; Y80-D95 WeakPolarHBondContact OH-CB 3.43Å; Y80-D95 PolarHBondContact OH-OD2 2.84Å; Y80-Y101 HydrophobicContact CE2-CD2 4.15Å; Y80-Y101 HydrophobicContact CE2-CE2 4.28Å; Y80-Y101 WeakPolarHBondContact OH-CD2 3.36Å; Y80-Y101 VanDerWaalsContact OH-CE2 3.23Å; Y80-Y101 WeakPolarHBondContact OH-CE2 3.37Å; Y80-Y104 HydrophobicContact CD2-CD1 4.42Å; Y80-Y104 AromaticContact CE2-CD1 3.59Å; Y80-Y104 HydrophobicContact CE2-CD1 3.59Å; Y80-Y104 HydrophobicContact CE2-CE1 4.18Å; Y80-Y104 AromaticContact CZ-CD1 3.9Å; Y80-F105 PolarHBondContact N-O 3.08Å; Y80-L106 HydrophobicContact CD1-CD2 4.3Å; Y80-L106 HydrophobicContact CD2-CD2 4.13Å; Y80-L106 HydrophobicContact CG-CD2 3.87Å; Y80-N107 WeakPolarHBondContact O-CA 3.38Å; Y80-N107 WeakPolarHBondContact O-CB 3.4Å; Y80-N107 PolarHBondContact O-N 3.03Å; Y80-N107 PolarHBondContact O-ND2 3.41Å
81F98.6Very high96.6Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-124.498.2173.8-179.8-125.7000110.3L13 M16 L36 I37 Y38 I45 I46 N107 I109 Q139 L141L13-F81 HydrophobicContact CD2-CE1 4.04Å; L13-F81 HydrophobicContact CD2-CE2 4.45Å; L13-F81 HydrophobicContact CD2-CZ 3.88Å; M16-F81 HydrophobicContact CE-CB 4.07Å; M16-F81 HydrophobicContact CE-CD1 4.04Å; M16-F81 HydrophobicContact CE-CD2 3.29Å; M16-F81 HydrophobicContact CE-CE1 4.28Å; M16-F81 HydrophobicContact CE-CE2 3.58Å; M16-F81 HydrophobicContact CE-CG 3.53Å; M16-F81 HydrophobicContact CE-CZ 4.06Å; M16-F81 HydrophobicContact SD-CB 4.03Å; M16-F81 HydrophobicContact SD-CD2 4.05Å; M16-F81 HydrophobicContact SD-CG 4.15Å; L36-F81 HydrophobicContact CD1-CB 4.46Å; I37-F81 PolarHBondContact O-N 2.95Å; Y38-F81 VanDerWaalsContact CA-O 3.31Å; Y38-F81 WeakPolarHBondContact CA-O 3.47Å; Y38-F81 WeakPolarHBondContact CB-O 3.42Å; I45-F81 HydrophobicContact CB-CE1 4.1Å; I45-F81 HydrophobicContact CB-CZ 4.45Å; I45-F81 HydrophobicContact CD1-CE1 4.26Å; I45-F81 HydrophobicContact CD1-CZ 4.1Å; I45-F81 HydrophobicContact CG2-CE1 4.08Å; I45-F81 HydrophobicContact CG2-CZ 4.09Å; I46-F81 HydrophobicContact CD1-CD1 3.64Å; I46-F81 HydrophobicContact CD1-CE1 4.1Å; I46-F81 HydrophobicContact CG1-CD1 4.07Å; I46-F81 HydrophobicContact CG1-CE1 4Å; F81-N107 VanDerWaalsContact CA-O 3.31Å; F81-N107 WeakPolarHBondContact CA-O 3.38Å; F81-N107 HydrophobicContact CD2-CB 4.39Å; F81-I109 HydrophobicContact CD1-CG1 4.5Å; F81-I109 HydrophobicContact CD2-CG1 3.94Å; F81-I109 HydrophobicContact CE1-CD1 4.44Å; F81-I109 HydrophobicContact CE1-CG1 4.12Å; F81-I109 HydrophobicContact CE2-CB 4.35Å; F81-I109 HydrophobicContact CE2-CG1 3.49Å; F81-I109 VanDerWaalsContact CE2-CG1 3.49Å; F81-I109 HydrophobicContact CG-CG1 4.44Å; F81-I109 HydrophobicContact CZ-CD1 4.36Å; F81-I109 HydrophobicContact CZ-CG1 3.6Å; F81-Q139 HydrophobicContact CE2-CB 4.42Å; F81-Q139 HydrophobicContact CE2-CG 4.37Å; F81-L141 HydrophobicContact CE2-CD1 4.29Å; F81-L141 HydrophobicContact CZ-CB 4.27Å; F81-L141 HydrophobicContact CZ-CD1 4.32Å
82L98.4Very high96.8Very high1 Ų142.4 Ų42.41%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-138.3151.3-161.2-59.8178.6000113.7D39 L66 Y80 I92 N107 F108 I109D39-L82 HydrophobicContact CB-CD2 3.89Å; L66-L82 HydrophobicContact CB-CD2 3.99Å; L66-L82 HydrophobicContact CD1-CD1 4.05Å; L66-L82 HydrophobicContact CD2-CD1 3.67Å; L66-L82 HydrophobicContact CD2-CD2 3.86Å; L66-L82 HydrophobicContact CD2-CG 4.4Å; L66-L82 HydrophobicContact CG-CD1 4.38Å; L66-L82 HydrophobicContact CG-CD2 4.32Å; Y80-L82 HydrophobicContact CD1-CD1 3.7Å; Y80-L82 HydrophobicContact CG-CD1 4.47Å; L82-I92 HydrophobicContact CD1-CD1 3.59Å; L82-I92 HydrophobicContact CD1-CG1 3.79Å; L82-N107 PolarHBondContact N-O 3.37Å; L82-F108 CarbonylContact O-C 3.55Å; L82-F108 VanDerWaalsContact O-CA 3.27Å; L82-F108 WeakPolarHBondContact O-CA 3.47Å; L82-I109 WeakPolarHBondContact O-CG1 3.41Å; L82-I109 PolarHBondContact O-N 3.44Å
83M97.1Very high97Very high18 Ų1838.6 Ų38.69%0.08920%0.202CC..  trans-72.2138.2163.8-155.476-99.500109.3D39 F41 T85 N88 I109 S110D39-M83 VanDerWaalsContact OD2-CB 3.23Å; D39-M83 WeakPolarHBondContact OD2-CB 3.28Å; D39-M83 PolarHBondContact OD2-N 2.65Å; F41-M83 HydrophobicContact CB-CB 4.39Å; F41-M83 HydrophobicContact CD1-SD 4.37Å; F41-M83 HydrophobicContact CD2-CB 4.15Å; F41-M83 HydrophobicContact CD2-CG 4.45Å; F41-M83 HydrophobicContact CG-CB 4.32Å; F41-M83 HydrophobicContact CG-CG 4.47Å; F41-M83 HydrophobicContact CG-SD 4.39Å; M83-T85 HydrophobicContact CB-CG2 4.11Å; M83-T85 HydrophobicContact CG-CG2 4Å; M83-T85 PolarHBondContact O-N 3.23Å; M83-N88 WeakPolarHBondContact O-CB 3.39Å; M83-N88 PolarHBondContact O-ND2 2.95Å; M83-I109 HydrophobicContact CB-CD1 4.32Å; M83-I109 HydrophobicContact CE-CB 3.64Å; M83-I109 HydrophobicContact CE-CG2 3.76Å; M83-I109 HydrophobicContact SD-CB 4.08Å; M83-I109 HydrophobicContact SD-CD1 4.36Å; M83-I109 HydrophobicContact SD-CG2 4.01Å; M83-S110 VanDerWaalsContact CE-CB 3.42Å; M83-S110 WeakPolarHBondContact CE-OG 3.32Å
84P96.9Very high97.1Very high14 Ų1440.9 Ų40.99%0.09121%0.212CC..  trans-79.655.7179.333.6-33.2000111.4F108 I112 K116P84-F108 HydrophobicContact CB-CD1 3.78Å; P84-F108 HydrophobicContact CB-CE1 4.33Å; P84-F108 HydrophobicContact CB-CG 4.3Å; P84-I112 HydrophobicContact CB-CB 4.13Å; P84-I112 HydrophobicContact CB-CD1 4.49Å; P84-I112 HydrophobicContact CB-CG1 4.08Å; P84-K116 PolarHBondContact O-NZ 3.11Å
85T96.4Very high97.3Very high47 Ų4737.5 Ų37.529%0.28819%0.19SC..  trans-80.4154.3172.462.70000110.4M83 E87 N88 I89M83-T85 HydrophobicContact CB-CG2 4.11Å; M83-T85 HydrophobicContact CG-CG2 4Å; M83-T85 PolarHBondContact O-N 3.23Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.32Å; T85-N88 PolarHBondContact O-N 2.86Å; T85-N88 VanDerWaalsContact O-N 3.17Å; T85-N88 WeakPolarHBondContact OG1-CB 3.42Å; T85-N88 PolarHBondContact OG1-N 2.73Å; T85-N88 PolarHBondContact OG1-ND2 3.31Å; T85-I89 VanDerWaalsContact O-CG1 3.25Å; T85-I89 WeakPolarHBondContact O-CG1 3.48Å; T85-I89 PolarHBondContact O-N 2.98Å
86E96.8Very high97.4Very high143 Ų14330.8 Ų30.867%0.66815%0.154SC*.Hα-helixtrans-56.6-45.6179.1-66.6178.9175.400111.7N88 I89 D90E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.7Å; E86-I89 PolarHBondContact O-N 3.45Å; E86-I89 VanDerWaalsContact O-N 3.11Å; E86-D90 PolarHBondContact O-N 3.39Å
87E97.2Very high97.4Very high126 Ų12637.4 Ų37.459%0.58918%0.176SC*.Hα-helixtrans-55.7-43.1176.2-168.8-169.4173.700112.9H67 T85 R91H67-E87 IonicContact CD2-OE1 3.23Å; H67-E87 IonicContact CE1-OE1 2.72Å; H67-E87 IonicContact NE2-OE1 2.77Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.32Å; E87-R91 WeakPolarHBondContact O-CB 3.11Å; E87-R91 PolarHBondContact O-N 3.45Å; E87-R91 VanDerWaalsContact O-N 3.09Å
88N98.1Very high97.3Very high5 Ų540.1 Ų40.13%0.02720%0.195CC..Hα-helixtrans-69.1-39.8178.5-73.9-5.6000111.6D39 L66 H67 M83 T85 E86 R91 I92D39-N88 PolarHBondContact OD2-ND2 3.32Å; L66-N88 HydrophobicContact CD2-CB 3.72Å; L66-N88 WeakPolarHBondContact CD2-OD1 3.37Å; H67-N88 PolarHBondContact NE2-OD1 3.14Å; M83-N88 WeakPolarHBondContact O-CB 3.39Å; M83-N88 PolarHBondContact O-ND2 2.95Å; T85-N88 PolarHBondContact O-N 2.86Å; T85-N88 VanDerWaalsContact O-N 3.17Å; T85-N88 WeakPolarHBondContact OG1-CB 3.42Å; T85-N88 PolarHBondContact OG1-N 2.73Å; T85-N88 PolarHBondContact OG1-ND2 3.31Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.7Å; N88-R91 PolarHBondContact O-N 3.21Å; N88-I92 VanDerWaalsContact O-CG1 3.25Å; N88-I92 WeakPolarHBondContact O-CG1 3.35Å; N88-I92 PolarHBondContact O-N 3.05Å
89I98.3Very high97.2Very high4 Ų443.8 Ų43.82%0.02121%0.212CC..Hα-helixtrans-63.1-44.6178-61.5-65.7000110.2T85 E86 R91 I92 C93 F108 I112 K116 D119 I120T85-I89 VanDerWaalsContact O-CG1 3.25Å; T85-I89 WeakPolarHBondContact O-CG1 3.48Å; T85-I89 PolarHBondContact O-N 2.98Å; E86-I89 PolarHBondContact O-N 3.45Å; E86-I89 VanDerWaalsContact O-N 3.11Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3Å; I89-I92 HydrophobicContact CD1-CD1 4.44Å; I89-I92 PolarHBondContact O-N 3.47Å; I89-C93 PolarHBondContact O-N 2.82Å; I89-C93 PolarHBondContact O-SG 3.49Å; I89-F108 HydrophobicContact CD1-CE1 3.76Å; I89-F108 HydrophobicContact CD1-CZ 3.97Å; I89-I112 HydrophobicContact CD1-CD1 3.65Å; I89-K116 HydrophobicContact CD1-CB 4.17Å; I89-K116 HydrophobicContact CG1-CB 4.14Å; I89-K116 HydrophobicContact CG1-CD 4.1Å; I89-K116 HydrophobicContact CG1-CG 4.17Å; I89-D119 HydrophobicContact CG2-CB 4.38Å; I89-I120 HydrophobicContact CD1-CD1 3.72Å; I89-I120 HydrophobicContact CD1-CG1 4.41Å; I89-I120 HydrophobicContact CG2-CD1 4.41Å; I89-I120 HydrophobicContact CG2-CG1 3.95Å
90D98Very high97.1Very high112 Ų11244.3 Ų44.360%0.59922%0.215SC*.Hα-helixtrans-60.4-42.2176.4-75.3-22.7000112E86 C93 Q94E86-D90 PolarHBondContact O-N 3.39Å; D90-C93 WeakPolarHBondContact O-CB 3.24Å; D90-C93 PolarHBondContact O-N 2.91Å; D90-Q94 PolarHBondContact O-N 3.18Å
91R97.9Very high97Very high36 Ų3644.3 Ų44.314%0.13622%0.215CC..Hα-helixtrans-67.1-38.2178.2-168.564.8-177.997.58112.3L66 S68 R70 E87 N88 I89 Q94 D95L66-R91 HydrophobicContact CD1-CB 4.38Å; L66-R91 HydrophobicContact CD1-CG 3.93Å; L66-R91 HydrophobicContact CD2-CB 4.05Å; L66-R91 HydrophobicContact CD2-CG 4.24Å; L66-R91 HydrophobicContact CG-CB 4.08Å; L66-R91 HydrophobicContact CG-CG 3.71Å; L66-R91 PolarHBondContact O-NE 2.7Å; S68-R91 PolarHBondContact O-NH2 3.31Å; R70-R91 VanDerWaalsContact NH2-NH2 3.12Å; E87-R91 WeakPolarHBondContact O-CB 3.11Å; E87-R91 PolarHBondContact O-N 3.45Å; E87-R91 VanDerWaalsContact O-N 3.09Å; N88-R91 PolarHBondContact O-N 3.21Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3Å; R91-Q94 VanDerWaalsContact NH1-OE1 3.13Å; R91-Q94 WeakPolarHBondContact O-CB 3.45Å; R91-Q94 PolarHBondContact O-N 3.44Å; R91-D95 IonicContact CZ-OD1 3.6Å; R91-D95 IonicContact NH1-OD1 3.61Å; R91-D95 PolarHBondContact NH1-OD1 3.25Å; R91-D95 IonicContact NH2-OD1 2.66Å; R91-D95 PolarHBondContact O-N 2.94Å
92I97.8Very high96.9Very high1 Ų149.4 Ų49.41%0.00524%0.239CC..Hα-helixtrans-61-46.4171.3-65.3163.2000110.2Y80 L82 N88 I89 Q94 D95 L96 L106 F108Y80-I92 HydrophobicContact CD1-CG1 4.11Å; Y80-I92 HydrophobicContact CE1-CG1 4.24Å; L82-I92 HydrophobicContact CD1-CD1 3.59Å; L82-I92 HydrophobicContact CD1-CG1 3.79Å; N88-I92 VanDerWaalsContact O-CG1 3.25Å; N88-I92 WeakPolarHBondContact O-CG1 3.35Å; N88-I92 PolarHBondContact O-N 3.05Å; I89-I92 HydrophobicContact CD1-CD1 4.44Å; I89-I92 PolarHBondContact O-N 3.47Å; I92-Q94 PolarHBondContact O-N 3.37Å; I92-D95 WeakPolarHBondContact O-CB 3.48Å; I92-D95 PolarHBondContact O-N 3.2Å; I92-D95 VanDerWaalsContact O-N 3.09Å; I92-L96 HydrophobicContact CG2-CD1 4.19Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 2.8Å; I92-L106 HydrophobicContact CG2-CD1 4.27Å; I92-L106 HydrophobicContact CG2-CD2 4.12Å; I92-F108 HydrophobicContact CD1-CE1 4.08Å; I92-F108 HydrophobicContact CD1-CZ 4.24Å
93C97.6Very high96.8Very high4 Ų450.1 Ų50.13%0.02724%0.244CC..Hα-helixtrans-58.3-37.3177.9-71.30000112I89 D90 R97 A123I89-C93 PolarHBondContact O-N 2.82Å; I89-C93 PolarHBondContact O-SG 3.49Å; D90-C93 WeakPolarHBondContact O-CB 3.24Å; D90-C93 PolarHBondContact O-N 2.91Å; C93-R97 WeakPolarHBondContact O-CG 3.24Å; C93-R97 PolarHBondContact O-N 3.03Å; C93-A123 HydrophobicContact CB-CB 3.71Å; C93-A123 VanDerWaalsContact SG-CB 3.5Å
94Q96.5Very high96.9Very high97 Ų9749.3 Ų49.345%0.45324%0.239SC..Hα-helixtrans-68-41.7173.8-173.1-175.612.200112.6D90 R91 I92 L96 R97 S98D90-Q94 PolarHBondContact O-N 3.18Å; R91-Q94 VanDerWaalsContact NH1-OE1 3.13Å; R91-Q94 WeakPolarHBondContact O-CB 3.45Å; R91-Q94 PolarHBondContact O-N 3.44Å; I92-Q94 PolarHBondContact O-N 3.37Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.2Å; Q94-R97 PolarHBondContact O-N 3.45Å; Q94-S98 WeakPolarHBondContact O-CB 3.44Å; Q94-S98 PolarHBondContact O-N 3.17Å; Q94-S98 PolarHBondContact O-OG 3.44Å
95D96.8Very high96.9Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-62-37.8177.1-72.2-8.9000111.8R70 Y80 R91 I92 S98 Q99 L100 Y104R70-D95 IonicContact CZ-OD1 3.47Å; R70-D95 IonicContact CZ-OD2 3.22Å; R70-D95 IonicContact NH1-OD2 3.81Å; R70-D95 PolarHBondContact NH1-OD2 3.44Å; R70-D95 VanDerWaalsContact NH2-CG 3.25Å; R70-D95 IonicContact NH2-OD1 2.96Å; R70-D95 PolarHBondContact NH2-OD1 3.42Å; R70-D95 IonicContact NH2-OD2 3.96Å; R70-D95 PolarHBondContact NH2-OD2 3.03Å; Y80-D95 WeakPolarHBondContact CE1-OD2 3.36Å; Y80-D95 WeakPolarHBondContact OH-CB 3.43Å; Y80-D95 PolarHBondContact OH-OD2 2.84Å; R91-D95 IonicContact CZ-OD1 3.6Å; R91-D95 IonicContact NH1-OD1 3.61Å; R91-D95 PolarHBondContact NH1-OD1 3.25Å; R91-D95 IonicContact NH2-OD1 2.66Å; R91-D95 PolarHBondContact O-N 2.94Å; I92-D95 WeakPolarHBondContact O-CB 3.48Å; I92-D95 PolarHBondContact O-N 3.2Å; I92-D95 VanDerWaalsContact O-N 3.09Å; D95-S98 CarbonylContact O-C 3.58Å; D95-S98 PolarHBondContact O-N 2.84Å; D95-Q99 PolarHBondContact O-N 2.94Å; D95-L100 HydrophobicContact CB-CD1 4.15Å; D95-L100 PolarHBondContact O-N 3.18Å; D95-L100 VanDerWaalsContact OD1-CD1 3.28Å; D95-L100 WeakPolarHBondContact OD1-CD1 3.44Å; D95-Y104 HydrophobicContact CB-CE1 4.21Å; D95-Y104 PolarHBondContact O-OH 3.13Å
96L96.3Very high97Very high0 Ų047.3 Ų47.30%023%0.225CC..Hα-helixtrans-67.1-42.2175.9-70.3172000112I92 Q94 S98 Q99 Y104 I120 A124 A127 A129 V133I92-L96 HydrophobicContact CG2-CD1 4.19Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 2.8Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.2Å; L96-S98 PolarHBondContact O-N 3.31Å; L96-Q99 WeakPolarHBondContact O-CG 3.37Å; L96-Q99 PolarHBondContact O-N 3.16Å; L96-Y104 HydrophobicContact CD2-CD1 3.94Å; L96-Y104 HydrophobicContact CD2-CD2 3.75Å; L96-Y104 HydrophobicContact CD2-CE1 3.99Å; L96-Y104 HydrophobicContact CD2-CE2 3.85Å; L96-Y104 HydrophobicContact CD2-CG 3.82Å; L96-I120 HydrophobicContact CD1-CG2 4.07Å; L96-A124 HydrophobicContact CD1-CB 4.18Å; L96-A127 WeakPolarHBondContact O-CB 3.16Å; L96-A129 HydrophobicContact CD2-CB 4.43Å; L96-V133 HydrophobicContact CD1-CG2 4.4Å; L96-V133 HydrophobicContact CD2-CG2 3.71Å
97R95.3Very high97.1Very high168 Ų16840.5 Ų40.563%0.63419%0.194SC*.Hα-helixtrans-63.4-33174.7-69.4175.9-150.4162.36.7112.4C93 Q94 A127C93-R97 WeakPolarHBondContact O-CG 3.24Å; C93-R97 PolarHBondContact O-N 3.03Å; Q94-R97 PolarHBondContact O-N 3.45Å; R97-A127 HydrophobicContact CG-CB 4.22Å
98S94.7Very high97.2Very high65 Ų6534.6 Ų34.646%0.45517%0.166SC..Hα-helixtrans-88-8-179.7-48.40000112.9Q94 D95 L96 L100Q94-S98 WeakPolarHBondContact O-CB 3.44Å; Q94-S98 PolarHBondContact O-N 3.17Å; Q94-S98 PolarHBondContact O-OG 3.44Å; D95-S98 CarbonylContact O-C 3.58Å; D95-S98 PolarHBondContact O-N 2.84Å; L96-S98 PolarHBondContact O-N 3.31Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 3.25Å
99Q94.9Very high97.1Very high77 Ų7734.3 Ų34.336%0.3617%0.165SC..THydrogen-bonded Turntrans45.649.2-178.4-60.8-171.4-5.100112.9D95 L96 Y101 Y104 A127D95-Q99 PolarHBondContact O-N 2.94Å; L96-Q99 WeakPolarHBondContact O-CG 3.37Å; L96-Q99 PolarHBondContact O-N 3.16Å; Q99-Y101 PolarHBondContact O-N 3.38Å; Q99-Y104 WeakPolarHBondContact CA-OH 3.35Å; Q99-A127 PolarHBondContact NE2-O 3.44Å
100L96.1Very high97Very high11 Ų1135 Ų356%0.05817%0.17CC..  trans-62-24.1-175.2-62.6-173.8000114.6P72 I73 D95 S98 Y104P72-L100 HydrophobicContact CB-CD2 4.08Å; P72-L100 HydrophobicContact CG-CD2 3.79Å; I73-L100 CarbonylContact C-O 3.47Å; I73-L100 VanDerWaalsContact C-O 3.23Å; I73-L100 PolarHBondContact N-O 3.18Å; D95-L100 HydrophobicContact CB-CD1 4.15Å; D95-L100 PolarHBondContact O-N 3.18Å; D95-L100 VanDerWaalsContact OD1-CD1 3.28Å; D95-L100 WeakPolarHBondContact OD1-CD1 3.44Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 3.25Å; L100-Y104 PolarHBondContact N-OH 3.33Å
101Y97Very high96.7Very high2 Ų232.1 Ų32.11%0.00816%0.162CC..BIsolated β-bridgetrans-136.8160.7-172.2-56.1-70.6000111.1V35 I37 I73 A78 Y80 Q99 S103 Y104V35-Y101 HydrophobicContact CB-CE1 4.24Å; V35-Y101 HydrophobicContact CG1-CE1 4.17Å; V35-Y101 HydrophobicContact CG2-CE1 4.2Å; I37-Y101 WeakPolarHBondContact CD1-OH 2.87Å; I37-Y101 HydrophobicContact CG1-CE2 4.31Å; I73-Y101 HydrophobicContact CB-CD1 4.31Å; I73-Y101 HydrophobicContact CB-CE1 4.39Å; A78-Y101 HydrophobicContact CB-CD1 3.78Å; A78-Y101 HydrophobicContact CB-CD2 3.52Å; A78-Y101 HydrophobicContact CB-CE1 4.25Å; A78-Y101 HydrophobicContact CB-CE2 4.04Å; A78-Y101 HydrophobicContact CB-CG 3.4Å; Y80-Y101 HydrophobicContact CE2-CD2 4.15Å; Y80-Y101 HydrophobicContact CE2-CE2 4.28Å; Y80-Y101 WeakPolarHBondContact OH-CD2 3.36Å; Y80-Y101 VanDerWaalsContact OH-CE2 3.23Å; Y80-Y101 WeakPolarHBondContact OH-CE2 3.37Å; Q99-Y101 PolarHBondContact O-N 3.38Å; Y101-S103 PolarHBondContact O-N 3.35Å; Y101-Y104 HydrophobicContact CD2-CD1 4.48Å; Y101-Y104 AromaticContact CD2-CE1 3.87Å; Y101-Y104 HydrophobicContact CD2-CE1 3.87Å; Y101-Y104 PolarHBondContact N-OH 2.95Å
102E96.4Very high96.6Very high107 Ų10731.3 Ų31.350%0.516%0.16SC..SBendtrans-61.6-45.5179.1-171.9-167.6165.100111.5P74 V76P74-E102 WeakPolarHBondContact O-CA 3.5Å; P74-E102 WeakPolarHBondContact O-CB 3.41Å; P74-E102 PolarHBondContact O-N 2.96Å; P74-E102 VanDerWaalsContact O-N 3.17Å; V76-E102 PolarHBondContact O-N 2.93Å; V76-E102 VanDerWaalsContact O-N 3.14Å
103S97.1Very high96.6Very high16 Ų1633.9 Ų33.911%0.11218%0.178CC..  trans-151.2152.7-178.5560000111.7P77 A78 Y101 Q132P77-S103 WeakPolarHBondContact CB-OG 3.47Å; A78-S103 PolarHBondContact N-O 2.9Å; Y101-S103 PolarHBondContact O-N 3.35Å; S103-Q132 CarbonylContact C-O 3.54Å; S103-Q132 VanDerWaalsContact CA-O 3.24Å; S103-Q132 WeakPolarHBondContact CA-O 3.26Å; S103-Q132 WeakPolarHBondContact CB-O 3.04Å
104Y98Very high96.5Very high0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-117.9119.1-172.6-59.7-103.2000109.9Y80 D95 L96 Q99 L100 Y101 Q132 T134Y80-Y104 HydrophobicContact CD2-CD1 4.42Å; Y80-Y104 AromaticContact CE2-CD1 3.59Å; Y80-Y104 HydrophobicContact CE2-CD1 3.59Å; Y80-Y104 HydrophobicContact CE2-CE1 4.18Å; Y80-Y104 AromaticContact CZ-CD1 3.9Å; D95-Y104 HydrophobicContact CB-CE1 4.21Å; D95-Y104 PolarHBondContact O-OH 3.13Å; L96-Y104 HydrophobicContact CD2-CD1 3.94Å; L96-Y104 HydrophobicContact CD2-CD2 3.75Å; L96-Y104 HydrophobicContact CD2-CE1 3.99Å; L96-Y104 HydrophobicContact CD2-CE2 3.85Å; L96-Y104 HydrophobicContact CD2-CG 3.82Å; Q99-Y104 WeakPolarHBondContact CA-OH 3.35Å; L100-Y104 PolarHBondContact N-OH 3.33Å; Y101-Y104 HydrophobicContact CD2-CD1 4.48Å; Y101-Y104 AromaticContact CD2-CE1 3.87Å; Y101-Y104 HydrophobicContact CD2-CE1 3.87Å; Y101-Y104 PolarHBondContact N-OH 2.95Å; Y104-Q132 HydrophobicContact CD2-CB 3.84Å; Y104-Q132 HydrophobicContact CE2-CB 4.02Å; Y104-Q132 PolarHBondContact N-O 2.94Å; Y104-T134 PolarHBondContact O-N 3.14Å
105F98.2Very high96.5Very high18 Ų1841.7 Ų41.78%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-107.196.9172.7-67-99.8000108.8F19 P77 A78 I79 Y80 N107 T134 K135F19-F105 HydrophobicContact CB-CD1 4.15Å; F19-F105 HydrophobicContact CB-CE1 3.8Å; F19-F105 HydrophobicContact CB-CZ 4.36Å; F19-F105 AromaticContact CD1-CD1 3.66Å; F19-F105 HydrophobicContact CD1-CD1 3.66Å; F19-F105 AromaticContact CD1-CD2 3.67Å; F19-F105 HydrophobicContact CD1-CD2 3.67Å; F19-F105 AromaticContact CD1-CE1 3.5Å; F19-F105 HydrophobicContact CD1-CE1 3.5Å; F19-F105 AromaticContact CD1-CE2 3.51Å; F19-F105 HydrophobicContact CD1-CE2 3.51Å; F19-F105 AromaticContact CD1-CG 3.75Å; F19-F105 HydrophobicContact CD1-CG 3.75Å; F19-F105 AromaticContact CD1-CZ 3.42Å; F19-F105 HydrophobicContact CD1-CZ 3.42Å; F19-F105 VanDerWaalsContact CD1-CZ 3.42Å; F19-F105 AromaticContact CE1-CD2 3.76Å; F19-F105 HydrophobicContact CE1-CD2 3.76Å; F19-F105 HydrophobicContact CE1-CE1 4.36Å; F19-F105 AromaticContact CE1-CE2 3.52Å; F19-F105 HydrophobicContact CE1-CE2 3.52Å; F19-F105 HydrophobicContact CE1-CG 4.29Å; F19-F105 AromaticContact CE1-CZ 3.85Å; F19-F105 HydrophobicContact CE1-CZ 3.85Å; F19-F105 HydrophobicContact CG-CD1 4.35Å; F19-F105 AromaticContact CG-CE1 3.95Å; F19-F105 HydrophobicContact CG-CE1 3.95Å; F19-F105 HydrophobicContact CG-CZ 4.05Å; P77-F105 HydrophobicContact CB-CE2 4.13Å; A78-F105 PolarHBondContact O-N 3.29Å; I79-F105 HydrophobicContact CG1-CB 4.24Å; Y80-F105 PolarHBondContact N-O 3.08Å; F105-N107 PolarHBondContact O-ND2 3.31Å; F105-T134 HydrophobicContact CE1-CG2 3.72Å; F105-T134 HydrophobicContact CZ-CG2 3.71Å; F105-K135 HydrophobicContact CD1-CB 3.92Å; F105-K135 HydrophobicContact CD1-CD 4.02Å; F105-K135 HydrophobicContact CD1-CG 4.16Å; F105-K135 HydrophobicContact CE1-CB 4.46Å; F105-K135 HydrophobicContact CE1-CD 4.03Å; F105-K135 HydrophobicContact CE1-CG 4.24Å
106L98.5Very high96.6Very high1 Ų144 Ų441%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-85.9114.9-175.2-53.4-176.4000110.3Y80 I92 F108 I120 V133 K135 V136 F137Y80-L106 HydrophobicContact CD1-CD2 4.3Å; Y80-L106 HydrophobicContact CD2-CD2 4.13Å; Y80-L106 HydrophobicContact CG-CD2 3.87Å; I92-L106 HydrophobicContact CG2-CD1 4.27Å; I92-L106 HydrophobicContact CG2-CD2 4.12Å; L106-F108 HydrophobicContact CB-CE2 4.27Å; L106-F108 HydrophobicContact CB-CZ 4.46Å; L106-I120 HydrophobicContact CD1-CD1 4.29Å; L106-I120 HydrophobicContact CD1-CG2 3.97Å; L106-V133 HydrophobicContact CD1-CG1 4.25Å; L106-K135 PolarHBondContact N-O 2.88Å; L106-V136 HydrophobicContact CB-CG1 4.35Å; L106-V136 HydrophobicContact CB-CG2 4.3Å; L106-V136 HydrophobicContact CD1-CG2 4.28Å; L106-V136 CarbonylContact O-C 3.58Å; L106-V136 VanDerWaalsContact O-CA 3.28Å; L106-V136 WeakPolarHBondContact O-CA 3.44Å; L106-F137 PolarHBondContact O-N 3.22Å
107N98.6Very high96.6Very high1 Ų147.1 Ų47.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-120.7113178-59.7-93.6000109.1M16 N20 Y80 F81 L82 F105 F137 Q139M16-N107 HydrophobicContact CG-CB 3.83Å; M16-N107 VanDerWaalsContact CG-CG 3.41Å; M16-N107 VanDerWaalsContact CG-OD1 3.29Å; M16-N107 WeakPolarHBondContact CG-OD1 3.4Å; M16-N107 HydrophobicContact SD-CB 4.17Å; N20-N107 PolarHBondContact ND2-OD1 3.39Å; N20-N107 PolarHBondContact OD1-OD1 3.09Å; Y80-N107 WeakPolarHBondContact O-CA 3.38Å; Y80-N107 WeakPolarHBondContact O-CB 3.4Å; Y80-N107 PolarHBondContact O-N 3.03Å; Y80-N107 PolarHBondContact O-ND2 3.41Å; F81-N107 VanDerWaalsContact CA-O 3.31Å; F81-N107 WeakPolarHBondContact CA-O 3.38Å; F81-N107 HydrophobicContact CD2-CB 4.39Å; L82-N107 PolarHBondContact N-O 3.37Å; F105-N107 PolarHBondContact O-ND2 3.31Å; N107-F137 CarbonylContact C-O 3.56Å; N107-F137 WeakPolarHBondContact CA-O 3.27Å; N107-Q139 HydrophobicContact CB-CG 3.79Å; N107-Q139 PolarHBondContact OD1-NE2 2.96Å
108F98.5Very high96.7Very high1 Ų143.5 Ų43.50%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-91.2134.2178.2-63.2-71.7000110.8L82 P84 I89 I92 L106 S110 I112 I120 V136 F137 Q139L82-F108 CarbonylContact O-C 3.55Å; L82-F108 VanDerWaalsContact O-CA 3.27Å; L82-F108 WeakPolarHBondContact O-CA 3.47Å; P84-F108 HydrophobicContact CB-CD1 3.78Å; P84-F108 HydrophobicContact CB-CE1 4.33Å; P84-F108 HydrophobicContact CB-CG 4.3Å; I89-F108 HydrophobicContact CD1-CE1 3.76Å; I89-F108 HydrophobicContact CD1-CZ 3.97Å; I92-F108 HydrophobicContact CD1-CE1 4.08Å; I92-F108 HydrophobicContact CD1-CZ 4.24Å; L106-F108 HydrophobicContact CB-CE2 4.27Å; L106-F108 HydrophobicContact CB-CZ 4.46Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 VanDerWaalsContact CB-O 3.23Å; F108-S110 WeakPolarHBondContact CB-O 3.36Å; F108-S110 PolarHBondContact O-N 3.44Å; F108-I112 HydrophobicContact CD1-CD1 4.38Å; F108-I112 HydrophobicContact CD2-CB 3.9Å; F108-I112 HydrophobicContact CD2-CD1 3.95Å; F108-I112 HydrophobicContact CD2-CG2 3.92Å; F108-I112 HydrophobicContact CE1-CD1 3.92Å; 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 4.43Å; F108-I112 HydrophobicContact CE2-CG2 4.24Å; F108-I112 HydrophobicContact CG-CB 4.16Å; F108-I112 HydrophobicContact CG-CD1 4.4Å; F108-I112 HydrophobicContact CZ-CD1 3.43Å; F108-I112 VanDerWaalsContact CZ-CD1 3.43Å; F108-I120 HydrophobicContact CE2-CD1 4.42Å; F108-I120 HydrophobicContact CZ-CD1 3.73Å; F108-V136 HydrophobicContact CD2-CG1 4.21Å; F108-V136 HydrophobicContact CE2-CG1 3.8Å; F108-F137 PolarHBondContact N-O 3.21Å; F108-Q139 WeakPolarHBondContact O-CB 3.39Å; F108-Q139 PolarHBondContact O-N 2.87Å
109I97.6Very high96.8Very high0 Ų044.3 Ų44.30%023%0.229CC..SBendtrans-61.3-39.2-179.1-67.4167.4000110.7F41 I45 F81 L82 M83 Y140 L141 N142F41-I109 HydrophobicContact CB-CD1 3.73Å; I45-I109 HydrophobicContact CD1-CD1 3.95Å; I45-I109 HydrophobicContact CD1-CG1 4.18Å; I45-I109 HydrophobicContact CD1-CG2 3.64Å; F81-I109 HydrophobicContact CD1-CG1 4.5Å; F81-I109 HydrophobicContact CD2-CG1 3.94Å; F81-I109 HydrophobicContact CE1-CD1 4.44Å; F81-I109 HydrophobicContact CE1-CG1 4.12Å; F81-I109 HydrophobicContact CE2-CB 4.35Å; F81-I109 HydrophobicContact CE2-CG1 3.49Å; F81-I109 VanDerWaalsContact CE2-CG1 3.49Å; F81-I109 HydrophobicContact CG-CG1 4.44Å; F81-I109 HydrophobicContact CZ-CD1 4.36Å; F81-I109 HydrophobicContact CZ-CG1 3.6Å; L82-I109 WeakPolarHBondContact O-CG1 3.41Å; L82-I109 PolarHBondContact O-N 3.44Å; M83-I109 HydrophobicContact CB-CD1 4.32Å; M83-I109 HydrophobicContact CE-CB 3.64Å; M83-I109 HydrophobicContact CE-CG2 3.76Å; M83-I109 HydrophobicContact SD-CB 4.08Å; M83-I109 HydrophobicContact SD-CD1 4.36Å; M83-I109 HydrophobicContact SD-CG2 4.01Å; I109-Y140 CarbonylContact O-C 3.58Å; I109-Y140 WeakPolarHBondContact O-CA 3.35Å; I109-Y140 PolarHBondContact O-N 2.71Å; I109-L141 PolarHBondContact O-N 3.33Å; I109-N142 HydrophobicContact CG2-CB 3.8Å
110S94.4Very high97Very high19 Ų1941 Ų4113%0.13321%0.214CC..SBendtrans-124.9175.5171.572.70000110.7M83 F108 I112M83-S110 VanDerWaalsContact CE-CB 3.42Å; M83-S110 WeakPolarHBondContact CE-OG 3.32Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 VanDerWaalsContact CB-O 3.23Å; F108-S110 WeakPolarHBondContact CB-O 3.36Å; F108-S110 PolarHBondContact O-N 3.44Å; S110-I112 PolarHBondContact O-N 3.02Å
111A93.5Very high97Very high51 Ų5142.9 Ų42.942%0.42123%0.231SC..PPolyproline II helixtrans-61.2125.7-179.400000112.3D138 Y140A111-D138 WeakPolarHBondContact CA-OD1 3.48Å; A111-Y140 HydrophobicContact CB-CE1 4.12Å
112I95.9Very high97Very high18 Ų1846.2 Ų46.29%0.09226%0.255CS..PPolyproline II helixtrans-78.6143.9174.5-173.6167000111.6P84 I89 F108 S110 K116 L117 I120 D138P84-I112 HydrophobicContact CB-CB 4.13Å; P84-I112 HydrophobicContact CB-CD1 4.49Å; P84-I112 HydrophobicContact CB-CG1 4.08Å; I89-I112 HydrophobicContact CD1-CD1 3.65Å; F108-I112 HydrophobicContact CD1-CD1 4.38Å; F108-I112 HydrophobicContact CD2-CB 3.9Å; F108-I112 HydrophobicContact CD2-CD1 3.95Å; F108-I112 HydrophobicContact CD2-CG2 3.92Å; F108-I112 HydrophobicContact CE1-CD1 3.92Å; 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 4.43Å; F108-I112 HydrophobicContact CE2-CG2 4.24Å; F108-I112 HydrophobicContact CG-CB 4.16Å; F108-I112 HydrophobicContact CG-CD1 4.4Å; F108-I112 HydrophobicContact CZ-CD1 3.43Å; F108-I112 VanDerWaalsContact CZ-CD1 3.43Å; S110-I112 PolarHBondContact O-N 3.02Å; I112-K116 HydrophobicContact CD1-CB 3.81Å; I112-K116 HydrophobicContact CG1-CB 3.73Å; I112-L117 HydrophobicContact CD1-CD2 4.21Å; I112-L117 HydrophobicContact CD1-CG 4.03Å; I112-L117 HydrophobicContact CG1-CG 4.16Å; I112-L117 HydrophobicContact CG2-CD1 3.69Å; I112-L117 HydrophobicContact CG2-CD2 3.92Å; I112-L117 HydrophobicContact CG2-CG 3.62Å; I112-I120 HydrophobicContact CD1-CD1 4.1Å; I112-D138 WeakPolarHBondContact CG2-OD1 3.47Å; I112-D138 PolarHBondContact N-OD1 3.37Å; I112-D138 VanDerWaalsContact N-OD1 3.09Å
113S96.1Very high97.1Very high55 Ų5541.5 Ų41.539%0.38523%0.234SC..PPolyproline II helixtrans-75.3153.2174.674.80000111.8S115 K116 L117S113-S115 VanDerWaalsContact C-N 3.29Å; S113-S115 PolarHBondContact O-N 3.44Å; S113-K116 PolarHBondContact O-N 3.4Å; S113-K116 WeakPolarHBondContact OG-CG 3.39Å; S113-K116 PolarHBondContact OG-N 3.11Å; S113-L117 PolarHBondContact O-N 2.92Å; S113-L117 VanDerWaalsContact O-N 3.13Å
114R95.9Very high97Very high194 Ų19441 Ų4173%0.73223%0.231SC*.Hα-helixtrans-58-40.4177.7-177.9173.4176.6162.94.3113.1K116 L117 E118R114-K116 PolarHBondContact O-N 3.37Å; R114-L117 WeakPolarHBondContact O-CB 3.46Å; R114-L117 PolarHBondContact O-N 2.97Å; R114-E118 HydrophobicContact CG-CG 4.46Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 3.72Å; R114-E118 IonicContact NE-OE1 2.87Å; R114-E118 PolarHBondContact NE-OE1 2.85Å; R114-E118 IonicContact NH2-OE1 3.69Å; R114-E118 WeakPolarHBondContact O-CG 3.45Å; R114-E118 PolarHBondContact O-N 3.45Å
115S97.5Very high97Very high72 Ų7246.8 Ų46.850%0.50326%0.261SS..Hα-helixtrans-58.1-49.1177.2-170.20000111.4S113 L117 E118 D119S113-S115 VanDerWaalsContact C-N 3.29Å; S113-S115 PolarHBondContact O-N 3.44Å; S115-L117 VanDerWaalsContact C-N 3.28Å; S115-L117 PolarHBondContact O-N 2.7Å; S115-E118 WeakPolarHBondContact O-CB 3.27Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-D119 VanDerWaalsContact O-CG 3.28Å; S115-D119 PolarHBondContact O-N 2.91Å
116K97.7Very high96.9Very high48 Ų4850.2 Ų50.221%0.20929%0.292CS..Hα-helixtrans-64.6-33.1-179.5-71.1173175.6172.50112.4P84 I89 I112 S113 R114 D119 I120P84-K116 PolarHBondContact O-NZ 3.11Å; I89-K116 HydrophobicContact CD1-CB 4.17Å; I89-K116 HydrophobicContact CG1-CB 4.14Å; I89-K116 HydrophobicContact CG1-CD 4.1Å; I89-K116 HydrophobicContact CG1-CG 4.17Å; I112-K116 HydrophobicContact CD1-CB 3.81Å; I112-K116 HydrophobicContact CG1-CB 3.73Å; S113-K116 PolarHBondContact O-N 3.4Å; S113-K116 WeakPolarHBondContact OG-CG 3.39Å; S113-K116 PolarHBondContact OG-N 3.11Å; R114-K116 PolarHBondContact O-N 3.37Å; K116-D119 PolarHBondContact O-N 3.21Å; K116-I120 WeakPolarHBondContact O-CG1 3.29Å; K116-I120 PolarHBondContact O-N 3.02Å
117L97Very high96.8Very high66 Ų6651 Ų5135%0.34630%0.299SS..Hα-helixtrans-65.5-42.5171.4-81.8167.7000112.2I112 S113 R114 S115 D119 I120 A121 V136I112-L117 HydrophobicContact CD1-CD2 4.21Å; I112-L117 HydrophobicContact CD1-CG 4.03Å; I112-L117 HydrophobicContact CG1-CG 4.16Å; I112-L117 HydrophobicContact CG2-CD1 3.69Å; I112-L117 HydrophobicContact CG2-CD2 3.92Å; I112-L117 HydrophobicContact CG2-CG 3.62Å; S113-L117 PolarHBondContact O-N 2.92Å; S113-L117 VanDerWaalsContact O-N 3.13Å; R114-L117 WeakPolarHBondContact O-CB 3.46Å; R114-L117 PolarHBondContact O-N 2.97Å; S115-L117 VanDerWaalsContact C-N 3.28Å; S115-L117 PolarHBondContact O-N 2.7Å; L117-D119 VanDerWaalsContact C-N 3.29Å; L117-D119 PolarHBondContact O-N 3.25Å; L117-I120 PolarHBondContact O-N 3.24Å; L117-A121 WeakPolarHBondContact O-CB 3.19Å; L117-A121 PolarHBondContact O-N 3.32Å; L117-V136 HydrophobicContact CD2-CG1 3.86Å
118E97.4Very high96.6Very high92 Ų9257.4 Ų57.443%0.4333%0.334SS..Hα-helixtrans-64-35177.2-71.9170.8-177.200111.4R114 S115 A121 S122R114-E118 HydrophobicContact CG-CG 4.46Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 3.72Å; R114-E118 IonicContact NE-OE1 2.87Å; R114-E118 PolarHBondContact NE-OE1 2.85Å; R114-E118 IonicContact NH2-OE1 3.69Å; R114-E118 WeakPolarHBondContact O-CG 3.45Å; R114-E118 PolarHBondContact O-N 3.45Å; S115-E118 WeakPolarHBondContact O-CB 3.27Å; S115-E118 PolarHBondContact O-N 2.98Å; E118-A121 PolarHBondContact O-N 3.5Å; E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.28Å; E118-S122 PolarHBondContact O-OG 3.3Å
119D97.3Very high96.4Very high81 Ų8157.4 Ų57.443%0.43333%0.334SS..Hα-helixtrans-63.8-48.5174.1-61.7-35000111.9I89 S115 K116 L117 A121 S122 A123I89-D119 HydrophobicContact CG2-CB 4.38Å; S115-D119 VanDerWaalsContact O-CG 3.28Å; S115-D119 PolarHBondContact O-N 2.91Å; K116-D119 PolarHBondContact O-N 3.21Å; L117-D119 VanDerWaalsContact C-N 3.29Å; L117-D119 PolarHBondContact O-N 3.25Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.08Å; D119-S122 PolarHBondContact O-N 3.39Å; D119-A123 PolarHBondContact O-N 2.72Å
120I97.5Very high96.3Very high9 Ų961 Ų615%0.04636%0.356CS..Hα-helixtrans-60.7-45175.9-66.5170.1000110.6I89 L96 L106 F108 I112 K116 L117 S122 A123 A124I89-I120 HydrophobicContact CD1-CD1 3.72Å; I89-I120 HydrophobicContact CD1-CG1 4.41Å; I89-I120 HydrophobicContact CG2-CD1 4.41Å; I89-I120 HydrophobicContact CG2-CG1 3.95Å; L96-I120 HydrophobicContact CD1-CG2 4.07Å; L106-I120 HydrophobicContact CD1-CD1 4.29Å; L106-I120 HydrophobicContact CD1-CG2 3.97Å; F108-I120 HydrophobicContact CE2-CD1 4.42Å; F108-I120 HydrophobicContact CZ-CD1 3.73Å; I112-I120 HydrophobicContact CD1-CD1 4.1Å; K116-I120 WeakPolarHBondContact O-CG1 3.29Å; K116-I120 PolarHBondContact O-N 3.02Å; L117-I120 PolarHBondContact O-N 3.24Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.21Å; I120-A123 PolarHBondContact O-N 2.8Å; I120-A124 WeakPolarHBondContact O-CB 3.4Å; I120-A124 PolarHBondContact O-N 2.74Å
121A97.1Very high96.4Very high49 Ų4965.4 Ų65.441%0.40539%0.386SS..Hα-helixtrans-61.6-42.9179.900000111.6L117 E118 D119 A124 L125L117-A121 WeakPolarHBondContact O-CB 3.19Å; L117-A121 PolarHBondContact O-N 3.32Å; E118-A121 PolarHBondContact O-N 3.5Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.08Å; A121-A124 PolarHBondContact O-N 3.11Å; A121-L125 WeakPolarHBondContact O-CB 3.17Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 2.92Å
122S97.5Very high96.5Very high73 Ų7364.7 Ų64.751%0.5137%0.374SS..Hα-helixtrans-63.7-42.7176.9-60.10000111.6E118 D119 I120 L125 A126E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.28Å; E118-S122 PolarHBondContact O-OG 3.3Å; D119-S122 PolarHBondContact O-N 3.39Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.21Å; S122-L125 PolarHBondContact O-N 3.15Å; S122-A126 WeakPolarHBondContact O-CB 3.19Å; S122-A126 PolarHBondContact O-N 2.74Å
123A96.9Very high96.5Very high8 Ų865.5 Ų65.57%0.06638%0.38CS..Hα-helixtrans-64.7-42.6175.800000112.4C93 D119 I120 L125 A126 A127C93-A123 HydrophobicContact CB-CB 3.71Å; C93-A123 VanDerWaalsContact SG-CB 3.5Å; D119-A123 PolarHBondContact O-N 2.72Å; I120-A123 PolarHBondContact O-N 2.8Å; A123-L125 PolarHBondContact O-N 2.97Å; A123-A126 PolarHBondContact O-N 3.14Å; A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.02Å
124A96.9Very high96.5Very high5 Ų566.4 Ų66.44%0.04138%0.383CS..Hα-helixtrans-63.2-4017700000112.2L96 I120 A121 A127 N128 A129 V130 V133L96-A124 HydrophobicContact CD1-CB 4.18Å; I120-A124 WeakPolarHBondContact O-CB 3.4Å; I120-A124 PolarHBondContact O-N 2.74Å; A121-A124 PolarHBondContact O-N 3.11Å; A124-A127 PolarHBondContact O-N 3.27Å; A124-N128 PolarHBondContact O-N 3.47Å; A124-A129 PolarHBondContact O-N 2.71Å; A124-V130 HydrophobicContact CB-CG2 4.23Å; A124-V133 HydrophobicContact CB-CG2 4.3Å
125L97.3Very high96.5Very high122 Ų12260.1 Ų60.164%0.63936%0.361SS*.Hα-helixtrans-63.1-49.1174.5-78.1164.9000111.5A121 S122 A123 A127 N128 V130A121-L125 WeakPolarHBondContact O-CB 3.17Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 2.92Å; S122-L125 PolarHBondContact O-N 3.15Å; A123-L125 PolarHBondContact O-N 2.97Å; L125-A127 VanDerWaalsContact C-N 3.27Å; L125-A127 PolarHBondContact O-N 3.25Å; L125-N128 PolarHBondContact O-N 3.05Å; L125-N128 VanDerWaalsContact O-N 3.16Å; L125-V130 HydrophobicContact CB-CG2 4.43Å; L125-V130 HydrophobicContact CD2-CG2 3.68Å; L125-V130 HydrophobicContact CG-CG2 3.9Å
126A96.7Very high96.5Very high89 Ų8959.7 Ų59.774%0.73636%0.355SS*.Hα-helixtrans-63.1-33.6179.400000112.8S122 A123 N128S122-A126 WeakPolarHBondContact O-CB 3.19Å; S122-A126 PolarHBondContact O-N 2.74Å; A123-A126 PolarHBondContact O-N 3.14Å; A126-N128 VanDerWaalsContact C-N 3.33Å
127A95.2Very high96.4Very high18 Ų1861.1 Ų61.115%0.14936%0.362CS..THydrogen-bonded Turntrans-84.3-1.2178.200000114.3L96 R97 Q99 A123 A124 L125 A129L96-A127 WeakPolarHBondContact O-CB 3.16Å; R97-A127 HydrophobicContact CG-CB 4.22Å; Q99-A127 PolarHBondContact NE2-O 3.44Å; A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.02Å; A124-A127 PolarHBondContact O-N 3.27Å; L125-A127 VanDerWaalsContact C-N 3.27Å; L125-A127 PolarHBondContact O-N 3.25Å; A127-A129 HydrophobicContact CB-CB 4.07Å; A127-A129 PolarHBondContact O-N 2.98Å
128N95.1Very high96.3Very high136 Ų13660.6 Ų60.673%0.72736%0.359SS*.THydrogen-bonded Turntrans50.635.8-169.9-164.241.4000113.1A124 L125 A126A124-N128 PolarHBondContact O-N 3.47Å; L125-N128 PolarHBondContact O-N 3.05Å; L125-N128 VanDerWaalsContact O-N 3.16Å; A126-N128 VanDerWaalsContact C-N 3.33Å
129A94.9Very high96.3Very high0 Ų057.6 Ų57.60%035%0.345CS..  trans-110.211.7-175.400000112.7L96 A124 A127 S131 Q132 V133L96-A129 HydrophobicContact CD2-CB 4.43Å; A124-A129 PolarHBondContact O-N 2.71Å; A127-A129 HydrophobicContact CB-CB 4.07Å; A127-A129 PolarHBondContact O-N 2.98Å; A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 3Å; A129-Q132 WeakPolarHBondContact O-CB 3.41Å; A129-Q132 PolarHBondContact O-N 3.33Å; A129-V133 PolarHBondContact O-N 2.96Å
130V95.1Very high96.2Very high77 Ų7755.7 Ų55.747%0.46733%0.332SS..THydrogen-bonded Turntrans-56.1-40.9-177-179.40000112.1A124 L125 Q132 V133A124-V130 HydrophobicContact CB-CG2 4.23Å; L125-V130 HydrophobicContact CB-CG2 4.43Å; L125-V130 HydrophobicContact CD2-CG2 3.68Å; L125-V130 HydrophobicContact CG-CG2 3.9Å; V130-Q132 PolarHBondContact O-N 3.14Å; V130-V133 PolarHBondContact O-N 3.44Å
131S95Very high96.1Very high111 Ų11155.3 Ų55.378%0.77633%0.33SS*.THydrogen-bonded Turntrans-70.5-17.4178.155.70000113.8A129A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 3Å
132Q95.9Very high96.1Very high36 Ų3653.8 Ų53.817%0.16832%0.315CS..THydrogen-bonded Turntrans-82.5-28.3178.1-58176.17.700111.1S103 Y104 A129 V130 T134S103-Q132 CarbonylContact C-O 3.54Å; S103-Q132 VanDerWaalsContact CA-O 3.24Å; S103-Q132 WeakPolarHBondContact CA-O 3.26Å; S103-Q132 WeakPolarHBondContact CB-O 3.04Å; Y104-Q132 HydrophobicContact CD2-CB 3.84Å; Y104-Q132 HydrophobicContact CE2-CB 4.02Å; Y104-Q132 PolarHBondContact N-O 2.94Å; A129-Q132 WeakPolarHBondContact O-CB 3.41Å; A129-Q132 PolarHBondContact O-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.14Å; Q132-T134 PolarHBondContact O-N 3.35Å; Q132-T134 PolarHBondContact O-OG1 3.4Å
133V97.1Very high96.1Very high35 Ų3550.3 Ų50.321%0.21229%0.291CS..EExtended strand (participates in β ladder)trans-75.597.4174.9-175.70000109.7L96 L106 A124 A129 V130 V136L96-V133 HydrophobicContact CD1-CG2 4.4Å; L96-V133 HydrophobicContact CD2-CG2 3.71Å; L106-V133 HydrophobicContact CD1-CG1 4.25Å; A124-V133 HydrophobicContact CB-CG2 4.3Å; A129-V133 PolarHBondContact O-N 2.96Å; V130-V133 PolarHBondContact O-N 3.44Å; V133-V136 HydrophobicContact CG1-CG2 4Å
134T96.4Very high96.2Very high73 Ų7350.1 Ų50.145%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-86.8-40-168.8-56.90000112.5Y104 F105 Q132Y104-T134 PolarHBondContact O-N 3.14Å; F105-T134 HydrophobicContact CE1-CG2 3.72Å; F105-T134 HydrophobicContact CZ-CG2 3.71Å; Q132-T134 PolarHBondContact O-N 3.35Å; Q132-T134 PolarHBondContact O-OG1 3.4Å
135K95.4Very high96.2Very high63 Ų6349.9 Ų49.927%0.27429%0.287SS..EExtended strand (participates in β ladder)trans-147144.1-177.1-74.7-176.8-177.8-175.70110.8F19 F105 L106 F137F19-K135 PolarHBondContact O-NZ 3.22Å; F105-K135 HydrophobicContact CD1-CB 3.92Å; F105-K135 HydrophobicContact CD1-CD 4.02Å; F105-K135 HydrophobicContact CD1-CG 4.16Å; F105-K135 HydrophobicContact CE1-CB 4.46Å; F105-K135 HydrophobicContact CE1-CD 4.03Å; F105-K135 HydrophobicContact CE1-CG 4.24Å; L106-K135 PolarHBondContact N-O 2.88Å; K135-F137 HydrophobicContact CB-CD2 3.94Å; K135-F137 HydrophobicContact CB-CE2 3.8Å; K135-F137 HydrophobicContact CD-CD2 4.5Å; K135-F137 HydrophobicContact CD-CE2 3.73Å; K135-F137 HydrophobicContact CG-CE2 3.93Å
136V96.9Very high96.1Very high63 Ų6344.1 Ų44.138%0.38226%0.257SS..EExtended strand (participates in β ladder)trans-129.7123.4170.4-1720000108.3L106 F108 L117 V133L106-V136 HydrophobicContact CB-CG1 4.35Å; L106-V136 HydrophobicContact CB-CG2 4.3Å; L106-V136 HydrophobicContact CD1-CG2 4.28Å; L106-V136 CarbonylContact O-C 3.58Å; L106-V136 VanDerWaalsContact O-CA 3.28Å; L106-V136 WeakPolarHBondContact O-CA 3.44Å; F108-V136 HydrophobicContact CD2-CG1 4.21Å; F108-V136 HydrophobicContact CE2-CG1 3.8Å; L117-V136 HydrophobicContact CD2-CG1 3.86Å; V133-V136 HydrophobicContact CG1-CG2 4Å
137F95.9Very high96.1Very high77 Ų7740 Ų4034%0.33822%0.222SC..EExtended strand (participates in β ladder)trans-136.5139.3-176.4-81.9-103.3000112.3N20 L106 N107 F108 K135N20-F137 HydrophobicContact CB-CD1 4.44Å; N20-F137 HydrophobicContact CB-CD2 4.32Å; N20-F137 HydrophobicContact CB-CE1 4.16Å; N20-F137 HydrophobicContact CB-CE2 4.07Å; N20-F137 HydrophobicContact CB-CZ 3.97Å; L106-F137 PolarHBondContact O-N 3.22Å; N107-F137 CarbonylContact C-O 3.56Å; N107-F137 WeakPolarHBondContact CA-O 3.27Å; F108-F137 PolarHBondContact N-O 3.21Å; K135-F137 HydrophobicContact CB-CD2 3.94Å; K135-F137 HydrophobicContact CB-CE2 3.8Å; K135-F137 HydrophobicContact CD-CD2 4.5Å; K135-F137 HydrophobicContact CD-CE2 3.73Å; K135-F137 HydrophobicContact CG-CE2 3.93Å
138D95.6Very high96Very high56 Ų5642.8 Ų42.830%0.29923%0.234SC..EExtended strand (participates in β ladder)trans-86.3116.5160.6-61.7-36.1000108.8A111 I112 Y140A111-D138 WeakPolarHBondContact CA-OD1 3.48Å; I112-D138 WeakPolarHBondContact CG2-OD1 3.47Å; I112-D138 PolarHBondContact N-OD1 3.37Å; I112-D138 VanDerWaalsContact N-OD1 3.09Å; D138-Y140 HydrophobicContact CB-CD2 4.24Å; D138-Y140 HydrophobicContact CB-CE2 3.71Å
139Q95.6Very high96Very high28 Ų2838.1 Ų38.113%0.13121%0.21CC..  trans-85.4-24.9-176-64.7-57.2-48.800113.5M16 N20 F81 N107 F108 L141M16-Q139 HydrophobicContact CG-CG 4.25Å; N20-Q139 PolarHBondContact ND2-NE2 3.42Å; F81-Q139 HydrophobicContact CE2-CB 4.42Å; F81-Q139 HydrophobicContact CE2-CG 4.37Å; N107-Q139 HydrophobicContact CB-CG 3.79Å; N107-Q139 PolarHBondContact OD1-NE2 2.96Å; F108-Q139 WeakPolarHBondContact O-CB 3.39Å; F108-Q139 PolarHBondContact O-N 2.87Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; Q139-L141 HydrophobicContact CB-CB 4.42Å; Q139-L141 HydrophobicContact CB-CD1 3.87Å; Q139-L141 HydrophobicContact CB-CG 3.86Å; Q139-L141 PolarHBondContact O-N 2.97Å
140Y95.5Very high96.1Very high42 Ų4238.1 Ų38.117%0.16521%0.21CC..  trans54.845.4-174.1-59.1-82.2000113.2I109 A111 D138 F188 C189 V192 T193 L230I109-Y140 CarbonylContact O-C 3.58Å; I109-Y140 WeakPolarHBondContact O-CA 3.35Å; I109-Y140 PolarHBondContact O-N 2.71Å; A111-Y140 HydrophobicContact CB-CE1 4.12Å; D138-Y140 HydrophobicContact CB-CD2 4.24Å; D138-Y140 HydrophobicContact CB-CE2 3.71Å; Y140-F188 HydrophobicContact CD1-CD1 4.36Å; Y140-F188 HydrophobicContact CD1-CE1 4.21Å; Y140-F188 HydrophobicContact CE1-CD1 4.46Å; Y140-F188 AromaticContact CE1-CE1 3.99Å; Y140-F188 HydrophobicContact CE1-CE1 3.99Å; Y140-C189 CarbonylContact O-C 3.46Å; Y140-C189 VanDerWaalsContact O-CB 3.32Å; Y140-C189 WeakPolarHBondContact O-CB 3.25Å; Y140-C189 VanDerWaalsContact O-O 3.11Å; Y140-V192 HydrophobicContact CD2-CG1 4.06Å; Y140-V192 HydrophobicContact CG-CB 4.39Å; Y140-V192 HydrophobicContact CG-CG1 3.92Å; Y140-T193 PolarHBondContact O-OG1 2.8Å; Y140-L230 HydrophobicContact CD1-CD1 4.4Å; Y140-L230 HydrophobicContact CD2-CD1 4.31Å; Y140-L230 HydrophobicContact CE1-CD1 3.83Å; Y140-L230 HydrophobicContact CE2-CD1 3.71Å; Y140-L230 HydrophobicContact CE2-CD2 4.03Å; Y140-L230 VanDerWaalsContact CZ-CD1 3.45Å
141L96.8Very high96.3Very high0 Ų034.4 Ų34.40%019%0.187CC..  trans-112.226.2-178.7-60.8176000112.6Q9 A12 L13 I45 F81 I109 Q139 F143 T193Q9-L141 HydrophobicContact CG-CD2 4.08Å; A12-L141 HydrophobicContact CB-CD1 4.22Å; A12-L141 HydrophobicContact CB-CD2 3.74Å; L13-L141 HydrophobicContact CD2-CD1 3.53Å; L13-L141 HydrophobicContact CG-CD1 4.02Å; I45-L141 WeakPolarHBondContact CD1-O 3.43Å; F81-L141 HydrophobicContact CE2-CD1 4.29Å; F81-L141 HydrophobicContact CZ-CB 4.27Å; F81-L141 HydrophobicContact CZ-CD1 4.32Å; I109-L141 PolarHBondContact O-N 3.33Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; Q139-L141 HydrophobicContact CB-CB 4.42Å; Q139-L141 HydrophobicContact CB-CD1 3.87Å; Q139-L141 HydrophobicContact CB-CG 3.86Å; Q139-L141 PolarHBondContact O-N 2.97Å; L141-F143 PolarHBondContact O-N 3.48Å; L141-T193 HydrophobicContact CD2-CG2 4.23Å
142N96.8Very high96.4Very high17 Ų1729.4 Ų29.49%0.09115%0.152CC..  trans-75.361.7-178.2-163.635000113.2I109 S186 C189I109-N142 HydrophobicContact CG2-CB 3.8Å; N142-S186 PolarHBondContact ND2-OG 2.99Å; N142-S186 WeakPolarHBondContact O-CA 3.26Å; N142-S186 WeakPolarHBondContact O-CB 3.42Å; N142-C189 HydrophobicContact CB-CB 4.07Å
143F97.8Very high96.4Very high1 Ų127.8 Ų27.80%0.00414%0.144CC..SBendtrans-166.3163173.461.1-81.5000108.7V5 Q9 L141 T145 F151 I152 C189 F190 T193V5-F143 HydrophobicContact CG2-CE2 4.28Å; Q9-F143 HydrophobicContact CB-CE2 4.23Å; Q9-F143 HydrophobicContact CB-CZ 4.28Å; Q9-F143 HydrophobicContact CG-CE2 4.04Å; Q9-F143 HydrophobicContact CG-CZ 4Å; Q9-F143 PolarHBondContact NE2-O 2.93Å; L141-F143 PolarHBondContact O-N 3.48Å; F143-T145 HydrophobicContact CD2-CG2 4.08Å; F143-T145 HydrophobicContact CE2-CG2 3.84Å; F143-F151 HydrophobicContact CB-CD2 4.36Å; F143-F151 HydrophobicContact CD2-CB 4.22Å; F143-I152 CarbonylContact C-O 3.5Å; F143-I152 WeakPolarHBondContact CA-O 3.49Å; F143-C189 HydrophobicContact CD1-CB 4.36Å; F143-F190 HydrophobicContact CD1-CB 4.02Å; F143-F190 HydrophobicContact CD2-CD2 4.07Å; F143-F190 HydrophobicContact CE1-CB 4.22Å; F143-F190 HydrophobicContact CE2-CD2 4.05Å; F143-F190 HydrophobicContact CG-CB 4.29Å; F143-F190 HydrophobicContact CG-CD2 4.42Å; F143-F190 HydrophobicContact CZ-CD2 4.41Å; F143-T193 HydrophobicContact CE1-CG2 4.44Å; F143-T193 HydrophobicContact CZ-CG2 3.84Å
144I97.8Very high95.8Very high3 Ų326.9 Ų26.92%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-122126.4-179.6-56166.7000108.5D44 I45 P48 L146 F151 I152 H155 L279D44-I144 HydrophobicContact CB-CD1 3.8Å; I45-I144 HydrophobicContact CG1-CG1 3.91Å; P48-I144 HydrophobicContact CG-CG2 3.87Å; I144-L146 HydrophobicContact CG2-CD2 3.96Å; I144-F151 CarbonylContact O-C 3.36Å; I144-F151 WeakPolarHBondContact O-CA 3.23Å; I144-I152 HydrophobicContact CB-CD1 4.34Å; I144-I152 HydrophobicContact CB-CG1 3.75Å; I144-I152 HydrophobicContact CD1-CD1 4.21Å; I144-I152 HydrophobicContact CD1-CG1 4.32Å; I144-I152 HydrophobicContact CG1-CG1 4.47Å; I144-I152 HydrophobicContact CG2-CG1 4.43Å; I144-I152 PolarHBondContact N-O 3.32Å; I144-I152 PolarHBondContact O-N 3.37Å; I144-H155 HydrophobicContact CD1-CB 3.87Å; I144-L279 HydrophobicContact CD1-CD2 4.08Å; I144-L279 HydrophobicContact CG2-CD2 4.11Å
145T96.9Very high95.3Very high0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-96.2122.7171.849.90000110.8V5 Q9 L49 F143 M150 F151V5-T145 HydrophobicContact CG1-CG2 3.92Å; V5-T145 HydrophobicContact CG2-CG2 4.21Å; Q9-T145 PolarHBondContact OE1-OG1 3.16Å; L49-T145 WeakPolarHBondContact CD2-OG1 3.46Å; F143-T145 HydrophobicContact CD2-CG2 4.08Å; F143-T145 HydrophobicContact CE2-CG2 3.84Å; T145-M150 WeakPolarHBondContact CA-O 3.39Å; T145-F151 HydrophobicContact CG2-CB 4.01Å
146L95.8Very high95Very high2 Ų225.1 Ų25.11%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-99.3-33179-61.4178.2000111.3R6 P48 I144 M150 I152 L279 N280 L616R6-L146 PolarHBondContact NH1-O 2.91Å; P48-L146 HydrophobicContact CB-CD2 4.22Å; P48-L146 HydrophobicContact CG-CD2 4.1Å; I144-L146 HydrophobicContact CG2-CD2 3.96Å; L146-M150 PolarHBondContact N-O 3.39Å; L146-I152 HydrophobicContact CD1-CD1 4.23Å; L146-I152 HydrophobicContact CD1-CG2 4.25Å; L146-L279 HydrophobicContact CD2-CD2 4.15Å; L146-N280 PolarHBondContact O-ND2 3.45Å; L146-L616 HydrophobicContact CD1-CD2 3.63Å
147E95.6Very high94.7Very high1 Ų125.8 Ų25.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-129.7169.9176.9-57.5-66.5173.500110.4D149 M150 Q268 K320 Y594E147-D149 PolarHBondContact O-N 3.06Å; E147-M150 HydrophobicContact CB-CB 3.69Å; E147-M150 HydrophobicContact CG-CB 4.14Å; E147-M150 HydrophobicContact CG-SD 4.44Å; E147-M150 PolarHBondContact O-N 3.33Å; E147-Q268 PolarHBondContact OE1-NE2 2.71Å; E147-K320 IonicContact OE1-NZ 3.15Å; E147-K320 IonicContact OE2-NZ 2.92Å; E147-K320 PolarHBondContact OE2-NZ 3.38Å; E147-Y594 HydrophobicContact CB-CE2 4.46Å; E147-Y594 VanDerWaalsContact CB-OH 3.31Å; E147-Y594 WeakPolarHBondContact CB-OH 3.47Å; E147-Y594 HydrophobicContact CG-CE1 3.94Å
148D94.7Very high94.4Very high77 Ų7723.6 Ų23.641%0.41212%0.119SC..THydrogen-bonded Turntrans-60.4-26.8179.1-84.7-32.6000113.7S4 V5S4-D148 WeakPolarHBondContact CB-O 3.4Å; S4-D148 WeakPolarHBondContact CB-OD1 3.4Å; S4-D148 PolarHBondContact OG-OD1 2.98Å; V5-D148 WeakPolarHBondContact CG1-O 3.34Å; V5-D148 PolarHBondContact N-O 2.86Å
149D95.3Very high94.1Very high38 Ų3825.9 Ų25.920%0.20313%0.127CC..THydrogen-bonded Turntrans-128.324.7-176.457.9-16.1000112.2E147 Y594 V609 V610 Y611E147-D149 PolarHBondContact O-N 3.06Å; D149-Y594 VanDerWaalsContact OD1-CE2 3.29Å; D149-Y594 WeakPolarHBondContact OD1-CE2 3.41Å; D149-Y594 PolarHBondContact OD1-OH 2.66Å; D149-V609 WeakPolarHBondContact CB-O 3.43Å; D149-V610 HydrophobicContact CB-CG2 4.5Å; D149-V610 CarbonylContact O-C 3.54Å; D149-V610 WeakPolarHBondContact O-CA 3.28Å; D149-Y611 PolarHBondContact O-N 3.28Å
150M96.9Very high94Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-135.8137.1175.7-171.5178.4175.700112.9T145 L146 E147 I152 Y591 Y594 Y611 L616T145-M150 WeakPolarHBondContact CA-O 3.39Å; L146-M150 PolarHBondContact N-O 3.39Å; E147-M150 HydrophobicContact CB-CB 3.69Å; E147-M150 HydrophobicContact CG-CB 4.14Å; E147-M150 HydrophobicContact CG-SD 4.44Å; E147-M150 PolarHBondContact O-N 3.33Å; M150-I152 HydrophobicContact CE-CG2 4.33Å; M150-Y591 HydrophobicContact CE-CD1 4.25Å; M150-Y591 HydrophobicContact CE-CE1 3.93Å; M150-Y591 HydrophobicContact SD-CD1 4.04Å; M150-Y591 HydrophobicContact SD-CE1 3.63Å; M150-Y594 HydrophobicContact CB-CD2 4.03Å; M150-Y594 HydrophobicContact CB-CE2 3.82Å; M150-Y594 HydrophobicContact CG-CD2 4.26Å; M150-Y594 HydrophobicContact SD-CD1 4.19Å; M150-Y594 HydrophobicContact SD-CD2 4.16Å; M150-Y594 HydrophobicContact SD-CG 3.95Å; M150-Y611 CarbonylContact C-O 3.59Å; M150-Y611 VanDerWaalsContact CA-O 3.23Å; M150-Y611 WeakPolarHBondContact CA-O 3.17Å; M150-Y611 HydrophobicContact CE-CD1 4.27Å; M150-Y611 HydrophobicContact CE-CE1 4.25Å; M150-Y611 HydrophobicContact CG-CD1 4.13Å; M150-L616 HydrophobicContact CE-CD1 3.47Å; M150-L616 VanDerWaalsContact CE-CD1 3.47Å; M150-L616 HydrophobicContact CE-CD2 3.64Å; M150-L616 HydrophobicContact CE-CG 4.13Å
151F97.9Very high93.9Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-139.3156.1170.173.5-78.3000113.3F143 I144 T145 L153 L187 F190 I582 F584 V610 Y611 G612 C613F143-F151 HydrophobicContact CB-CD2 4.36Å; F143-F151 HydrophobicContact CD2-CB 4.22Å; I144-F151 CarbonylContact O-C 3.36Å; I144-F151 WeakPolarHBondContact O-CA 3.23Å; T145-F151 HydrophobicContact CG2-CB 4.01Å; F151-L153 HydrophobicContact CD2-CD2 4.29Å; F151-L153 HydrophobicContact CE2-CD2 3.94Å; F151-L187 HydrophobicContact CE2-CD2 3.99Å; F151-L187 HydrophobicContact CZ-CD2 4.02Å; F151-F190 HydrophobicContact CB-CD2 4.46Å; F151-F190 HydrophobicContact CB-CE2 4.35Å; F151-F190 AromaticContact CD1-CD2 3.86Å; F151-F190 HydrophobicContact CD1-CD2 3.86Å; F151-F190 AromaticContact CD1-CE2 3.29Å; F151-F190 HydrophobicContact CD1-CE2 3.29Å; F151-F190 AromaticContact CD1-CZ 3.91Å; F151-F190 HydrophobicContact CD1-CZ 3.91Å; F151-F190 AromaticContact CD2-CD2 3.79Å; F151-F190 HydrophobicContact CD2-CD2 3.79Å; F151-F190 HydrophobicContact CD2-CE2 4.11Å; F151-F190 HydrophobicContact CD2-CG 4.46Å; F151-F190 AromaticContact CE1-CD2 3.96Å; F151-F190 HydrophobicContact CE1-CD2 3.96Å; F151-F190 HydrophobicContact CE1-CE1 4.26Å; F151-F190 AromaticContact CE1-CE2 3.43Å; F151-F190 HydrophobicContact CE1-CE2 3.43Å; F151-F190 VanDerWaalsContact CE1-CE2 3.43Å; F151-F190 AromaticContact CE1-CZ 3.62Å; F151-F190 HydrophobicContact CE1-CZ 3.62Å; F151-F190 AromaticContact CE2-CD2 3.89Å; F151-F190 HydrophobicContact CE2-CD2 3.89Å; F151-F190 HydrophobicContact CE2-CE2 4.22Å; F151-F190 HydrophobicContact CE2-CG 4.17Å; F151-F190 AromaticContact CG-CD2 3.76Å; F151-F190 HydrophobicContact CG-CD2 3.76Å; F151-F190 AromaticContact CG-CE2 3.65Å; F151-F190 HydrophobicContact CG-CE2 3.65Å; F151-F190 HydrophobicContact CZ-CD1 4.39Å; F151-F190 AromaticContact CZ-CD2 3.97Å; F151-F190 HydrophobicContact CZ-CD2 3.97Å; F151-F190 HydrophobicContact CZ-CE1 4.37Å; F151-F190 AromaticContact CZ-CE2 3.89Å; F151-F190 HydrophobicContact CZ-CE2 3.89Å; F151-F190 HydrophobicContact CZ-CG 4.21Å; F151-F190 HydrophobicContact CZ-CZ 4.12Å; F151-I582 HydrophobicContact CE1-CG2 4.13Å; F151-I582 HydrophobicContact CZ-CG2 4.46Å; F151-F584 AromaticContact CE2-CD2 3.85Å; F151-F584 HydrophobicContact CE2-CD2 3.85Å; F151-F584 AromaticContact CE2-CE2 3.98Å; F151-F584 HydrophobicContact CE2-CE2 3.98Å; F151-F584 AromaticContact CZ-CD2 3.69Å; F151-F584 HydrophobicContact CZ-CD2 3.69Å; F151-F584 HydrophobicContact CZ-CE2 4.3Å; F151-V610 HydrophobicContact CD1-CG1 3.94Å; F151-V610 HydrophobicContact CE1-CG1 4.16Å; F151-Y611 VanDerWaalsContact CD1-O 3.28Å; F151-Y611 WeakPolarHBondContact CD1-O 3.44Å; F151-Y611 PolarHBondContact N-O 2.86Å; F151-G612 WeakPolarHBondContact O-CA 2.94Å; F151-C613 PolarHBondContact O-N 3.37Å
152I97.6Very high93.8Very high6 Ų627.7 Ų27.73%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-127.2157.2172.366.5170.7000108.8F143 I144 L146 M150 L616F143-I152 CarbonylContact C-O 3.5Å; F143-I152 WeakPolarHBondContact CA-O 3.49Å; I144-I152 HydrophobicContact CB-CD1 4.34Å; I144-I152 HydrophobicContact CB-CG1 3.75Å; I144-I152 HydrophobicContact CD1-CD1 4.21Å; I144-I152 HydrophobicContact CD1-CG1 4.32Å; I144-I152 HydrophobicContact CG1-CG1 4.47Å; I144-I152 HydrophobicContact CG2-CG1 4.43Å; I144-I152 PolarHBondContact N-O 3.32Å; I144-I152 PolarHBondContact O-N 3.37Å; L146-I152 HydrophobicContact CD1-CD1 4.23Å; L146-I152 HydrophobicContact CD1-CG2 4.25Å; M150-I152 HydrophobicContact CE-CG2 4.33Å; I152-L616 HydrophobicContact CG2-CB 3.75Å; I152-L616 HydrophobicContact CG2-CD2 4.37Å
153L95.5Very high93.8Very high2 Ų226.9 Ų26.91%0.0114%0.136CC..SBendtrans-79.4-51.1-176-61.2-165.8000113F151 I161 I183 L187 F584 C613F151-L153 HydrophobicContact CD2-CD2 4.29Å; F151-L153 HydrophobicContact CE2-CD2 3.94Å; L153-I161 HydrophobicContact CB-CD1 3.95Å; L153-I161 HydrophobicContact CD1-CD1 4.28Å; L153-I183 HydrophobicContact CD1-CB 4.03Å; L153-I183 HydrophobicContact CD1-CG1 4Å; L153-I183 HydrophobicContact CD1-CG2 3.87Å; L153-L187 HydrophobicContact CD2-CD2 4.42Å; L153-F584 HydrophobicContact CD1-CE2 4.11Å; L153-F584 HydrophobicContact CD1-CZ 3.53Å; L153-F584 HydrophobicContact CD2-CE2 3.64Å; L153-F584 HydrophobicContact CD2-CZ 3.95Å; L153-F584 HydrophobicContact CG-CE2 3.78Å; L153-F584 HydrophobicContact CG-CZ 3.7Å; L153-C613 PolarHBondContact N-O 3.2Å
154C85.9Confident93.7Very high15 Ų1529 Ų2910%0.10115%0.146CC..  trans-149.1155.5177.267.40000111.4Q156 I161C154-Q156 WeakPolarHBondContact CB-O 3.38Å; C154-Q156 PolarHBondContact SG-O 3.38Å; C154-I161 WeakPolarHBondContact SG-CD1 3.25Å
155H85.6Confident93.6Very high49 Ų4929.3 Ų29.323%0.22715%0.149CC..SBendtrans-105.9-44.7169.3-178.467.1000110.4D44 I144 H278 L279D44-H155 HydrophobicContact CB-CB 4.35Å; D44-H155 WeakPolarHBondContact OD2-CB 3.43Å; D44-H155 IonicContact OD2-CD2 2.68Å; D44-H155 PolarHBondContact OD2-CD2 2.88Å; D44-H155 VanDerWaalsContact OD2-CD2 3.32Å; D44-H155 IonicContact OD2-CG 3.33Å; I144-H155 HydrophobicContact CD1-CB 3.87Å; H155-H278 AromaticContact CE1-CD2 3.75Å; H155-L279 HydrophobicContact CB-CD1 4.5Å; H155-L279 HydrophobicContact CB-CD2 4.1Å
156Q89.3Confident93.5Very high51 Ų5129.9 Ų29.924%0.23815%0.152CC..THydrogen-bonded Turntrans-64139.4165.6-58.5-51.6-49.800111.1R40 F41 D44 C154 K158R40-Q156 HydrophobicContact CB-CG 3.7Å; F41-Q156 HydrophobicContact CD1-CB 3.87Å; F41-Q156 HydrophobicContact CD1-CG 4.33Å; F41-Q156 HydrophobicContact CD2-CB 4.29Å; F41-Q156 HydrophobicContact CD2-CG 4.35Å; F41-Q156 HydrophobicContact CE1-CB 3.51Å; F41-Q156 HydrophobicContact CE1-CG 4.41Å; F41-Q156 HydrophobicContact CE2-CB 3.95Å; F41-Q156 HydrophobicContact CE2-CG 4.41Å; F41-Q156 HydrophobicContact CG-CB 4.25Å; F41-Q156 HydrophobicContact CG-CG 4.3Å; F41-Q156 HydrophobicContact CZ-CB 3.54Å; F41-Q156 HydrophobicContact CZ-CG 4.43Å; D44-Q156 VanDerWaalsContact OD2-CG 3.29Å; D44-Q156 WeakPolarHBondContact OD2-CG 3.48Å; D44-Q156 PolarHBondContact OD2-NE2 3.36Å; C154-Q156 WeakPolarHBondContact CB-O 3.38Å; C154-Q156 PolarHBondContact SG-O 3.38Å; Q156-K158 PolarHBondContact O-N 2.93Å; Q156-K158 VanDerWaalsContact O-N 3.09Å
157N89.4Confident93.4Very high77 Ų7732 Ų3241%0.41216%0.163SC..THydrogen-bonded Turntrans53.127178.4-55.8-11.7000114.4E159 L160N157-E159 WeakPolarHBondContact CA-OE1 3.17Å; N157-E159 WeakPolarHBondContact CA-OE2 3.43Å; N157-E159 PolarHBondContact O-N 3.03Å; N157-E159 VanDerWaalsContact O-N 3.14Å; N157-L160 HydrophobicContact CB-CD1 3.77Å; N157-L160 HydrophobicContact CB-CG 4.08Å; N157-L160 WeakPolarHBondContact O-CB 3.48Å; N157-L160 PolarHBondContact O-N 3.01Å
158K89.5Confident93.3Very high31 Ų3135.4 Ų35.414%0.13518%0.176CC..G310 helixtrans-58.8-26.4-177.665.3-175.9-167.2131.50112.7Q156 L160 I161 S162 E615 Q621Q156-K158 PolarHBondContact O-N 2.93Å; Q156-K158 VanDerWaalsContact O-N 3.09Å; K158-L160 PolarHBondContact O-N 3.04Å; K158-I161 PolarHBondContact O-N 3.4Å; K158-S162 PolarHBondContact O-N 3Å; K158-E615 HydrophobicContact CB-CG 4.17Å; K158-E615 HydrophobicContact CD-CG 4.07Å; K158-E615 VanDerWaalsContact CD-OE1 3.28Å; K158-E615 WeakPolarHBondContact CD-OE1 3.49Å; K158-E615 WeakPolarHBondContact CE-OE1 3.45Å; K158-E615 HydrophobicContact CG-CG 4.33Å; K158-E615 WeakPolarHBondContact CG-OE1 3.47Å; K158-E615 IonicContact NZ-OE1 2.91Å; K158-E615 PolarHBondContact NZ-OE1 3.46Å; K158-Q621 VanDerWaalsContact NZ-OE1 3.14Å
159E90.6Very high93Very high104 Ų10437.1 Ų37.149%0.48620%0.201SC..G310 helixtrans-60.5-27.217470.3-71.5168.200113.2N157 I161 S162 A165N157-E159 WeakPolarHBondContact CA-OE1 3.17Å; N157-E159 WeakPolarHBondContact CA-OE2 3.43Å; N157-E159 PolarHBondContact O-N 3.03Å; N157-E159 VanDerWaalsContact O-N 3.14Å; E159-I161 VanDerWaalsContact C-N 3.3Å; E159-I161 PolarHBondContact O-N 3.21Å; E159-S162 WeakPolarHBondContact O-CB 3.45Å; E159-S162 PolarHBondContact O-N 2.94Å; E159-S162 PolarHBondContact O-OG 2.84Å; E159-A165 WeakPolarHBondContact O-CB 3.29Å
160L92Very high92.7Very high100 Ų10040.1 Ų40.152%0.52422%0.217SC..G310 helixtrans-71-24.9178.7-59.8-177.1000112.8N157 K158 A165 I179N157-L160 HydrophobicContact CB-CD1 3.77Å; N157-L160 HydrophobicContact CB-CG 4.08Å; N157-L160 WeakPolarHBondContact O-CB 3.48Å; N157-L160 PolarHBondContact O-N 3.01Å; K158-L160 PolarHBondContact O-N 3.04Å; L160-A165 WeakPolarHBondContact O-CB 3.44Å; L160-I179 WeakPolarHBondContact O-CG1 3.19Å
161I94.3Very high92.5Very high3 Ų341.8 Ų41.82%0.01523%0.225CC..G310 helixtrans-115.418.3178.764.3171000112.4L153 C154 K158 E159 I179 T182 I183 S614L153-I161 HydrophobicContact CB-CD1 3.95Å; L153-I161 HydrophobicContact CD1-CD1 4.28Å; C154-I161 WeakPolarHBondContact SG-CD1 3.25Å; K158-I161 PolarHBondContact O-N 3.4Å; E159-I161 VanDerWaalsContact C-N 3.3Å; E159-I161 PolarHBondContact O-N 3.21Å; I161-I179 HydrophobicContact CG2-CG2 4.28Å; I161-T182 HydrophobicContact CG2-CG2 3.94Å; I161-I183 HydrophobicContact CB-CD1 4.45Å; I161-I183 HydrophobicContact CB-CG1 4.28Å; I161-I183 HydrophobicContact CG2-CG1 4.2Å; I161-S614 VanDerWaalsContact CD1-O 3.29Å; I161-S614 WeakPolarHBondContact CD1-O 3.36Å; I161-S614 PolarHBondContact O-OG 2.99Å
162S95.6Very high92.3Very high4 Ų447.2 Ų47.23%0.02825%0.251CS..SBendtrans-74166.4-178.467.90000112.5K158 E159 H164 A165 I166 E615K158-S162 PolarHBondContact O-N 3Å; E159-S162 WeakPolarHBondContact O-CB 3.45Å; E159-S162 PolarHBondContact O-N 2.94Å; E159-S162 PolarHBondContact O-OG 2.84Å; S162-H164 VanDerWaalsContact C-N 3.27Å; S162-H164 PolarHBondContact O-N 3.32Å; S162-A165 PolarHBondContact O-N 3.34Å; S162-A165 PolarHBondContact OG-N 3.45Å; S162-A165 VanDerWaalsContact OG-N 3.13Å; S162-I166 WeakPolarHBondContact O-CG1 3.49Å; S162-I166 PolarHBondContact O-N 3.02Å; S162-E615 WeakPolarHBondContact CB-OE2 3.49Å
163Y96.3Very high92.1Very high1 Ų153.3 Ų53.30%0.00428%0.283CS..Hα-helixtrans-60.1-40.3173.4-177-99.4000111.5I166 N167 R253 N254 M257 Y482 G587 F622 Q625 L626 L629Y163-I166 PolarHBondContact O-N 2.85Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.25Å; Y163-N167 HydrophobicContact CE1-CB 4.44Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.24Å; Y163-N167 WeakPolarHBondContact O-CB 3.47Å; Y163-N167 PolarHBondContact O-N 3.46Å; Y163-N167 PolarHBondContact O-ND2 3.32Å; Y163-R253 HydrophobicContact CD2-CB 3.67Å; Y163-R253 HydrophobicContact CD2-CG 3.66Å; Y163-R253 HydrophobicContact CE2-CB 3.98Å; Y163-R253 HydrophobicContact CE2-CG 3.99Å; Y163-R253 HydrophobicContact CG-CG 4.28Å; Y163-N254 PolarHBondContact OH-OD1 3.5Å; Y163-M257 HydrophobicContact CE1-CE 4.08Å; Y163-M257 HydrophobicContact CE2-CE 3.73Å; Y163-M257 WeakPolarHBondContact OH-CE 3.48Å; Y163-Y482 AromaticContact CE1-CE1 3.77Å; Y163-Y482 HydrophobicContact CE1-CE1 3.77Å; Y163-Y482 PolarHBondContact OH-OH 3.38Å; Y163-G587 WeakPolarHBondContact CB-O 3.17Å; Y163-F622 HydrophobicContact CD1-CE2 4Å; Y163-F622 HydrophobicContact CG-CE2 4.1Å; Y163-Q625 VanDerWaalsContact CB-OE1 3.27Å; Y163-L626 HydrophobicContact CE1-CD2 4.23Å; Y163-L629 HydrophobicContact CD1-CD1 3.8Å; Y163-L629 HydrophobicContact CE1-CD1 3.63Å
164H96.2Very high92.1Very high46 Ų4657.9 Ų57.921%0.21331%0.312CS..Hα-helixtrans-57.5-50.2173.6170.9-85.4000112S162 I166 N167 R168 Q625 Q628 L629S162-H164 VanDerWaalsContact C-N 3.27Å; S162-H164 PolarHBondContact O-N 3.32Å; H164-I166 PolarHBondContact O-N 3.39Å; H164-N167 PolarHBondContact O-N 2.96Å; H164-N167 VanDerWaalsContact O-N 3.12Å; H164-R168 PolarHBondContact O-N 2.91Å; H164-Q625 HydrophobicContact CB-CB 3.94Å; H164-Q625 HydrophobicContact CB-CG 4.04Å; H164-Q625 VanDerWaalsContact N-OE1 3.14Å; H164-Q628 WeakPolarHBondContact CD2-CB 3.45Å; H164-L629 HydrophobicContact CB-CG 4.46Å
165A95.1Very high92.5Very high9 Ų960 Ų607%0.07432%0.322CS..Hα-helixtrans-58.5-38.6-177.800000112.3E159 L160 S162 I171 I179E159-A165 WeakPolarHBondContact O-CB 3.29Å; L160-A165 WeakPolarHBondContact O-CB 3.44Å; S162-A165 PolarHBondContact O-N 3.34Å; S162-A165 PolarHBondContact OG-N 3.45Å; S162-A165 VanDerWaalsContact OG-N 3.13Å; A165-I171 WeakPolarHBondContact O-CD1 3.23Å; A165-I179 HydrophobicContact CB-CD1 4.03Å
166I94.5Very high92.9Very high11 Ų1159.7 Ų59.76%0.05632%0.321CS..Hα-helixtrans-73.2-28.3-179.5-62.6165.5000112.4S162 Y163 H164 I179 M180 A207 V586S162-I166 WeakPolarHBondContact O-CG1 3.49Å; S162-I166 PolarHBondContact O-N 3.02Å; Y163-I166 PolarHBondContact O-N 2.85Å; H164-I166 PolarHBondContact O-N 3.39Å; I166-I179 HydrophobicContact CG1-CG2 3.98Å; I166-M180 HydrophobicContact CD1-CE 4.46Å; I166-M180 HydrophobicContact CG1-CE 4.18Å; I166-M180 HydrophobicContact CG2-CE 4.15Å; I166-A207 HydrophobicContact CG2-CB 3.86Å; I166-V586 HydrophobicContact CD1-CG1 3.95Å
167N93.8Very high93.2Very high46 Ų4662.4 Ų62.425%0.24633%0.334CS..Hα-helixtrans-115.45.2-169-64.9-86.7000114.8Y163 H164 Y482 L629Y163-N167 WeakPolarHBondContact CD2-ND2 3.25Å; Y163-N167 HydrophobicContact CE1-CB 4.44Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.24Å; Y163-N167 WeakPolarHBondContact O-CB 3.47Å; Y163-N167 PolarHBondContact O-N 3.46Å; Y163-N167 PolarHBondContact O-ND2 3.32Å; H164-N167 PolarHBondContact O-N 2.96Å; H164-N167 VanDerWaalsContact O-N 3.12Å; N167-Y482 WeakPolarHBondContact CB-OH 3.11Å; N167-L629 HydrophobicContact CB-CD1 4.11Å; N167-L629 HydrophobicContact CB-CD2 4.26Å
168R93.4Very high93.4Very high74 Ų7461.2 Ų61.228%0.27934%0.335SS..  trans-63.1139.9176.167-179.1179.5162.70.5111H164 D170 I171 D175 L629H164-R168 PolarHBondContact O-N 2.91Å; R168-D170 WeakPolarHBondContact CB-OD1 3.43Å; R168-D170 VanDerWaalsContact CD-OD1 3.24Å; R168-D170 WeakPolarHBondContact CD-OD1 3.37Å; R168-D170 VanDerWaalsContact CG-OD1 3.22Å; R168-D170 WeakPolarHBondContact CG-OD1 3.31Å; R168-D170 IonicContact NE-OD1 2.66Å; R168-D170 PolarHBondContact O-N 3.25Å; R168-I171 HydrophobicContact CG-CB 3.77Å; R168-I171 WeakPolarHBondContact O-CB 3.19Å; R168-I171 WeakPolarHBondContact O-CG2 3.49Å; R168-I171 PolarHBondContact O-N 3.25Å; R168-D175 IonicContact NH2-OD2 2.92Å; R168-D175 PolarHBondContact NH2-OD2 3.2Å; R168-L629 HydrophobicContact CB-CD2 4.31Å
169A87.8Confident93.7Very high113 Ų11360.6 Ų60.693%0.93433%0.332SS*.THydrogen-bonded Turntrans-68.6-20.8-172.400000114.1
170D90.3Very high94Very high101 Ų10155.6 Ų55.654%0.5431%0.309SS..THydrogen-bonded Turntrans-96.36.3-179.265.7-29.4000113.5R168 Q172R168-D170 WeakPolarHBondContact CB-OD1 3.43Å; R168-D170 VanDerWaalsContact CD-OD1 3.24Å; R168-D170 WeakPolarHBondContact CD-OD1 3.37Å; R168-D170 VanDerWaalsContact CG-OD1 3.22Å; R168-D170 WeakPolarHBondContact CG-OD1 3.31Å; R168-D170 IonicContact NE-OD1 2.66Å; R168-D170 PolarHBondContact O-N 3.25Å; D170-Q172 PolarHBondContact O-N 2.65Å; D170-Q172 PolarHBondContact O-NE2 3.46Å
171I92.5Very high94.2Very high34 Ų3454 Ų5417%0.17430%0.301CS..  trans-59.5130179.9-171.9157.3000111.3A165 R168 D175 M176 I179A165-I171 WeakPolarHBondContact O-CD1 3.23Å; R168-I171 HydrophobicContact CG-CB 3.77Å; R168-I171 WeakPolarHBondContact O-CB 3.19Å; R168-I171 WeakPolarHBondContact O-CG2 3.49Å; R168-I171 PolarHBondContact O-N 3.25Å; I171-D175 HydrophobicContact CG1-CB 4.17Å; I171-M176 HydrophobicContact CD1-CB 3.93Å; I171-M176 HydrophobicContact CD1-CE 3.71Å; I171-M176 HydrophobicContact CD1-CG 4.44Å; I171-M176 HydrophobicContact CG1-CB 4.22Å; I171-M176 HydrophobicContact CG1-CE 4.24Å; I171-M176 HydrophobicContact CG2-CE 3.96Å; I171-I179 HydrophobicContact CD1-CD1 4.09Å
172Q94Very high94.3Very high115 Ų11557 Ų5754%0.53732%0.32SS..  trans-90.1152.5172.4-56.7-55.8-61.400110.5D170 T174 D175 M176D170-Q172 PolarHBondContact O-N 2.65Å; D170-Q172 PolarHBondContact O-NE2 3.46Å; Q172-T174 PolarHBondContact O-N 3.45Å; Q172-D175 WeakPolarHBondContact O-CB 3.09Å; Q172-D175 PolarHBondContact O-N 3.15Å; Q172-M176 PolarHBondContact O-N 3.2Å
173D92.6Very high94.4Very high134 Ų13456.8 Ų56.872%0.71732%0.318SS*.Hα-helixtrans-55.5-38.2177.5-69.3-15.1000111.9D175 M176 E177D173-D175 PolarHBondContact O-N 3.46Å; D173-M176 PolarHBondContact O-N 2.75Å; D173-E177 WeakPolarHBondContact O-CG 3.37Å; D173-E177 PolarHBondContact O-N 2.95Å
174T95.2Very high94.5Very high98 Ų9856.9 Ų56.960%0.60132%0.319SS*.Hα-helixtrans-63.9-39.3177.152.10000112.8Q172 E177 A178Q172-T174 PolarHBondContact O-N 3.45Å; T174-E177 PolarHBondContact O-N 3.4Å; T174-A178 PolarHBondContact O-N 2.91Å; T174-A178 VanDerWaalsContact O-N 3.09Å
175D94.4Very high94.5Very high59 Ų5957.6 Ų57.632%0.31632%0.324SS..Hα-helixtrans-69.3-43.7177.6-63.8-19000109.7R168 I171 Q172 D173 E177 A178 I179R168-D175 IonicContact NH2-OD2 2.92Å; R168-D175 PolarHBondContact NH2-OD2 3.2Å; I171-D175 HydrophobicContact CG1-CB 4.17Å; Q172-D175 WeakPolarHBondContact O-CB 3.09Å; Q172-D175 PolarHBondContact O-N 3.15Å; D173-D175 PolarHBondContact O-N 3.46Å; D175-E177 VanDerWaalsContact C-N 3.31Å; D175-E177 PolarHBondContact O-N 3.3Å; D175-A178 PolarHBondContact O-N 3.45Å; D175-I179 VanDerWaalsContact O-CG1 3.25Å; D175-I179 WeakPolarHBondContact O-CG1 3.43Å; D175-I179 PolarHBondContact O-N 3.32Å
176M93.9Very high94.6Very high43 Ų4357.2 Ų57.221%0.21232%0.321CS..Hα-helixtrans-59-44.4175.8-170.8165.7-72.200110.9I171 Q172 D173 A178 I179 M180 M210I171-M176 HydrophobicContact CD1-CB 3.93Å; I171-M176 HydrophobicContact CD1-CE 3.71Å; I171-M176 HydrophobicContact CD1-CG 4.44Å; I171-M176 HydrophobicContact CG1-CB 4.22Å; I171-M176 HydrophobicContact CG1-CE 4.24Å; I171-M176 HydrophobicContact CG2-CE 3.96Å; Q172-M176 PolarHBondContact O-N 3.2Å; D173-M176 PolarHBondContact O-N 2.75Å; M176-A178 PolarHBondContact O-N 3.1Å; M176-I179 PolarHBondContact O-N 3Å; M176-M180 HydrophobicContact CG-CE 4.13Å; M176-M180 VanDerWaalsContact O-CG 3.26Å; M176-M180 WeakPolarHBondContact O-CG 3.18Å; M176-M180 PolarHBondContact O-N 3.34Å; M176-M210 HydrophobicContact CG-CE 4.02Å; M176-M210 HydrophobicContact CG-SD 4.18Å; M176-M210 HydrophobicContact SD-CE 4.19Å; M176-M210 HydrophobicContact SD-SD 3.81Å
177E95.1Very high94.8Very high108 Ų10856.7 Ų56.751%0.50532%0.319SS..Hα-helixtrans-58.7-45.4175.7-77.8-171.1169.400112.6D173 T174 D175 M180 D181 K214D173-E177 WeakPolarHBondContact O-CG 3.37Å; D173-E177 PolarHBondContact O-N 2.95Å; T174-E177 PolarHBondContact O-N 3.4Å; D175-E177 VanDerWaalsContact C-N 3.31Å; D175-E177 PolarHBondContact O-N 3.3Å; E177-M180 PolarHBondContact O-N 3.45Å; E177-D181 WeakPolarHBondContact O-CB 3.49Å; E177-D181 VanDerWaalsContact O-CG 3.23Å; E177-D181 PolarHBondContact O-N 3.13Å; E177-K214 PolarHBondContact O-NZ 3.25Å
178A95.4Very high94.9Very high52 Ų5255 Ų5543%0.4331%0.309SS..Hα-helixtrans-65.4-39.6179.400000112.8T174 D175 M176 D181 T182T174-A178 PolarHBondContact O-N 2.91Å; T174-A178 VanDerWaalsContact O-N 3.09Å; D175-A178 PolarHBondContact O-N 3.45Å; M176-A178 PolarHBondContact O-N 3.1Å; A178-D181 PolarHBondContact O-N 2.97Å; A178-T182 PolarHBondContact O-N 2.89Å; A178-T182 PolarHBondContact O-OG1 3.44Å
179I95.9Very high95Very high17 Ų1751.6 Ų51.69%0.08730%0.297CS..Hα-helixtrans-61.1-49173.6-66.9170.8000109.7L160 I161 A165 I166 I171 D175 M176 D181 T182 I183L160-I179 WeakPolarHBondContact O-CG1 3.19Å; I161-I179 HydrophobicContact CG2-CG2 4.28Å; A165-I179 HydrophobicContact CB-CD1 4.03Å; I166-I179 HydrophobicContact CG1-CG2 3.98Å; I171-I179 HydrophobicContact CD1-CD1 4.09Å; D175-I179 VanDerWaalsContact O-CG1 3.25Å; D175-I179 WeakPolarHBondContact O-CG1 3.43Å; D175-I179 PolarHBondContact O-N 3.32Å; M176-I179 PolarHBondContact O-N 3Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 2.81Å; I179-T182 WeakPolarHBondContact O-CB 3.35Å; I179-T182 PolarHBondContact O-N 2.66Å; I179-I183 HydrophobicContact CG2-CD1 4.2Å; I179-I183 WeakPolarHBondContact O-CG1 3.47Å; I179-I183 PolarHBondContact O-N 2.88Å; I179-I183 VanDerWaalsContact O-N 3.11Å
180M96.4Very high95.5Very high0 Ų046.2 Ų46.20%025%0.252CS..Hα-helixtrans-64.6-38.7179.6-62.6-51.3143.200111.9I166 M176 E177 T182 I183 V184 A207 M210 V211 K214I166-M180 HydrophobicContact CD1-CE 4.46Å; I166-M180 HydrophobicContact CG1-CE 4.18Å; I166-M180 HydrophobicContact CG2-CE 4.15Å; M176-M180 HydrophobicContact CG-CE 4.13Å; M176-M180 VanDerWaalsContact O-CG 3.26Å; M176-M180 WeakPolarHBondContact O-CG 3.18Å; M176-M180 PolarHBondContact O-N 3.34Å; E177-M180 PolarHBondContact O-N 3.45Å; M180-T182 VanDerWaalsContact C-N 3.34Å; M180-T182 PolarHBondContact O-N 2.88Å; M180-I183 PolarHBondContact O-N 2.72Å; M180-I183 HydrophobicContact SD-CD1 4.43Å; M180-V184 WeakPolarHBondContact O-CB 3.35Å; M180-V184 WeakPolarHBondContact O-CG2 3.44Å; M180-V184 PolarHBondContact O-N 2.95Å; M180-A207 HydrophobicContact CE-CB 3.7Å; M180-A207 HydrophobicContact SD-CB 4.25Å; M180-M210 HydrophobicContact CG-CB 4.05Å; M180-M210 HydrophobicContact CG-CE 4.19Å; M180-M210 HydrophobicContact CG-SD 4.43Å; M180-M210 HydrophobicContact SD-CB 4.39Å; M180-V211 HydrophobicContact SD-CG2 3.62Å; M180-K214 HydrophobicContact CB-CD 4.1Å
181D96Very high95.7Very high66 Ų6641.4 Ų41.435%0.35323%0.226SC..Hα-helixtrans-63.1-40.9176.4-72.6-26.2000111.4E177 A178 I179 I183 V184 D185 K214E177-D181 WeakPolarHBondContact O-CB 3.49Å; E177-D181 VanDerWaalsContact O-CG 3.23Å; E177-D181 PolarHBondContact O-N 3.13Å; A178-D181 PolarHBondContact O-N 2.97Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 2.81Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.44Å; D181-V184 PolarHBondContact O-N 3.4Å; D181-D185 VanDerWaalsContact O-CB 3.27Å; D181-D185 WeakPolarHBondContact O-CB 3.05Å; D181-D185 PolarHBondContact O-N 2.92Å; D181-K214 WeakPolarHBondContact OD1-CD 3.22Å; D181-K214 IonicContact OD1-NZ 2.97Å; D181-K214 PolarHBondContact OD1-NZ 3.38Å; D181-K214 IonicContact OD2-NZ 2.83Å; D181-K214 PolarHBondContact OD2-NZ 2.82Å
182T95.9Very high95.7Very high66 Ų6640.6 Ų40.641%0.40522%0.223SC..Hα-helixtrans-60.1-44.2174.8-57.30000111.8I161 A178 I179 M180 S186I161-T182 HydrophobicContact CG2-CG2 3.94Å; A178-T182 PolarHBondContact O-N 2.89Å; A178-T182 PolarHBondContact O-OG1 3.44Å; I179-T182 WeakPolarHBondContact O-CB 3.35Å; I179-T182 PolarHBondContact O-N 2.66Å; M180-T182 VanDerWaalsContact C-N 3.34Å; M180-T182 PolarHBondContact O-N 2.88Å; T182-S186 PolarHBondContact O-N 3.26Å; T182-S186 PolarHBondContact O-OG 2.64Å
183I97.8Very high95.6Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-63.9-47.8177.2-67.6172.4000110.6L153 I161 I179 M180 D181 D185 S186 L187 V211 F584 V586L153-I183 HydrophobicContact CD1-CB 4.03Å; L153-I183 HydrophobicContact CD1-CG1 4Å; L153-I183 HydrophobicContact CD1-CG2 3.87Å; I161-I183 HydrophobicContact CB-CD1 4.45Å; I161-I183 HydrophobicContact CB-CG1 4.28Å; I161-I183 HydrophobicContact CG2-CG1 4.2Å; I179-I183 HydrophobicContact CG2-CD1 4.2Å; I179-I183 WeakPolarHBondContact O-CG1 3.47Å; I179-I183 PolarHBondContact O-N 2.88Å; I179-I183 VanDerWaalsContact O-N 3.11Å; M180-I183 PolarHBondContact O-N 2.72Å; M180-I183 HydrophobicContact SD-CD1 4.43Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.44Å; I183-D185 PolarHBondContact O-N 3.41Å; I183-S186 PolarHBondContact O-N 3.19Å; I183-L187 HydrophobicContact CG2-CD1 4.04Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 2.99Å; I183-V211 HydrophobicContact CB-CG2 4.4Å; I183-V211 HydrophobicContact CG2-CG1 3.97Å; I183-V211 HydrophobicContact CG2-CG2 3.82Å; I183-F584 HydrophobicContact CG2-CE1 3.78Å; I183-F584 HydrophobicContact CG2-CZ 4.11Å; I183-V586 HydrophobicContact CD1-CG1 4.25Å
184V97.9Very high95.5Very high3 Ų330.7 Ų30.72%0.01817%0.174CC..Hα-helixtrans-64.4-39.9-178.2169.40000111.5M180 D181 S186 L187 F188 V211 K214 L215 K218M180-V184 WeakPolarHBondContact O-CB 3.35Å; M180-V184 WeakPolarHBondContact O-CG2 3.44Å; M180-V184 PolarHBondContact O-N 2.95Å; D181-V184 PolarHBondContact O-N 3.4Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.03Å; V184-L187 PolarHBondContact O-N 3.2Å; V184-F188 VanDerWaalsContact O-CB 3.25Å; V184-F188 WeakPolarHBondContact O-CB 3.33Å; V184-F188 PolarHBondContact O-N 2.95Å; V184-V211 HydrophobicContact CG2-CB 4.48Å; V184-V211 HydrophobicContact CG2-CG1 4.1Å; V184-K214 HydrophobicContact CG1-CB 4.29Å; V184-K214 HydrophobicContact CG2-CB 3.67Å; V184-L215 HydrophobicContact CG1-CB 4.23Å; V184-L215 HydrophobicContact CG1-CD1 4.31Å; V184-L215 HydrophobicContact CG2-CB 4.48Å; V184-K218 HydrophobicContact CG1-CB 4.44Å; V184-K218 HydrophobicContact CG1-CD 4.03Å
185D96.3Very high95.1Very high60 Ų6027 Ų2732%0.32116%0.156SC..Hα-helixtrans-62.7-41.5177.8-77.74.3000111.9D181 I183 F188 C189 K218D181-D185 VanDerWaalsContact O-CB 3.27Å; D181-D185 WeakPolarHBondContact O-CB 3.05Å; D181-D185 PolarHBondContact O-N 2.92Å; I183-D185 PolarHBondContact O-N 3.41Å; D185-F188 PolarHBondContact O-N 3.35Å; D185-C189 PolarHBondContact O-N 3.37Å; D185-C189 PolarHBondContact O-SG 3.26Å; D185-K218 VanDerWaalsContact CG-NZ 3.34Å; D185-K218 IonicContact OD1-NZ 2.82Å; D185-K218 PolarHBondContact OD1-NZ 3.33Å; D185-K218 IonicContact OD2-NZ 3.96Å
186S97.2Very high94.8Very high2 Ų225.2 Ų25.21%0.01415%0.149CC..Hα-helixtrans-69.6-44.6177.9-51.60000111.5N142 T182 I183 V184 F188 C189 F190N142-S186 PolarHBondContact ND2-OG 2.99Å; N142-S186 WeakPolarHBondContact O-CA 3.26Å; N142-S186 WeakPolarHBondContact O-CB 3.42Å; T182-S186 PolarHBondContact O-N 3.26Å; T182-S186 PolarHBondContact O-OG 2.64Å; I183-S186 PolarHBondContact O-N 3.19Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.03Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 3.41Å; S186-C189 WeakPolarHBondContact O-CB 3.47Å; S186-C189 PolarHBondContact O-N 2.88Å; S186-F190 PolarHBondContact O-N 2.89Å
187L98.1Very high94.7Very high0 Ų023.4 Ų23.40%014%0.141CC..Hα-helixtrans-62-38.8173.1-74.6175.8000112.2F151 L153 I183 V184 F190 F191 V211 L215 F584F151-L187 HydrophobicContact CE2-CD2 3.99Å; F151-L187 HydrophobicContact CZ-CD2 4.02Å; L153-L187 HydrophobicContact CD2-CD2 4.42Å; I183-L187 HydrophobicContact CG2-CD1 4.04Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 3.2Å; L187-F190 WeakPolarHBondContact O-CB 3.44Å; L187-F190 PolarHBondContact O-N 3.34Å; L187-F191 WeakPolarHBondContact O-CD2 3.3Å; L187-F191 PolarHBondContact O-N 3.29Å; L187-V211 HydrophobicContact CD1-CG1 3.65Å; L187-L215 HydrophobicContact CB-CD1 4.3Å; L187-L215 HydrophobicContact CB-CD2 4.2Å; L187-L215 HydrophobicContact CD1-CD2 4.21Å; L187-F584 HydrophobicContact CD1-CD1 3.96Å; L187-F584 HydrophobicContact CD1-CE1 4.03Å; L187-F584 HydrophobicContact CD1-CG 4.36Å; L187-F584 HydrophobicContact CD1-CZ 4.49Å; L187-F584 HydrophobicContact CD2-CB 4.46Å; L187-F584 HydrophobicContact CD2-CD1 4.25Å; L187-F584 HydrophobicContact CD2-CD2 3.68Å; L187-F584 HydrophobicContact CD2-CE1 4.45Å; L187-F584 HydrophobicContact CD2-CE2 3.9Å; L187-F584 HydrophobicContact CD2-CG 3.86Å; L187-F584 HydrophobicContact CD2-CZ 4.29Å; L187-F584 HydrophobicContact CG-CE1 4.48Å; L187-F584 HydrophobicContact CG-CZ 4.46Å
188F96.8Very high94.6Very high9 Ų918.3 Ų18.34%0.03912%0.117CC..Hα-helixtrans-61.6-46.4174.6-178.4-94.2000111Y140 V184 D185 S186 F190 F191 V192 L215 K218 L219 N222 L230 F231Y140-F188 HydrophobicContact CD1-CD1 4.36Å; Y140-F188 HydrophobicContact CD1-CE1 4.21Å; Y140-F188 HydrophobicContact CE1-CD1 4.46Å; Y140-F188 AromaticContact CE1-CE1 3.99Å; Y140-F188 HydrophobicContact CE1-CE1 3.99Å; V184-F188 VanDerWaalsContact O-CB 3.25Å; V184-F188 WeakPolarHBondContact O-CB 3.33Å; V184-F188 PolarHBondContact O-N 2.95Å; D185-F188 PolarHBondContact O-N 3.35Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 3.41Å; F188-F190 VanDerWaalsContact C-N 3.31Å; F188-F190 PolarHBondContact O-N 3.04Å; F188-F191 PolarHBondContact O-N 3.39Å; F188-V192 HydrophobicContact CD1-CG2 3.97Å; F188-V192 HydrophobicContact CE1-CG2 3.6Å; F188-V192 HydrophobicContact CZ-CG2 3.91Å; F188-V192 WeakPolarHBondContact O-CG2 3.16Å; F188-V192 PolarHBondContact O-N 2.8Å; F188-L215 HydrophobicContact CB-CD1 4.34Å; F188-K218 HydrophobicContact CB-CD 4.06Å; F188-K218 HydrophobicContact CD2-CB 4.5Å; F188-K218 HydrophobicContact CD2-CD 3.99Å; F188-K218 HydrophobicContact CD2-CG 3.78Å; F188-K218 HydrophobicContact CE2-CG 4.06Å; F188-K218 HydrophobicContact CG-CD 3.95Å; F188-K218 HydrophobicContact CG-CG 4.25Å; F188-L219 HydrophobicContact CD2-CD2 3.94Å; F188-L219 HydrophobicContact CD2-CG 4.48Å; F188-L219 HydrophobicContact CE2-CD2 4.07Å; F188-N222 HydrophobicContact CE2-CB 4.07Å; F188-N222 HydrophobicContact CZ-CB 4.02Å; F188-L230 HydrophobicContact CE1-CD1 3.88Å; F188-L230 HydrophobicContact CZ-CD1 4Å; F188-F231 AromaticContact CE2-CE2 3.98Å; F188-F231 HydrophobicContact CE2-CE2 3.98Å; F188-F231 HydrophobicContact CE2-CZ 4.33Å; F188-F231 HydrophobicContact CZ-CE2 4.27Å
189C96.3Very high94.5Very high4 Ų416.7 Ų16.73%0.02710%0.101CC..Hα-helixtrans-56.7-44.1173.9-700000112.2Y140 N142 F143 D185 S186 F191 V192 T193Y140-C189 CarbonylContact O-C 3.46Å; Y140-C189 VanDerWaalsContact O-CB 3.32Å; Y140-C189 WeakPolarHBondContact O-CB 3.25Å; Y140-C189 VanDerWaalsContact O-O 3.11Å; N142-C189 HydrophobicContact CB-CB 4.07Å; F143-C189 HydrophobicContact CD1-CB 4.36Å; D185-C189 PolarHBondContact O-N 3.37Å; D185-C189 PolarHBondContact O-SG 3.26Å; S186-C189 WeakPolarHBondContact O-CB 3.47Å; S186-C189 PolarHBondContact O-N 2.88Å; C189-F191 PolarHBondContact O-N 3.25Å; C189-V192 PolarHBondContact O-N 3.16Å; C189-T193 PolarHBondContact O-N 2.74Å; C189-T193 PolarHBondContact O-OG1 2.89Å
190F96.8Very high94.6Very high0 Ų015.9 Ų15.90%010%0.096CC..Hα-helixtrans-57.1-48.1174.4171.2-87.2000112.2V5 F143 F151 S186 L187 F188 T193 L194 I582 V610V5-F190 HydrophobicContact CB-CE2 4.39Å; V5-F190 HydrophobicContact CG1-CE2 4.48Å; V5-F190 HydrophobicContact CG2-CD2 4.12Å; V5-F190 HydrophobicContact CG2-CE2 3.56Å; V5-F190 HydrophobicContact CG2-CZ 4.23Å; F143-F190 HydrophobicContact CD1-CB 4.02Å; F143-F190 HydrophobicContact CD2-CD2 4.07Å; F143-F190 HydrophobicContact CE1-CB 4.22Å; F143-F190 HydrophobicContact CE2-CD2 4.05Å; F143-F190 HydrophobicContact CG-CB 4.29Å; F143-F190 HydrophobicContact CG-CD2 4.42Å; F143-F190 HydrophobicContact CZ-CD2 4.41Å; F151-F190 HydrophobicContact CB-CD2 4.46Å; F151-F190 HydrophobicContact CB-CE2 4.35Å; F151-F190 AromaticContact CD1-CD2 3.86Å; F151-F190 HydrophobicContact CD1-CD2 3.86Å; F151-F190 AromaticContact CD1-CE2 3.29Å; F151-F190 HydrophobicContact CD1-CE2 3.29Å; F151-F190 AromaticContact CD1-CZ 3.91Å; F151-F190 HydrophobicContact CD1-CZ 3.91Å; F151-F190 AromaticContact CD2-CD2 3.79Å; F151-F190 HydrophobicContact CD2-CD2 3.79Å; F151-F190 HydrophobicContact CD2-CE2 4.11Å; F151-F190 HydrophobicContact CD2-CG 4.46Å; F151-F190 AromaticContact CE1-CD2 3.96Å; F151-F190 HydrophobicContact CE1-CD2 3.96Å; F151-F190 HydrophobicContact CE1-CE1 4.26Å; F151-F190 AromaticContact CE1-CE2 3.43Å; F151-F190 HydrophobicContact CE1-CE2 3.43Å; F151-F190 VanDerWaalsContact CE1-CE2 3.43Å; F151-F190 AromaticContact CE1-CZ 3.62Å; F151-F190 HydrophobicContact CE1-CZ 3.62Å; F151-F190 AromaticContact CE2-CD2 3.89Å; F151-F190 HydrophobicContact CE2-CD2 3.89Å; F151-F190 HydrophobicContact CE2-CE2 4.22Å; F151-F190 HydrophobicContact CE2-CG 4.17Å; F151-F190 AromaticContact CG-CD2 3.76Å; F151-F190 HydrophobicContact CG-CD2 3.76Å; F151-F190 AromaticContact CG-CE2 3.65Å; F151-F190 HydrophobicContact CG-CE2 3.65Å; F151-F190 HydrophobicContact CZ-CD1 4.39Å; F151-F190 AromaticContact CZ-CD2 3.97Å; F151-F190 HydrophobicContact CZ-CD2 3.97Å; F151-F190 HydrophobicContact CZ-CE1 4.37Å; F151-F190 AromaticContact CZ-CE2 3.89Å; F151-F190 HydrophobicContact CZ-CE2 3.89Å; F151-F190 HydrophobicContact CZ-CG 4.21Å; F151-F190 HydrophobicContact CZ-CZ 4.12Å; S186-F190 PolarHBondContact O-N 2.89Å; L187-F190 WeakPolarHBondContact O-CB 3.44Å; L187-F190 PolarHBondContact O-N 3.34Å; F188-F190 VanDerWaalsContact C-N 3.31Å; F188-F190 PolarHBondContact O-N 3.04Å; F190-T193 PolarHBondContact O-N 3.21Å; F190-L194 HydrophobicContact CE1-CD2 4.1Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 3.12Å; F190-I582 HydrophobicContact CE1-CD1 4.05Å; F190-I582 HydrophobicContact CE1-CG1 4.4Å; F190-I582 HydrophobicContact CE1-CG2 3.95Å; F190-I582 HydrophobicContact CZ-CG2 4.12Å; F190-V610 HydrophobicContact CE2-CG1 4.44Å; F190-V610 HydrophobicContact CZ-CG1 4.16Å
191F94.8Very high94.6Very high0 Ų016.5 Ų16.50%010%0.099CC..Hα-helixtrans-69.5-34.6179.8-79.5-66.5000113.4L187 F188 C189 L194 G195 A196 P198 L215 F231 L248 I582L187-F191 WeakPolarHBondContact O-CD2 3.3Å; L187-F191 PolarHBondContact O-N 3.29Å; F188-F191 PolarHBondContact O-N 3.39Å; C189-F191 PolarHBondContact O-N 3.25Å; F191-L194 HydrophobicContact CD1-CD2 4.16Å; F191-L194 HydrophobicContact CE1-CD2 4.27Å; F191-L194 PolarHBondContact O-N 3.1Å; F191-G195 PolarHBondContact O-N 3.41Å; F191-A196 VanDerWaalsContact CD1-O 3.28Å; F191-A196 WeakPolarHBondContact CD1-O 3.46Å; F191-A196 PolarHBondContact O-N 3.18Å; F191-P198 HydrophobicContact CD1-CB 4.43Å; F191-P198 HydrophobicContact CD1-CG 3.98Å; F191-P198 HydrophobicContact CD2-CG 4.32Å; F191-P198 HydrophobicContact CE1-CB 3.63Å; F191-P198 HydrophobicContact CE1-CG 3.5Å; F191-P198 VanDerWaalsContact CE1-CG 3.5Å; F191-P198 HydrophobicContact CE2-CG 3.93Å; F191-P198 HydrophobicContact CG-CG 4.37Å; F191-P198 HydrophobicContact CZ-CB 3.81Å; F191-P198 HydrophobicContact CZ-CG 3.5Å; F191-P198 VanDerWaalsContact CZ-CG 3.5Å; F191-L215 HydrophobicContact CD2-CD2 4.46Å; F191-L215 HydrophobicContact CE2-CD2 4.17Å; F191-F231 HydrophobicContact CB-CE1 4.15Å; F191-F231 HydrophobicContact CB-CZ 4.25Å; F191-F231 WeakPolarHBondContact O-CE1 3.33Å; F191-L248 HydrophobicContact CE2-CD1 4.46Å; F191-L248 HydrophobicContact CE2-CD2 3.8Å; F191-L248 HydrophobicContact CZ-CB 4.16Å; F191-L248 HydrophobicContact CZ-CD1 4.12Å; F191-L248 HydrophobicContact CZ-CD2 3.92Å; F191-L248 HydrophobicContact CZ-CG 4.29Å; F191-I582 HydrophobicContact CD1-CD1 4.48Å; F191-I582 HydrophobicContact CE1-CD1 3.43Å; F191-I582 VanDerWaalsContact CE1-CD1 3.43Å; F191-I582 HydrophobicContact CZ-CD1 3.87Å; F191-I582 HydrophobicContact CZ-CG2 4.48Å
192V92.3Very high94.5Very high17 Ų1713.3 Ų13.310%0.1038%0.082CC..Hα-helixtrans-60.6-47.9171.5170.40000110.1Y140 F188 C189 L194 G195 L230 F231Y140-V192 HydrophobicContact CD2-CG1 4.06Å; Y140-V192 HydrophobicContact CG-CB 4.39Å; Y140-V192 HydrophobicContact CG-CG1 3.92Å; F188-V192 HydrophobicContact CD1-CG2 3.97Å; F188-V192 HydrophobicContact CE1-CG2 3.6Å; F188-V192 HydrophobicContact CZ-CG2 3.91Å; F188-V192 WeakPolarHBondContact O-CG2 3.16Å; F188-V192 PolarHBondContact O-N 2.8Å; C189-V192 PolarHBondContact O-N 3.16Å; V192-L194 VanDerWaalsContact C-N 3.33Å; V192-L194 PolarHBondContact O-N 2.86Å; V192-G195 PolarHBondContact O-N 2.91Å; V192-G195 VanDerWaalsContact O-N 3.12Å; V192-L230 HydrophobicContact CG1-CB 4.2Å; V192-L230 HydrophobicContact CG1-CD1 4.28Å; V192-L230 HydrophobicContact CG2-CB 4.08Å; V192-L230 HydrophobicContact CG2-CD1 3.78Å; V192-F231 HydrophobicContact CG2-CE1 4.44Å; V192-F231 HydrophobicContact CG2-CE2 4.27Å; V192-F231 HydrophobicContact CG2-CZ 3.84Å
193T91.7Very high94.4Very high18 Ų1810.7 Ų10.711%0.117%0.066CC..Hα-helixtrans-65.1-36.8176.9-61.50000112.3K8 Q9 Y140 L141 F143 C189 F190 G195K8-T193 HydrophobicContact CB-CG2 4.27Å; Q9-T193 HydrophobicContact CB-CG2 4.48Å; Y140-T193 PolarHBondContact O-OG1 2.8Å; L141-T193 HydrophobicContact CD2-CG2 4.23Å; F143-T193 HydrophobicContact CE1-CG2 4.44Å; F143-T193 HydrophobicContact CZ-CG2 3.84Å; C189-T193 PolarHBondContact O-N 2.74Å; C189-T193 PolarHBondContact O-OG1 2.89Å; F190-T193 PolarHBondContact O-N 3.21Å; T193-G195 PolarHBondContact O-N 3.02Å
194L90.6Very high94Very high23 Ų2318.5 Ų18.512%0.1210%0.095CC..Hα-helixtrans-67.7-27.2175.5-171.465.4000112K8 F190 F191 V192 A196 I582K8-L194 HydrophobicContact CD-CD1 4.14Å; K8-L194 PolarHBondContact NZ-O 2.83Å; F190-L194 HydrophobicContact CE1-CD2 4.1Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 3.12Å; F191-L194 HydrophobicContact CD1-CD2 4.16Å; F191-L194 HydrophobicContact CE1-CD2 4.27Å; F191-L194 PolarHBondContact O-N 3.1Å; V192-L194 VanDerWaalsContact C-N 3.33Å; V192-L194 PolarHBondContact O-N 2.86Å; L194-A196 VanDerWaalsContact C-N 3.33Å; L194-A196 HydrophobicContact CD2-CB 4Å; L194-A196 HydrophobicContact CG-CB 4.04Å; L194-I582 HydrophobicContact CD2-CD1 3.64Å
195G87.3Confident93.5Very high21 Ų2122 Ų2222%0.21613%0.132CC..THydrogen-bonded Turntrans71.327-175.200000113.1F191 V192 T193F191-G195 PolarHBondContact O-N 3.41Å; V192-G195 PolarHBondContact O-N 2.91Å; V192-G195 VanDerWaalsContact O-N 3.12Å; T193-G195 PolarHBondContact O-N 3.02Å
196A88.3Confident93.1Very high21 Ų2121 Ų2117%0.17413%0.126CC..  trans-136.5141.9-17400000112.1F191 L194 P246F191-A196 VanDerWaalsContact CD1-O 3.28Å; F191-A196 WeakPolarHBondContact CD1-O 3.46Å; F191-A196 PolarHBondContact O-N 3.18Å; L194-A196 VanDerWaalsContact C-N 3.33Å; L194-A196 HydrophobicContact CD2-CB 4Å; L194-A196 HydrophobicContact CG-CB 4.04Å; A196-P246 HydrophobicContact CB-CG 4.04Å
197V91.3Very high92.9Very high5 Ų521.3 Ų21.33%0.0313%0.13CC..  trans-103.1115.4172.8-178.70000108.8L223 F231 R245 P561 K562V197-L223 HydrophobicContact CG1-CD1 4.12Å; V197-L223 HydrophobicContact CG2-CD1 4.24Å; V197-L223 HydrophobicContact CG2-CD2 4.2Å; V197-F231 HydrophobicContact CG2-CB 4.04Å; V197-F231 HydrophobicContact CG2-CD1 3.6Å; V197-F231 HydrophobicContact CG2-CD2 4.16Å; V197-F231 HydrophobicContact CG2-CE1 4.04Å; V197-F231 HydrophobicContact CG2-CG 3.66Å; V197-R245 PolarHBondContact O-NE 3.39Å; V197-P561 HydrophobicContact CG1-CB 3.76Å; V197-P561 HydrophobicContact CG1-CG 4.11Å; V197-K562 HydrophobicContact CB-CG 4.33Å; V197-K562 HydrophobicContact CG1-CG 4.07Å
198P94.2Very high92.8Very high0 Ų021.3 Ų21.30%013%0.13CC..PPolyproline II helixtrans-75.7167-17434.2-38.7000112.3F191 I200 L219 R245 P246 L248 P561F191-P198 HydrophobicContact CD1-CB 4.43Å; F191-P198 HydrophobicContact CD1-CG 3.98Å; F191-P198 HydrophobicContact CD2-CG 4.32Å; F191-P198 HydrophobicContact CE1-CB 3.63Å; F191-P198 HydrophobicContact CE1-CG 3.5Å; F191-P198 VanDerWaalsContact CE1-CG 3.5Å; F191-P198 HydrophobicContact CE2-CG 3.93Å; F191-P198 HydrophobicContact CG-CG 4.37Å; F191-P198 HydrophobicContact CZ-CB 3.81Å; F191-P198 HydrophobicContact CZ-CG 3.5Å; F191-P198 VanDerWaalsContact CZ-CG 3.5Å; P198-I200 HydrophobicContact CG-CG1 4.14Å; P198-L219 HydrophobicContact CG-CD1 4.19Å; P198-R245 PolarHBondContact O-NH2 2.64Å; P198-P246 CarbonylContact C-O 3.46Å; P198-P246 VanDerWaalsContact CA-O 3.22Å; P198-P246 WeakPolarHBondContact CA-O 3.45Å; P198-P246 HydrophobicContact CB-CG 4.49Å; P198-L248 HydrophobicContact CB-CB 3.71Å; P198-L248 HydrophobicContact CG-CB 4.14Å; P198-L248 HydrophobicContact CG-CD2 4.37Å; P198-P561 WeakPolarHBondContact O-CD 3.31Å
199I93.8Very high92.8Very high18 Ų1822.9 Ų22.99%0.09214%0.137CC..EExtended strand (participates in β ladder)trans-93130.5153.4-73.4165000106.9P246 L247 L248 Y558 F578I199-P246 PolarHBondContact N-O 2.9Å; I199-L247 HydrophobicContact CG2-CD1 4.41Å; I199-L247 CarbonylContact O-C 3.54Å; I199-L248 PolarHBondContact O-N 3.38Å; I199-Y558 HydrophobicContact CG2-CD2 4.03Å; I199-Y558 HydrophobicContact CG2-CE2 3.38Å; I199-F578 HydrophobicContact CB-CE1 4.44Å; I199-F578 HydrophobicContact CB-CZ 4.38Å; I199-F578 HydrophobicContact CD1-CE1 3.8Å; I199-F578 HydrophobicContact CD1-CZ 4.03Å; I199-F578 HydrophobicContact CG2-CZ 4.2Å
200I96.4Very high92.8Very high0 Ų025.9 Ų25.90%015%0.151CC..EExtended strand (participates in β ladder)trans-103.7130-172.4-47.3175.4000109.9P198 A212 L215 D216 L219 L248 L250 Y558 F559 P561P198-I200 HydrophobicContact CG-CG1 4.14Å; I200-A212 HydrophobicContact CG2-CB 4.03Å; I200-L215 HydrophobicContact CD1-CB 4.47Å; I200-L215 HydrophobicContact CD1-CD2 4.18Å; I200-L215 HydrophobicContact CD1-CG 4.2Å; I200-D216 HydrophobicContact CD1-CB 4.13Å; I200-L219 HydrophobicContact CD1-CD1 4.35Å; I200-L248 CarbonylContact C-O 3.59Å; I200-L248 WeakPolarHBondContact CA-O 3.22Å; I200-L248 HydrophobicContact CD1-CD2 4.46Å; I200-L248 HydrophobicContact CG1-CB 4.43Å; I200-L248 HydrophobicContact CG1-CD2 4.1Å; I200-L248 HydrophobicContact CG2-CD2 4.08Å; I200-L248 HydrophobicContact CG2-CG 4.38Å; I200-L250 HydrophobicContact CG2-CD1 3.88Å; I200-L250 HydrophobicContact CG2-CG 4.28Å; I200-Y558 WeakPolarHBondContact O-CA 3.4Å; I200-F559 HydrophobicContact CB-CB 4.11Å; I200-F559 HydrophobicContact CB-CD2 4.32Å; I200-F559 HydrophobicContact CG2-CD2 4.41Å; I200-F559 PolarHBondContact N-O 3.44Å; I200-F559 PolarHBondContact O-N 2.81Å; I200-P561 HydrophobicContact CD1-CG 4.19Å
201R96Very high92.8Very high13 Ų1325.9 Ų25.95%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-122.6132.2169.9-60.3-62.5-62.6-87.91.4109.7L247 L248 L250 L544 Y556 R557R201-L247 HydrophobicContact CB-CD1 4.22Å; R201-L247 HydrophobicContact CG-CD1 3.46Å; R201-L247 VanDerWaalsContact CG-CD1 3.46Å; R201-L248 PolarHBondContact N-O 3.31Å; R201-L250 PolarHBondContact O-N 3.38Å; R201-L544 HydrophobicContact CB-CD1 4.11Å; R201-Y556 HydrophobicContact CB-CD1 4.12Å; R201-Y556 PolarHBondContact NE-O 2.9Å; R201-Y556 PolarHBondContact NH2-O 2.77Å; R201-R557 VanDerWaalsContact CA-O 3.28Å; R201-R557 WeakPolarHBondContact CA-O 3.25Å; R201-R557 VanDerWaalsContact CD-O 3.24Å; R201-R557 WeakPolarHBondContact CD-O 3.34Å; R201-R557 PolarHBondContact NE-O 2.8Å
202C95.4Very high93Very high0 Ų025.9 Ų25.90%015%0.151CC..EExtended strand (participates in β ladder)trans-144.8154.2178.472.80000111.6A212 L250 Y556 R557C202-A212 HydrophobicContact CB-CB 3.87Å; C202-A212 WeakPolarHBondContact SG-CB 3.21Å; C202-L250 HydrophobicContact CB-CB 3.83Å; C202-L250 HydrophobicContact CB-CD1 4.15Å; C202-L250 HydrophobicContact CB-CG 4.46Å; C202-Y556 VanDerWaalsContact C-CD1 3.42Å; C202-Y556 CarbonylContact O-C 3.48Å; C202-Y556 WeakPolarHBondContact O-CA 3.32Å; C202-R557 PolarHBondContact N-O 2.72Å; C202-R557 PolarHBondContact O-N 2.77Å
203P92.6Very high93.2Very high11 Ų1128 Ų287%0.07117%0.165CC..  trans-64.2169.6165.630-36.6000111.4N206 A208 L250 M255 Y556P203-N206 WeakPolarHBondContact CG-ND2 3.44Å; P203-A208 HydrophobicContact CG-CB 4.04Å; P203-L250 WeakPolarHBondContact CD-O 3.36Å; P203-M255 HydrophobicContact CG-SD 4.25Å; P203-Y556 HydrophobicContact CB-CE2 4.18Å
204R90.2Very high93.5Very high163 Ų16329.4 Ų29.462%0.61517%0.169SC*.SBendtrans-101.8153.9178.1-63.7-178.3-173.6-160.1-0.6111.5E209 D555 R557R204-E209 WeakPolarHBondContact CA-OE2 3.29Å; R204-D555 PolarHBondContact NE-O 3.43Å; R204-R557 HydrophobicContact CG-CG 3.79Å
205G86.6Confident93.8Very high76 Ų7628.3 Ų28.378%0.78416%0.163SC*.SBendtrans73.822.2167.600000114.8E209G205-E209 PolarHBondContact N-OE2 2.82Å
206N89.6Confident94.3Very high39 Ų3928.1 Ų28.121%0.20916%0.157CC..SBendtrans-143.1179.7-177.665.322.9000112.7P203 A208 E209 D252P203-N206 WeakPolarHBondContact CG-ND2 3.44Å; N206-A208 PolarHBondContact O-N 3.2Å; N206-A208 WeakPolarHBondContact OD1-CB 3.36Å; N206-A208 PolarHBondContact OD1-N 2.73Å; N206-E209 WeakPolarHBondContact O-CB 3.41Å; N206-E209 PolarHBondContact O-N 2.75Å; N206-E209 PolarHBondContact OD1-N 3.09Å; N206-D252 HydrophobicContact CB-CB 4.31Å; N206-D252 WeakPolarHBondContact CB-OD2 3.37Å; N206-D252 WeakPolarHBondContact ND2-CB 3.49Å
207A93Very high94.6Very high10 Ų1033 Ų338%0.08318%0.175CC..Hα-helixtrans-60.9-33.2-176.600000112.2I166 M180 E209 M210 V211 D252 V586I166-A207 HydrophobicContact CG2-CB 3.86Å; M180-A207 HydrophobicContact CE-CB 3.7Å; M180-A207 HydrophobicContact SD-CB 4.25Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.21Å; A207-M210 PolarHBondContact O-N 3.23Å; A207-V211 WeakPolarHBondContact O-CG2 3.36Å; A207-V211 PolarHBondContact O-N 3.29Å; A207-D252 PolarHBondContact N-OD2 2.97Å; A207-V586 HydrophobicContact CB-CG1 3.74Å
208A95.4Very high94.8Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-61-33.3175.600000113P203 N206 A212 L250 D252 V586P203-A208 HydrophobicContact CG-CB 4.04Å; N206-A208 PolarHBondContact O-N 3.2Å; N206-A208 WeakPolarHBondContact OD1-CB 3.36Å; N206-A208 PolarHBondContact OD1-N 2.73Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.92Å; A208-L250 HydrophobicContact CB-CB 4.06Å; A208-L250 WeakPolarHBondContact O-CD1 3.43Å; A208-D252 HydrophobicContact CB-CB 4.25Å; A208-V586 HydrophobicContact CB-CG2 4.17Å
209E95.8Very high94.7Very high42 Ų4235.6 Ų35.620%0.19619%0.186CC..Hα-helixtrans-66.9-43.1173.6-175.8172.3-16100112.2R204 G205 N206 A207 V211 A212 V213 R557R204-E209 WeakPolarHBondContact CA-OE2 3.29Å; G205-E209 PolarHBondContact N-OE2 2.82Å; N206-E209 WeakPolarHBondContact O-CB 3.41Å; N206-E209 PolarHBondContact O-N 2.75Å; N206-E209 PolarHBondContact OD1-N 3.09Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.21Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 3.48Å; E209-A212 WeakPolarHBondContact O-CB 3.45Å; E209-A212 PolarHBondContact O-N 2.91Å; E209-A212 VanDerWaalsContact O-N 3.16Å; E209-V213 HydrophobicContact CG-CG2 4.43Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 3.23Å; E209-R557 WeakPolarHBondContact OE1-CD 3.35Å; E209-R557 IonicContact OE1-CZ 2.77Å; E209-R557 IonicContact OE1-NE 3.45Å; E209-R557 IonicContact OE1-NH1 3.26Å; E209-R557 PolarHBondContact OE1-NH1 3.35Å
210M96.1Very high94.6Very high66 Ų6637 Ų3733%0.32519%0.19SC..Hα-helixtrans-61.2-44.2177.7-64.7-178.971.900111.3M176 M180 A207 A212 V213 K214M176-M210 HydrophobicContact CG-CE 4.02Å; M176-M210 HydrophobicContact CG-SD 4.18Å; M176-M210 HydrophobicContact SD-CE 4.19Å; M176-M210 HydrophobicContact SD-SD 3.81Å; M180-M210 HydrophobicContact CG-CB 4.05Å; M180-M210 HydrophobicContact CG-CE 4.19Å; M180-M210 HydrophobicContact CG-SD 4.43Å; M180-M210 HydrophobicContact SD-CB 4.39Å; A207-M210 PolarHBondContact O-N 3.23Å; M210-A212 VanDerWaalsContact C-N 3.35Å; M210-A212 PolarHBondContact O-N 3.46Å; M210-V213 PolarHBondContact O-N 3.11Å; M210-K214 WeakPolarHBondContact O-CB 3.45Å; M210-K214 WeakPolarHBondContact O-CG 3.39Å; M210-K214 PolarHBondContact O-N 3.05Å
211V97.9Very high94.3Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-60-44.8173.61750000110.7M180 I183 V184 L187 A207 E209 V213 L215 L250 V586M180-V211 HydrophobicContact SD-CG2 3.62Å; I183-V211 HydrophobicContact CB-CG2 4.4Å; I183-V211 HydrophobicContact CG2-CG1 3.97Å; I183-V211 HydrophobicContact CG2-CG2 3.82Å; V184-V211 HydrophobicContact CG2-CB 4.48Å; V184-V211 HydrophobicContact CG2-CG1 4.1Å; L187-V211 HydrophobicContact CD1-CG1 3.65Å; A207-V211 WeakPolarHBondContact O-CG2 3.36Å; A207-V211 PolarHBondContact O-N 3.29Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 3.48Å; V211-V213 PolarHBondContact O-N 3.3Å; V211-L215 WeakPolarHBondContact O-CB 3.21Å; V211-L215 PolarHBondContact O-N 2.97Å; V211-L250 HydrophobicContact CB-CD1 4.41Å; V211-L250 HydrophobicContact CG1-CD1 4.16Å; V211-L250 HydrophobicContact CG1-CD2 4.48Å; V211-V586 HydrophobicContact CG2-CG2 4.09Å
212A97.9Very high94Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-58.6-49.9-18000000112.3I200 C202 A208 E209 M210 D216 L250 F559I200-A212 HydrophobicContact CG2-CB 4.03Å; C202-A212 HydrophobicContact CB-CB 3.87Å; C202-A212 WeakPolarHBondContact SG-CB 3.21Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.92Å; E209-A212 WeakPolarHBondContact O-CB 3.45Å; E209-A212 PolarHBondContact O-N 2.91Å; E209-A212 VanDerWaalsContact O-N 3.16Å; M210-A212 VanDerWaalsContact C-N 3.35Å; M210-A212 PolarHBondContact O-N 3.46Å; A212-D216 VanDerWaalsContact O-CB 3.27Å; A212-D216 WeakPolarHBondContact O-CB 3.31Å; A212-D216 PolarHBondContact O-N 3.49Å; A212-L250 HydrophobicContact CB-CD1 3.56Å; A212-F559 HydrophobicContact CB-CD2 4.18Å; A212-F559 HydrophobicContact CB-CE2 3.75Å; A212-F559 HydrophobicContact CB-CZ 4.32Å
213V97.1Very high93.6Very high63 Ų6344.3 Ų44.338%0.38223%0.226SC..Hα-helixtrans-65.1-46.9-177.5172.50000110.7E209 M210 V211 K217 F559E209-V213 HydrophobicContact CG-CG2 4.43Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 3.23Å; M210-V213 PolarHBondContact O-N 3.11Å; V211-V213 PolarHBondContact O-N 3.3Å; V213-K217 WeakPolarHBondContact O-CB 3.1Å; V213-K217 PolarHBondContact O-N 2.77Å; V213-F559 HydrophobicContact CG2-CE1 3.91Å; V213-F559 HydrophobicContact CG2-CZ 3.75Å
214K97.8Very high93.3Very high47 Ų4751.6 Ų51.620%0.20425%0.252CS..Hα-helixtrans-65.3-42178.9-75.1-171.7167.6-148.70111.9E177 M180 D181 V184 M210 K217 K218E177-K214 PolarHBondContact O-NZ 3.25Å; M180-K214 HydrophobicContact CB-CD 4.1Å; D181-K214 WeakPolarHBondContact OD1-CD 3.22Å; D181-K214 IonicContact OD1-NZ 2.97Å; D181-K214 PolarHBondContact OD1-NZ 3.38Å; D181-K214 IonicContact OD2-NZ 2.83Å; D181-K214 PolarHBondContact OD2-NZ 2.82Å; V184-K214 HydrophobicContact CG1-CB 4.29Å; V184-K214 HydrophobicContact CG2-CB 3.67Å; M210-K214 WeakPolarHBondContact O-CB 3.45Å; M210-K214 WeakPolarHBondContact O-CG 3.39Å; M210-K214 PolarHBondContact O-N 3.05Å; K214-K217 PolarHBondContact O-N 3.26Å; K214-K218 WeakPolarHBondContact O-CB 3.48Å; K214-K218 PolarHBondContact O-N 3.44Å
215L97.9Very high92.9Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-66.8-43.9177.4-178.361.7000112.1V184 L187 F188 F191 I200 V211 K217 K218 L219 L248V184-L215 HydrophobicContact CG1-CB 4.23Å; V184-L215 HydrophobicContact CG1-CD1 4.31Å; V184-L215 HydrophobicContact CG2-CB 4.48Å; L187-L215 HydrophobicContact CB-CD1 4.3Å; L187-L215 HydrophobicContact CB-CD2 4.2Å; L187-L215 HydrophobicContact CD1-CD2 4.21Å; F188-L215 HydrophobicContact CB-CD1 4.34Å; F191-L215 HydrophobicContact CD2-CD2 4.46Å; F191-L215 HydrophobicContact CE2-CD2 4.17Å; I200-L215 HydrophobicContact CD1-CB 4.47Å; I200-L215 HydrophobicContact CD1-CD2 4.18Å; I200-L215 HydrophobicContact CD1-CG 4.2Å; V211-L215 WeakPolarHBondContact O-CB 3.21Å; V211-L215 PolarHBondContact O-N 2.97Å; L215-K217 VanDerWaalsContact C-N 3.33Å; L215-K217 PolarHBondContact O-N 3.06Å; L215-K218 PolarHBondContact O-N 3.36Å; L215-L219 HydrophobicContact CD1-CD1 4.12Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.93Å; L215-L219 HydrophobicContact CG-CG 4.38Å; L215-L219 WeakPolarHBondContact O-CB 3.23Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.37Å; L215-L219 PolarHBondContact O-N 2.98Å; L215-L248 HydrophobicContact CD2-CD2 3.57Å
216D96.1Very high92Very high17 Ų1747.5 Ų47.59%0.09124%0.237CC..Hα-helixtrans-57.6-46.6174.5177.469.1000110.9I200 A212 L219 R220 F559 P561I200-D216 HydrophobicContact CD1-CB 4.13Å; A212-D216 VanDerWaalsContact O-CB 3.27Å; A212-D216 WeakPolarHBondContact O-CB 3.31Å; A212-D216 PolarHBondContact O-N 3.49Å; D216-L219 PolarHBondContact O-N 2.87Å; D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 WeakPolarHBondContact O-CG 3.48Å; D216-R220 PolarHBondContact O-N 3.2Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NE 3.06Å; D216-R220 PolarHBondContact OD1-NE 3.34Å; D216-R220 VanDerWaalsContact OD1-NE 3.12Å; D216-R220 IonicContact OD1-NH2 3.51Å; D216-R220 PolarHBondContact OD1-NH2 3.16Å; D216-R220 IonicContact OD2-CZ 3.8Å; D216-R220 IonicContact OD2-NE 3.72Å; D216-R220 PolarHBondContact OD2-NE 2.96Å; D216-R220 IonicContact OD2-NH2 3.62Å; D216-R220 PolarHBondContact OD2-NH2 3.24Å; D216-F559 HydrophobicContact CB-CB 4.08Å; D216-F559 HydrophobicContact CB-CD1 4.15Å; D216-F559 HydrophobicContact CB-CG 4.3Å; D216-P561 WeakPolarHBondContact OD1-CA 3.22Å; D216-P561 WeakPolarHBondContact OD1-CD 3.36Å; D216-P561 WeakPolarHBondContact OD1-CG 3.13Å
217K95.3Very high90.9Very high123 Ų12356.9 Ų56.954%0.53527%0.269SS..Hα-helixtrans-57.6-51.7174.7-178.8-178.5173.1-173.50111.6V213 K214 L215 L219 R220 E221V213-K217 WeakPolarHBondContact O-CB 3.1Å; V213-K217 PolarHBondContact O-N 2.77Å; K214-K217 PolarHBondContact O-N 3.26Å; L215-K217 VanDerWaalsContact C-N 3.33Å; L215-K217 PolarHBondContact O-N 3.06Å; K217-L219 PolarHBondContact O-N 3.02Å; K217-R220 WeakPolarHBondContact O-CB 3.3Å; K217-R220 PolarHBondContact O-N 2.6Å; K217-E221 WeakPolarHBondContact CE-OE1 3.24Å; K217-E221 WeakPolarHBondContact CG-OE1 3.31Å; K217-E221 WeakPolarHBondContact O-CG 3.36Å; K217-E221 PolarHBondContact O-N 3.45Å
218K94.9Very high89.9Confident60 Ų6061.6 Ų61.626%0.26129%0.293SS..Hα-helixtrans-61.6-41.4-178.2-169.3168.8-173.41660112.5V184 D185 F188 K214 L215 E221 N222V184-K218 HydrophobicContact CG1-CB 4.44Å; V184-K218 HydrophobicContact CG1-CD 4.03Å; D185-K218 VanDerWaalsContact CG-NZ 3.34Å; D185-K218 IonicContact OD1-NZ 2.82Å; D185-K218 PolarHBondContact OD1-NZ 3.33Å; D185-K218 IonicContact OD2-NZ 3.96Å; F188-K218 HydrophobicContact CB-CD 4.06Å; F188-K218 HydrophobicContact CD2-CB 4.5Å; F188-K218 HydrophobicContact CD2-CD 3.99Å; F188-K218 HydrophobicContact CD2-CG 3.78Å; F188-K218 HydrophobicContact CE2-CG 4.06Å; F188-K218 HydrophobicContact CG-CD 3.95Å; F188-K218 HydrophobicContact CG-CG 4.25Å; K214-K218 WeakPolarHBondContact O-CB 3.48Å; K214-K218 PolarHBondContact O-N 3.44Å; L215-K218 PolarHBondContact O-N 3.36Å; K218-E221 PolarHBondContact O-N 2.92Å; K218-N222 PolarHBondContact O-N 3.38Å; K218-N222 VanDerWaalsContact O-N 3.14Å
219L93.3Very high89.1Confident0 Ų062 Ų620%030%0.296CS..Hα-helixtrans-64.9-43.5175.2-72170.1000111.7F188 P198 I200 L215 D216 K217 N222 L223 F231 P561F188-L219 HydrophobicContact CD2-CD2 3.94Å; F188-L219 HydrophobicContact CD2-CG 4.48Å; F188-L219 HydrophobicContact CE2-CD2 4.07Å; P198-L219 HydrophobicContact CG-CD1 4.19Å; I200-L219 HydrophobicContact CD1-CD1 4.35Å; L215-L219 HydrophobicContact CD1-CD1 4.12Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.93Å; L215-L219 HydrophobicContact CG-CG 4.38Å; L215-L219 WeakPolarHBondContact O-CB 3.23Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.37Å; L215-L219 PolarHBondContact O-N 2.98Å; D216-L219 PolarHBondContact O-N 2.87Å; K217-L219 PolarHBondContact O-N 3.02Å; L219-N222 PolarHBondContact O-N 2.82Å; L219-L223 WeakPolarHBondContact O-CB 3.21Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.37Å; L219-F231 HydrophobicContact CD2-CE1 4.43Å; L219-F231 HydrophobicContact CD2-CE2 3.76Å; L219-F231 HydrophobicContact CD2-CZ 3.52Å; L219-P561 HydrophobicContact CB-CB 3.72Å; L219-P561 HydrophobicContact CB-CG 4.12Å; L219-P561 HydrophobicContact CD1-CB 4.26Å; L219-P561 HydrophobicContact CD1-CG 3.78Å
220R91.4Very high88.6Confident47 Ų4762.5 Ų62.518%0.17730%0.299CS..Hα-helixtrans-62-43.4176.6-74.4171.6-170.2-68.3-10.9112.3D216 K217 L223 R224 D560 P561 M563D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 WeakPolarHBondContact O-CG 3.48Å; D216-R220 PolarHBondContact O-N 3.2Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NE 3.06Å; D216-R220 PolarHBondContact OD1-NE 3.34Å; D216-R220 VanDerWaalsContact OD1-NE 3.12Å; D216-R220 IonicContact OD1-NH2 3.51Å; D216-R220 PolarHBondContact OD1-NH2 3.16Å; D216-R220 IonicContact OD2-CZ 3.8Å; D216-R220 IonicContact OD2-NE 3.72Å; D216-R220 PolarHBondContact OD2-NE 2.96Å; D216-R220 IonicContact OD2-NH2 3.62Å; D216-R220 PolarHBondContact OD2-NH2 3.24Å; K217-R220 WeakPolarHBondContact O-CB 3.3Å; K217-R220 PolarHBondContact O-N 2.6Å; R220-L223 PolarHBondContact O-N 3.2Å; R220-R224 VanDerWaalsContact O-CG 3.29Å; R220-R224 WeakPolarHBondContact O-CG 3.47Å; R220-R224 PolarHBondContact O-N 3.36Å; R220-D560 VanDerWaalsContact CZ-O 3.27Å; R220-D560 PolarHBondContact NH1-O 2.66Å; R220-D560 PolarHBondContact NH2-O 2.89Å; R220-P561 HydrophobicContact CG-CB 4.28Å; R220-P561 WeakPolarHBondContact CG-O 3.27Å; R220-M563 PolarHBondContact NH1-O 2.9Å
221E90.6Very high87.8Confident107 Ų10760.5 Ų60.550%0.529%0.289SS..Hα-helixtrans-61.3-45.5178.7-74.2172.2174.400110.9K217 K218 L223 R224 D225K217-E221 WeakPolarHBondContact CE-OE1 3.24Å; K217-E221 WeakPolarHBondContact CG-OE1 3.31Å; K217-E221 WeakPolarHBondContact O-CG 3.36Å; K217-E221 PolarHBondContact O-N 3.45Å; K218-E221 PolarHBondContact O-N 2.92Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 2.98Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-D225 PolarHBondContact O-N 3.05Å
222N89.8Confident86.1Confident28 Ų2865.4 Ų65.415%0.1532%0.319CS..Hα-helixtrans-65.6-33.6175.6-172.3-95.9000113.4F188 K218 L219 S229 L230 F231F188-N222 HydrophobicContact CE2-CB 4.07Å; F188-N222 HydrophobicContact CZ-CB 4.02Å; K218-N222 PolarHBondContact O-N 3.38Å; K218-N222 VanDerWaalsContact O-N 3.14Å; L219-N222 PolarHBondContact O-N 2.82Å; N222-S229 WeakPolarHBondContact O-CB 3.48Å; N222-S229 PolarHBondContact O-OG 3.13Å; N222-S229 PolarHBondContact OD1-OG 3.07Å; N222-L230 PolarHBondContact OD1-N 2.94Å; N222-F231 VanDerWaalsContact OD1-CD2 3.28Å; N222-F231 WeakPolarHBondContact OD1-CD2 3.44Å
223L86.7Confident83.9Confident32 Ų3267.1 Ų67.117%0.16834%0.336CS..Hα-helixtrans-74-25.6176.4-72.6171.2000113.4V197 L219 R220 E221 F231 P561 K562V197-L223 HydrophobicContact CG1-CD1 4.12Å; V197-L223 HydrophobicContact CG2-CD1 4.24Å; V197-L223 HydrophobicContact CG2-CD2 4.2Å; L219-L223 WeakPolarHBondContact O-CB 3.21Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.37Å; R220-L223 PolarHBondContact O-N 3.2Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 2.98Å; L223-F231 HydrophobicContact CD2-CB 4.1Å; L223-F231 HydrophobicContact CD2-CD2 4.36Å; L223-P561 HydrophobicContact CD1-CB 4.41Å; L223-K562 HydrophobicContact CD1-CG 4.19Å
224R85.9Confident81.4Confident163 Ų16372.5 Ų72.562%0.61536%0.363SS*.Hα-helixtrans-73.5-30.9175.7-76.5174176.9-169.20.2111.9R220 E221 A226 L564R220-R224 VanDerWaalsContact O-CG 3.29Å; R220-R224 WeakPolarHBondContact O-CG 3.47Å; R220-R224 PolarHBondContact O-N 3.36Å; E221-R224 PolarHBondContact O-N 3.23Å; R224-A226 VanDerWaalsContact C-N 3.35Å; R224-A226 PolarHBondContact O-N 3.48Å; R224-L564 HydrophobicContact CG-CD1 4.49Å; R224-L564 HydrophobicContact CG-CD2 3.9Å
225D81.1Confident78.9Confident69 Ų6974.4 Ų74.437%0.36938%0.383SS..  trans-80.480176.4-169.6-6.8000111.3E221 R227 N228 S229E221-D225 PolarHBondContact O-N 3.05Å; D225-R227 PolarHBondContact O-N 3.27Å; D225-R227 PolarHBondContact OD1-N 2.81Å; D225-N228 CarbonylContact O-C 3.23Å; D225-N228 PolarHBondContact O-N 3.32Å; D225-N228 VanDerWaalsContact O-N 3.11Å; D225-N228 PolarHBondContact OD1-N 3.03Å; D225-N228 WeakPolarHBondContact OD2-CB 3.38Å; D225-N228 PolarHBondContact OD2-ND2 3.48Å; D225-S229 WeakPolarHBondContact O-CA 3.38Å; D225-S229 WeakPolarHBondContact O-CB 3.21Å; D225-S229 PolarHBondContact O-N 2.93Å
226A67.3Low76.7Confident85 Ų8577.1 Ų77.170%0.70240%0.396SS*.THydrogen-bonded Turntrans-60.2-16.8-177.100000114.7R224R224-A226 VanDerWaalsContact C-N 3.35Å; R224-A226 PolarHBondContact O-N 3.48Å
227R67.7Low74.3Confident235 Ų23581.2 Ų81.289%0.88742%0.421SS*.THydrogen-bonded Turntrans-88.2-27.5177.8-67.9-169-178.5-142.61.8112.9D225D225-R227 PolarHBondContact O-N 3.27Å; D225-R227 PolarHBondContact OD1-N 2.81Å
228N72.3Confident71.5Confident109 Ų10980.4 Ų80.458%0.58344%0.438SS*.THydrogen-bonded Turntrans-12216.5-177.1-55.2-46.2000113.2D225 L230D225-N228 CarbonylContact O-C 3.23Å; D225-N228 PolarHBondContact O-N 3.32Å; D225-N228 VanDerWaalsContact O-N 3.11Å; D225-N228 PolarHBondContact OD1-N 3.03Å; D225-N228 WeakPolarHBondContact OD2-CB 3.38Å; D225-N228 PolarHBondContact OD2-ND2 3.48Å; N228-L230 PolarHBondContact O-N 3.36Å
229S79.1Confident69.1Low9 Ų981 Ų816%0.06346%0.461CS..  trans-66.9121.9-177.6-1720000110.6N222 D225 F231 T232N222-S229 WeakPolarHBondContact O-CB 3.48Å; N222-S229 PolarHBondContact O-OG 3.13Å; N222-S229 PolarHBondContact OD1-OG 3.07Å; D225-S229 WeakPolarHBondContact O-CA 3.38Å; D225-S229 WeakPolarHBondContact O-CB 3.21Å; D225-S229 PolarHBondContact O-N 2.93Å; S229-F231 PolarHBondContact O-N 2.71Å; S229-T232 WeakPolarHBondContact CB-OG1 3.31Å
230L83.3Confident67Low52 Ų5284.4 Ų84.427%0.27248%0.477SS..THydrogen-bonded Turntrans-75-9.7-178.3-61.5172.4000112Y140 F188 V192 N222 N228Y140-L230 HydrophobicContact CD1-CD1 4.4Å; Y140-L230 HydrophobicContact CD2-CD1 4.31Å; Y140-L230 HydrophobicContact CE1-CD1 3.83Å; Y140-L230 HydrophobicContact CE2-CD1 3.71Å; Y140-L230 HydrophobicContact CE2-CD2 4.03Å; Y140-L230 VanDerWaalsContact CZ-CD1 3.45Å; F188-L230 HydrophobicContact CE1-CD1 3.88Å; F188-L230 HydrophobicContact CZ-CD1 4Å; V192-L230 HydrophobicContact CG1-CB 4.2Å; V192-L230 HydrophobicContact CG1-CD1 4.28Å; V192-L230 HydrophobicContact CG2-CB 4.08Å; V192-L230 HydrophobicContact CG2-CD1 3.78Å; N222-L230 PolarHBondContact OD1-N 2.94Å; N228-L230 PolarHBondContact O-N 3.36Å
231F79.7Confident64.7Low25 Ų2590.2 Ų90.211%0.1150%0.504CS..THydrogen-bonded Turntrans-104.5-1.3-176.6-62-80.5000113.9F188 F191 V192 V197 L219 N222 L223 S229F188-F231 AromaticContact CE2-CE2 3.98Å; F188-F231 HydrophobicContact CE2-CE2 3.98Å; F188-F231 HydrophobicContact CE2-CZ 4.33Å; F188-F231 HydrophobicContact CZ-CE2 4.27Å; F191-F231 HydrophobicContact CB-CE1 4.15Å; F191-F231 HydrophobicContact CB-CZ 4.25Å; F191-F231 WeakPolarHBondContact O-CE1 3.33Å; V192-F231 HydrophobicContact CG2-CE1 4.44Å; V192-F231 HydrophobicContact CG2-CE2 4.27Å; V192-F231 HydrophobicContact CG2-CZ 3.84Å; V197-F231 HydrophobicContact CG2-CB 4.04Å; V197-F231 HydrophobicContact CG2-CD1 3.6Å; V197-F231 HydrophobicContact CG2-CD2 4.16Å; V197-F231 HydrophobicContact CG2-CE1 4.04Å; V197-F231 HydrophobicContact CG2-CG 3.66Å; L219-F231 HydrophobicContact CD2-CE1 4.43Å; L219-F231 HydrophobicContact CD2-CE2 3.76Å; L219-F231 HydrophobicContact CD2-CZ 3.52Å; N222-F231 VanDerWaalsContact OD1-CD2 3.28Å; N222-F231 WeakPolarHBondContact OD1-CD2 3.44Å; L223-F231 HydrophobicContact CD2-CB 4.1Å; L223-F231 HydrophobicContact CD2-CD2 4.36Å; S229-F231 PolarHBondContact O-N 2.71Å
232T63.8Low62.8Low102 Ų10288.4 Ų88.463%0.62650%0.503SS*.THydrogen-bonded Turntrans-133.5-4.1-174.7650000115.7S229S229-T232 WeakPolarHBondContact CB-OG1 3.31Å
233G51.7Low61.1Low36 Ų3697 Ų9737%0.37154%0.539SS..SBendtrans-91169.7-174.100000116.5S235 M236G233-S235 PolarHBondContact O-N 3.48Å; G233-M236 PolarHBondContact O-N 3.21Å
234D44.3Very low60.3Low176 Ų17699.1 Ų99.194%0.94155%0.549SS*.THydrogen-bonded Turntrans-52.1-11.1178.1-89.6-23.8000115.7M236D234-M236 PolarHBondContact O-N 2.83Å
235S45.4Very low60.3Low88 Ų8893.8 Ų93.862%0.61553%0.528SS*.THydrogen-bonded Turntrans-71.2-12.8172.5-84.90000114G233G233-S235 PolarHBondContact O-N 3.48Å
236M51Low60.8Low57 Ų5790.7 Ų90.728%0.28151%0.512SS..SBendtrans-101.1109.2172.1-74.4-77.2129.100109.2G233 D234 A238 Q240G233-M236 PolarHBondContact O-N 3.21Å; D234-M236 PolarHBondContact O-N 2.83Å; M236-A238 PolarHBondContact O-N 3.35Å; M236-Q240 HydrophobicContact SD-CB 4.48Å; M236-Q240 PolarHBondContact SD-OE1 2.57Å
237T45.3Very low62.2Low102 Ų10286.7 Ų86.763%0.62648%0.479SS*.  trans-54.2135.1176.336.80000111.3G239 Q240T237-G239 PolarHBondContact O-N 3.49Å; T237-Q240 PolarHBondContact O-N 3.18Å; T237-Q240 PolarHBondContact OG1-OE1 3.49Å
238A37.6Very low63.6Low106 Ų10675.5 Ų75.588%0.87644%0.436SS*.THydrogen-bonded Turntrans-51.2109.1172.100000110.3M236M236-A238 PolarHBondContact O-N 3.35Å
239G44.8Very low64.8Low73 Ų7370.3 Ų70.375%0.75341%0.409SS*.THydrogen-bonded Turntrans136-12.3-175.100000115.3T237T237-G239 PolarHBondContact O-N 3.49Å
240Q48.3Very low65.7Low72 Ų7269.9 Ų69.934%0.33641%0.406SS..  trans-885.7177.9-80.2172.6-41.300115M236 T237 S242M236-Q240 HydrophobicContact SD-CB 4.48Å; M236-Q240 PolarHBondContact SD-OE1 2.57Å; T237-Q240 PolarHBondContact O-N 3.18Å; T237-Q240 PolarHBondContact OG1-OE1 3.49Å; Q240-S242 PolarHBondContact O-N 2.87Å
241F43.7Very low66.3Low169 Ų16967.5 Ų67.574%0.74139%0.394SS*.  trans-69.798.6172.3-67.8-75.3000109.8F243F241-F243 PolarHBondContact O-N 3.37Å
242S50.4Low67Low68 Ų6866.7 Ų66.748%0.47639%0.39SS..  trans-69.5119.6156.4-174.70000107.9Q240 Q244Q240-S242 PolarHBondContact O-N 2.87Å; S242-Q244 WeakPolarHBondContact CB-O 3.48Å; S242-Q244 PolarHBondContact O-N 3.1Å; S242-Q244 PolarHBondContact OG-N 3.39Å; S242-Q244 PolarHBondContact OG-O 2.82Å
243F54.2Low68.5Low209 Ų20961.9 Ų61.992%0.91736%0.361SS*.SBendtrans-63.1-16.8172.1-70.2-83.6000111.9F241F241-F243 PolarHBondContact O-N 3.37Å
244Q69Low70.4Confident77 Ų7762.2 Ų62.236%0.3635%0.354SS..SBendtrans-115.5125.1176.1-65.7-169.60.700111.2S242S242-Q244 WeakPolarHBondContact CB-O 3.48Å; S242-Q244 PolarHBondContact O-N 3.1Å; S242-Q244 PolarHBondContact OG-N 3.39Å; S242-Q244 PolarHBondContact OG-O 2.82Å
245R85.8Confident72.6Confident51 Ų5156.9 Ų56.919%0.19232%0.324CS..PPolyproline II helixtrans-74.1139177.6-68169.765-166.91.8110V197 P198 D560V197-R245 PolarHBondContact O-NE 3.39Å; P198-R245 PolarHBondContact O-NH2 2.64Å; R245-D560 IonicContact CZ-OD1 2.82Å; R245-D560 IonicContact CZ-OD2 3.52Å; R245-D560 IonicContact NH1-OD1 3.21Å; R245-D560 PolarHBondContact NH1-OD1 2.98Å; R245-D560 IonicContact NH1-OD2 3.83Å; R245-D560 PolarHBondContact NH1-OD2 3.33Å; R245-D560 IonicContact NH2-OD1 3.92Å; R245-D560 PolarHBondContact NH2-OD1 3.07Å
246P92.3Very high74.8Confident4 Ų453.2 Ų53.23%0.02630%0.298CS..PPolyproline II helixtrans-69148.9175.330.2-34.7000110.7A196 P198 I199 E580 I582A196-P246 HydrophobicContact CB-CG 4.04Å; P198-P246 CarbonylContact C-O 3.46Å; P198-P246 VanDerWaalsContact CA-O 3.22Å; P198-P246 WeakPolarHBondContact CA-O 3.45Å; P198-P246 HydrophobicContact CB-CG 4.49Å; I199-P246 PolarHBondContact N-O 2.9Å; P246-E580 WeakPolarHBondContact CA-O 3.39Å; P246-E580 HydrophobicContact CB-CB 4.14Å; P246-I582 HydrophobicContact CB-CD1 3.79Å; P246-I582 HydrophobicContact CG-CD1 3.95Å
247L95.6Very high76.9Confident0 Ų050.6 Ų50.60%029%0.285CS..EExtended strand (participates in β ladder)trans-85.9120.4169.8171.366.1000109.3I199 R201 V249 L544 M545 F578 E580 A581 I582I199-L247 HydrophobicContact CG2-CD1 4.41Å; I199-L247 CarbonylContact O-C 3.54Å; R201-L247 HydrophobicContact CB-CD1 4.22Å; R201-L247 HydrophobicContact CG-CD1 3.46Å; R201-L247 VanDerWaalsContact CG-CD1 3.46Å; L247-V249 HydrophobicContact CD1-CG2 4.46Å; L247-V249 HydrophobicContact CD2-CG2 3.65Å; L247-V249 HydrophobicContact CG-CG2 3.74Å; L247-L544 HydrophobicContact CD2-CB 3.9Å; L247-M545 HydrophobicContact CD2-CG 4.05Å; L247-F578 HydrophobicContact CB-CB 4.11Å; L247-F578 HydrophobicContact CB-CD1 3.82Å; L247-F578 HydrophobicContact CB-CD2 3.91Å; L247-F578 HydrophobicContact CB-CE1 4.12Å; L247-F578 HydrophobicContact CB-CE2 4.14Å; L247-F578 HydrophobicContact CB-CG 3.7Å; L247-F578 HydrophobicContact CB-CZ 4.27Å; L247-F578 HydrophobicContact CD1-CD2 4.3Å; L247-F578 HydrophobicContact CD1-CE2 3.81Å; L247-F578 HydrophobicContact CD1-CZ 4.05Å; L247-F578 HydrophobicContact CD2-CD2 3.65Å; L247-F578 HydrophobicContact CD2-CE2 3.96Å; L247-F578 HydrophobicContact CD2-CG 4.19Å; L247-F578 HydrophobicContact CG-CD2 4.15Å; L247-F578 HydrophobicContact CG-CE2 4.18Å; L247-F578 HydrophobicContact CG-CG 4.44Å; L247-E580 PolarHBondContact N-O 3.22Å; L247-A581 HydrophobicContact CB-CB 4.47Å; L247-A581 CarbonylContact O-C 3.43Å; L247-A581 VanDerWaalsContact O-CA 3.24Å; L247-A581 WeakPolarHBondContact O-CA 3.5Å; L247-I582 PolarHBondContact O-N 3.09Å
248L98.1Very high79.2Confident0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-88.5114.7165.1175.861.6000109.1F191 P198 I199 I200 R201 L215 L250 I582 F584F191-L248 HydrophobicContact CE2-CD1 4.46Å; F191-L248 HydrophobicContact CE2-CD2 3.8Å; F191-L248 HydrophobicContact CZ-CB 4.16Å; F191-L248 HydrophobicContact CZ-CD1 4.12Å; F191-L248 HydrophobicContact CZ-CD2 3.92Å; F191-L248 HydrophobicContact CZ-CG 4.29Å; P198-L248 HydrophobicContact CB-CB 3.71Å; P198-L248 HydrophobicContact CG-CB 4.14Å; P198-L248 HydrophobicContact CG-CD2 4.37Å; I199-L248 PolarHBondContact O-N 3.38Å; I200-L248 CarbonylContact C-O 3.59Å; I200-L248 WeakPolarHBondContact CA-O 3.22Å; I200-L248 HydrophobicContact CD1-CD2 4.46Å; I200-L248 HydrophobicContact CG1-CB 4.43Å; I200-L248 HydrophobicContact CG1-CD2 4.1Å; I200-L248 HydrophobicContact CG2-CD2 4.08Å; I200-L248 HydrophobicContact CG2-CG 4.38Å; R201-L248 PolarHBondContact N-O 3.31Å; L215-L248 HydrophobicContact CD2-CD2 3.57Å; L248-L250 HydrophobicContact CD1-CD2 3.99Å; L248-L250 HydrophobicContact CD2-CD2 4.04Å; L248-L250 HydrophobicContact CD2-CG 4.3Å; L248-L250 HydrophobicContact CG-CD2 4Å; L248-L250 HydrophobicContact CG-CG 4.16Å; L248-I582 CarbonylContact C-O 3.57Å; L248-I582 VanDerWaalsContact CA-O 3.31Å; L248-I582 WeakPolarHBondContact CA-O 3.22Å; L248-I582 HydrophobicContact CD1-CB 4.18Å; L248-I582 HydrophobicContact CD1-CG2 3.86Å; L248-F584 HydrophobicContact CD1-CB 4.2Å
249V98.2Very high82Confident1 Ų141 Ų411%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-100109.3171.2-177.20000108.2L247 I540 V541 L544 Y556 I582 V583 F584L247-V249 HydrophobicContact CD1-CG2 4.46Å; L247-V249 HydrophobicContact CD2-CG2 3.65Å; L247-V249 HydrophobicContact CG-CG2 3.74Å; V249-I540 HydrophobicContact CG1-CG2 3.92Å; V249-V541 HydrophobicContact CG1-CG2 4.41Å; V249-L544 HydrophobicContact CB-CD1 4.37Å; V249-L544 HydrophobicContact CG1-CD1 3.67Å; V249-L544 HydrophobicContact CG2-CB 4.48Å; V249-L544 HydrophobicContact CG2-CD1 3.84Å; V249-Y556 HydrophobicContact CG1-CE1 4.4Å; V249-I582 PolarHBondContact N-O 3.42Å; V249-V583 WeakPolarHBondContact O-CA 3.45Å; V249-F584 PolarHBondContact O-N 3.47Å
250L98.3Very high84.4Confident0 Ų037.7 Ų37.70%018%0.181CC..EExtended strand (participates in β ladder)trans-87.1131.7170.1-61176.4000109.2I200 R201 C202 P203 A208 V211 A212 L248 F584I200-L250 HydrophobicContact CG2-CD1 3.88Å; I200-L250 HydrophobicContact CG2-CG 4.28Å; R201-L250 PolarHBondContact O-N 3.38Å; C202-L250 HydrophobicContact CB-CB 3.83Å; C202-L250 HydrophobicContact CB-CD1 4.15Å; C202-L250 HydrophobicContact CB-CG 4.46Å; P203-L250 WeakPolarHBondContact CD-O 3.36Å; A208-L250 HydrophobicContact CB-CB 4.06Å; A208-L250 WeakPolarHBondContact O-CD1 3.43Å; V211-L250 HydrophobicContact CB-CD1 4.41Å; V211-L250 HydrophobicContact CG1-CD1 4.16Å; V211-L250 HydrophobicContact CG1-CD2 4.48Å; A212-L250 HydrophobicContact CB-CD1 3.56Å; L248-L250 HydrophobicContact CD1-CD2 3.99Å; L248-L250 HydrophobicContact CD2-CD2 4.04Å; L248-L250 HydrophobicContact CD2-CG 4.3Å; L248-L250 HydrophobicContact CG-CD2 4Å; L248-L250 HydrophobicContact CG-CG 4.16Å; L250-F584 WeakPolarHBondContact CA-O 3.42Å; L250-F584 HydrophobicContact CD2-CB 3.88Å; L250-F584 HydrophobicContact CD2-CD1 3.99Å; L250-F584 HydrophobicContact CD2-CG 4.38Å
251A95.8Very high86.7Confident2 Ų234.3 Ų34.32%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-121.8154.4172.400000109.5M255 F584 V585 V586A251-M255 HydrophobicContact CB-SD 4.31Å; A251-F584 PolarHBondContact N-O 2.87Å; A251-V585 HydrophobicContact CB-CG1 4.49Å; A251-V585 HydrophobicContact CB-CG2 4.31Å; A251-V585 WeakPolarHBondContact O-CA 3.29Å; A251-V586 PolarHBondContact O-N 3.34Å
252D94.3Very high89.2Confident7 Ų726.8 Ų26.84%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-109.4138.5173.4-168.8-72.1000108.4N206 A207 A208 N254 M255N206-D252 HydrophobicContact CB-CB 4.31Å; N206-D252 WeakPolarHBondContact CB-OD2 3.37Å; N206-D252 WeakPolarHBondContact ND2-CB 3.49Å; A207-D252 PolarHBondContact N-OD2 2.97Å; A208-D252 HydrophobicContact CB-CB 4.25Å; D252-N254 PolarHBondContact O-N 3.45Å; D252-N254 VanDerWaalsContact O-N 3.08Å; D252-N254 WeakPolarHBondContact OD1-CB 3.42Å; D252-N254 PolarHBondContact OD1-N 2.75Å; D252-N254 PolarHBondContact OD1-ND2 2.89Å; D252-M255 HydrophobicContact CB-CG 4.47Å; D252-M255 VanDerWaalsContact O-CB 3.27Å; D252-M255 WeakPolarHBondContact O-CB 3.33Å; D252-M255 WeakPolarHBondContact O-CG 3.46Å; D252-M255 PolarHBondContact O-N 2.64Å
253R94.9Very high91.3Very high2 Ų223.6 Ų23.61%0.00811%0.11CC..G310 helixtrans-55.2-28.2179.2177.350.449-157.51.3112.5Y163 M255 D256 M257 P260 V586 G588 E593 F622Y163-R253 HydrophobicContact CD2-CB 3.67Å; Y163-R253 HydrophobicContact CD2-CG 3.66Å; Y163-R253 HydrophobicContact CE2-CB 3.98Å; Y163-R253 HydrophobicContact CE2-CG 3.99Å; Y163-R253 HydrophobicContact CG-CG 4.28Å; R253-M255 PolarHBondContact O-N 3.46Å; R253-D256 PolarHBondContact NH1-O 3.39Å; R253-D256 CarbonylContact O-C 3.56Å; R253-D256 PolarHBondContact O-N 3.3Å; R253-M257 HydrophobicContact CG-SD 4.07Å; R253-P260 VanDerWaalsContact NH1-CG 3.35Å; R253-V586 PolarHBondContact N-O 2.99Å; R253-G588 VanDerWaalsContact CZ-O 3.31Å; R253-G588 PolarHBondContact NE-O 3.25Å; R253-G588 PolarHBondContact NH2-O 3.29Å; R253-E593 IonicContact CZ-OE1 2.9Å; R253-E593 VanDerWaalsContact CZ-OE1 3.23Å; R253-E593 IonicContact CZ-OE2 3.01Å; R253-E593 IonicContact NH1-OE1 3.22Å; R253-E593 PolarHBondContact NH1-OE1 3.25Å; R253-E593 IonicContact NH1-OE2 3.4Å; R253-E593 IonicContact NH2-OE1 3.78Å; R253-E593 PolarHBondContact NH2-OE1 3.02Å; R253-E593 IonicContact NH2-OE2 2.72Å; R253-E593 PolarHBondContact NH2-OE2 2.96Å; R253-F622 HydrophobicContact CG-CE2 4.06Å; R253-F622 HydrophobicContact CG-CZ 4.15Å
254N91.9Very high93.1Very high42 Ų4214 Ų1423%0.2257%0.069CC..G310 helixtrans-57.5-16.7174.5-73.1-56.7000114.9Y163 D252 M257 W486Y163-N254 PolarHBondContact OH-OD1 3.5Å; D252-N254 PolarHBondContact O-N 3.45Å; D252-N254 VanDerWaalsContact O-N 3.08Å; D252-N254 WeakPolarHBondContact OD1-CB 3.42Å; D252-N254 PolarHBondContact OD1-N 2.75Å; D252-N254 PolarHBondContact OD1-ND2 2.89Å; N254-M257 HydrophobicContact CB-CE 4.36Å; N254-M257 WeakPolarHBondContact OD1-CE 3.43Å; N254-W486 WeakPolarHBondContact O-CZ2 3.42Å; N254-W486 PolarHBondContact O-NE1 2.82Å; N254-W486 VanDerWaalsContact OD1-CD1 3.31Å; N254-W486 PolarHBondContact OD1-NE1 3.34Å
255M89.3Confident94.1Very high64 Ų6410.5 Ų10.532%0.3155%0.052SC..G310 helixtrans-74.7-26.4177.8-59.5-173.575.900113.1P203 A251 D252 R253 I540 Y556P203-M255 HydrophobicContact CG-SD 4.25Å; A251-M255 HydrophobicContact CB-SD 4.31Å; D252-M255 HydrophobicContact CB-CG 4.47Å; D252-M255 VanDerWaalsContact O-CB 3.27Å; D252-M255 WeakPolarHBondContact O-CB 3.33Å; D252-M255 WeakPolarHBondContact O-CG 3.46Å; D252-M255 PolarHBondContact O-N 2.64Å; R253-M255 PolarHBondContact O-N 3.46Å; M255-I540 HydrophobicContact CE-CD1 3.38Å; M255-I540 HydrophobicContact CE-CG1 4.48Å; M255-I540 HydrophobicContact SD-CD1 4.2Å; M255-Y556 HydrophobicContact CE-CE2 4.41Å; M255-Y556 WeakPolarHBondContact CE-OH 3.48Å; M255-Y556 PolarHBondContact SD-OH 2.71Å; M255-Y556 VanDerWaalsContact SD-OH 3.42Å
256D92.2Very high94.6Very high12 Ų128.5 Ų8.56%0.0645%0.046CC..  trans-151.299.1-178.6-174.55.4000112R253 A258 T259 P260 P536R253-D256 PolarHBondContact NH1-O 3.39Å; R253-D256 CarbonylContact O-C 3.56Å; R253-D256 PolarHBondContact O-N 3.3Å; D256-A258 PolarHBondContact OD1-N 3.2Å; D256-A258 VanDerWaalsContact OD1-N 3.1Å; D256-T259 VanDerWaalsContact CG-OG1 3.31Å; D256-T259 PolarHBondContact OD1-N 2.94Å; D256-T259 VanDerWaalsContact OD1-N 3.13Å; D256-T259 PolarHBondContact OD1-OG1 2.84Å; D256-T259 WeakPolarHBondContact OD2-CB 3.49Å; D256-T259 PolarHBondContact OD2-OG1 3.36Å; D256-P260 WeakPolarHBondContact O-CD 3.49Å; D256-P536 HydrophobicContact CB-CB 4.19Å; D256-P536 HydrophobicContact CB-CG 4.09Å; D256-P536 WeakPolarHBondContact OD2-CD 3.47Å; D256-P536 WeakPolarHBondContact OD2-CG 3.36Å
257M94.4Very high94.8Very high1 Ų18.3 Ų8.31%0.0055%0.045CC..SBendtrans-92.6-15.7175.4-61.5-52-164.600113.6Y163 R253 N254 L261 I452 I483 W486 F622Y163-M257 HydrophobicContact CE1-CE 4.08Å; Y163-M257 HydrophobicContact CE2-CE 3.73Å; Y163-M257 WeakPolarHBondContact OH-CE 3.48Å; R253-M257 HydrophobicContact CG-SD 4.07Å; N254-M257 HydrophobicContact CB-CE 4.36Å; N254-M257 WeakPolarHBondContact OD1-CE 3.43Å; M257-L261 WeakPolarHBondContact O-CD1 3.29Å; M257-L261 WeakPolarHBondContact O-CG 3.36Å; M257-I452 HydrophobicContact CB-CD1 3.73Å; M257-I452 HydrophobicContact CB-CG1 4.46Å; M257-I483 HydrophobicContact CB-CD1 4.4Å; M257-I483 HydrophobicContact CG-CD1 4.45Å; M257-W486 HydrophobicContact CB-CH2 4.24Å; M257-W486 HydrophobicContact CB-CZ2 4.36Å; M257-W486 HydrophobicContact CB-CZ3 4.48Å; M257-W486 HydrophobicContact CE-CG 4.37Å; M257-W486 HydrophobicContact CG-CD2 3.99Å; M257-W486 HydrophobicContact CG-CE3 4.3Å; M257-W486 HydrophobicContact CG-CH2 3.95Å; M257-W486 HydrophobicContact CG-CZ2 3.6Å; M257-W486 HydrophobicContact CG-CZ3 4.28Å; M257-F622 HydrophobicContact SD-CE1 4.34Å; M257-F622 HydrophobicContact SD-CZ 3.7Å
258A94.9Very high94.9Very high6 Ų68.4 Ų8.45%0.055%0.045CC..SBendtrans-80.6-45.6-174.200000111D256 L261 H262 M419 I452 T453D256-A258 PolarHBondContact OD1-N 3.2Å; D256-A258 VanDerWaalsContact OD1-N 3.1Å; A258-L261 PolarHBondContact O-N 2.94Å; A258-H262 PolarHBondContact O-N 2.9Å; A258-M419 HydrophobicContact CB-CE 4.23Å; A258-I452 HydrophobicContact CB-CG2 4.03Å; A258-T453 HydrophobicContact CB-CG2 4.34Å
259T95Very high94.8Very high1 Ų18.7 Ų8.71%0.0065%0.047CC..G310 helixtrans-57-45.9-177.6-57.50000113.2D256 L261 H262 L535 I592 E593D256-T259 VanDerWaalsContact CG-OG1 3.31Å; D256-T259 PolarHBondContact OD1-N 2.94Å; D256-T259 VanDerWaalsContact OD1-N 3.13Å; D256-T259 PolarHBondContact OD1-OG1 2.84Å; D256-T259 WeakPolarHBondContact OD2-CB 3.49Å; D256-T259 PolarHBondContact OD2-OG1 3.36Å; T259-L261 PolarHBondContact O-N 3.42Å; T259-L261 VanDerWaalsContact O-N 3.11Å; T259-H262 WeakPolarHBondContact O-CB 3.5Å; T259-H262 PolarHBondContact O-N 3.4Å; T259-H262 VanDerWaalsContact O-N 3.16Å; T259-L535 HydrophobicContact CG2-CD1 3.72Å; T259-L535 HydrophobicContact CG2-CD2 4.42Å; T259-I592 HydrophobicContact CG2-CB 3.97Å; T259-I592 HydrophobicContact CG2-CG2 3.87Å; T259-E593 HydrophobicContact CG2-CG 3.97Å
260P95.9Very high94.7Very high4 Ų48.7 Ų8.73%0.0265%0.047CC..G310 helixtrans-52-27.8172.5-35.941.4000116.9R253 D256 F617 A619 F622R253-P260 VanDerWaalsContact NH1-CG 3.35Å; D256-P260 WeakPolarHBondContact O-CD 3.49Å; P260-F617 HydrophobicContact CB-CE2 3.74Å; P260-F617 HydrophobicContact CB-CZ 4.19Å; P260-F617 HydrophobicContact CG-CE2 4.09Å; P260-F617 HydrophobicContact CG-CZ 4.15Å; P260-A619 WeakPolarHBondContact O-CA 3.25Å; P260-A619 WeakPolarHBondContact O-CB 3.45Å; P260-F622 HydrophobicContact CB-CD1 3.42Å; P260-F622 VanDerWaalsContact CB-CD1 3.42Å; P260-F622 HydrophobicContact CB-CE1 3.65Å; P260-F622 HydrophobicContact CB-CG 4.07Å; P260-F622 HydrophobicContact CB-CZ 4.47Å; P260-F622 HydrophobicContact CG-CD1 4.33Å; P260-F622 HydrophobicContact CG-CE1 4.14Å
261L97.2Very high94.6Very high0 Ų08.7 Ų8.70%05%0.047CC..G310 helixtrans-94.3-16.7-175.5-60.8173.5000112M257 A258 T259 R445 L448 I449 I452 F622 M623 L626M257-L261 WeakPolarHBondContact O-CD1 3.29Å; M257-L261 WeakPolarHBondContact O-CG 3.36Å; A258-L261 PolarHBondContact O-N 2.94Å; T259-L261 PolarHBondContact O-N 3.42Å; T259-L261 VanDerWaalsContact O-N 3.11Å; L261-R445 HydrophobicContact CD2-CG 4.47Å; L261-R445 PolarHBondContact O-NE 3.41Å; L261-R445 PolarHBondContact O-NH2 3.17Å; L261-R445 VanDerWaalsContact O-NH2 3.11Å; L261-L448 HydrophobicContact CD1-CB 3.67Å; L261-L448 HydrophobicContact CD1-CD1 3.96Å; L261-I449 HydrophobicContact CB-CD1 4.04Å; L261-I449 HydrophobicContact CB-CG1 3.85Å; L261-I452 HydrophobicContact CD1-CD1 3.83Å; L261-F622 HydrophobicContact CD2-CD1 3.86Å; L261-F622 HydrophobicContact CD2-CE1 4.39Å; L261-F622 HydrophobicContact CG-CD1 4.3Å; L261-F622 HydrophobicContact CG-CE1 4.47Å; L261-M623 HydrophobicContact CD2-CG 3.83Å; L261-M623 HydrophobicContact CD2-SD 3.54Å; L261-M623 VanDerWaalsContact CD2-SD 3.54Å; L261-L626 HydrophobicContact CD2-CD1 4.29Å
262H95Very high94.6Very high11 Ų119 Ų95%0.0515%0.048CC..SBendtrans-64.7132.3-174.4-170.4-130.2000111.7A258 T259 F412 E415 E416 M419 R445 I592A258-H262 PolarHBondContact O-N 2.9Å; T259-H262 WeakPolarHBondContact O-CB 3.5Å; T259-H262 PolarHBondContact O-N 3.4Å; T259-H262 VanDerWaalsContact O-N 3.16Å; H262-F412 AromaticContact CE1-CD2 3.96Å; H262-F412 AromaticContact CE1-CE2 3.58Å; H262-E415 VanDerWaalsContact CD2-CB 3.43Å; H262-E415 WeakPolarHBondContact CD2-CB 3.38Å; H262-E415 IonicContact CD2-OE2 2.71Å; H262-E415 PolarHBondContact CD2-OE2 3.02Å; H262-E415 IonicContact CG-OE2 2.93Å; H262-E415 IonicContact NE2-OE2 3.94Å; H262-E416 IonicContact CE1-OE1 3.35Å; H262-E416 PolarHBondContact CE1-OE1 3.02Å; H262-E416 IonicContact NE2-OE1 3.87Å; H262-M419 HydrophobicContact CB-SD 3.99Å; H262-M419 PolarHBondContact CD2-SD 2.9Å; H262-R445 PolarHBondContact O-NH2 3.23Å; H262-I592 HydrophobicContact CB-CD1 4.2Å
263H95.4Very high94.7Very high2 Ų29.5 Ų9.51%0.0095%0.051CC..  trans-64.8135.9162.7-70.693.5000108.6D273 F412 E415 D442 R445H263-D273 IonicContact CD2-OD2 3.27Å; H263-F412 VanDerWaalsContact O-CD2 3.25Å; H263-F412 WeakPolarHBondContact O-CD2 3.33Å; H263-E415 WeakPolarHBondContact CB-OE2 3.32Å; H263-E415 IonicContact CE1-OE1 3.58Å; H263-E415 IonicContact CG-OE1 2.99Å; H263-E415 IonicContact CG-OE2 3.54Å; H263-E415 PolarHBondContact N-OE2 2.75Å; H263-E415 IonicContact ND1-OE1 2.64Å; H263-E415 PolarHBondContact ND1-OE1 3.43Å; H263-E415 IonicContact ND1-OE2 3.44Å; H263-E415 PolarHBondContact ND1-OE2 2.97Å; H263-D442 IonicContact CE1-OD1 3.55Å; H263-D442 IonicContact NE2-OD1 2.91Å; H263-D442 PolarHBondContact NE2-OD1 3.27Å; H263-R445 PolarHBondContact CD2-NH2 3.25Å; H263-R445 PolarHBondContact NE2-NH1 3.39Å
264T90.6Very high94.8Very high8 Ų810.1 Ų10.15%0.0496%0.055CC..  trans-111.5156.1-173.9177.50000110.8T266 A269 L270 D273 I592T264-T266 PolarHBondContact OG1-N 2.79Å; T264-T266 PolarHBondContact OG1-OG1 3.13Å; T264-A269 HydrophobicContact CG2-CB 3.54Å; T264-A269 WeakPolarHBondContact CG2-O 3.24Å; T264-A269 WeakPolarHBondContact OG1-CB 3.38Å; T264-L270 HydrophobicContact CG2-CB 4.11Å; T264-L270 VanDerWaalsContact CG2-N 3.34Å; T264-L270 WeakPolarHBondContact O-CD1 3.35Å; T264-D273 HydrophobicContact CG2-CB 4.33Å; T264-I592 HydrophobicContact CG2-CD1 4.49Å; T264-I592 HydrophobicContact CG2-CG1 4.48Å
265W92Very high95Very high2 Ų29 Ų91%0.0085%0.049CC..  trans-116.7-0.7-179.7-140.2-125.4000113.9P323 F324 I403 D409 F412 V525 L528 L530W265-P323 CarbonylContact O-C 3.6Å; W265-P323 WeakPolarHBondContact O-CA 3.41Å; W265-F324 PolarHBondContact O-N 3.06Å; W265-I403 HydrophobicContact CH2-CD1 4.33Å; W265-I403 HydrophobicContact CH2-CG2 3.93Å; W265-I403 HydrophobicContact CZ3-CD1 4.45Å; W265-I403 HydrophobicContact CZ3-CG2 4.46Å; W265-D409 HydrophobicContact CH2-CB 3.72Å; W265-D409 HydrophobicContact CZ2-CB 4.27Å; W265-F412 HydrophobicContact CB-CD2 4.4Å; W265-F412 HydrophobicContact CB-CE1 4.37Å; W265-F412 HydrophobicContact CB-CE2 4Å; W265-F412 HydrophobicContact CB-CZ 4.02Å; W265-F412 HydrophobicContact CD2-CD1 4.38Å; W265-F412 HydrophobicContact CD2-CG 4.47Å; W265-F412 HydrophobicContact CE3-CB 4.32Å; W265-F412 HydrophobicContact CE3-CD1 4.44Å; W265-F412 HydrophobicContact CE3-CD2 4.46Å; W265-F412 HydrophobicContact CE3-CG 4.13Å; W265-F412 HydrophobicContact CG-CE1 4.39Å; W265-F412 HydrophobicContact CZ3-CB 4.38Å; W265-V525 HydrophobicContact CH2-CG1 4.34Å; W265-V525 HydrophobicContact CZ2-CB 4.47Å; W265-V525 HydrophobicContact CZ2-CG1 3.35Å; W265-L528 HydrophobicContact CH2-CD1 4.49Å; W265-L528 HydrophobicContact CZ2-CD1 3.89Å; W265-L530 HydrophobicContact CB-CD2 3.8Å; W265-L530 HydrophobicContact CB-CG 4.45Å
266T94.4Very high95.2Very high10 Ų108.9 Ų8.96%0.0615%0.049CC..BIsolated β-bridgetrans-89.6143.9176.959.90000110.7T264 Q268 A269 L270 S322 L530 Q595T264-T266 PolarHBondContact OG1-N 2.79Å; T264-T266 PolarHBondContact OG1-OG1 3.13Å; T266-Q268 PolarHBondContact O-N 3.46Å; T266-A269 PolarHBondContact O-N 3.45Å; T266-A269 WeakPolarHBondContact OG1-CB 3.41Å; T266-L270 WeakPolarHBondContact O-CB 3.24Å; T266-L270 PolarHBondContact O-N 3.5Å; T266-S322 WeakPolarHBondContact CA-O 3.34Å; T266-L530 HydrophobicContact CG2-CD1 3.57Å; T266-Q595 HydrophobicContact CG2-CG 4.18Å
267Y96.9Very high95.3Very high0 Ų08.5 Ų8.50%05%0.047CC..Hα-helixtrans-56.3-48.7-167.5-174.1-144.7000114L270 I271 F315 W316 S322 F324 V327 H392 V395Y267-L270 PolarHBondContact O-N 2.91Å; Y267-I271 HydrophobicContact CD1-CD1 4.32Å; Y267-I271 HydrophobicContact CD2-CD1 3.64Å; Y267-I271 HydrophobicContact CD2-CG1 4.08Å; Y267-I271 HydrophobicContact CE1-CD1 4.11Å; Y267-I271 HydrophobicContact CE2-CD1 3.4Å; Y267-I271 VanDerWaalsContact CE2-CD1 3.4Å; Y267-I271 HydrophobicContact CE2-CG1 3.97Å; Y267-I271 HydrophobicContact CG-CD1 4.11Å; Y267-I271 WeakPolarHBondContact O-CB 3.32Å; Y267-I271 WeakPolarHBondContact O-CD1 3.44Å; Y267-I271 VanDerWaalsContact O-CG1 3.27Å; Y267-I271 WeakPolarHBondContact O-CG1 3.47Å; Y267-I271 PolarHBondContact O-N 3.31Å; Y267-F315 HydrophobicContact CE1-CE1 4.19Å; Y267-W316 AromaticContact CD1-CE3 3.91Å; Y267-W316 HydrophobicContact CD1-CE3 3.91Å; Y267-W316 AromaticContact CD1-CZ3 3.59Å; Y267-W316 HydrophobicContact CD1-CZ3 3.59Å; Y267-W316 AromaticContact CE1-CE3 3.75Å; Y267-W316 HydrophobicContact CE1-CE3 3.75Å; Y267-W316 AromaticContact CE1-CZ3 3.63Å; Y267-W316 HydrophobicContact CE1-CZ3 3.63Å; Y267-W316 HydrophobicContact CG-CZ3 4.32Å; Y267-S322 PolarHBondContact N-O 2.63Å; Y267-F324 HydrophobicContact CD2-CD2 4.23Å; Y267-V327 HydrophobicContact CD1-CG1 3.74Å; Y267-V327 HydrophobicContact CD1-CG2 4.21Å; Y267-V327 HydrophobicContact CD2-CG1 4.02Å; Y267-V327 HydrophobicContact CE1-CG1 3.82Å; Y267-V327 HydrophobicContact CE2-CG1 4.08Å; Y267-V327 HydrophobicContact CG-CB 4.37Å; Y267-V327 HydrophobicContact CG-CG1 3.86Å; Y267-V327 HydrophobicContact CG-CG2 4Å; Y267-H392 AromaticContact CE1-ND1 3.74Å; Y267-H392 AromaticContact CZ-ND1 3.84Å; Y267-H392 PolarHBondContact OH-ND1 3.12Å; Y267-V395 HydrophobicContact CE2-CG1 4.26Å
268Q97.1Very high95.2Very high2 Ų210.7 Ų10.71%0.0096%0.057CC..Hα-helixtrans-65.6-47.1-179.6176.6172.540.100113.1E147 T266 L270 H272 F277 W316 K320 Y591E147-Q268 PolarHBondContact OE1-NE2 2.71Å; T266-Q268 PolarHBondContact O-N 3.46Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 2.87Å; Q268-H272 PolarHBondContact O-N 3.22Å; Q268-H272 VanDerWaalsContact O-N 3.09Å; Q268-F277 HydrophobicContact CG-CE1 4.49Å; Q268-W316 HydrophobicContact CB-CH2 3.64Å; Q268-W316 HydrophobicContact CB-CZ2 4Å; Q268-W316 HydrophobicContact CG-CH2 3.88Å; Q268-W316 HydrophobicContact CG-CZ2 3.86Å; Q268-K320 HydrophobicContact CB-CB 4.11Å; Q268-K320 WeakPolarHBondContact CB-O 3.44Å; Q268-K320 PolarHBondContact N-O 3.37Å; Q268-Y591 VanDerWaalsContact CD-CD1 3.42Å; Q268-Y591 VanDerWaalsContact CD-CE1 3.41Å; Q268-Y591 HydrophobicContact CG-CD1 3.68Å; Q268-Y591 HydrophobicContact CG-CD2 4.28Å; Q268-Y591 HydrophobicContact CG-CE1 3.85Å; Q268-Y591 HydrophobicContact CG-CE2 4.4Å; Q268-Y591 HydrophobicContact CG-CG 3.91Å
269A96.2Very high95.2Very high5 Ų511.7 Ų11.74%0.0416%0.062CC..Hα-helixtrans-67.2-36.1-179.400000110.6T264 T266 H272 D273 I592T264-A269 HydrophobicContact CG2-CB 3.54Å; T264-A269 WeakPolarHBondContact CG2-O 3.24Å; T264-A269 WeakPolarHBondContact OG1-CB 3.38Å; T266-A269 PolarHBondContact O-N 3.45Å; T266-A269 WeakPolarHBondContact OG1-CB 3.41Å; A269-H272 WeakPolarHBondContact O-CB 3.17Å; A269-H272 PolarHBondContact O-N 3.46Å; A269-D273 PolarHBondContact O-N 3.22Å; A269-I592 HydrophobicContact CB-CG1 4.15Å
270L96.1Very high95.2Very high2 Ų212 Ų121%0.016%0.064CC..Hα-helixtrans-71-41.6179.9-176.657.4000111.7T264 T266 Y267 Q268 H272 D273 V274 F324 V399 I403T264-L270 HydrophobicContact CG2-CB 4.11Å; T264-L270 VanDerWaalsContact CG2-N 3.34Å; T264-L270 WeakPolarHBondContact O-CD1 3.35Å; T266-L270 WeakPolarHBondContact O-CB 3.24Å; T266-L270 PolarHBondContact O-N 3.5Å; Y267-L270 PolarHBondContact O-N 2.91Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 2.87Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 3.31Å; L270-D273 PolarHBondContact O-N 2.89Å; L270-V274 HydrophobicContact CD1-CG1 3.81Å; L270-V274 WeakPolarHBondContact O-CG2 3.29Å; L270-V274 PolarHBondContact O-N 2.9Å; L270-F324 HydrophobicContact CD2-CB 4.07Å; L270-F324 HydrophobicContact CD2-CD2 4.17Å; L270-F324 HydrophobicContact CD2-CG 4.03Å; L270-V399 HydrophobicContact CD2-CG1 3.43Å; L270-V399 VanDerWaalsContact CD2-CG1 3.43Å; L270-V399 HydrophobicContact CG-CG1 3.64Å; L270-I403 HydrophobicContact CD2-CD1 3.91Å; L270-I403 HydrophobicContact CD2-CG1 4.36Å
271I97.1Very high95.1Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-54.8-46.3169.6-73.4162.7000110.3Y267 D273 L275 F277 V282 L309 W316 V395 V399Y267-I271 HydrophobicContact CD1-CD1 4.32Å; Y267-I271 HydrophobicContact CD2-CD1 3.64Å; Y267-I271 HydrophobicContact CD2-CG1 4.08Å; Y267-I271 HydrophobicContact CE1-CD1 4.11Å; Y267-I271 HydrophobicContact CE2-CD1 3.4Å; Y267-I271 VanDerWaalsContact CE2-CD1 3.4Å; Y267-I271 HydrophobicContact CE2-CG1 3.97Å; Y267-I271 HydrophobicContact CG-CD1 4.11Å; Y267-I271 WeakPolarHBondContact O-CB 3.32Å; Y267-I271 WeakPolarHBondContact O-CD1 3.44Å; Y267-I271 VanDerWaalsContact O-CG1 3.27Å; Y267-I271 WeakPolarHBondContact O-CG1 3.47Å; Y267-I271 PolarHBondContact O-N 3.31Å; I271-D273 VanDerWaalsContact C-N 3.29Å; I271-D273 PolarHBondContact O-N 3.13Å; I271-L275 HydrophobicContact CG2-CB 4.45Å; I271-L275 HydrophobicContact CG2-CD1 4.35Å; I271-L275 WeakPolarHBondContact O-CA 3.27Å; I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 PolarHBondContact O-N 3.04Å; I271-F277 HydrophobicContact CG2-CB 3.87Å; I271-F277 HydrophobicContact CG2-CD1 4.1Å; I271-F277 HydrophobicContact CG2-CD2 4.16Å; I271-F277 HydrophobicContact CG2-CG 3.8Å; I271-V282 HydrophobicContact CG2-CG2 3.69Å; I271-L309 HydrophobicContact CD1-CD1 4.35Å; I271-W316 HydrophobicContact CD1-CH2 3.98Å; I271-W316 HydrophobicContact CD1-CZ3 3.65Å; I271-V395 HydrophobicContact CD1-CG1 3.6Å; I271-V395 HydrophobicContact CG1-CG1 3.76Å; I271-V399 HydrophobicContact CG1-CG2 3.91Å
272H96.7Very high95Very high9 Ų916.9 Ų16.94%0.0428%0.081CC..Hα-helixtrans-64.6-32.5179.6-169.5-125000113.8Q268 A269 L270 F277 Y591 F617 N618Q268-H272 PolarHBondContact O-N 3.22Å; Q268-H272 VanDerWaalsContact O-N 3.09Å; A269-H272 WeakPolarHBondContact O-CB 3.17Å; A269-H272 PolarHBondContact O-N 3.46Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 3.31Å; H272-F277 HydrophobicContact CB-CD1 3.83Å; H272-F277 AromaticContact CD2-CD1 3.76Å; H272-F277 PolarHBondContact CD2-O 2.99Å; H272-Y591 HydrophobicContact CB-CD2 3.63Å; H272-Y591 HydrophobicContact CB-CE2 3.95Å; H272-Y591 AromaticContact CD2-CE2 3.8Å; H272-Y591 AromaticContact CG-CD2 3.54Å; H272-Y591 AromaticContact CG-CE2 3.69Å; H272-Y591 AromaticContact ND1-CD2 3.59Å; H272-F617 PolarHBondContact CE1-O 3.04Å; H272-N618 PolarHBondContact CE1-N 3.45Å; H272-N618 VanDerWaalsContact O-CB 3.24Å; H272-N618 WeakPolarHBondContact O-CB 3.25Å; H272-N618 PolarHBondContact O-ND2 3.29Å
273D96.4Very high94.9Very high17 Ų1719.4 Ų19.49%0.0919%0.094CC..Hα-helixtrans-77.9-37.9-178.9-162.542.7000112.6H263 T264 A269 L270 I271 R445 A619H263-D273 IonicContact CD2-OD2 3.27Å; T264-D273 HydrophobicContact CG2-CB 4.33Å; A269-D273 PolarHBondContact O-N 3.22Å; L270-D273 PolarHBondContact O-N 2.89Å; I271-D273 VanDerWaalsContact C-N 3.29Å; I271-D273 PolarHBondContact O-N 3.13Å; D273-R445 IonicContact OD1-CZ 3.36Å; D273-R445 IonicContact OD1-NH1 3.12Å; D273-R445 PolarHBondContact OD1-NH1 2.82Å; D273-R445 IonicContact OD1-NH2 2.71Å; D273-R445 PolarHBondContact OD1-NH2 3.22Å; D273-R445 IonicContact OD2-CZ 3.95Å; D273-R445 IonicContact OD2-NH1 3.2Å; D273-R445 PolarHBondContact OD2-NH1 2.83Å; D273-R445 IonicContact OD2-NH2 3.15Å; D273-R445 PolarHBondContact OD2-NH2 3.34Å; D273-A619 WeakPolarHBondContact OD1-CB 3.37Å
274V95.6Very high94.5Very high15 Ų1520.4 Ų20.49%0.09110%0.099CC..Hα-helixtrans-109.3-18.3-170.8-48.50000114.9L270 V399 H402 L408L270-V274 HydrophobicContact CD1-CG1 3.81Å; L270-V274 WeakPolarHBondContact O-CG2 3.29Å; L270-V274 PolarHBondContact O-N 2.9Å; V274-V399 HydrophobicContact CG2-CB 4.48Å; V274-V399 HydrophobicContact CG2-CG1 4.43Å; V274-V399 HydrophobicContact CG2-CG2 4.07Å; V274-H402 HydrophobicContact CB-CB 3.93Å; V274-H402 HydrophobicContact CG1-CB 4.34Å; V274-H402 HydrophobicContact CG2-CB 4Å; V274-L408 HydrophobicContact CG1-CD1 3.84Å
275L95.5Very high94.1Very high18 Ų1825.1 Ų25.19%0.09412%0.12CC..SBendtrans-116.6161.7179.5-55.4-178.6000111.7I271 F277 V282 M284 V395 A398 V399I271-L275 HydrophobicContact CG2-CB 4.45Å; I271-L275 HydrophobicContact CG2-CD1 4.35Å; I271-L275 WeakPolarHBondContact O-CA 3.27Å; I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 PolarHBondContact O-N 3.04Å; L275-F277 PolarHBondContact O-N 2.83Å; L275-V282 HydrophobicContact CB-CG1 4.08Å; L275-V282 HydrophobicContact CD1-CG1 3.81Å; L275-M284 HydrophobicContact CD1-SD 4.12Å; L275-V395 HydrophobicContact CD1-CG1 4.13Å; L275-A398 HydrophobicContact CD1-CB 4.38Å; L275-A398 HydrophobicContact CD2-CB 4.11Å; L275-V399 HydrophobicContact CD1-CG2 3.84Å; L275-V399 HydrophobicContact CG-CG2 4.26Å
276D93.9Very high92.8Very high62 Ų6230.3 Ų30.333%0.33215%0.145SC..EExtended strand (participates in β ladder)trans-74.690.3172.4-174.4-0.8000109.7H278 V282 M283D276-H278 IonicContact OD1-CE1 3.3Å; D276-H278 PolarHBondContact OD1-CE1 3.11Å; D276-H278 IonicContact OD1-ND1 3.46Å; D276-H278 PolarHBondContact OD1-ND1 3.08Å; D276-V282 CarbonylContact O-C 3.59Å; D276-V282 WeakPolarHBondContact O-CA 3.27Å; D276-M283 HydrophobicContact CB-CB 4.16Å; D276-M283 PolarHBondContact O-N 2.89Å; D276-M283 VanDerWaalsContact OD1-CE 3.22Å; D276-M283 WeakPolarHBondContact OD1-CE 3.35Å; D276-M283 WeakPolarHBondContact OD2-CE 3.41Å
277F95Very high90.8Very high3 Ų333 Ų331%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-120.2110.7-174.6179.8-128.4000111.7Q268 I271 H272 L275 N280 R281 V282 L309 W316 Y591Q268-F277 HydrophobicContact CG-CE1 4.49Å; I271-F277 HydrophobicContact CG2-CB 3.87Å; I271-F277 HydrophobicContact CG2-CD1 4.1Å; I271-F277 HydrophobicContact CG2-CD2 4.16Å; I271-F277 HydrophobicContact CG2-CG 3.8Å; H272-F277 HydrophobicContact CB-CD1 3.83Å; H272-F277 AromaticContact CD2-CD1 3.76Å; H272-F277 PolarHBondContact CD2-O 2.99Å; L275-F277 PolarHBondContact O-N 2.83Å; F277-N280 VanDerWaalsContact CE2-C 3.48Å; F277-N280 VanDerWaalsContact CE2-CA 3.45Å; F277-R281 WeakPolarHBondContact CA-O 3.41Å; F277-R281 WeakPolarHBondContact CD2-O 3.27Å; F277-V282 HydrophobicContact CB-CG2 4.49Å; F277-V282 HydrophobicContact CD2-CG2 3.54Å; F277-V282 HydrophobicContact CE2-CG2 4.11Å; F277-V282 HydrophobicContact CG-CG2 4.31Å; F277-L309 HydrophobicContact CD2-CD1 4.42Å; F277-L309 HydrophobicContact CE2-CD1 3.73Å; F277-L309 HydrophobicContact CZ-CD1 4.2Å; F277-W316 HydrophobicContact CZ-CZ2 4.4Å; F277-Y591 HydrophobicContact CD1-CE2 4.08Å; F277-Y591 AromaticContact CE1-CE2 3.68Å; F277-Y591 HydrophobicContact CE1-CE2 3.68Å; F277-Y591 AromaticContact CE1-CZ 3.85Å
278H93.1Very high88Confident47 Ų4736.5 Ų36.522%0.21821%0.211CC..EExtended strand (participates in β ladder)trans-139.4138.5-178.6-62.696.9000110.1H155 D276 N280 R281 Q621H155-H278 AromaticContact CE1-CD2 3.75Å; D276-H278 IonicContact OD1-CE1 3.3Å; D276-H278 PolarHBondContact OD1-CE1 3.11Å; D276-H278 IonicContact OD1-ND1 3.46Å; D276-H278 PolarHBondContact OD1-ND1 3.08Å; H278-N280 VanDerWaalsContact C-N 3.27Å; H278-N280 PolarHBondContact O-N 2.96Å; H278-R281 PolarHBondContact N-O 2.97Å; H278-R281 WeakPolarHBondContact O-CA 3.31Å; H278-R281 VanDerWaalsContact O-CB 3.29Å; H278-R281 WeakPolarHBondContact O-CB 3.21Å; H278-R281 PolarHBondContact O-N 3.3Å; H278-Q621 PolarHBondContact NE2-NE2 2.92Å
279L93.6Very high85.1Confident28 Ų2839.5 Ų39.515%0.14724%0.242CC..THydrogen-bonded Turntrans50.345.1176.2-57.2179.8000113.4D44 P48 I144 L146 H155 R281D44-L279 HydrophobicContact CB-CD1 3.81Å; D44-L279 WeakPolarHBondContact OD1-CD1 3.36Å; P48-L279 HydrophobicContact CG-CB 4.32Å; P48-L279 HydrophobicContact CG-CD2 4.46Å; I144-L279 HydrophobicContact CD1-CD2 4.08Å; I144-L279 HydrophobicContact CG2-CD2 4.11Å; L146-L279 HydrophobicContact CD2-CD2 4.15Å; H155-L279 HydrophobicContact CB-CD1 4.5Å; H155-L279 HydrophobicContact CB-CD2 4.1Å; L279-R281 PolarHBondContact O-N 2.96Å
280N94.6Very high82.3Confident8 Ų846.2 Ų46.24%0.04328%0.282CS..THydrogen-bonded Turntrans61.625.3-177.1-65.7-19.2000114.9L146 F277 H278 L309L146-N280 PolarHBondContact O-ND2 3.45Å; F277-N280 VanDerWaalsContact CE2-C 3.48Å; F277-N280 VanDerWaalsContact CE2-CA 3.45Å; H278-N280 VanDerWaalsContact C-N 3.27Å; H278-N280 PolarHBondContact O-N 2.96Å; N280-L309 WeakPolarHBondContact CB-O 3.44Å; N280-L309 PolarHBondContact O-N 2.89Å
281R94.5Very high79.4Confident106 Ų10652.9 Ų52.940%0.432%0.318SS..EExtended strand (participates in β ladder)trans-127.2125.3179.9174.9-180-75.4174.17111.3F277 H278 L279 T306 Y307 D308F277-R281 WeakPolarHBondContact CA-O 3.41Å; F277-R281 WeakPolarHBondContact CD2-O 3.27Å; H278-R281 PolarHBondContact N-O 2.97Å; H278-R281 WeakPolarHBondContact O-CA 3.31Å; H278-R281 VanDerWaalsContact O-CB 3.29Å; H278-R281 WeakPolarHBondContact O-CB 3.21Å; H278-R281 PolarHBondContact O-N 3.3Å; L279-R281 PolarHBondContact O-N 2.96Å; R281-T306 HydrophobicContact CG-CG2 3.25Å; R281-Y307 CarbonylContact C-O 3.59Å; R281-Y307 WeakPolarHBondContact CA-O 3.49Å; R281-D308 IonicContact CZ-OD1 3.89Å; R281-D308 IonicContact NE-OD1 3.69Å; R281-D308 PolarHBondContact NE-OD1 3.31Å; R281-D308 IonicContact NH2-OD1 2.52Å; R281-D308 PolarHBondContact NH2-OD1 3.03Å; R281-D308 IonicContact NH2-OD2 2.66Å
282V95Very high76.6Confident0 Ų058.4 Ų58.40%035%0.354CS..EExtended strand (participates in β ladder)trans-95.8127.3174.1-173.70000109I271 L275 D276 F277 M284 T306 Y307 L309I271-V282 HydrophobicContact CG2-CG2 3.69Å; L275-V282 HydrophobicContact CB-CG1 4.08Å; L275-V282 HydrophobicContact CD1-CG1 3.81Å; D276-V282 CarbonylContact O-C 3.59Å; D276-V282 WeakPolarHBondContact O-CA 3.27Å; F277-V282 HydrophobicContact CB-CG2 4.49Å; F277-V282 HydrophobicContact CD2-CG2 3.54Å; F277-V282 HydrophobicContact CE2-CG2 4.11Å; F277-V282 HydrophobicContact CG-CG2 4.31Å; V282-M284 HydrophobicContact CG1-CG 3.79Å; V282-M284 HydrophobicContact CG1-SD 4.28Å; V282-T306 WeakPolarHBondContact O-CA 3.21Å; V282-Y307 PolarHBondContact N-O 3.21Å; V282-Y307 PolarHBondContact O-N 3.21Å; V282-L309 HydrophobicContact CG2-CD1 3.66Å; V282-L309 HydrophobicContact CG2-CG 4.43Å
283M92.5Very high74Confident63 Ų6362.5 Ų62.531%0.3138%0.384SS..EExtended strand (participates in β ladder)trans-105.5119.6172.7-65.7-177.4-81.600109.1D276D276-M283 HydrophobicContact CB-CB 4.16Å; D276-M283 PolarHBondContact O-N 2.89Å; D276-M283 VanDerWaalsContact OD1-CE 3.22Å; D276-M283 WeakPolarHBondContact OD1-CE 3.35Å; D276-M283 WeakPolarHBondContact OD2-CE 3.41Å
284M88.7Confident71.8Confident24 Ų2470.1 Ų70.112%0.11842%0.418CS..EExtended strand (participates in β ladder)trans-119.8135.9178.4-61.5-164.8-75.300110.1L275 V282 K305 Y307 N394 V395 A398L275-M284 HydrophobicContact CD1-SD 4.12Å; V282-M284 HydrophobicContact CG1-CG 3.79Å; V282-M284 HydrophobicContact CG1-SD 4.28Å; M284-K305 PolarHBondContact N-O 3.39Å; M284-K305 PolarHBondContact O-N 3.03Å; M284-Y307 HydrophobicContact CE-CD2 3.4Å; M284-Y307 VanDerWaalsContact CE-CD2 3.4Å; M284-Y307 HydrophobicContact CE-CE2 3.08Å; M284-Y307 HydrophobicContact CE-CG 4.39Å; M284-N394 HydrophobicContact CE-CB 4.07Å; M284-V395 HydrophobicContact CE-CB 4.4Å; M284-V395 HydrophobicContact CE-CG2 3.65Å; M284-V395 HydrophobicContact SD-CG2 4.45Å; M284-A398 HydrophobicContact SD-CB 3.55Å; M284-A398 VanDerWaalsContact SD-CB 3.55Å
285E80.4Confident69.3Low107 Ų10774.9 Ų74.950%0.546%0.459SS..EExtended strand (participates in β ladder)trans-74.4128.7167.6-60.7-157.3163.500108.5G287 K302E285-G287 PolarHBondContact O-N 3.2Å; E285-G287 VanDerWaalsContact O-N 3.1Å; E285-K302 IonicContact OE2-NZ 3.48Å; E285-K302 PolarHBondContact OE2-NZ 3.42Å
286E65.8Low67.1Low111 Ų11178 Ų7852%0.51950%0.495SS..  trans-66.5114.4170.5-159.1167.2-148.600107.7G288 T303E286-G288 PolarHBondContact O-N 2.99Å; E286-G288 VanDerWaalsContact O-N 3.12Å; E286-T303 WeakPolarHBondContact CB-O 3.47Å; E286-T303 PolarHBondContact N-O 3.45Å; E286-T303 PolarHBondContact OE2-OG1 2.94Å
287G51.8Low65.1Low67 Ų6778.4 Ų78.469%0.69151%0.507SS*.  trans-53.7120.4170.200000107.7E285 G289E285-G287 PolarHBondContact O-N 3.2Å; E285-G287 VanDerWaalsContact O-N 3.1Å; G287-G289 VanDerWaalsContact C-N 3.29Å; G287-G289 PolarHBondContact O-N 3.21Å
288G39.2Very low62.9Low73 Ų7389.4 Ų89.475%0.75355%0.549SS*.  trans-57.6102.6168.500000106.5E286 T290E286-G288 PolarHBondContact O-N 2.99Å; E286-G288 VanDerWaalsContact O-N 3.12Å; G288-T290 PolarHBondContact O-N 3.44Å
289G36.4Very low60.6Low64 Ų6493.2 Ų93.266%0.6658%0.578SS**  trans-46.5131.2171.500000107.5G287 D291G287-G289 VanDerWaalsContact C-N 3.29Å; G287-G289 PolarHBondContact O-N 3.21Å; G289-D291 PolarHBondContact O-N 3.12Å
290T35.4Very low58.7Low146 Ų146101.6 Ų101.690%0.89661%0.613SS**  trans-68.356.3172.2460000109.8G288G288-T290 PolarHBondContact O-N 3.44Å
291D35.9Very low56.6Low143 Ų143110.3 Ų110.377%0.76565%0.651SS**  trans-86.8117.5154-95.4-30.8000105.8G289 S293G289-D291 PolarHBondContact O-N 3.12Å; D291-S293 VanDerWaalsContact C-N 3.33Å; D291-S293 PolarHBondContact O-N 3.21Å
292P37.9Very low54.8Low116 Ų116112.2 Ų112.275%0.75366%0.662SS**  trans-60.1102.3172.123.7-29.2000107.3H294P292-H294 PolarHBondContact O-N 3.07Å; P292-H294 VanDerWaalsContact O-N 3.16Å
293S42.7Very low53.3Low95 Ų95116.3 Ų116.366%0.66469%0.687SS**  trans-59.5123.4172.253.40000107.2D291 A295D291-S293 VanDerWaalsContact C-N 3.33Å; D291-S293 PolarHBondContact O-N 3.21Å; S293-A295 PolarHBondContact O-N 3.22Å
294H50.1Low52.7Low177 Ų177119.3 Ų119.382%0.81970%0.698SS**  trans-47.9133.5173.1-76.2-68.1000110P292 G296 A297P292-H294 PolarHBondContact O-N 3.07Å; P292-H294 VanDerWaalsContact O-N 3.16Å; H294-G296 PolarHBondContact O-N 3.18Å; H294-A297 PolarHBondContact O-N 3.24Å
295A43.3Very low52.6Low115 Ų115122.6 Ų122.695%0.9571%0.712SS**THydrogen-bonded Turntrans-49.1111.1-178.900000110.6S293S293-A295 PolarHBondContact O-N 3.22Å
296G49.5Very low53.1Low82 Ų82120.7 Ų120.785%0.84571%0.708SS**THydrogen-bonded Turntrans131.6-6.9177.800000116.7H294H294-G296 PolarHBondContact O-N 3.18Å
297A50.8Low54.5Low71 Ų71116.5 Ų116.559%0.58769%0.687SS**PPolyproline II helixtrans-79.3130.317800000112.6H294H294-A297 PolarHBondContact O-N 3.24Å
298R49.5Very low56.4Low234 Ų234116.6 Ų116.688%0.88367%0.672SS**PPolyproline II helixtrans-50.3144.3170.6-75.1177.8179.2172.8-0.4110.4K300R298-K300 PolarHBondContact O-N 2.98Å
299P45.2Very low58.9Low128 Ų128113.1 Ų113.183%0.83164%0.636SS**PPolyproline II helixtrans-55.9118.8178.121.6-31000109.7K301P299-K301 PolarHBondContact O-N 3.1Å
300K53.8Low61.4Low203 Ų203113 Ų11388%0.88362%0.622SS**PPolyproline II helixtrans-58.5121.9171.9-84.5-175.5176.3177.10107.3R298 K302R298-K300 PolarHBondContact O-N 2.98Å; K300-K302 PolarHBondContact O-N 2.9Å; K300-K302 VanDerWaalsContact O-N 3.08Å
301K50.9Low63.8Low192 Ų192108.3 Ų108.384%0.83560%0.599SS**  trans-57.6113.9172.5-165.8176-175.8-179.30106.8P299 T303P299-K301 PolarHBondContact O-N 3.1Å; K301-T303 PolarHBondContact O-N 2.98Å
302K55.8Low66.3Low145 Ų145105.6 Ų105.663%0.6360%0.596SS**  trans-52.3108.1176-76.3-177168-165.70108.6E285 K300 K304E285-K302 IonicContact OE2-NZ 3.48Å; E285-K302 PolarHBondContact OE2-NZ 3.42Å; K300-K302 PolarHBondContact O-N 2.9Å; K300-K302 VanDerWaalsContact O-N 3.08Å; K302-K304 PolarHBondContact O-N 3.45Å
303T64.2Low68.9Low86 Ų86100.1 Ų100.153%0.52856%0.56SS.*  trans-78.7111.8175.626.40000107.7E286 K301 K305E286-T303 WeakPolarHBondContact CB-O 3.47Å; E286-T303 PolarHBondContact N-O 3.45Å; E286-T303 PolarHBondContact OE2-OG1 2.94Å; K301-T303 PolarHBondContact O-N 2.98Å; T303-K305 PolarHBondContact O-N 3.2Å
304K79.3Confident71.2Confident126 Ų126104.2 Ų104.255%0.54857%0.566SS.*EExtended strand (participates in β ladder)trans-74.5124.3170.3-69.6-169.5175.3-167.10108K302K302-K304 PolarHBondContact O-N 3.45Å
305K87.8Confident73.4Confident94 Ų9496.1 Ų96.141%0.40953%0.528SS..EExtended strand (participates in β ladder)trans-96136.4175.4-165.6166.9172.5-162.50109M284 T303 Y307M284-K305 PolarHBondContact N-O 3.39Å; M284-K305 PolarHBondContact O-N 3.03Å; T303-K305 PolarHBondContact O-N 3.2Å; K305-Y307 HydrophobicContact CB-CE2 4.05Å; K305-Y307 HydrophobicContact CD-CE1 4.3Å; K305-Y307 HydrophobicContact CD-CE2 3.94Å; K305-Y307 WeakPolarHBondContact CD-OH 3.3Å; K305-Y307 VanDerWaalsContact CE-CZ 3.41Å; K305-Y307 WeakPolarHBondContact CE-OH 3.46Å; K305-Y307 HydrophobicContact CG-CD2 4.42Å; K305-Y307 HydrophobicContact CG-CE1 4.47Å; K305-Y307 HydrophobicContact CG-CE2 3.69Å; K305-Y307 PolarHBondContact NZ-OH 2.81Å
306T90.9Very high75.9Confident67 Ų6790.7 Ų90.741%0.41148%0.483SS..EExtended strand (participates in β ladder)trans-116132.1-175.3-61.30000109.3R281 V282R281-T306 HydrophobicContact CG-CG2 3.25Å; V282-T306 WeakPolarHBondContact O-CA 3.21Å
307Y93.3Very high78Confident22 Ų2289.6 Ų89.69%0.08646%0.456CS..EExtended strand (participates in β ladder)trans-124124.4179.2-62.1-87.9000109.7R281 V282 M284 K305 L391 N394R281-Y307 CarbonylContact C-O 3.59Å; R281-Y307 WeakPolarHBondContact CA-O 3.49Å; V282-Y307 PolarHBondContact N-O 3.21Å; V282-Y307 PolarHBondContact O-N 3.21Å; M284-Y307 HydrophobicContact CE-CD2 3.4Å; M284-Y307 VanDerWaalsContact CE-CD2 3.4Å; M284-Y307 HydrophobicContact CE-CE2 3.08Å; M284-Y307 HydrophobicContact CE-CG 4.39Å; K305-Y307 HydrophobicContact CB-CE2 4.05Å; K305-Y307 HydrophobicContact CD-CE1 4.3Å; K305-Y307 HydrophobicContact CD-CE2 3.94Å; K305-Y307 WeakPolarHBondContact CD-OH 3.3Å; K305-Y307 VanDerWaalsContact CE-CZ 3.41Å; K305-Y307 WeakPolarHBondContact CE-OH 3.46Å; K305-Y307 HydrophobicContact CG-CD2 4.42Å; K305-Y307 HydrophobicContact CG-CE1 4.47Å; K305-Y307 HydrophobicContact CG-CE2 3.69Å; K305-Y307 PolarHBondContact NZ-OH 2.81Å; Y307-L391 HydrophobicContact CD1-CB 3.92Å; Y307-L391 HydrophobicContact CD1-CD1 3.93Å; Y307-L391 HydrophobicContact CD1-CG 3.54Å; Y307-L391 HydrophobicContact CE1-CB 4.34Å; Y307-L391 HydrophobicContact CE1-CG 4.39Å; Y307-L391 HydrophobicContact CG-CD1 4.41Å; Y307-L391 HydrophobicContact CG-CG 4.09Å; Y307-N394 HydrophobicContact CE1-CB 4.48Å; Y307-N394 WeakPolarHBondContact OH-CB 3.03Å; Y307-N394 PolarHBondContact OH-ND2 2.92Å; Y307-N394 VanDerWaalsContact OH-ND2 3.14Å
308D91.8Very high80.1Confident69 Ų6992.9 Ų92.937%0.36946%0.457SS..EExtended strand (participates in β ladder)trans-96121.8178.8-61.6-44.7000110.1R281 T310R281-D308 IonicContact CZ-OD1 3.89Å; R281-D308 IonicContact NE-OD1 3.69Å; R281-D308 PolarHBondContact NE-OD1 3.31Å; R281-D308 IonicContact NH2-OD1 2.52Å; R281-D308 PolarHBondContact NH2-OD1 3.03Å; R281-D308 IonicContact NH2-OD2 2.66Å; D308-T310 HydrophobicContact CB-CG2 4.07Å
309L93.1Very high82.3Confident1 Ų181.8 Ų81.81%0.00542%0.416CS..  trans-98.390179.2-68.3170.5000109.6I271 F277 N280 V282 W316 L391I271-L309 HydrophobicContact CD1-CD1 4.35Å; F277-L309 HydrophobicContact CD2-CD1 4.42Å; F277-L309 HydrophobicContact CE2-CD1 3.73Å; F277-L309 HydrophobicContact CZ-CD1 4.2Å; N280-L309 WeakPolarHBondContact CB-O 3.44Å; N280-L309 PolarHBondContact O-N 2.89Å; V282-L309 HydrophobicContact CG2-CD1 3.66Å; V282-L309 HydrophobicContact CG2-CG 4.43Å; L309-W316 HydrophobicContact CB-CD2 4.1Å; L309-W316 HydrophobicContact CB-CG 4.31Å; L309-W316 HydrophobicContact CB-CZ2 4.32Å; L309-W316 HydrophobicContact CD1-CD2 4.37Å; L309-W316 HydrophobicContact CD1-CE3 4.14Å; L309-W316 HydrophobicContact CD1-CH2 3.68Å; L309-W316 HydrophobicContact CD1-CZ2 3.97Å; L309-W316 HydrophobicContact CD1-CZ3 3.8Å; L309-W316 HydrophobicContact CD2-CD2 3.96Å; L309-W316 HydrophobicContact CD2-CE3 3.8Å; L309-W316 HydrophobicContact CD2-CG 4.32Å; L309-W316 HydrophobicContact CD2-CZ3 4.23Å; L309-W316 HydrophobicContact CG-CD2 4.39Å; L309-W316 HydrophobicContact CG-CE3 4.43Å; L309-L391 HydrophobicContact CD2-CD2 3.65Å
310T87.9Confident84.7Confident61 Ų6176.8 Ų76.837%0.37438%0.381SS..  trans-99.6170.1-166.772.50000113.8D308 A312 D313D308-T310 HydrophobicContact CB-CG2 4.07Å; T310-A312 PolarHBondContact O-N 3.35Å; T310-A312 PolarHBondContact OG1-N 2.88Å; T310-D313 WeakPolarHBondContact O-CB 3.41Å; T310-D313 PolarHBondContact O-N 3.36Å
311A86.8Confident86.6Confident48 Ų4867.9 Ų67.940%0.39735%0.347SS..THydrogen-bonded Turntrans-67.5-20.9172.200000113.7D313A311-D313 VanDerWaalsContact C-N 3.28Å
312A87.1Confident88.7Confident85 Ų8559.6 Ų59.670%0.70231%0.313SS*.THydrogen-bonded Turntrans-77.8-17.1176.800000112.7T310 K314T310-A312 PolarHBondContact O-N 3.35Å; T310-A312 PolarHBondContact OG1-N 2.88Å; A312-K314 PolarHBondContact O-N 3.01Å
313D92.4Very high90.5Very high1 Ų154.6 Ų54.61%0.00530%0.295CS..  trans-75.9103.7179-174.1-21.6000110.6T310 A311 F315 W316 Q317 L388 H392T310-D313 WeakPolarHBondContact O-CB 3.41Å; T310-D313 PolarHBondContact O-N 3.36Å; A311-D313 VanDerWaalsContact C-N 3.28Å; D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 2.85Å; D313-F315 PolarHBondContact OD1-N 3.24Å; D313-W316 HydrophobicContact CB-CB 3.77Å; D313-W316 VanDerWaalsContact CG-CB 3.44Å; D313-W316 PolarHBondContact O-N 3.44Å; D313-W316 PolarHBondContact OD1-N 3.4Å; D313-Q317 WeakPolarHBondContact O-CG 3.28Å; D313-Q317 PolarHBondContact O-N 3.29Å; D313-L388 HydrophobicContact CB-CD2 4.37Å; D313-H392 IonicContact OD1-NE2 2.72Å; D313-H392 PolarHBondContact OD1-NE2 2.92Å; D313-H392 IonicContact OD2-CD2 2.72Å; D313-H392 IonicContact OD2-CE1 3.43Å; D313-H392 IonicContact OD2-NE2 3.5Å; D313-H392 PolarHBondContact OD2-NE2 3.45Å
314K92.3Very high91.8Very high181 Ų18150.7 Ų50.779%0.78727%0.271SS*.Hα-helixtrans-66.4-34.7-177.5-65.5-179.1-178.4174.70112.6A312 K318A312-K314 PolarHBondContact O-N 3.01Å; K314-K318 WeakPolarHBondContact O-CB 3.46Å; K314-K318 PolarHBondContact O-N 2.87Å
315F94.9Very high92.4Very high7 Ų745.6 Ų45.63%0.03125%0.251CS..Hα-helixtrans-67.2-49.5178.3-178.1-84.7000109.3Y267 D313 Q317 K318 H319 V327 V331 E334 H392Y267-F315 HydrophobicContact CE1-CE1 4.19Å; D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 2.85Å; D313-F315 PolarHBondContact OD1-N 3.24Å; F315-Q317 PolarHBondContact O-N 3.42Å; F315-K318 PolarHBondContact O-N 2.73Å; F315-H319 AromaticContact CD2-CD2 3.88Å; F315-H319 HydrophobicContact CE1-CB 4.12Å; F315-H319 AromaticContact CE2-CD2 3.66Å; F315-H319 HydrophobicContact CZ-CB 4.29Å; F315-H319 AromaticContact CZ-CD2 3.88Å; F315-H319 PolarHBondContact O-N 3.27Å; F315-V327 HydrophobicContact CE1-CG1 3.91Å; F315-V327 HydrophobicContact CZ-CG1 3.9Å; F315-V331 HydrophobicContact CE1-CG2 3.9Å; F315-V331 HydrophobicContact CE2-CG2 4.03Å; 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 4.32Å; F315-E334 WeakPolarHBondContact CD2-OE1 3.5Å; F315-H392 HydrophobicContact CD1-CB 4.08Å; F315-H392 AromaticContact CD1-CD2 3.25Å; F315-H392 WeakPolarHBondContact CD1-CD2 3.34Å; F315-H392 AromaticContact CD1-CE1 3.61Å; F315-H392 AromaticContact CD1-CG 3.37Å; F315-H392 AromaticContact CD1-ND1 3.59Å; F315-H392 AromaticContact CD1-NE2 3.38Å; F315-H392 WeakPolarHBondContact CD1-NE2 3.23Å; F315-H392 HydrophobicContact CE1-CB 4.03Å; F315-H392 AromaticContact CE1-CG 3.71Å; F315-H392 AromaticContact CE1-ND1 3.87Å; F315-H392 AromaticContact CG-CD2 3.67Å; F315-H392 AromaticContact CG-NE2 3.95Å
316W95.8Very high92.6Very high1 Ų145 Ų450%0.00425%0.249CC..Hα-helixtrans-55.8-51.3176-179.7-116.9000112.2Y267 Q268 I271 F277 L309 D313 K318 H319 K320Y267-W316 AromaticContact CD1-CE3 3.91Å; Y267-W316 HydrophobicContact CD1-CE3 3.91Å; Y267-W316 AromaticContact CD1-CZ3 3.59Å; Y267-W316 HydrophobicContact CD1-CZ3 3.59Å; Y267-W316 AromaticContact CE1-CE3 3.75Å; Y267-W316 HydrophobicContact CE1-CE3 3.75Å; Y267-W316 AromaticContact CE1-CZ3 3.63Å; Y267-W316 HydrophobicContact CE1-CZ3 3.63Å; Y267-W316 HydrophobicContact CG-CZ3 4.32Å; Q268-W316 HydrophobicContact CB-CH2 3.64Å; Q268-W316 HydrophobicContact CB-CZ2 4Å; Q268-W316 HydrophobicContact CG-CH2 3.88Å; Q268-W316 HydrophobicContact CG-CZ2 3.86Å; I271-W316 HydrophobicContact CD1-CH2 3.98Å; I271-W316 HydrophobicContact CD1-CZ3 3.65Å; F277-W316 HydrophobicContact CZ-CZ2 4.4Å; L309-W316 HydrophobicContact CB-CD2 4.1Å; L309-W316 HydrophobicContact CB-CG 4.31Å; L309-W316 HydrophobicContact CB-CZ2 4.32Å; L309-W316 HydrophobicContact CD1-CD2 4.37Å; L309-W316 HydrophobicContact CD1-CE3 4.14Å; L309-W316 HydrophobicContact CD1-CH2 3.68Å; L309-W316 HydrophobicContact CD1-CZ2 3.97Å; L309-W316 HydrophobicContact CD1-CZ3 3.8Å; L309-W316 HydrophobicContact CD2-CD2 3.96Å; L309-W316 HydrophobicContact CD2-CE3 3.8Å; L309-W316 HydrophobicContact CD2-CG 4.32Å; L309-W316 HydrophobicContact CD2-CZ3 4.23Å; L309-W316 HydrophobicContact CG-CD2 4.39Å; L309-W316 HydrophobicContact CG-CE3 4.43Å; D313-W316 HydrophobicContact CB-CB 3.77Å; D313-W316 VanDerWaalsContact CG-CB 3.44Å; D313-W316 PolarHBondContact O-N 3.44Å; D313-W316 PolarHBondContact OD1-N 3.4Å; W316-K318 PolarHBondContact O-N 3.29Å; W316-H319 PolarHBondContact O-N 2.84Å; W316-K320 HydrophobicContact CD2-CB 3.81Å; W316-K320 HydrophobicContact CE3-CB 3.97Å; W316-K320 HydrophobicContact CG-CB 4.47Å; W316-K320 HydrophobicContact CH2-CB 4.07Å; W316-K320 HydrophobicContact CZ2-CB 3.86Å; W316-K320 HydrophobicContact CZ3-CB 4.09Å; W316-K320 WeakPolarHBondContact O-CB 3.01Å; W316-K320 WeakPolarHBondContact O-CG 3.01Å; W316-K320 PolarHBondContact O-N 3Å
317Q94.6Very high92.7Very high59 Ų5941.8 Ų41.828%0.27623%0.23SC..Hα-helixtrans-60.9-32-178.8-70-51.5-47.200113.3D313 F315D313-Q317 WeakPolarHBondContact O-CG 3.28Å; D313-Q317 PolarHBondContact O-N 3.29Å; F315-Q317 PolarHBondContact O-N 3.42Å
318K95.2Very high92.5Very high140 Ų14042.1 Ų42.161%0.60924%0.237SC*.Hα-helixtrans-76.2-43177.9-174.9-180169.9-137.90112.3K314 F315 W316K314-K318 WeakPolarHBondContact O-CB 3.46Å; K314-K318 PolarHBondContact O-N 2.87Å; F315-K318 PolarHBondContact O-N 2.73Å; W316-K318 PolarHBondContact O-N 3.29Å
319H96Very high92.5Very high2 Ų242.2 Ų42.21%0.00924%0.235CC..Hα-helixtrans-111.7-4.6-165.4-70.4-69.1000115.6F315 W316 G321 S322 E326 V327 S330F315-H319 AromaticContact CD2-CD2 3.88Å; F315-H319 HydrophobicContact CE1-CB 4.12Å; F315-H319 AromaticContact CE2-CD2 3.66Å; F315-H319 HydrophobicContact CZ-CB 4.29Å; F315-H319 AromaticContact CZ-CD2 3.88Å; F315-H319 PolarHBondContact O-N 3.27Å; W316-H319 PolarHBondContact O-N 2.84Å; H319-G321 PolarHBondContact O-N 3.46Å; H319-G321 VanDerWaalsContact O-N 3.13Å; H319-S322 PolarHBondContact ND1-OG 3.3Å; H319-S322 WeakPolarHBondContact O-CB 3.4Å; H319-S322 PolarHBondContact O-N 3.46Å; H319-E326 IonicContact CE1-OE1 3.74Å; H319-E326 IonicContact ND1-OE1 3.94Å; H319-V327 HydrophobicContact CB-CG2 3.95Å; H319-S330 PolarHBondContact CE1-OG 3.28Å; H319-S330 PolarHBondContact NE2-OG 2.95Å
320K95.3Very high92.5Very high22 Ų2242.8 Ų42.810%0.09624%0.239CC..THydrogen-bonded Turntrans-53.1-36.2179.565.4-173.9-173.3-169.90113.7E147 Q268 W316E147-K320 IonicContact OE1-NZ 3.15Å; E147-K320 IonicContact OE2-NZ 2.92Å; E147-K320 PolarHBondContact OE2-NZ 3.38Å; Q268-K320 HydrophobicContact CB-CB 4.11Å; Q268-K320 WeakPolarHBondContact CB-O 3.44Å; Q268-K320 PolarHBondContact N-O 3.37Å; W316-K320 HydrophobicContact CD2-CB 3.81Å; W316-K320 HydrophobicContact CE3-CB 3.97Å; W316-K320 HydrophobicContact CG-CB 4.47Å; W316-K320 HydrophobicContact CH2-CB 4.07Å; W316-K320 HydrophobicContact CZ2-CB 3.86Å; W316-K320 HydrophobicContact CZ3-CB 4.09Å; W316-K320 WeakPolarHBondContact O-CB 3.01Å; W316-K320 WeakPolarHBondContact O-CG 3.01Å; W316-K320 PolarHBondContact O-N 3Å
321G94.2Very high92.6Very high17 Ų1740.5 Ų40.518%0.17523%0.225CC..THydrogen-bonded Turntrans-94.6-5.3177.100000115H319 Q595H319-G321 PolarHBondContact O-N 3.46Å; H319-G321 VanDerWaalsContact O-N 3.13Å; G321-Q595 VanDerWaalsContact CA-CD 3.47Å
322S94.4Very high92.7Very high17 Ų1742.5 Ų42.512%0.11923%0.226CC..SBendtrans-73.6150.6-178.7-69.10000111T266 Y267 H319 E326T266-S322 WeakPolarHBondContact CA-O 3.34Å; Y267-S322 PolarHBondContact N-O 2.63Å; H319-S322 PolarHBondContact ND1-OG 3.3Å; H319-S322 WeakPolarHBondContact O-CB 3.4Å; H319-S322 PolarHBondContact O-N 3.46Å; S322-E326 WeakPolarHBondContact CB-OE1 3.36Å; S322-E326 PolarHBondContact OG-OE1 3.24Å
323P93.4Very high93Very high40 Ų4044.9 Ų44.926%0.2622%0.223SC..BIsolated β-bridgetrans-55.9141.2168.1-2232.5000111.6W265 E326 V327 L530W265-P323 CarbonylContact O-C 3.6Å; W265-P323 WeakPolarHBondContact O-CA 3.41Å; P323-E326 WeakPolarHBondContact O-CB 3.15Å; P323-E326 PolarHBondContact O-N 2.78Å; P323-V327 PolarHBondContact O-N 3.11Å; P323-L530 HydrophobicContact CB-CD1 4.46Å; P323-L530 HydrophobicContact CG-CD1 4.02Å; P323-L530 HydrophobicContact CG-CG 4.47Å
324F92.4Very high92.9Very high5 Ų547.7 Ų47.72%0.02224%0.236CC..Hα-helixtrans-53.9-38.7-177.3-175.9-106.7000115W265 Y267 L270 E326 V327 A328 A396 V399 L400 I403W265-F324 PolarHBondContact O-N 3.06Å; Y267-F324 HydrophobicContact CD2-CD2 4.23Å; L270-F324 HydrophobicContact CD2-CB 4.07Å; L270-F324 HydrophobicContact CD2-CD2 4.17Å; L270-F324 HydrophobicContact CD2-CG 4.03Å; F324-E326 VanDerWaalsContact C-N 3.32Å; F324-E326 PolarHBondContact O-N 3.01Å; F324-V327 PolarHBondContact O-N 3.01Å; F324-A328 PolarHBondContact O-N 3.45Å; F324-A396 HydrophobicContact CE2-CB 4.29Å; F324-A396 WeakPolarHBondContact CZ-O 3.37Å; F324-V399 HydrophobicContact CD2-CG1 3.97Å; F324-V399 HydrophobicContact CE1-CG1 4.46Å; F324-V399 HydrophobicContact CE2-CB 3.93Å; F324-V399 HydrophobicContact CE2-CG1 3.53Å; F324-V399 HydrophobicContact CZ-CB 4.17Å; F324-V399 HydrophobicContact CZ-CG1 3.81Å; F324-L400 HydrophobicContact CE1-CB 4.31Å; F324-L400 HydrophobicContact CE1-CD1 4.09Å; F324-L400 HydrophobicContact CZ-CB 4.09Å; F324-I403 HydrophobicContact CD1-CD1 3.48Å; F324-I403 VanDerWaalsContact CD1-CD1 3.48Å; F324-I403 HydrophobicContact CE1-CD1 3.45Å; F324-I403 VanDerWaalsContact CE1-CD1 3.45Å; F324-I403 HydrophobicContact CG-CD1 4.23Å; F324-I403 HydrophobicContact CZ-CD1 4.2Å
325P90.2Very high92.7Very high18 Ų1840.5 Ų40.512%0.11721%0.206CC..Hα-helixtrans-56-44.2174.5-23.430.5000113.4V327 A328 E329 V525P325-V327 VanDerWaalsContact C-N 3.31Å; P325-V327 PolarHBondContact O-N 2.85Å; P325-A328 PolarHBondContact O-N 3.37Å; P325-E329 WeakPolarHBondContact O-CG 3.4Å; P325-E329 PolarHBondContact O-N 2.99Å; P325-E329 VanDerWaalsContact O-N 3.1Å; P325-V525 HydrophobicContact CB-CG1 4.48Å; P325-V525 HydrophobicContact CG-CG1 3.63Å
326E92.4Very high92.5Very high82 Ų8243.7 Ų43.738%0.38322%0.223SC..Hα-helixtrans-65.6-37.5179.5-175.2-166.1132.800110.9H319 S322 P323 F324 E329 S330H319-E326 IonicContact CE1-OE1 3.74Å; H319-E326 IonicContact ND1-OE1 3.94Å; S322-E326 WeakPolarHBondContact CB-OE1 3.36Å; S322-E326 PolarHBondContact OG-OE1 3.24Å; P323-E326 WeakPolarHBondContact O-CB 3.15Å; P323-E326 PolarHBondContact O-N 2.78Å; F324-E326 VanDerWaalsContact C-N 3.32Å; F324-E326 PolarHBondContact O-N 3.01Å; E326-E329 PolarHBondContact O-N 3.42Å; E326-S330 WeakPolarHBondContact O-CB 3.31Å; E326-S330 PolarHBondContact O-N 3.28Å; E326-S330 PolarHBondContact O-OG 3.4Å
327V92.8Very high92.2Very high0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-65-45.7176.6-179.10000110.9Y267 F315 H319 P323 F324 P325 E329 S330 V331Y267-V327 HydrophobicContact CD1-CG1 3.74Å; Y267-V327 HydrophobicContact CD1-CG2 4.21Å; Y267-V327 HydrophobicContact CD2-CG1 4.02Å; Y267-V327 HydrophobicContact CE1-CG1 3.82Å; Y267-V327 HydrophobicContact CE2-CG1 4.08Å; Y267-V327 HydrophobicContact CG-CB 4.37Å; Y267-V327 HydrophobicContact CG-CG1 3.86Å; Y267-V327 HydrophobicContact CG-CG2 4Å; F315-V327 HydrophobicContact CE1-CG1 3.91Å; F315-V327 HydrophobicContact CZ-CG1 3.9Å; H319-V327 HydrophobicContact CB-CG2 3.95Å; P323-V327 PolarHBondContact O-N 3.11Å; F324-V327 PolarHBondContact O-N 3.01Å; P325-V327 VanDerWaalsContact C-N 3.31Å; P325-V327 PolarHBondContact O-N 2.85Å; V327-E329 VanDerWaalsContact C-N 3.32Å; V327-E329 PolarHBondContact O-N 2.91Å; V327-S330 PolarHBondContact O-N 2.92Å; V327-S330 VanDerWaalsContact O-N 3.17Å; V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CG2 3.25Å; V327-V331 PolarHBondContact O-N 2.6Å
328A89.1Confident91.9Very high28 Ų2844.1 Ų44.123%0.23123%0.232CC..Hα-helixtrans-61.9-39.6178.600000112.3F324 P325 Q332 M522F324-A328 PolarHBondContact O-N 3.45Å; P325-A328 PolarHBondContact O-N 3.37Å; A328-Q332 PolarHBondContact O-N 3.15Å; A328-M522 HydrophobicContact CB-CE 3.41Å; A328-M522 VanDerWaalsContact CB-CE 3.41Å
329E91.7Very high91.6Very high72 Ų7243.4 Ų43.434%0.33623%0.226SC..Hα-helixtrans-63-46.7172-68.8-177.6160.300111.3P325 E326 V327 V331 Q332 E333 M522 K526P325-E329 WeakPolarHBondContact O-CG 3.4Å; P325-E329 PolarHBondContact O-N 2.99Å; P325-E329 VanDerWaalsContact O-N 3.1Å; E326-E329 PolarHBondContact O-N 3.42Å; V327-E329 VanDerWaalsContact C-N 3.32Å; V327-E329 PolarHBondContact O-N 2.91Å; E329-V331 PolarHBondContact O-N 3.36Å; E329-Q332 WeakPolarHBondContact O-CB 3.43Å; E329-Q332 PolarHBondContact O-N 3.05Å; E329-Q332 VanDerWaalsContact O-N 3.14Å; E329-E333 WeakPolarHBondContact O-CG 3.41Å; E329-E333 PolarHBondContact O-N 2.75Å; E329-M522 HydrophobicContact CG-CE 3.62Å; E329-M522 HydrophobicContact CG-SD 3.87Å; E329-K526 WeakPolarHBondContact OE1-CE 3.35Å; E329-K526 IonicContact OE1-NZ 2.8Å; E329-K526 PolarHBondContact OE1-NZ 3.14Å
330S93.4Very high91.2Very high13 Ų1346.3 Ų46.39%0.09125%0.25CS..Hα-helixtrans-65.4-36.5-178.2-58.20000113H319 E326 V327 Q332 E333 E334H319-S330 PolarHBondContact CE1-OG 3.28Å; H319-S330 PolarHBondContact NE2-OG 2.95Å; E326-S330 WeakPolarHBondContact O-CB 3.31Å; E326-S330 PolarHBondContact O-N 3.28Å; E326-S330 PolarHBondContact O-OG 3.4Å; V327-S330 PolarHBondContact O-N 2.92Å; V327-S330 VanDerWaalsContact O-N 3.17Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; S330-E333 PolarHBondContact O-N 2.79Å; S330-E334 PolarHBondContact O-N 3.34Å
331V91Very high90.7Very high13 Ų1349.2 Ų49.28%0.07926%0.264CS..Hα-helixtrans-61.9-44.2173.1171.50000110.3F315 V327 E329 E334 L335 H392 T393F315-V331 HydrophobicContact CE1-CG2 3.9Å; F315-V331 HydrophobicContact CE2-CG2 4.03Å; F315-V331 HydrophobicContact CZ-CB 4.38Å; F315-V331 HydrophobicContact CZ-CG2 3.34Å; V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CG2 3.25Å; V327-V331 PolarHBondContact O-N 2.6Å; E329-V331 PolarHBondContact O-N 3.36Å; V331-E334 PolarHBondContact O-N 3Å; V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 2.87Å; V331-H392 HydrophobicContact CG2-CB 4.03Å; V331-T393 WeakPolarHBondContact CG1-OG1 3.37Å
332Q88.6Confident90.2Very high90 Ų9051.3 Ų51.342%0.42127%0.269SS..Hα-helixtrans-65-42.6180-174.457.150.600111.4A328 E329 S330 E334 L335 D336A328-Q332 PolarHBondContact O-N 3.15Å; E329-Q332 WeakPolarHBondContact O-CB 3.43Å; E329-Q332 PolarHBondContact O-N 3.05Å; E329-Q332 VanDerWaalsContact O-N 3.14Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; Q332-E334 PolarHBondContact O-N 2.77Å; Q332-L335 PolarHBondContact O-N 2.92Å; Q332-D336 VanDerWaalsContact NE2-CG 3.3Å; Q332-D336 PolarHBondContact NE2-OD1 3.34Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.14Å; Q332-D336 PolarHBondContact NE2-OD2 3.15Å; Q332-D336 PolarHBondContact O-N 3.18Å
333E92.7Very high89.7Confident134 Ų13455 Ų5563%0.62629%0.288SS*.Hα-helixtrans-59.6-44.2174.4-72179.9178.300112.5E329 S330 D336 A337E329-E333 WeakPolarHBondContact O-CG 3.41Å; E329-E333 PolarHBondContact O-N 2.75Å; S330-E333 PolarHBondContact O-N 2.79Å; E333-D336 PolarHBondContact O-N 3.06Å; E333-A337 VanDerWaalsContact O-CB 3.3Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 2.73Å
334E90.2Very high89.1Confident61 Ų6157.2 Ų57.229%0.28530%0.295SS..Hα-helixtrans-66.5-37.1177.4-75-157.1173.100112.8F315 S330 V331 Q332 Y338 I389F315-E334 VanDerWaalsContact CD2-CD 3.47Å; F315-E334 HydrophobicContact CD2-CG 4.32Å; F315-E334 WeakPolarHBondContact CD2-OE1 3.5Å; S330-E334 PolarHBondContact O-N 3.34Å; V331-E334 PolarHBondContact O-N 3Å; Q332-E334 PolarHBondContact O-N 2.77Å; E334-Y338 WeakPolarHBondContact O-CB 3.18Å; E334-Y338 PolarHBondContact O-N 2.78Å; E334-I389 HydrophobicContact CB-CD1 4.34Å; E334-I389 HydrophobicContact CB-CG1 4.24Å
335L88.8Confident88.4Confident30 Ų3058.4 Ų58.416%0.15730%0.302CS..Hα-helixtrans-64.2-45.3176-178.865.9000111.5V331 Q332 Y338 R339 I389V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 2.87Å; Q332-L335 PolarHBondContact O-N 2.92Å; L335-Y338 PolarHBondContact O-N 2.95Å; L335-R339 WeakPolarHBondContact O-CG 3.22Å; L335-R339 PolarHBondContact O-N 2.89Å; L335-I389 HydrophobicContact CB-CG2 4.14Å; L335-I389 HydrophobicContact CD1-CG2 3.8Å
336D90.4Very high87.9Confident74 Ų7462.6 Ų62.640%0.39632%0.319SS..Hα-helixtrans-69.2-38.3179.1-68.7-29.6000111.4Q332 E333 Y338 R339 A340Q332-D336 VanDerWaalsContact NE2-CG 3.3Å; Q332-D336 PolarHBondContact NE2-OD1 3.34Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.14Å; Q332-D336 PolarHBondContact NE2-OD2 3.15Å; Q332-D336 PolarHBondContact O-N 3.18Å; E333-D336 PolarHBondContact O-N 3.06Å; D336-Y338 VanDerWaalsContact C-N 3.32Å; D336-Y338 PolarHBondContact O-N 2.75Å; D336-R339 PolarHBondContact O-N 2.66Å; D336-R339 IonicContact OD1-NH1 3.42Å; D336-R339 PolarHBondContact OD1-NH1 3.05Å; D336-A340 PolarHBondContact O-N 2.6Å
337A89.4Confident87.4Confident46 Ų4666 Ų6638%0.3833%0.328SS..Hα-helixtrans-62.6-37.8172.100000112.3E333 Q341E333-A337 VanDerWaalsContact O-CB 3.3Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 2.73Å; A337-Q341 WeakPolarHBondContact O-CG 3.2Å; A337-Q341 PolarHBondContact O-N 2.95Å
338Y88Confident86.4Confident23 Ų2368.5 Ų68.59%0.0934%0.341CS..Hα-helixtrans-67.1-44.7174.9175.4-95.2000112.1E334 L335 D336 A340 Q341 E342 K386 I389E334-Y338 WeakPolarHBondContact O-CB 3.18Å; E334-Y338 PolarHBondContact O-N 2.78Å; L335-Y338 PolarHBondContact O-N 2.95Å; D336-Y338 VanDerWaalsContact C-N 3.32Å; D336-Y338 PolarHBondContact O-N 2.75Å; Y338-A340 VanDerWaalsContact C-N 3.31Å; Y338-A340 PolarHBondContact O-N 3.21Å; Y338-Q341 WeakPolarHBondContact O-CB 3.5Å; Y338-Q341 PolarHBondContact O-N 3.28Å; Y338-Q341 VanDerWaalsContact O-N 3.09Å; Y338-E342 HydrophobicContact CE1-CB 4.4Å; Y338-E342 PolarHBondContact O-N 2.97Å; Y338-K386 HydrophobicContact CE1-CB 4.34Å; Y338-K386 HydrophobicContact CE1-CD 4.31Å; Y338-K386 HydrophobicContact CE1-CG 4.02Å; Y338-K386 HydrophobicContact CE2-CB 3.79Å; Y338-K386 HydrophobicContact CE2-CG 4.37Å; Y338-K386 WeakPolarHBondContact OH-CD 3.27Å; Y338-I389 HydrophobicContact CD2-CD1 4.25Å; Y338-I389 HydrophobicContact CG-CD1 3.98Å
339R88.3Confident85.5Confident124 Ų12472.2 Ų72.247%0.46835%0.352SS..Hα-helixtrans-57.6-44.3176.5-74.8171.3174.4169.3-3.4111.8L335 D336 Q341 E342 D343L335-R339 WeakPolarHBondContact O-CG 3.22Å; L335-R339 PolarHBondContact O-N 2.89Å; D336-R339 PolarHBondContact O-N 2.66Å; D336-R339 IonicContact OD1-NH1 3.42Å; D336-R339 PolarHBondContact OD1-NH1 3.05Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 2.9Å; R339-E342 PolarHBondContact O-N 3.42Å; R339-D343 WeakPolarHBondContact O-CB 3.39Å; R339-D343 PolarHBondContact O-N 2.78Å
340A88.1Confident84.5Confident63 Ų6372 Ų7252%0.52136%0.358SS..Hα-helixtrans-61.1-39.1175.600000112.8D336 Y338 E344D336-A340 PolarHBondContact O-N 2.6Å; Y338-A340 VanDerWaalsContact C-N 3.31Å; Y338-A340 PolarHBondContact O-N 3.21Å; A340-E344 PolarHBondContact O-N 3.42Å; A340-E344 VanDerWaalsContact O-N 3.15Å
341Q84.8Confident83.4Confident84 Ų8477 Ų7739%0.39338%0.383SS..Hα-helixtrans-67.7-41.8175-71.4175.9-8.100111.9A337 Y338 R339 E344 V345A337-Q341 WeakPolarHBondContact O-CG 3.2Å; A337-Q341 PolarHBondContact O-N 2.95Å; Y338-Q341 WeakPolarHBondContact O-CB 3.5Å; Y338-Q341 PolarHBondContact O-N 3.28Å; Y338-Q341 VanDerWaalsContact O-N 3.09Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 2.9Å; Q341-E344 PolarHBondContact O-N 2.96Å; Q341-V345 WeakPolarHBondContact O-CG2 3.47Å; Q341-V345 PolarHBondContact O-N 2.75Å
342E83.3Confident81.9Confident60 Ų6078.4 Ų78.428%0.2839%0.389SS..Hα-helixtrans-63.8-43177.7-167.2-171.5164.700111.6Y338 R339 V345 K346Y338-E342 HydrophobicContact CE1-CB 4.4Å; Y338-E342 PolarHBondContact O-N 2.97Å; R339-E342 PolarHBondContact O-N 3.42Å; E342-V345 PolarHBondContact O-N 2.8Å; E342-K346 WeakPolarHBondContact O-CG 3.47Å; E342-K346 PolarHBondContact O-N 3.09Å; E342-K346 WeakPolarHBondContact OE1-CE 3.24Å; E342-K346 IonicContact OE1-NZ 3.11Å; E342-K346 PolarHBondContact OE1-NZ 2.96Å
343D85.1Confident80.5Confident94 Ų9477 Ų7750%0.50340%0.399SS..Hα-helixtrans-65.6-38.1178.4-72.9-19.8000111.9R339 K346 R347R339-D343 WeakPolarHBondContact O-CB 3.39Å; R339-D343 PolarHBondContact O-N 2.78Å; D343-K346 PolarHBondContact O-N 2.74Å; D343-R347 VanDerWaalsContact O-CB 3.24Å; D343-R347 WeakPolarHBondContact O-CB 3.38Å; D343-R347 PolarHBondContact O-N 3.24Å
344E81.6Confident78.8Confident87 Ų8775.7 Ų75.741%0.40740%0.396SS..Hα-helixtrans-66.1-40.3173.3-176.460.6-167.700111.4A340 Q341 R347 L348A340-E344 PolarHBondContact O-N 3.42Å; A340-E344 VanDerWaalsContact O-N 3.15Å; Q341-E344 PolarHBondContact O-N 2.96Å; E344-R347 PolarHBondContact O-N 2.99Å; E344-R347 IonicContact OE2-NH1 3.69Å; E344-L348 HydrophobicContact CG-CD1 4.3Å; E344-L348 WeakPolarHBondContact O-CB 3.49Å; E344-L348 VanDerWaalsContact O-CG 3.26Å; E344-L348 WeakPolarHBondContact O-CG 3.49Å; E344-L348 PolarHBondContact O-N 2.98Å
345V77.7Confident77Confident30 Ų3079 Ų7918%0.18242%0.415CS..Hα-helixtrans-63.7-42.3174.31720000111.3Q341 E342 L348 K349 L382Q341-V345 WeakPolarHBondContact O-CG2 3.47Å; Q341-V345 PolarHBondContact O-N 2.75Å; E342-V345 PolarHBondContact O-N 2.8Å; V345-L348 PolarHBondContact O-N 3.48Å; V345-K349 WeakPolarHBondContact O-CG 3.18Å; V345-K349 PolarHBondContact O-N 3.46Å; V345-L382 HydrophobicContact CG2-CD1 4.13Å
346K79.5Confident75.1Confident106 Ų10680 Ų8046%0.46143%0.433SS..Hα-helixtrans-63.2-43.5174.8-75.9174.3-176.3159.90111.5E342 D343 L348 K349 S350E342-K346 WeakPolarHBondContact O-CG 3.47Å; E342-K346 PolarHBondContact O-N 3.09Å; E342-K346 WeakPolarHBondContact OE1-CE 3.24Å; E342-K346 IonicContact OE1-NZ 3.11Å; E342-K346 PolarHBondContact OE1-NZ 2.96Å; D343-K346 PolarHBondContact O-N 2.74Å; K346-L348 PolarHBondContact O-N 3.25Å; K346-K349 WeakPolarHBondContact O-CB 3.22Å; K346-K349 PolarHBondContact O-N 3.38Å; K346-S350 WeakPolarHBondContact O-CB 2.99Å; K346-S350 PolarHBondContact O-N 2.8Å
347R80.4Confident72.9Confident154 Ų15486.4 Ų86.458%0.58146%0.461SS*.Hα-helixtrans-60.6-45.1176-176.2-173.8179.5-171.82.3111.4D343 E344 S350 I351D343-R347 VanDerWaalsContact O-CB 3.24Å; D343-R347 WeakPolarHBondContact O-CB 3.38Å; D343-R347 PolarHBondContact O-N 3.24Å; E344-R347 PolarHBondContact O-N 2.99Å; E344-R347 IonicContact OE2-NH1 3.69Å; R347-S350 PolarHBondContact O-N 3.29Å; R347-I351 HydrophobicContact CG-CD1 3.87Å; R347-I351 HydrophobicContact CG-CG1 4.43Å; R347-I351 WeakPolarHBondContact O-CB 3.34Å; R347-I351 VanDerWaalsContact O-CG1 3.29Å; R347-I351 WeakPolarHBondContact O-CG1 3.28Å; R347-I351 PolarHBondContact O-N 3.06Å
348L72.1Confident70.8Confident52 Ų5291.1 Ų91.127%0.27248%0.479SS..Hα-helixtrans-60.8-43.8175.5-73.1168.9000111.2E344 V345 K346 S350 M352E344-L348 HydrophobicContact CG-CD1 4.3Å; E344-L348 WeakPolarHBondContact O-CB 3.49Å; E344-L348 VanDerWaalsContact O-CG 3.26Å; E344-L348 WeakPolarHBondContact O-CG 3.49Å; E344-L348 PolarHBondContact O-N 2.98Å; V345-L348 PolarHBondContact O-N 3.48Å; K346-L348 PolarHBondContact O-N 3.25Å; L348-S350 PolarHBondContact O-N 2.99Å; L348-M352 WeakPolarHBondContact O-CB 3.34Å; L348-M352 WeakPolarHBondContact O-CG 3.46Å; L348-M352 PolarHBondContact O-N 3.19Å
349K69.9Low68.8Low106 Ų10699 Ų9946%0.46152%0.517SS..Hα-helixtrans-59.9-43.6174-74.8-178.2176.7-173.20112.6V345 K346 M352V345-K349 WeakPolarHBondContact O-CG 3.18Å; V345-K349 PolarHBondContact O-N 3.46Å; K346-K349 WeakPolarHBondContact O-CB 3.22Å; K346-K349 PolarHBondContact O-N 3.38Å; K349-M352 PolarHBondContact O-N 3.08Å
350S71.9Confident66.8Low68 Ų6896.2 Ų96.248%0.47653%0.527SS..Hα-helixtrans-69.9-42.4-177.4-168.80000112.8K346 R347 L348 M352 G353K346-S350 WeakPolarHBondContact O-CB 2.99Å; K346-S350 PolarHBondContact O-N 2.8Å; R347-S350 PolarHBondContact O-N 3.29Å; L348-S350 PolarHBondContact O-N 2.99Å; S350-M352 PolarHBondContact O-N 2.93Å; S350-M352 VanDerWaalsContact O-N 3.1Å; S350-G353 PolarHBondContact O-N 3.41Å; S350-G353 VanDerWaalsContact O-N 3.11Å
351I70.6Confident64.8Low119 Ų11997.4 Ų97.461%0.6154%0.537SS*.Hα-helixtrans-57.3-26.9173-71169.4000111.4R347R347-I351 HydrophobicContact CG-CD1 3.87Å; R347-I351 HydrophobicContact CG-CG1 4.43Å; R347-I351 WeakPolarHBondContact O-CB 3.34Å; R347-I351 VanDerWaalsContact O-CG1 3.29Å; R347-I351 WeakPolarHBondContact O-CG1 3.28Å; R347-I351 PolarHBondContact O-N 3.06Å
352M58.4Low63.2Low42 Ų42101 Ų10121%0.20756%0.558CS.*THydrogen-bonded Turntrans-923.1-176-64.4179.173.800113.9L348 K349 S350 L354 N368 L372L348-M352 WeakPolarHBondContact O-CB 3.34Å; L348-M352 WeakPolarHBondContact O-CG 3.46Å; L348-M352 PolarHBondContact O-N 3.19Å; K349-M352 PolarHBondContact O-N 3.08Å; S350-M352 PolarHBondContact O-N 2.93Å; S350-M352 VanDerWaalsContact O-N 3.1Å; M352-L354 HydrophobicContact CB-CD1 4.15Å; M352-L354 HydrophobicContact CB-CG 4.39Å; M352-L354 PolarHBondContact O-N 3.29Å; M352-N368 HydrophobicContact CE-CB 3.84Å; M352-L372 HydrophobicContact CE-CB 4.25Å; M352-L372 HydrophobicContact CE-CD1 3.17Å; M352-L372 HydrophobicContact CE-CG 3.43Å; M352-L372 VanDerWaalsContact CE-CG 3.43Å; M352-L372 HydrophobicContact SD-CD1 4.44Å; M352-L372 HydrophobicContact SD-CG 4.16Å
353G59.1Low61.4Low61 Ų61103.5 Ų103.563%0.62958%0.581SS**THydrogen-bonded Turntrans68.518.3174.100000114.9S350 D355S350-G353 PolarHBondContact O-N 3.41Å; S350-G353 VanDerWaalsContact O-N 3.11Å; G353-D355 PolarHBondContact O-N 2.83Å
354L57.7Low59.7Low105 Ų105107.2 Ų107.255%0.5560%0.598SS.*THydrogen-bonded Turntrans-82.47.1-177.9-71.2165.4000114M352 G356M352-L354 HydrophobicContact CB-CD1 4.15Å; M352-L354 HydrophobicContact CB-CG 4.39Å; M352-L354 PolarHBondContact O-N 3.29Å; L354-G356 VanDerWaalsContact C-N 3.25Å; L354-G356 PolarHBondContact O-N 3.02Å
355D51.8Low58.3Low131 Ų131107.5 Ų107.570%0.70160%0.602SS**THydrogen-bonded Turntrans-84.65.9177.3-73.4-30.1000112.9G353G353-D355 PolarHBondContact O-N 2.83Å
356G48.4Very low57.3Low52 Ų52111 Ų11154%0.53663%0.628SS.*SBendtrans-119.9141.2176.400000112.8L354 D358L354-G356 VanDerWaalsContact C-N 3.25Å; L354-G356 PolarHBondContact O-N 3.02Å; G356-D358 PolarHBondContact O-N 2.93Å
357E45.2Very low56.2Low207 Ų207112.4 Ų112.497%0.96764%0.64SS**  trans-63.623.6178.3-63.9-179.4146.500115.1
358D44.6Very low55Low145 Ų145107.8 Ų107.878%0.77563%0.627SS**  trans-101.596.1-173.6-140.5-6.2000111G356 G360G356-D358 PolarHBondContact O-N 2.93Å; D358-G360 PolarHBondContact O-N 3.48Å
359E46.5Very low54.4Low188 Ų188108.9 Ų108.988%0.87964%0.636SS**THydrogen-bonded Turntrans-62.410.4176.9-98.7-175.515600114.6
360G46.2Very low54Low66 Ų66107.1 Ų107.168%0.6864%0.641SS**THydrogen-bonded Turntrans-97.1-9.9-168.600000117.7D358D358-G360 PolarHBondContact O-N 3.48Å
361A46.9Very low53.4Low88 Ų88110.3 Ų110.373%0.72765%0.646SS**  trans-106.528-165.600000116S363A361-S363 VanDerWaalsContact C-N 3.3Å; A361-S363 PolarHBondContact O-N 3.19Å
362I49.5Very low52.8Low161 Ų161107.7 Ų107.783%0.82663%0.633SS**THydrogen-bonded Turntrans-79.3-7.6-175.4-63177000113.3
363S45.8Very low53.1Low111 Ų111109.9 Ų109.978%0.77665%0.649SS**THydrogen-bonded Turntrans-90.5-3.7-165-177.60000117.5A361A361-S363 VanDerWaalsContact C-N 3.3Å; A361-S363 PolarHBondContact O-N 3.19Å
364M50Low53.5Low173 Ų173110.5 Ų110.585%0.85264%0.643SS**SBendtrans-132.532-166.3-76.3-156.9172.500118.2
365L51.5Low53.7Low93 Ų93106.7 Ų106.749%0.48763%0.627SS.*  trans-143.178.3-179.7-69.1172000114.6D367 N368 T369L365-D367 PolarHBondContact O-N 3.31Å; L365-N368 HydrophobicContact CB-CB 4.21Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.45Å
366S56.8Low54.4Low104 Ų104104.6 Ų104.673%0.72762%0.619SS**Hα-helixtrans-68.9-30.417968.90000114.1
367D56.1Low55.5Low135 Ų135105.9 Ų105.972%0.72262%0.62SS**Hα-helixtrans-88.2-23.6-176.3-69.1-12.4000113.6L365L365-D367 PolarHBondContact O-N 3.31Å
368N55.1Low56.9Low57 Ų5797.6 Ų97.631%0.30559%0.585SS.*Hα-helixtrans-85.8-14.2174.6-69.3-22.8000112.9M352 L365 A370 K371 L372M352-N368 HydrophobicContact CE-CB 3.84Å; L365-N368 HydrophobicContact CB-CB 4.21Å; N368-A370 VanDerWaalsContact C-N 3.35Å; N368-A370 PolarHBondContact O-N 2.96Å; N368-K371 PolarHBondContact O-N 3.17Å; N368-L372 WeakPolarHBondContact O-CB 3.31Å; N368-L372 PolarHBondContact O-N 2.93Å
369T60Low58.4Low74 Ų7493.8 Ų93.845%0.45456%0.564SS.*Hα-helixtrans-63.6-40.4178-56.50000111L365 K371 L372 T373L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.45Å; T369-K371 PolarHBondContact O-N 2.97Å; T369-L372 WeakPolarHBondContact O-CB 3.15Å; T369-L372 PolarHBondContact O-N 2.97Å; T369-T373 WeakPolarHBondContact O-CB 3.48Å; T369-T373 PolarHBondContact O-N 2.96Å; T369-T373 PolarHBondContact O-OG1 3.38Å
370A61.3Low60.1Low69 Ų6989 Ų8957%0.5755%0.549SS*.Hα-helixtrans-63.3-40.2178.600000113N368 S374N368-A370 VanDerWaalsContact C-N 3.35Å; N368-A370 PolarHBondContact O-N 2.96Å; A370-S374 VanDerWaalsContact O-CB 3.29Å; A370-S374 WeakPolarHBondContact O-CB 3.46Å; A370-S374 PolarHBondContact O-N 3.08Å
371K60Low61.9Low136 Ų13692.8 Ų92.859%0.59155%0.549SS*.Hα-helixtrans-70.7-35.2174.9-69.6-176.5-178.9177.60112N368 T369 S374 A375N368-K371 PolarHBondContact O-N 3.17Å; T369-K371 PolarHBondContact O-N 2.97Å; K371-S374 PolarHBondContact O-N 3.41Å; K371-A375 WeakPolarHBondContact O-CB 3.48Å; K371-A375 PolarHBondContact O-N 2.72Å
372L57.9Low63.6Low64 Ų6490 Ų9034%0.33552%0.522SS..Hα-helixtrans-64-49.9172.8-120.8170.9000111.4M352 N368 T369 S374 A375 V376M352-L372 HydrophobicContact CE-CB 4.25Å; M352-L372 HydrophobicContact CE-CD1 3.17Å; M352-L372 HydrophobicContact CE-CG 3.43Å; M352-L372 VanDerWaalsContact CE-CG 3.43Å; M352-L372 HydrophobicContact SD-CD1 4.44Å; M352-L372 HydrophobicContact SD-CG 4.16Å; N368-L372 WeakPolarHBondContact O-CB 3.31Å; N368-L372 PolarHBondContact O-N 2.93Å; T369-L372 WeakPolarHBondContact O-CB 3.15Å; T369-L372 PolarHBondContact O-N 2.97Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 2.87Å; L372-A375 PolarHBondContact O-N 3.02Å; L372-V376 HydrophobicContact CD2-CG2 4.1Å; L372-V376 WeakPolarHBondContact O-CB 2.98Å; L372-V376 VanDerWaalsContact O-CG2 3.28Å; L372-V376 WeakPolarHBondContact O-CG2 3.35Å; L372-V376 PolarHBondContact O-N 3.33Å
373T63.5Low65.3Low88 Ų8887.7 Ų87.754%0.5451%0.511SS..Hα-helixtrans-59.3-42.8175.7-55.10000110.4T369 S377T369-T373 WeakPolarHBondContact O-CB 3.48Å; T369-T373 PolarHBondContact O-N 2.96Å; T369-T373 PolarHBondContact O-OG1 3.38Å; T373-S377 WeakPolarHBondContact O-CB 3.43Å; T373-S377 PolarHBondContact O-N 3Å; T373-S377 PolarHBondContact O-OG 3.08Å; T373-S377 VanDerWaalsContact O-OG 3.14Å
374S67.9Low67.3Low73 Ų7386.6 Ų86.651%0.5149%0.493SS..Hα-helixtrans-62.2-47.8175.1-173.30000112.2A370 K371 L372 S377 S378A370-S374 VanDerWaalsContact O-CB 3.29Å; A370-S374 WeakPolarHBondContact O-CB 3.46Å; A370-S374 PolarHBondContact O-N 3.08Å; K371-S374 PolarHBondContact O-N 3.41Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 2.87Å; S374-S377 WeakPolarHBondContact CA-OG 3.35Å; S374-S377 PolarHBondContact O-N 3.45Å; S374-S377 PolarHBondContact O-OG 2.86Å; S374-S378 PolarHBondContact O-N 3.12Å; S374-S378 PolarHBondContact O-OG 3.36Å
375A63.4Low69.1Low26 Ų2681.4 Ų81.422%0.21547%0.466CS..Hα-helixtrans-64.4-45.618000000111.6K371 L372 S377 S378 L379K371-A375 WeakPolarHBondContact O-CB 3.48Å; K371-A375 PolarHBondContact O-N 2.72Å; L372-A375 PolarHBondContact O-N 3.02Å; A375-S377 VanDerWaalsContact C-N 3.33Å; A375-S377 PolarHBondContact O-N 3.4Å; A375-S378 PolarHBondContact O-N 2.8Å; A375-S378 VanDerWaalsContact O-N 3.14Å; A375-S378 PolarHBondContact O-OG 3.45Å; A375-L379 PolarHBondContact O-N 2.93Å
376V65.4Low70.9Confident86 Ų8680.9 Ų80.952%0.52146%0.46SS..Hα-helixtrans-62.9-38.6176.1172.80000111.4L372 S378 L379L372-V376 HydrophobicContact CD2-CG2 4.1Å; L372-V376 WeakPolarHBondContact O-CB 2.98Å; L372-V376 VanDerWaalsContact O-CG2 3.28Å; L372-V376 WeakPolarHBondContact O-CG2 3.35Å; L372-V376 PolarHBondContact O-N 3.33Å; V376-S378 VanDerWaalsContact C-N 3.28Å; V376-S378 PolarHBondContact O-N 3.28Å; V376-L379 PolarHBondContact O-N 3.35Å
377S71.1Confident72.6Confident80 Ų8081.1 Ų81.156%0.55945%0.445SS*.Hα-helixtrans-66.8-27.6175.570.70000113.4T373 S374 A375T373-S377 WeakPolarHBondContact O-CB 3.43Å; T373-S377 PolarHBondContact O-N 3Å; T373-S377 PolarHBondContact O-OG 3.08Å; T373-S377 VanDerWaalsContact O-OG 3.14Å; S374-S377 WeakPolarHBondContact CA-OG 3.35Å; S374-S377 PolarHBondContact O-N 3.45Å; S374-S377 PolarHBondContact O-OG 2.86Å; A375-S377 VanDerWaalsContact C-N 3.33Å; A375-S377 PolarHBondContact O-N 3.4Å
378S74.4Confident74.3Confident33 Ų3376.2 Ų76.223%0.23142%0.418CS..Hα-helixtrans-87.7-10.6179.868.60000114.6S374 A375 V376 E381 L382S374-S378 PolarHBondContact O-N 3.12Å; S374-S378 PolarHBondContact O-OG 3.36Å; A375-S378 PolarHBondContact O-N 2.8Å; A375-S378 VanDerWaalsContact O-N 3.14Å; A375-S378 PolarHBondContact O-OG 3.45Å; V376-S378 VanDerWaalsContact C-N 3.28Å; V376-S378 PolarHBondContact O-N 3.28Å; S378-E381 PolarHBondContact O-N 2.91Å; S378-L382 PolarHBondContact O-N 3.33Å
379L76.5Confident76.1Confident65 Ų6573.7 Ų73.734%0.3441%0.405SS..Hα-helixtrans-57.9-45-178-77.8171.6000113.7A375 V376 E381 L382 L383A375-L379 PolarHBondContact O-N 2.93Å; V376-L379 PolarHBondContact O-N 3.35Å; L379-E381 VanDerWaalsContact C-N 3.29Å; L379-E381 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 2.97Å; L379-L383 WeakPolarHBondContact O-CG 3.5Å; L379-L383 PolarHBondContact O-N 3.5Å
380P83.4Confident77.6Confident86 Ų8673.4 Ų73.456%0.55840%0.401SS*.Hα-helixtrans-60.6-38.9177.2-23.835.3000112.8L383 E384P380-L383 PolarHBondContact O-N 2.84Å; P380-E384 PolarHBondContact O-N 3.07Å
381E83.1Confident79.2Confident147 Ų14770.2 Ų70.269%0.68737%0.374SS*.Hα-helixtrans-67.7-40.7177.7-62.2-174.2166.700111.6S378 L379 E384 K385S378-E381 PolarHBondContact O-N 2.91Å; L379-E381 VanDerWaalsContact C-N 3.29Å; L379-E381 PolarHBondContact O-N 2.97Å; E381-E384 PolarHBondContact O-N 3.21Å; E381-K385 WeakPolarHBondContact O-CB 3.47Å; E381-K385 PolarHBondContact O-N 2.73Å
382L82.1Confident80.8Confident29 Ų2963.8 Ų63.815%0.15235%0.346CS..Hα-helixtrans-65.5-38.5175.4-73.9174000112.4V345 S378 L379 K385 K386V345-L382 HydrophobicContact CG2-CD1 4.13Å; S378-L382 PolarHBondContact O-N 3.33Å; L379-L382 PolarHBondContact O-N 2.97Å; L382-K385 PolarHBondContact O-N 3.34Å; L382-K386 WeakPolarHBondContact O-CB 3.39Å; L382-K386 PolarHBondContact O-N 3.03Å
383L86.5Confident82.5Confident113 Ų11362.7 Ų62.759%0.59234%0.342SS*.Hα-helixtrans-65.7-43.1175.7-73.1173.7000111.5L379 P380 K386 R387L379-L383 WeakPolarHBondContact O-CG 3.5Å; L379-L383 PolarHBondContact O-N 3.5Å; P380-L383 PolarHBondContact O-N 2.84Å; L383-K386 PolarHBondContact O-N 3.19Å; L383-R387 PolarHBondContact O-N 3.16Å
384E87.3Confident83.9Confident87 Ų8761.6 Ų61.641%0.40733%0.332SS..Hα-helixtrans-66.6-41.1176.3-177.357.8-165.400111.5P380 E381 K386 R387 L388P380-E384 PolarHBondContact O-N 3.07Å; E381-E384 PolarHBondContact O-N 3.21Å; E384-K386 PolarHBondContact O-N 2.84Å; E384-R387 WeakPolarHBondContact O-CB 3.42Å; E384-R387 PolarHBondContact O-N 3.18Å; E384-R387 IonicContact OE1-CZ 2.68Å; E384-R387 IonicContact OE1-NE 2.7Å; E384-R387 PolarHBondContact OE1-NE 2.79Å; E384-R387 VanDerWaalsContact OE1-NE 3.15Å; E384-R387 IonicContact OE1-NH2 3.95Å; E384-R387 PolarHBondContact OE1-NH2 2.97Å; E384-R387 IonicContact OE2-CZ 3.32Å; E384-R387 IonicContact OE2-NE 3.55Å; E384-R387 PolarHBondContact OE2-NE 3.03Å; E384-R387 IonicContact OE2-NH2 3.75Å; E384-L388 WeakPolarHBondContact O-CG 3.49Å; E384-L388 PolarHBondContact O-N 2.82Å
385K88.3Confident85.2Confident64 Ų6458.1 Ų58.128%0.27831%0.308SS..Hα-helixtrans-59.3-45.8173.6-175.2177.5174.9-174.10111.5E381 L382 R387 L388 I389E381-K385 WeakPolarHBondContact O-CB 3.47Å; E381-K385 PolarHBondContact O-N 2.73Å; L382-K385 PolarHBondContact O-N 3.34Å; K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.17Å; K385-L388 PolarHBondContact O-N 3.41Å; K385-I389 HydrophobicContact CG-CD1 4.01Å; K385-I389 WeakPolarHBondContact O-CG1 3.18Å; K385-I389 PolarHBondContact O-N 2.92Å
386K89.8Confident86.6Confident82 Ų8257.3 Ų57.336%0.35730%0.301SS..Hα-helixtrans-57.2-46.4174.3-171.9-171.2-179.7168.10111.2Y338 L382 L383 E384 L388 I389 D390Y338-K386 HydrophobicContact CE1-CB 4.34Å; Y338-K386 HydrophobicContact CE1-CD 4.31Å; Y338-K386 HydrophobicContact CE1-CG 4.02Å; Y338-K386 HydrophobicContact CE2-CB 3.79Å; Y338-K386 HydrophobicContact CE2-CG 4.37Å; Y338-K386 WeakPolarHBondContact OH-CD 3.27Å; L382-K386 WeakPolarHBondContact O-CB 3.39Å; L382-K386 PolarHBondContact O-N 3.03Å; L383-K386 PolarHBondContact O-N 3.19Å; E384-K386 PolarHBondContact O-N 2.84Å; K386-L388 VanDerWaalsContact C-N 3.31Å; K386-L388 PolarHBondContact O-N 3.32Å; K386-I389 PolarHBondContact O-N 3.01Å; K386-D390 WeakPolarHBondContact O-CB 3.49Å; K386-D390 PolarHBondContact O-N 3.32Å
387R92.2Very high87.9Confident110 Ų11056.4 Ų56.442%0.41530%0.297SS..Hα-helixtrans-57.9-42.4179.6-168.2-166.470.874.21.2112L383 E384 K385 L391L383-R387 PolarHBondContact O-N 3.16Å; E384-R387 WeakPolarHBondContact O-CB 3.42Å; E384-R387 PolarHBondContact O-N 3.18Å; E384-R387 IonicContact OE1-CZ 2.68Å; E384-R387 IonicContact OE1-NE 2.7Å; E384-R387 PolarHBondContact OE1-NE 2.79Å; E384-R387 VanDerWaalsContact OE1-NE 3.15Å; E384-R387 IonicContact OE1-NH2 3.95Å; E384-R387 PolarHBondContact OE1-NH2 2.97Å; E384-R387 IonicContact OE2-CZ 3.32Å; E384-R387 IonicContact OE2-NE 3.55Å; E384-R387 PolarHBondContact OE2-NE 3.03Å; E384-R387 IonicContact OE2-NH2 3.75Å; K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.17Å; R387-L391 WeakPolarHBondContact O-CB 3.43Å; R387-L391 PolarHBondContact O-N 3.38Å
388L92.1Very high89Confident31 Ų3153.7 Ų53.716%0.16228%0.279CS..Hα-helixtrans-68.7-41.9177.2-67.2177.8000112.2D313 E384 K385 K386 L391 H392D313-L388 HydrophobicContact CB-CD2 4.37Å; E384-L388 WeakPolarHBondContact O-CG 3.49Å; E384-L388 PolarHBondContact O-N 2.82Å; K385-L388 PolarHBondContact O-N 3.41Å; K386-L388 VanDerWaalsContact C-N 3.31Å; K386-L388 PolarHBondContact O-N 3.32Å; L388-L391 WeakPolarHBondContact O-CB 3.46Å; L388-L391 PolarHBondContact O-N 3.47Å; L388-H392 PolarHBondContact O-CD2 3.42Å; L388-H392 VanDerWaalsContact O-CD2 3.31Å; L388-H392 PolarHBondContact O-N 3.31Å
389I91.7Very high89.9Confident4 Ų452.1 Ų52.12%0.02127%0.268CS..Hα-helixtrans-61.5-47.4175-67.8167000110.3E334 L335 Y338 K385 K386 L391 H392 T393E334-I389 HydrophobicContact CB-CD1 4.34Å; E334-I389 HydrophobicContact CB-CG1 4.24Å; L335-I389 HydrophobicContact CB-CG2 4.14Å; L335-I389 HydrophobicContact CD1-CG2 3.8Å; Y338-I389 HydrophobicContact CD2-CD1 4.25Å; Y338-I389 HydrophobicContact CG-CD1 3.98Å; K385-I389 HydrophobicContact CG-CD1 4.01Å; K385-I389 WeakPolarHBondContact O-CG1 3.18Å; K385-I389 PolarHBondContact O-N 2.92Å; K386-I389 PolarHBondContact O-N 3.01Å; I389-L391 VanDerWaalsContact C-N 3.28Å; I389-L391 PolarHBondContact O-N 2.98Å; I389-H392 PolarHBondContact O-N 3.36Å; I389-T393 VanDerWaalsContact O-CB 3.28Å; I389-T393 WeakPolarHBondContact O-CB 3.43Å; I389-T393 PolarHBondContact O-N 2.87Å; I389-T393 PolarHBondContact O-OG1 2.94Å
390D91.6Very high90.6Very high69 Ų6951.4 Ų51.437%0.36926%0.264SS..Hα-helixtrans-60.1-40.7177.1-72.8-19.5000110.7K386 N394K386-D390 WeakPolarHBondContact O-CB 3.49Å; K386-D390 PolarHBondContact O-N 3.32Å; D390-N394 WeakPolarHBondContact O-CB 3.29Å; D390-N394 PolarHBondContact O-N 3.32Å; D390-N394 PolarHBondContact O-ND2 2.91Å
391L94.4Very high91.1Very high1 Ų151.7 Ų51.71%0.00526%0.261CS..Hα-helixtrans-57.4-57175.1179159000111Y307 L309 R387 L388 I389 T393 N394 V395Y307-L391 HydrophobicContact CD1-CB 3.92Å; Y307-L391 HydrophobicContact CD1-CD1 3.93Å; Y307-L391 HydrophobicContact CD1-CG 3.54Å; Y307-L391 HydrophobicContact CE1-CB 4.34Å; Y307-L391 HydrophobicContact CE1-CG 4.39Å; Y307-L391 HydrophobicContact CG-CD1 4.41Å; Y307-L391 HydrophobicContact CG-CG 4.09Å; L309-L391 HydrophobicContact CD2-CD2 3.65Å; R387-L391 WeakPolarHBondContact O-CB 3.43Å; R387-L391 PolarHBondContact O-N 3.38Å; L388-L391 WeakPolarHBondContact O-CB 3.46Å; L388-L391 PolarHBondContact O-N 3.47Å; I389-L391 VanDerWaalsContact C-N 3.28Å; I389-L391 PolarHBondContact O-N 2.98Å; L391-T393 VanDerWaalsContact C-N 3.34Å; L391-T393 PolarHBondContact O-N 3.35Å; L391-N394 PolarHBondContact O-N 3.47Å; L391-V395 HydrophobicContact CD2-CG2 4.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 3.11Å
392H95Very high91.6Very high2 Ų247.8 Ų47.81%0.00924%0.242CC..Hα-helixtrans-68.7-33.2-176-74.1-61.6000112.9Y267 D313 F315 V331 L388 I389 V395 A396Y267-H392 AromaticContact CE1-ND1 3.74Å; Y267-H392 AromaticContact CZ-ND1 3.84Å; Y267-H392 PolarHBondContact OH-ND1 3.12Å; D313-H392 IonicContact OD1-NE2 2.72Å; D313-H392 PolarHBondContact OD1-NE2 2.92Å; D313-H392 IonicContact OD2-CD2 2.72Å; D313-H392 IonicContact OD2-CE1 3.43Å; D313-H392 IonicContact OD2-NE2 3.5Å; D313-H392 PolarHBondContact OD2-NE2 3.45Å; F315-H392 HydrophobicContact CD1-CB 4.08Å; F315-H392 AromaticContact CD1-CD2 3.25Å; F315-H392 WeakPolarHBondContact CD1-CD2 3.34Å; F315-H392 AromaticContact CD1-CE1 3.61Å; F315-H392 AromaticContact CD1-CG 3.37Å; F315-H392 AromaticContact CD1-ND1 3.59Å; F315-H392 AromaticContact CD1-NE2 3.38Å; F315-H392 WeakPolarHBondContact CD1-NE2 3.23Å; F315-H392 HydrophobicContact CE1-CB 4.03Å; F315-H392 AromaticContact CE1-CG 3.71Å; F315-H392 AromaticContact CE1-ND1 3.87Å; F315-H392 AromaticContact CG-CD2 3.67Å; F315-H392 AromaticContact CG-NE2 3.95Å; V331-H392 HydrophobicContact CG2-CB 4.03Å; L388-H392 PolarHBondContact O-CD2 3.42Å; L388-H392 VanDerWaalsContact O-CD2 3.31Å; L388-H392 PolarHBondContact O-N 3.31Å; I389-H392 PolarHBondContact O-N 3.36Å; H392-V395 PolarHBondContact O-N 3.41Å; H392-A396 WeakPolarHBondContact O-CB 3.44Å; H392-A396 PolarHBondContact O-N 3.06Å
393T92.8Very high92.1Very high40 Ų4046.6 Ų46.625%0.24524%0.236CC..Hα-helixtrans-60.5-48.4172.6-57.50000110.9V331 I389 L391 T397V331-T393 WeakPolarHBondContact CG1-OG1 3.37Å; I389-T393 VanDerWaalsContact O-CB 3.28Å; I389-T393 WeakPolarHBondContact O-CB 3.43Å; I389-T393 PolarHBondContact O-N 2.87Å; I389-T393 PolarHBondContact O-OG1 2.94Å; L391-T393 VanDerWaalsContact C-N 3.34Å; L391-T393 PolarHBondContact O-N 3.35Å; T393-T397 VanDerWaalsContact O-CB 3.29Å; T393-T397 WeakPolarHBondContact O-CB 3.42Å; T393-T397 PolarHBondContact O-N 2.84Å; T393-T397 PolarHBondContact O-OG1 3.13Å
394N93.1Very high92.4Very high65 Ų6546.2 Ų46.235%0.34823%0.23SC..Hα-helixtrans-64.8-45.4179.5-72.6-46.9000111.8M284 Y307 D390 L391 T397 A398M284-N394 HydrophobicContact CE-CB 4.07Å; Y307-N394 HydrophobicContact CE1-CB 4.48Å; Y307-N394 WeakPolarHBondContact OH-CB 3.03Å; Y307-N394 PolarHBondContact OH-ND2 2.92Å; Y307-N394 VanDerWaalsContact OH-ND2 3.14Å; D390-N394 WeakPolarHBondContact O-CB 3.29Å; D390-N394 PolarHBondContact O-N 3.32Å; D390-N394 PolarHBondContact O-ND2 2.91Å; L391-N394 PolarHBondContact O-N 3.47Å; N394-T397 PolarHBondContact O-N 3.18Å; N394-A398 PolarHBondContact O-N 2.97Å
395V94.8Very high92.7Very high0 Ų045.9 Ų45.90%024%0.237CC..Hα-helixtrans-65.4-46.5179.61740000111Y267 I271 L275 M284 L391 H392 T397 A398 V399Y267-V395 HydrophobicContact CE2-CG1 4.26Å; I271-V395 HydrophobicContact CD1-CG1 3.6Å; I271-V395 HydrophobicContact CG1-CG1 3.76Å; L275-V395 HydrophobicContact CD1-CG1 4.13Å; M284-V395 HydrophobicContact CE-CB 4.4Å; M284-V395 HydrophobicContact CE-CG2 3.65Å; M284-V395 HydrophobicContact SD-CG2 4.45Å; L391-V395 HydrophobicContact CD2-CG2 4.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 3.11Å; H392-V395 PolarHBondContact O-N 3.41Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 2.61Å; V395-A398 PolarHBondContact O-N 2.84Å; V395-V399 WeakPolarHBondContact O-CG2 3.49Å; V395-V399 PolarHBondContact O-N 2.93Å
396A93.9Very high93Very high9 Ų944.2 Ų44.27%0.07423%0.229CC..Hα-helixtrans-65-36.3179.100000112.1F324 H392 V399 L400F324-A396 HydrophobicContact CE2-CB 4.29Å; F324-A396 WeakPolarHBondContact CZ-O 3.37Å; H392-A396 WeakPolarHBondContact O-CB 3.44Å; H392-A396 PolarHBondContact O-N 3.06Å; A396-V399 PolarHBondContact O-N 3.08Å; A396-L400 WeakPolarHBondContact O-CB 3.3Å; A396-L400 PolarHBondContact O-N 2.98Å
397T91.6Very high93.2Very high68 Ų6843.5 Ų43.542%0.41723%0.226SC..Hα-helixtrans-63.6-47.6174.7-57.90000111.1T393 N394 V395 V399 L400 D401T393-T397 VanDerWaalsContact O-CB 3.29Å; T393-T397 WeakPolarHBondContact O-CB 3.42Å; T393-T397 PolarHBondContact O-N 2.84Å; T393-T397 PolarHBondContact O-OG1 3.13Å; N394-T397 PolarHBondContact O-N 3.18Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 2.61Å; T397-V399 VanDerWaalsContact C-N 3.33Å; T397-V399 PolarHBondContact O-N 2.85Å; T397-L400 WeakPolarHBondContact O-CB 3.39Å; T397-L400 PolarHBondContact O-N 2.89Å; T397-L400 VanDerWaalsContact O-N 3.14Å; T397-D401 PolarHBondContact O-N 3.43Å
398A93.6Very high93.3Very high22 Ų2238.3 Ų38.318%0.18221%0.207CC..Hα-helixtrans-60.6-41.8177.400000112.2L275 M284 N394 V395 D401 H402L275-A398 HydrophobicContact CD1-CB 4.38Å; L275-A398 HydrophobicContact CD2-CB 4.11Å; M284-A398 HydrophobicContact SD-CB 3.55Å; M284-A398 VanDerWaalsContact SD-CB 3.55Å; N394-A398 PolarHBondContact O-N 2.97Å; V395-A398 PolarHBondContact O-N 2.84Å; A398-D401 PolarHBondContact O-N 3.26Å; A398-H402 PolarHBondContact O-CD2 3.32Å; A398-H402 VanDerWaalsContact O-CD2 3.22Å; A398-H402 PolarHBondContact O-N 2.92Å
399V93.9Very high93.2Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-61.3-45.8173.7170.70000111.1L270 I271 V274 L275 F324 V395 A396 T397 D401 H402 I403L270-V399 HydrophobicContact CD2-CG1 3.43Å; L270-V399 VanDerWaalsContact CD2-CG1 3.43Å; L270-V399 HydrophobicContact CG-CG1 3.64Å; I271-V399 HydrophobicContact CG1-CG2 3.91Å; V274-V399 HydrophobicContact CG2-CB 4.48Å; V274-V399 HydrophobicContact CG2-CG1 4.43Å; V274-V399 HydrophobicContact CG2-CG2 4.07Å; L275-V399 HydrophobicContact CD1-CG2 3.84Å; L275-V399 HydrophobicContact CG-CG2 4.26Å; F324-V399 HydrophobicContact CD2-CG1 3.97Å; F324-V399 HydrophobicContact CE1-CG1 4.46Å; F324-V399 HydrophobicContact CE2-CB 3.93Å; F324-V399 HydrophobicContact CE2-CG1 3.53Å; F324-V399 HydrophobicContact CZ-CB 4.17Å; F324-V399 HydrophobicContact CZ-CG1 3.81Å; V395-V399 WeakPolarHBondContact O-CG2 3.49Å; V395-V399 PolarHBondContact O-N 2.93Å; A396-V399 PolarHBondContact O-N 3.08Å; T397-V399 VanDerWaalsContact C-N 3.33Å; T397-V399 PolarHBondContact O-N 2.85Å; V399-D401 VanDerWaalsContact C-N 3.28Å; V399-D401 PolarHBondContact O-N 2.83Å; V399-H402 WeakPolarHBondContact O-CB 3.49Å; V399-H402 PolarHBondContact O-N 2.95Å; V399-H402 VanDerWaalsContact O-N 3.14Å; V399-I403 HydrophobicContact CG1-CD1 4.07Å; V399-I403 HydrophobicContact CG1-CG1 4.39Å; V399-I403 WeakPolarHBondContact O-CG1 3.34Å; V399-I403 PolarHBondContact O-N 3.35Å
400L92.3Very high93.3Very high51 Ų5141 Ų4127%0.26722%0.223SC..Hα-helixtrans-60.9-37.2179.2-177.363.1000112.3F324 A396 T397 H402 I403 K404F324-L400 HydrophobicContact CE1-CB 4.31Å; F324-L400 HydrophobicContact CE1-CD1 4.09Å; F324-L400 HydrophobicContact CZ-CB 4.09Å; A396-L400 WeakPolarHBondContact O-CB 3.3Å; A396-L400 PolarHBondContact O-N 2.98Å; T397-L400 WeakPolarHBondContact O-CB 3.39Å; T397-L400 PolarHBondContact O-N 2.89Å; T397-L400 VanDerWaalsContact O-N 3.14Å; L400-H402 VanDerWaalsContact C-N 3.35Å; L400-I403 PolarHBondContact O-N 2.92Å; L400-K404 HydrophobicContact CD1-CD 4.46Å; L400-K404 HydrophobicContact CD1-CG 4.41Å; L400-K404 HydrophobicContact CG-CD 4.24Å; L400-K404 WeakPolarHBondContact O-CG 3.2Å; L400-K404 PolarHBondContact O-N 3.29Å
401D92.5Very high93.4Very high91 Ų9137.8 Ų37.849%0.48721%0.205SC..Hα-helixtrans-63.9-40.7175.9-69.6-20.4000111.4T397 A398 V399 S405T397-D401 PolarHBondContact O-N 3.43Å; A398-D401 PolarHBondContact O-N 3.26Å; V399-D401 VanDerWaalsContact C-N 3.28Å; V399-D401 PolarHBondContact O-N 2.83Å; D401-S405 VanDerWaalsContact O-CB 3.26Å; D401-S405 WeakPolarHBondContact O-CB 3.45Å; D401-S405 PolarHBondContact O-N 3.34Å; D401-S405 PolarHBondContact O-OG 3.16Å
402H93.9Very high93.4Very high65 Ų6538 Ų3830%0.30121%0.206SC..Hα-helixtrans-65.1-42.5172.6-77.8-68.1000112.6V274 A398 V399 L400 K404 S405 R406V274-H402 HydrophobicContact CB-CB 3.93Å; V274-H402 HydrophobicContact CG1-CB 4.34Å; V274-H402 HydrophobicContact CG2-CB 4Å; A398-H402 PolarHBondContact O-CD2 3.32Å; A398-H402 VanDerWaalsContact O-CD2 3.22Å; A398-H402 PolarHBondContact O-N 2.92Å; V399-H402 WeakPolarHBondContact O-CB 3.49Å; V399-H402 PolarHBondContact O-N 2.95Å; V399-H402 VanDerWaalsContact O-N 3.14Å; L400-H402 VanDerWaalsContact C-N 3.35Å; H402-K404 PolarHBondContact O-N 3.41Å; H402-S405 PolarHBondContact O-OG 2.82Å; H402-R406 WeakPolarHBondContact O-CB 3.48Å; H402-R406 PolarHBondContact O-N 2.95Å; H402-R406 VanDerWaalsContact O-N 3.16Å
403I92.9Very high93.1Very high4 Ų441.5 Ų41.52%0.02122%0.223CC..Hα-helixtrans-58.3-50.1176.6-65170.2000110.3W265 L270 F324 V399 L400 K407 L408W265-I403 HydrophobicContact CH2-CD1 4.33Å; W265-I403 HydrophobicContact CH2-CG2 3.93Å; W265-I403 HydrophobicContact CZ3-CD1 4.45Å; W265-I403 HydrophobicContact CZ3-CG2 4.46Å; L270-I403 HydrophobicContact CD2-CD1 3.91Å; L270-I403 HydrophobicContact CD2-CG1 4.36Å; F324-I403 HydrophobicContact CD1-CD1 3.48Å; F324-I403 VanDerWaalsContact CD1-CD1 3.48Å; F324-I403 HydrophobicContact CE1-CD1 3.45Å; F324-I403 VanDerWaalsContact CE1-CD1 3.45Å; F324-I403 HydrophobicContact CG-CD1 4.23Å; F324-I403 HydrophobicContact CZ-CD1 4.2Å; V399-I403 HydrophobicContact CG1-CD1 4.07Å; V399-I403 HydrophobicContact CG1-CG1 4.39Å; V399-I403 WeakPolarHBondContact O-CG1 3.34Å; V399-I403 PolarHBondContact O-N 3.35Å; L400-I403 PolarHBondContact O-N 2.92Å; I403-K407 CarbonylContact O-C 3.48Å; I403-K407 VanDerWaalsContact O-CA 3.29Å; I403-K407 WeakPolarHBondContact O-CA 3.34Å; I403-K407 PolarHBondContact O-N 3.39Å; I403-L408 HydrophobicContact CG1-CD1 4.5Å; I403-L408 HydrophobicContact CG2-CB 4.43Å; I403-L408 PolarHBondContact O-N 3.14Å
404K92.4Very high93.1Very high105 Ų10540.3 Ų40.346%0.45721%0.214SC..Hα-helixtrans-68-48-176.6-72.7175.5-179.1167.40112.6L400 H402 R406 K407L400-K404 HydrophobicContact CD1-CD 4.46Å; L400-K404 HydrophobicContact CD1-CG 4.41Å; L400-K404 HydrophobicContact CG-CD 4.24Å; L400-K404 WeakPolarHBondContact O-CG 3.2Å; L400-K404 PolarHBondContact O-N 3.29Å; H402-K404 PolarHBondContact O-N 3.41Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 2.92Å; K404-K407 PolarHBondContact O-N 3.11Å
405S94Very high93.1Very high81 Ų8137.2 Ų37.257%0.56620%0.197SC*.Hα-helixtrans-65.5-31.4-176.156.20000112.9D401 H402D401-S405 VanDerWaalsContact O-CB 3.26Å; D401-S405 WeakPolarHBondContact O-CB 3.45Å; D401-S405 PolarHBondContact O-N 3.34Å; D401-S405 PolarHBondContact O-OG 3.16Å; H402-S405 PolarHBondContact O-OG 2.82Å
406R94.6Very high92.8Very high29 Ų2939.3 Ų39.311%0.10921%0.207CC..Hα-helixtrans-102.2-2.2-179.1-64162.160.9-169.3-3.2113.5H402 K404 L408 G438 T439 D442H402-R406 WeakPolarHBondContact O-CB 3.48Å; H402-R406 PolarHBondContact O-N 2.95Å; H402-R406 VanDerWaalsContact O-N 3.16Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 2.92Å; R406-L408 VanDerWaalsContact C-N 3.29Å; R406-L408 HydrophobicContact CB-CD2 3.52Å; R406-L408 HydrophobicContact CB-CG 3.82Å; R406-L408 PolarHBondContact O-N 2.91Å; R406-G438 WeakPolarHBondContact O-CA 2.93Å; R406-G438 PolarHBondContact O-N 3.47Å; R406-T439 HydrophobicContact CG-CG2 4.11Å; R406-D442 IonicContact CZ-OD1 3.65Å; R406-D442 IonicContact CZ-OD2 3.02Å; R406-D442 IonicContact NE-OD1 3.85Å; R406-D442 IonicContact NE-OD2 3.54Å; R406-D442 PolarHBondContact NE-OD2 2.83Å; R406-D442 IonicContact NH2-OD1 3.98Å; R406-D442 PolarHBondContact NH2-OD1 3.34Å; R406-D442 IonicContact NH2-OD2 2.65Å; R406-D442 PolarHBondContact NH2-OD2 2.94Å
407K94.6Very high92.5Very high67 Ų6740.7 Ų40.729%0.29121%0.211SC..THydrogen-bonded Turntrans5243.6-172.8-56.7-179.5-174.6155.80112.7I403 K404 D409 V410 Y411 D434 D436 A437I403-K407 CarbonylContact O-C 3.48Å; I403-K407 VanDerWaalsContact O-CA 3.29Å; I403-K407 WeakPolarHBondContact O-CA 3.34Å; I403-K407 PolarHBondContact O-N 3.39Å; K404-K407 PolarHBondContact O-N 3.11Å; K407-D409 WeakPolarHBondContact CA-OD1 3.07Å; K407-D409 PolarHBondContact O-N 3.36Å; K407-V410 HydrophobicContact CB-CG2 4.24Å; K407-V410 WeakPolarHBondContact O-CB 3.42Å; K407-V410 PolarHBondContact O-N 3.01Å; K407-Y411 WeakPolarHBondContact O-CD2 3.28Å; K407-Y411 PolarHBondContact O-N 3.46Å; K407-D434 IonicContact NZ-OD1 2.74Å; K407-D434 IonicContact NZ-OD2 3.51Å; K407-D434 PolarHBondContact NZ-OD2 3.13Å; K407-D436 WeakPolarHBondContact CE-O 3.5Å; K407-D436 PolarHBondContact NZ-O 2.85Å; K407-A437 HydrophobicContact CD-CB 3.96Å
408L94.6Very high92.4Very high1 Ų138 Ų381%0.00520%0.195CC..Hα-helixtrans-63.7-24.1-173.4-61.2-174.2000113.5V274 I403 R406 V410 Y411 F412V274-L408 HydrophobicContact CG1-CD1 3.84Å; I403-L408 HydrophobicContact CG1-CD1 4.5Å; I403-L408 HydrophobicContact CG2-CB 4.43Å; I403-L408 PolarHBondContact O-N 3.14Å; R406-L408 VanDerWaalsContact C-N 3.29Å; R406-L408 HydrophobicContact CB-CD2 3.52Å; R406-L408 HydrophobicContact CB-CG 3.82Å; R406-L408 PolarHBondContact O-N 2.91Å; L408-V410 VanDerWaalsContact C-N 3.27Å; L408-V410 PolarHBondContact O-N 2.69Å; L408-Y411 PolarHBondContact O-N 2.89Å; L408-F412 VanDerWaalsContact O-CB 3.27Å; L408-F412 WeakPolarHBondContact O-CB 3.43Å; L408-F412 PolarHBondContact O-N 3.24Å
409D90.3Very high92.1Very high44 Ų4439.2 Ų39.224%0.23520%0.197CC..Hα-helixtrans-56.9-40.917154.3-45.4000112.2W265 K407 E413 L528W265-D409 HydrophobicContact CH2-CB 3.72Å; W265-D409 HydrophobicContact CZ2-CB 4.27Å; K407-D409 WeakPolarHBondContact CA-OD1 3.07Å; K407-D409 PolarHBondContact O-N 3.36Å; D409-E413 PolarHBondContact O-N 2.79Å; D409-E413 VanDerWaalsContact O-N 3.16Å; D409-L528 HydrophobicContact CB-CD1 4Å
410V92.4Very high91.7Very high48 Ų4841.1 Ų41.129%0.29121%0.21SC..Hα-helixtrans-72.1-43.9179.1-173.80000110.8K407 L408 E413 Y414 I431K407-V410 HydrophobicContact CB-CG2 4.24Å; K407-V410 WeakPolarHBondContact O-CB 3.42Å; K407-V410 PolarHBondContact O-N 3.01Å; L408-V410 VanDerWaalsContact C-N 3.27Å; L408-V410 PolarHBondContact O-N 2.69Å; V410-E413 PolarHBondContact O-N 2.93Å; V410-Y414 HydrophobicContact CG1-CD2 4.17Å; V410-Y414 HydrophobicContact CG1-CE2 4.01Å; V410-Y414 VanDerWaalsContact O-CD2 3.32Å; V410-Y414 WeakPolarHBondContact O-CD2 3.35Å; V410-Y414 PolarHBondContact O-N 3.41Å; V410-I431 HydrophobicContact CG1-CD1 3.51Å
411Y94.7Very high91.3Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-58.7-49.5176-79.5-88000111.2K407 L408 E413 Y414 E415 I431 A437 D442 K443 L446K407-Y411 WeakPolarHBondContact O-CD2 3.28Å; K407-Y411 PolarHBondContact O-N 3.46Å; L408-Y411 PolarHBondContact O-N 2.89Å; Y411-E413 VanDerWaalsContact C-N 3.32Å; Y411-E413 PolarHBondContact O-N 3.36Å; Y411-Y414 PolarHBondContact O-N 3.3Å; Y411-E415 VanDerWaalsContact O-CG 3.23Å; Y411-E415 WeakPolarHBondContact O-CG 3.23Å; Y411-E415 PolarHBondContact O-N 2.85Å; Y411-I431 HydrophobicContact CE1-CG2 3.86Å; Y411-I431 HydrophobicContact CE2-CG2 4.33Å; Y411-A437 HydrophobicContact CE2-CB 4.41Å; Y411-A437 PolarHBondContact OH-O 3.2Å; Y411-D442 HydrophobicContact CD1-CB 4.21Å; Y411-D442 HydrophobicContact CE1-CB 3.84Å; Y411-D442 WeakPolarHBondContact CE1-O 3.45Å; Y411-D442 HydrophobicContact CE2-CB 4.22Å; Y411-K443 WeakPolarHBondContact OH-CG 3.44Å; Y411-L446 HydrophobicContact CD1-CB 3.97Å; Y411-L446 HydrophobicContact CD1-CD2 3.99Å; Y411-L446 HydrophobicContact CD1-CG 4.49Å; Y411-L446 HydrophobicContact CE1-CB 4.08Å; Y411-L446 HydrophobicContact CE1-CD2 3.91Å
412F93.1Very high90.8Very high5 Ų544.3 Ų44.32%0.02222%0.224CC..Hα-helixtrans-53.7-46.3176.5178.2-102.4000112.3H262 H263 W265 L408 Y414 E415 E416 L528 L530H262-F412 AromaticContact CE1-CD2 3.96Å; H262-F412 AromaticContact CE1-CE2 3.58Å; H263-F412 VanDerWaalsContact O-CD2 3.25Å; H263-F412 WeakPolarHBondContact O-CD2 3.33Å; W265-F412 HydrophobicContact CB-CD2 4.4Å; W265-F412 HydrophobicContact CB-CE1 4.37Å; W265-F412 HydrophobicContact CB-CE2 4Å; W265-F412 HydrophobicContact CB-CZ 4.02Å; W265-F412 HydrophobicContact CD2-CD1 4.38Å; W265-F412 HydrophobicContact CD2-CG 4.47Å; W265-F412 HydrophobicContact CE3-CB 4.32Å; W265-F412 HydrophobicContact CE3-CD1 4.44Å; W265-F412 HydrophobicContact CE3-CD2 4.46Å; W265-F412 HydrophobicContact CE3-CG 4.13Å; W265-F412 HydrophobicContact CG-CE1 4.39Å; W265-F412 HydrophobicContact CZ3-CB 4.38Å; L408-F412 VanDerWaalsContact O-CB 3.27Å; L408-F412 WeakPolarHBondContact O-CB 3.43Å; L408-F412 PolarHBondContact O-N 3.24Å; F412-Y414 PolarHBondContact O-N 3.05Å; F412-E415 PolarHBondContact O-N 3.04Å; F412-E416 HydrophobicContact CD1-CG 4.41Å; F412-E416 HydrophobicContact CD2-CG 4.3Å; F412-E416 HydrophobicContact CE1-CG 3.82Å; F412-E416 HydrophobicContact CE2-CG 3.71Å; F412-E416 HydrophobicContact CZ-CG 3.39Å; F412-E416 WeakPolarHBondContact O-CB 3.2Å; F412-E416 WeakPolarHBondContact O-CG 3.38Å; F412-E416 PolarHBondContact O-N 3.17Å; F412-L528 HydrophobicContact CD1-CB 4.43Å; F412-L528 HydrophobicContact CD1-CD1 4.34Å; F412-L528 HydrophobicContact CD1-CD2 4.4Å; F412-L528 HydrophobicContact CE1-CB 4.34Å; F412-L530 HydrophobicContact CE1-CD2 4.34Å; F412-L530 HydrophobicContact CE2-CD2 4.13Å; F412-L530 HydrophobicContact CZ-CD2 3.47Å; F412-L530 VanDerWaalsContact CZ-CD2 3.47Å
413E90.4Very high90.1Very high77 Ų7747.1 Ų47.136%0.3625%0.246SC..Hα-helixtrans-61.9-42.7179.5-168.8-169.9162.900112.7D409 V410 Y411 K417 L528D409-E413 PolarHBondContact O-N 2.79Å; D409-E413 VanDerWaalsContact O-N 3.16Å; V410-E413 PolarHBondContact O-N 2.93Å; Y411-E413 VanDerWaalsContact C-N 3.32Å; Y411-E413 PolarHBondContact O-N 3.36Å; E413-K417 WeakPolarHBondContact O-CG 3.45Å; E413-K417 PolarHBondContact O-N 2.9Å; E413-K417 WeakPolarHBondContact OE1-CE 3.5Å; E413-K417 IonicContact OE1-NZ 2.65Å; E413-K417 PolarHBondContact OE1-NZ 2.68Å; E413-L528 HydrophobicContact CB-CD2 4.01Å; E413-L528 HydrophobicContact CG-CD2 4.09Å
414Y91.3Very high89.5Confident15 Ų1549 Ų496%0.05926%0.256CS..Hα-helixtrans-66-45.4178.2-88.9-114.9000111.5V410 Y411 F412 K417 L418 I424 K426 L428 I431V410-Y414 HydrophobicContact CG1-CD2 4.17Å; V410-Y414 HydrophobicContact CG1-CE2 4.01Å; V410-Y414 VanDerWaalsContact O-CD2 3.32Å; V410-Y414 WeakPolarHBondContact O-CD2 3.35Å; V410-Y414 PolarHBondContact O-N 3.41Å; Y411-Y414 PolarHBondContact O-N 3.3Å; F412-Y414 PolarHBondContact O-N 3.05Å; Y414-K417 PolarHBondContact O-N 3.03Å; Y414-L418 VanDerWaalsContact O-CG 3.28Å; Y414-L418 WeakPolarHBondContact O-CG 3.4Å; Y414-L418 PolarHBondContact O-N 3.14Å; Y414-I424 HydrophobicContact CD1-CG2 3.48Å; Y414-I424 VanDerWaalsContact CD1-CG2 3.48Å; Y414-I424 HydrophobicContact CE1-CG2 3.43Å; Y414-I424 VanDerWaalsContact CE1-CG2 3.43Å; Y414-I424 HydrophobicContact CG-CG2 4.3Å; Y414-K426 WeakPolarHBondContact OH-CB 3.48Å; Y414-L428 HydrophobicContact CD1-CD1 4.28Å; Y414-I431 HydrophobicContact CD1-CD1 4Å; Y414-I431 HydrophobicContact CD2-CD1 3.55Å; Y414-I431 HydrophobicContact CE1-CD1 3.67Å; Y414-I431 HydrophobicContact CE1-CG1 4.21Å; Y414-I431 HydrophobicContact CE2-CD1 3.2Å; Y414-I431 HydrophobicContact CE2-CG1 4.28Å; Y414-I431 HydrophobicContact CG-CD1 3.91Å; Y414-I431 WeakPolarHBondContact OH-CD1 3.37Å
415E92.8Very high88.5Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-67.5-40.5-177.1-63.8167.8-17600111.9H262 H263 Y411 F412 K417 L418 M419 L446 I449H262-E415 VanDerWaalsContact CD2-CB 3.43Å; H262-E415 WeakPolarHBondContact CD2-CB 3.38Å; H262-E415 IonicContact CD2-OE2 2.71Å; H262-E415 PolarHBondContact CD2-OE2 3.02Å; H262-E415 IonicContact CG-OE2 2.93Å; H262-E415 IonicContact NE2-OE2 3.94Å; H263-E415 WeakPolarHBondContact CB-OE2 3.32Å; H263-E415 IonicContact CE1-OE1 3.58Å; H263-E415 IonicContact CG-OE1 2.99Å; H263-E415 IonicContact CG-OE2 3.54Å; H263-E415 PolarHBondContact N-OE2 2.75Å; H263-E415 IonicContact ND1-OE1 2.64Å; H263-E415 PolarHBondContact ND1-OE1 3.43Å; H263-E415 IonicContact ND1-OE2 3.44Å; H263-E415 PolarHBondContact ND1-OE2 2.97Å; Y411-E415 VanDerWaalsContact O-CG 3.23Å; Y411-E415 WeakPolarHBondContact O-CG 3.23Å; Y411-E415 PolarHBondContact O-N 2.85Å; F412-E415 PolarHBondContact O-N 3.04Å; E415-K417 VanDerWaalsContact C-N 3.33Å; E415-K417 PolarHBondContact O-N 2.93Å; E415-L418 WeakPolarHBondContact O-CB 3.19Å; E415-L418 PolarHBondContact O-N 3.18Å; E415-L418 VanDerWaalsContact O-N 3.13Å; E415-M419 WeakPolarHBondContact O-CB 3.28Å; E415-M419 WeakPolarHBondContact O-CG 3.46Å; E415-M419 PolarHBondContact O-N 3.24Å; E415-L446 HydrophobicContact CG-CD1 3.69Å; E415-I449 HydrophobicContact CB-CD1 4.16Å; E415-I449 VanDerWaalsContact CD-CD1 3.49Å; E415-I449 HydrophobicContact CG-CD1 3.65Å
416E88.7Confident87.8Confident43 Ų4353.1 Ų53.120%0.20127%0.27CS..Hα-helixtrans-58.3-45.3173.1-84-72.4114.800111.3H262 F412 L418 M419 S420H262-E416 IonicContact CE1-OE1 3.35Å; H262-E416 PolarHBondContact CE1-OE1 3.02Å; H262-E416 IonicContact NE2-OE1 3.87Å; F412-E416 HydrophobicContact CD1-CG 4.41Å; F412-E416 HydrophobicContact CD2-CG 4.3Å; F412-E416 HydrophobicContact CE1-CG 3.82Å; F412-E416 HydrophobicContact CE2-CG 3.71Å; F412-E416 HydrophobicContact CZ-CG 3.39Å; F412-E416 WeakPolarHBondContact O-CB 3.2Å; F412-E416 WeakPolarHBondContact O-CG 3.38Å; F412-E416 PolarHBondContact O-N 3.17Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 3.41Å; E416-M419 PolarHBondContact O-N 3.34Å; E416-S420 VanDerWaalsContact O-CB 3.24Å; E416-S420 WeakPolarHBondContact O-CB 3.48Å; E416-S420 PolarHBondContact O-N 2.72Å; E416-S420 PolarHBondContact O-OG 3.49Å
417K88.9Confident87.5Confident39 Ų3954.1 Ų54.117%0.1728%0.281CS..Hα-helixtrans-61.6-41.2176-73175.4-172.4168.50111.4E413 Y414 E415 S420 K421 S422 D425E413-K417 WeakPolarHBondContact O-CG 3.45Å; E413-K417 PolarHBondContact O-N 2.9Å; E413-K417 WeakPolarHBondContact OE1-CE 3.5Å; E413-K417 IonicContact OE1-NZ 2.65Å; E413-K417 PolarHBondContact OE1-NZ 2.68Å; Y414-K417 PolarHBondContact O-N 3.03Å; E415-K417 VanDerWaalsContact C-N 3.33Å; E415-K417 PolarHBondContact O-N 2.93Å; K417-S420 PolarHBondContact O-OG 3.1Å; K417-K421 PolarHBondContact O-N 3.43Å; K417-S422 PolarHBondContact O-N 3.19Å; K417-D425 IonicContact NZ-OD2 2.91Å; K417-D425 PolarHBondContact NZ-OD2 3.01Å
418L89.4Confident87.2Confident12 Ų1251.1 Ų51.16%0.06327%0.268CS..Hα-helixtrans-64.2-50.2177.5-74.4169.1000111.8Y414 E415 E416 S420 K421 I424 L446 I449 Y450Y414-L418 VanDerWaalsContact O-CG 3.28Å; Y414-L418 WeakPolarHBondContact O-CG 3.4Å; Y414-L418 PolarHBondContact O-N 3.14Å; E415-L418 WeakPolarHBondContact O-CB 3.19Å; E415-L418 PolarHBondContact O-N 3.18Å; E415-L418 VanDerWaalsContact O-N 3.13Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 3.41Å; L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.37Å; L418-K421 PolarHBondContact O-N 3.42Å; L418-I424 HydrophobicContact CD1-CD1 4.4Å; L418-I424 HydrophobicContact CD2-CD1 3.32Å; L418-I424 HydrophobicContact CD2-CG1 4.15Å; L418-I424 HydrophobicContact CG-CD1 3.8Å; L418-I424 HydrophobicContact CG-CG1 4.43Å; L418-L446 HydrophobicContact CD1-CD1 3.81Å; L418-I449 HydrophobicContact CB-CG2 4.17Å; L418-I449 HydrophobicContact CD1-CG2 4.3Å; L418-Y450 HydrophobicContact CD2-CD2 3.7Å; L418-Y450 HydrophobicContact CD2-CG 4.42Å
419M87.4Confident87.1Confident47 Ų4753.3 Ų53.323%0.23228%0.28CS..Hα-helixtrans-67-32.9-179.2-68.4-176.570.700111.9A258 H262 E415 E416 K421 I449 T453A258-M419 HydrophobicContact CB-CE 4.23Å; H262-M419 HydrophobicContact CB-SD 3.99Å; H262-M419 PolarHBondContact CD2-SD 2.9Å; E415-M419 WeakPolarHBondContact O-CB 3.28Å; E415-M419 WeakPolarHBondContact O-CG 3.46Å; E415-M419 PolarHBondContact O-N 3.24Å; E416-M419 PolarHBondContact O-N 3.34Å; M419-K421 PolarHBondContact O-N 3.24Å; M419-I449 HydrophobicContact CG-CG2 3.91Å; M419-I449 HydrophobicContact SD-CG2 4.49Å; M419-T453 HydrophobicContact CG-CG2 4.3Å
420S85.6Confident87.2Confident39 Ų3955.9 Ų55.927%0.27329%0.294SS..THydrogen-bonded Turntrans-814172.477.30000114E416 K417 L418 S422E416-S420 VanDerWaalsContact O-CB 3.24Å; E416-S420 WeakPolarHBondContact O-CB 3.48Å; E416-S420 PolarHBondContact O-N 2.72Å; E416-S420 PolarHBondContact O-OG 3.49Å; K417-S420 PolarHBondContact O-OG 3.1Å; L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.37Å; S420-S422 PolarHBondContact O-N 3.42Å; S420-S422 PolarHBondContact OG-OG 3.32Å
421K83.6Confident87.2Confident152 Ų15254.2 Ų54.266%0.66128%0.283SS*.THydrogen-bonded Turntrans55.431.3-178.1-55.6178.4-179.9178.40113.4K417 L418 M419K417-K421 PolarHBondContact O-N 3.43Å; L418-K421 PolarHBondContact O-N 3.42Å; M419-K421 PolarHBondContact O-N 3.24Å
422S82.6Confident87.2Confident57 Ų5754.2 Ų54.240%0.39928%0.283SS..PPolyproline II helixtrans-89.3158.2176.1-60.90000110.7K417 S420K417-S422 PolarHBondContact O-N 3.19Å; S420-S422 PolarHBondContact O-N 3.42Å; S420-S422 PolarHBondContact OG-OG 3.32Å
423T78Confident87.2Confident124 Ų12456.4 Ų56.476%0.76131%0.307SS*.PPolyproline II helixtrans-71.5141.9176.149.90000110.4
424I80.4Confident87.3Confident45 Ų4555.1 Ų55.123%0.23130%0.303CS..PPolyproline II helixtrans-93.2138.2176.6-46.8168.8000107.9Y414 L418 K426 L428Y414-I424 HydrophobicContact CD1-CG2 3.48Å; Y414-I424 VanDerWaalsContact CD1-CG2 3.48Å; Y414-I424 HydrophobicContact CE1-CG2 3.43Å; Y414-I424 VanDerWaalsContact CE1-CG2 3.43Å; Y414-I424 HydrophobicContact CG-CG2 4.3Å; L418-I424 HydrophobicContact CD1-CD1 4.4Å; L418-I424 HydrophobicContact CD2-CD1 3.32Å; L418-I424 HydrophobicContact CD2-CG1 4.15Å; L418-I424 HydrophobicContact CG-CD1 3.8Å; L418-I424 HydrophobicContact CG-CG1 4.43Å; I424-K426 VanDerWaalsContact C-N 3.35Å; I424-K426 VanDerWaalsContact CG2-O 3.24Å; I424-K426 WeakPolarHBondContact CG2-O 3.49Å; I424-L428 HydrophobicContact CD1-CD1 3.22Å
425D72.2Confident87.3Confident126 Ų12659.7 Ų59.767%0.67433%0.334SS*.SBendtrans-78.1-21.2-174.1-57.1-53.6000113.4K417K417-D425 IonicContact NZ-OD2 2.91Å; K417-D425 PolarHBondContact NZ-OD2 3.01Å
426K79.5Confident87.2Confident146 Ų14665.4 Ų65.464%0.63537%0.365SS*.SBendtrans-136.3158.3-175.5-75.5-179.2-174.7178.70110.3Y414 I424Y414-K426 WeakPolarHBondContact OH-CB 3.48Å; I424-K426 VanDerWaalsContact C-N 3.35Å; I424-K426 VanDerWaalsContact CG2-O 3.24Å; I424-K426 WeakPolarHBondContact CG2-O 3.49Å
427S87.1Confident87.4Confident49 Ų4963.6 Ų63.634%0.34336%0.357SS..  trans-67142.6-178.8-174.10000110.9L429 D430S427-L429 PolarHBondContact O-N 2.56Å; S427-L429 PolarHBondContact OG-N 2.67Å; S427-D430 WeakPolarHBondContact CB-OD2 3.47Å; S427-D430 PolarHBondContact N-OD2 3.23Å; S427-D430 WeakPolarHBondContact O-CB 3.47Å; S427-D430 PolarHBondContact O-N 2.89Å
428L89.3Confident87.7Confident5 Ų562.6 Ų62.63%0.02636%0.357CS..Hα-helixtrans-61.9-33.2170.1-100.876.1000111.7Y414 I424 D430 I431 I432 L446 Y450 Y466Y414-L428 HydrophobicContact CD1-CD1 4.28Å; I424-L428 HydrophobicContact CD1-CD1 3.22Å; L428-D430 PolarHBondContact O-N 3.21Å; L428-I431 PolarHBondContact O-N 3.47Å; L428-I432 HydrophobicContact CB-CD1 4.45Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 2.95Å; L428-L446 HydrophobicContact CD2-CG 4.35Å; L428-Y450 VanDerWaalsContact CD2-CB 3.46Å; L428-Y450 HydrophobicContact CD2-CD1 3.96Å; L428-Y450 HydrophobicContact CD2-CD2 4.12Å; L428-Y450 HydrophobicContact CD2-CG 3.58Å; L428-Y466 HydrophobicContact CB-CE1 3.74Å
429L91.9Very high88Confident47 Ų4764.3 Ų64.325%0.24637%0.369CS..Hα-helixtrans-60-30.7178.7-70.3170.8000111.9S427 G433 Y466 A469S427-L429 PolarHBondContact O-N 2.56Å; S427-L429 PolarHBondContact OG-N 2.67Å; L429-G433 PolarHBondContact O-N 2.85Å; L429-Y466 HydrophobicContact CD2-CD1 3.42Å; L429-Y466 VanDerWaalsContact CD2-CD1 3.42Å; L429-Y466 HydrophobicContact CD2-CE1 3.56Å; L429-Y466 HydrophobicContact CD2-CG 4.12Å; L429-Y466 HydrophobicContact CG-CD1 4.01Å; L429-Y466 HydrophobicContact CG-CE1 3.58Å; L429-A469 HydrophobicContact CD2-CB 3.94Å
430D91.4Very high88.5Confident98 Ų9864.7 Ų64.752%0.52438%0.375SS..Hα-helixtrans-66.6-39.8180-57.8-24000111.1S427 L428 D434S427-D430 WeakPolarHBondContact CB-OD2 3.47Å; S427-D430 PolarHBondContact N-OD2 3.23Å; S427-D430 WeakPolarHBondContact O-CB 3.47Å; S427-D430 PolarHBondContact O-N 2.89Å; L428-D430 PolarHBondContact O-N 3.21Å; D430-D434 PolarHBondContact O-N 2.95Å
431I92.6Very high89Confident12 Ų1265.8 Ų65.86%0.06238%0.375CS..Hα-helixtrans-75.5-44.3176.9-69.4-164.4000111.3V410 Y411 Y414 L428 G433 D434 L446V410-I431 HydrophobicContact CG1-CD1 3.51Å; Y411-I431 HydrophobicContact CE1-CG2 3.86Å; Y411-I431 HydrophobicContact CE2-CG2 4.33Å; Y414-I431 HydrophobicContact CD1-CD1 4Å; Y414-I431 HydrophobicContact CD2-CD1 3.55Å; Y414-I431 HydrophobicContact CE1-CD1 3.67Å; Y414-I431 HydrophobicContact CE1-CG1 4.21Å; Y414-I431 HydrophobicContact CE2-CD1 3.2Å; Y414-I431 HydrophobicContact CE2-CG1 4.28Å; Y414-I431 HydrophobicContact CG-CD1 3.91Å; Y414-I431 WeakPolarHBondContact OH-CD1 3.37Å; L428-I431 PolarHBondContact O-N 3.47Å; I431-G433 PolarHBondContact O-N 3.17Å; I431-D434 PolarHBondContact O-N 2.76Å; I431-L446 HydrophobicContact CB-CD2 4.32Å; I431-L446 HydrophobicContact CG2-CD2 3.8Å
432I94.3Very high89.7Confident0 Ų058.6 Ų58.60%034%0.344CS..Hα-helixtrans-61.3-38.3179.1-66.1168.1000110.2L428 K443 F447 Y466 A469 L470L428-I432 HydrophobicContact CB-CD1 4.45Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 2.95Å; I432-K443 WeakPolarHBondContact O-CD 3.18Å; I432-K443 VanDerWaalsContact O-CE 3.26Å; I432-K443 WeakPolarHBondContact O-CE 3.28Å; I432-K443 PolarHBondContact O-NZ 3.12Å; I432-F447 HydrophobicContact CD1-CB 4.29Å; I432-F447 HydrophobicContact CD1-CD2 4.27Å; I432-Y466 HydrophobicContact CD1-CD1 3.9Å; I432-Y466 HydrophobicContact CD1-CE1 4.27Å; I432-A469 HydrophobicContact CG2-CB 3.86Å; I432-L470 HydrophobicContact CD1-CD2 4.36Å; I432-L470 HydrophobicContact CG2-CD2 3.89Å; I432-L470 HydrophobicContact CG2-CG 4.14Å
433G93.3Very high90.4Very high51 Ų5156.5 Ų56.553%0.52633%0.328SS..Hα-helixtrans-78.8-13.9178.800000115.6L429 I431 P435L429-G433 PolarHBondContact O-N 2.85Å; I431-G433 PolarHBondContact O-N 3.17Å; G433-P435 VanDerWaalsContact O-CD 3.3Å; G433-P435 WeakPolarHBondContact O-CD 3.3Å
434D93.6Very high91.3Very high51 Ų5150.7 Ų50.727%0.27329%0.292SS..  trans-74.6114.4179.9-179.6-1.2000110K407 D430 I431 D436 A437 K443K407-D434 IonicContact NZ-OD1 2.74Å; K407-D434 IonicContact NZ-OD2 3.51Å; K407-D434 PolarHBondContact NZ-OD2 3.13Å; D430-D434 PolarHBondContact O-N 2.95Å; I431-D434 PolarHBondContact O-N 2.76Å; D434-D436 PolarHBondContact O-N 2.84Å; D434-D436 WeakPolarHBondContact OD1-CB 3.4Å; D434-D436 PolarHBondContact OD1-N 3.23Å; D434-A437 HydrophobicContact CB-CB 3.79Å; D434-A437 PolarHBondContact O-N 3.27Å; D434-A437 WeakPolarHBondContact OD2-CB 3.24Å; D434-K443 WeakPolarHBondContact O-CE 3.5Å; D434-K443 PolarHBondContact O-NZ 3.46Å
435P91.2Very high92.1Very high110 Ų11048.6 Ų48.671%0.71428%0.281SS*.THydrogen-bonded Turntrans-68.3-20.5179.429.9-35.8000112.9G433G433-P435 VanDerWaalsContact O-CD 3.3Å; G433-P435 WeakPolarHBondContact O-CD 3.3Å
436D91Very high93.3Very high121 Ų12142.6 Ų42.665%0.64725%0.249SC*.THydrogen-bonded Turntrans-95.32.9-179.2-61.3-40.8000112.3K407 D434K407-D436 WeakPolarHBondContact CE-O 3.5Å; K407-D436 PolarHBondContact NZ-O 2.85Å; D434-D436 PolarHBondContact O-N 2.84Å; D434-D436 WeakPolarHBondContact OD1-CB 3.4Å; D434-D436 PolarHBondContact OD1-N 3.23Å
437A92.6Very high94.1Very high5 Ų535.6 Ų35.64%0.04122%0.219CC..SBendtrans-114.9108-179.200000112.3K407 Y411 D434 K443K407-A437 HydrophobicContact CD-CB 3.96Å; Y411-A437 HydrophobicContact CE2-CB 4.41Å; Y411-A437 PolarHBondContact OH-O 3.2Å; D434-A437 HydrophobicContact CB-CB 3.79Å; D434-A437 PolarHBondContact O-N 3.27Å; D434-A437 WeakPolarHBondContact OD2-CB 3.24Å; A437-K443 WeakPolarHBondContact O-CE 3.33Å
438G94.3Very high94.6Very high17 Ų1733.3 Ų33.318%0.17520%0.203CC..SBendtrans70.2169.5172.300000114.3R406R406-G438 WeakPolarHBondContact O-CA 2.93Å; R406-G438 PolarHBondContact O-N 3.47Å
439T96.6Very high94.9Very high49 Ų4933 Ų3330%0.30120%0.201SC..  trans-83.3167.7172.164.30000110.9R406 E441 D442 K443R406-T439 HydrophobicContact CG-CG2 4.11Å; T439-E441 PolarHBondContact O-N 3.2Å; T439-E441 PolarHBondContact OG1-N 3.02Å; T439-D442 WeakPolarHBondContact CB-OD2 3.29Å; T439-D442 PolarHBondContact N-OD2 3Å; T439-D442 PolarHBondContact O-N 3.11Å; T439-D442 PolarHBondContact OG1-N 3.32Å; T439-D442 PolarHBondContact OG1-OD2 3.22Å; T439-K443 WeakPolarHBondContact O-CG 3.21Å; T439-K443 PolarHBondContact O-N 3.39Å; T439-K443 VanDerWaalsContact O-N 3.12Å
440P97.1Very high95Very high55 Ų5533.3 Ų33.336%0.35720%0.199SC..Hα-helixtrans-54.3-34.3169.6-26.235.1000112.7M444 A473 D474 C475P440-M444 WeakPolarHBondContact O-CB 3.24Å; P440-M444 PolarHBondContact O-N 2.88Å; P440-A473 WeakPolarHBondContact CB-O 3.18Å; P440-A473 WeakPolarHBondContact CG-O 3.32Å; P440-D474 HydrophobicContact CG-CB 4.4Å; P440-C475 PolarHBondContact O-SG 3.33Å
441E96.7Very high95.2Very high62 Ų6229 Ų2929%0.2918%0.176SC..Hα-helixtrans-64.6-45175.1-169.4-173.4118.200111.8T439 K443 M444 R445 A620 M623T439-E441 PolarHBondContact O-N 3.2Å; T439-E441 PolarHBondContact OG1-N 3.02Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 3.17Å; E441-M444 PolarHBondContact O-N 3.35Å; E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.43Å; E441-R445 VanDerWaalsContact O-CG 3.27Å; E441-R445 WeakPolarHBondContact O-CG 3.4Å; E441-R445 PolarHBondContact O-N 2.97Å; E441-R445 IonicContact OE1-NH1 4Å; E441-A620 VanDerWaalsContact OE1-CA 3.32Å; E441-A620 WeakPolarHBondContact OE1-CA 3.2Å; E441-A620 WeakPolarHBondContact OE1-CB 3.5Å; E441-A620 WeakPolarHBondContact OE2-CB 3.39Å; E441-M623 HydrophobicContact CG-CG 4.41Å
442D97.7Very high95.2Very high0 Ų029.6 Ų29.60%018%0.179CC..Hα-helixtrans-61.6-43.6-179.9-58.7-35000111.5H263 R406 Y411 T439 M444 R445 L446H263-D442 IonicContact CE1-OD1 3.55Å; H263-D442 IonicContact NE2-OD1 2.91Å; H263-D442 PolarHBondContact NE2-OD1 3.27Å; R406-D442 IonicContact CZ-OD1 3.65Å; R406-D442 IonicContact CZ-OD2 3.02Å; R406-D442 IonicContact NE-OD1 3.85Å; R406-D442 IonicContact NE-OD2 3.54Å; R406-D442 PolarHBondContact NE-OD2 2.83Å; R406-D442 IonicContact NH2-OD1 3.98Å; R406-D442 PolarHBondContact NH2-OD1 3.34Å; R406-D442 IonicContact NH2-OD2 2.65Å; R406-D442 PolarHBondContact NH2-OD2 2.94Å; Y411-D442 HydrophobicContact CD1-CB 4.21Å; Y411-D442 HydrophobicContact CE1-CB 3.84Å; Y411-D442 WeakPolarHBondContact CE1-O 3.45Å; Y411-D442 HydrophobicContact CE2-CB 4.22Å; T439-D442 WeakPolarHBondContact CB-OD2 3.29Å; T439-D442 PolarHBondContact N-OD2 3Å; T439-D442 PolarHBondContact O-N 3.11Å; T439-D442 PolarHBondContact OG1-N 3.32Å; T439-D442 PolarHBondContact OG1-OD2 3.22Å; D442-M444 PolarHBondContact O-N 3Å; D442-R445 PolarHBondContact O-N 3.41Å; D442-L446 WeakPolarHBondContact O-CB 3.33Å; D442-L446 PolarHBondContact O-N 3.01Å
443K97.6Very high95Very high13 Ų1331.1 Ų31.16%0.05719%0.188CC..Hα-helixtrans-61.5-44175.7-67.3176.4177.5-166.60111.7Y411 I432 D434 A437 T439 E441 F447 L470 A473Y411-K443 WeakPolarHBondContact OH-CG 3.44Å; I432-K443 WeakPolarHBondContact O-CD 3.18Å; I432-K443 VanDerWaalsContact O-CE 3.26Å; I432-K443 WeakPolarHBondContact O-CE 3.28Å; I432-K443 PolarHBondContact O-NZ 3.12Å; D434-K443 WeakPolarHBondContact O-CE 3.5Å; D434-K443 PolarHBondContact O-NZ 3.46Å; A437-K443 WeakPolarHBondContact O-CE 3.33Å; T439-K443 WeakPolarHBondContact O-CG 3.21Å; T439-K443 PolarHBondContact O-N 3.39Å; T439-K443 VanDerWaalsContact O-N 3.12Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 3.17Å; K443-F447 PolarHBondContact O-N 2.92Å; K443-F447 VanDerWaalsContact O-N 3.07Å; K443-L470 HydrophobicContact CB-CD2 4.34Å; K443-A473 HydrophobicContact CD-CB 3.78Å
444M97.7Very high94.6Very high3 Ų329.6 Ų29.62%0.01517%0.171CC..Hα-helixtrans-67.3-43.9177.3-176.654.786.300111.6P440 E441 D442 L446 F447 L448 L470 C475 D476 L477 L480 M623P440-M444 WeakPolarHBondContact O-CB 3.24Å; P440-M444 PolarHBondContact O-N 2.88Å; E441-M444 PolarHBondContact O-N 3.35Å; D442-M444 PolarHBondContact O-N 3Å; M444-L446 PolarHBondContact O-N 3.49Å; M444-F447 PolarHBondContact O-N 3.4Å; M444-F447 HydrophobicContact SD-CD1 4.47Å; M444-L448 HydrophobicContact CG-CD1 4.21Å; M444-L448 HydrophobicContact CG-CG 4.2Å; M444-L448 VanDerWaalsContact O-CG 3.3Å; M444-L448 WeakPolarHBondContact O-CG 3.12Å; M444-L448 PolarHBondContact O-N 3.01Å; M444-L448 HydrophobicContact SD-CD1 4.49Å; M444-L448 HydrophobicContact SD-CD2 4.12Å; M444-L448 HydrophobicContact SD-CG 3.96Å; M444-L470 HydrophobicContact CE-CD1 4.14Å; M444-L470 HydrophobicContact SD-CD1 4.33Å; M444-C475 HydrophobicContact CE-CB 4.09Å; M444-D476 WeakPolarHBondContact CE-O 3.46Å; M444-L477 HydrophobicContact CE-CD2 3.65Å; M444-L480 HydrophobicContact CE-CB 4.48Å; M444-L480 HydrophobicContact SD-CB 4.47Å; M444-M623 HydrophobicContact CB-CE 3.93Å; M444-M623 HydrophobicContact CG-CE 3.33Å
445R97.5Very high93.9Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-55-51.3175.6-74.2166.162.8170.22.1111.2L261 H262 H263 D273 E441 D442 F447 L448 I449 M623L261-R445 HydrophobicContact CD2-CG 4.47Å; L261-R445 PolarHBondContact O-NE 3.41Å; L261-R445 PolarHBondContact O-NH2 3.17Å; L261-R445 VanDerWaalsContact O-NH2 3.11Å; H262-R445 PolarHBondContact O-NH2 3.23Å; H263-R445 PolarHBondContact CD2-NH2 3.25Å; H263-R445 PolarHBondContact NE2-NH1 3.39Å; D273-R445 IonicContact OD1-CZ 3.36Å; D273-R445 IonicContact OD1-NH1 3.12Å; D273-R445 PolarHBondContact OD1-NH1 2.82Å; D273-R445 IonicContact OD1-NH2 2.71Å; D273-R445 PolarHBondContact OD1-NH2 3.22Å; D273-R445 IonicContact OD2-CZ 3.95Å; D273-R445 IonicContact OD2-NH1 3.2Å; D273-R445 PolarHBondContact OD2-NH1 2.83Å; D273-R445 IonicContact OD2-NH2 3.15Å; D273-R445 PolarHBondContact OD2-NH2 3.34Å; E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.43Å; E441-R445 VanDerWaalsContact O-CG 3.27Å; E441-R445 WeakPolarHBondContact O-CG 3.4Å; E441-R445 PolarHBondContact O-N 2.97Å; E441-R445 IonicContact OE1-NH1 4Å; D442-R445 PolarHBondContact O-N 3.41Å; R445-F447 VanDerWaalsContact C-N 3.32Å; R445-F447 PolarHBondContact O-N 2.8Å; R445-L448 PolarHBondContact O-N 3.2Å; R445-I449 VanDerWaalsContact O-CG1 3.32Å; R445-I449 WeakPolarHBondContact O-CG1 3.29Å; R445-I449 PolarHBondContact O-N 3.18Å; R445-M623 HydrophobicContact CG-CG 4.05Å; R445-M623 HydrophobicContact CG-SD 4.31Å
446L96.7Very high93.3Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-55.6-47.4176.6174.361.7000111.7Y411 E415 L418 L428 I431 D442 M444 I449 Y450Y411-L446 HydrophobicContact CD1-CB 3.97Å; Y411-L446 HydrophobicContact CD1-CD2 3.99Å; Y411-L446 HydrophobicContact CD1-CG 4.49Å; Y411-L446 HydrophobicContact CE1-CB 4.08Å; Y411-L446 HydrophobicContact CE1-CD2 3.91Å; E415-L446 HydrophobicContact CG-CD1 3.69Å; L418-L446 HydrophobicContact CD1-CD1 3.81Å; L428-L446 HydrophobicContact CD2-CG 4.35Å; I431-L446 HydrophobicContact CB-CD2 4.32Å; I431-L446 HydrophobicContact CG2-CD2 3.8Å; D442-L446 WeakPolarHBondContact O-CB 3.33Å; D442-L446 PolarHBondContact O-N 3.01Å; M444-L446 PolarHBondContact O-N 3.49Å; L446-I449 PolarHBondContact O-N 2.89Å; L446-Y450 PolarHBondContact O-N 3.35Å
447F96.6Very high92.7Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-65.3-41.3179.9-177.2-105.4000112.6I432 K443 M444 R445 Y450 Y451 L463 Y466 L470 L480I432-F447 HydrophobicContact CD1-CB 4.29Å; I432-F447 HydrophobicContact CD1-CD2 4.27Å; K443-F447 PolarHBondContact O-N 2.92Å; K443-F447 VanDerWaalsContact O-N 3.07Å; M444-F447 PolarHBondContact O-N 3.4Å; M444-F447 HydrophobicContact SD-CD1 4.47Å; R445-F447 VanDerWaalsContact C-N 3.32Å; R445-F447 PolarHBondContact O-N 2.8Å; F447-Y450 HydrophobicContact CD2-CD1 4.08Å; F447-Y450 AromaticContact CE2-CD1 3.87Å; F447-Y450 HydrophobicContact CE2-CD1 3.87Å; F447-Y450 HydrophobicContact CE2-CE1 4.2Å; F447-Y450 WeakPolarHBondContact O-CB 3.49Å; F447-Y450 PolarHBondContact O-N 2.81Å; F447-Y451 WeakPolarHBondContact O-CB 3.37Å; F447-Y451 PolarHBondContact O-N 3.43Å; F447-L463 HydrophobicContact CE1-CD1 4.24Å; F447-L463 HydrophobicContact CZ-CD1 3.72Å; F447-Y466 AromaticContact CD2-CD1 3.84Å; F447-Y466 HydrophobicContact CD2-CD1 3.84Å; F447-Y466 HydrophobicContact CD2-CE1 4.47Å; F447-Y466 AromaticContact CD2-CG 3.97Å; F447-Y466 HydrophobicContact CD2-CG 3.97Å; F447-Y466 VanDerWaalsContact CE2-CB 3.43Å; F447-Y466 AromaticContact CE2-CD1 3.67Å; F447-Y466 HydrophobicContact CE2-CD1 3.67Å; F447-Y466 AromaticContact CE2-CD2 3.73Å; F447-Y466 HydrophobicContact CE2-CD2 3.73Å; F447-Y466 HydrophobicContact CE2-CE1 4.36Å; F447-Y466 HydrophobicContact CE2-CE2 4.42Å; F447-Y466 AromaticContact CE2-CG 3.33Å; F447-Y466 HydrophobicContact CE2-CG 3.33Å; F447-Y466 HydrophobicContact CZ-CD2 4.38Å; F447-Y466 HydrophobicContact CZ-CG 4.08Å; F447-L470 HydrophobicContact CB-CD1 4.17Å; F447-L470 HydrophobicContact CB-CD2 4.31Å; F447-L470 HydrophobicContact CD1-CD1 3.58Å; F447-L470 HydrophobicContact CD2-CD1 4.44Å; F447-L470 HydrophobicContact CE1-CD1 4.1Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; F447-L480 HydrophobicContact CD1-CD1 4.22Å; F447-L480 HydrophobicContact CD1-CD2 4.33Å; F447-L480 HydrophobicContact CE1-CD1 3.62Å; F447-L480 HydrophobicContact CE1-CD2 3.68Å; F447-L480 HydrophobicContact CE1-CG 4.26Å
448L97.1Very high92.3Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-63.4-42.3175.9-69.1-176.9000111.3L261 M444 R445 Y450 Y451 I452 P479 L480 I483 M623 L626L261-L448 HydrophobicContact CD1-CB 3.67Å; L261-L448 HydrophobicContact CD1-CD1 3.96Å; M444-L448 HydrophobicContact CG-CD1 4.21Å; M444-L448 HydrophobicContact CG-CG 4.2Å; M444-L448 VanDerWaalsContact O-CG 3.3Å; M444-L448 WeakPolarHBondContact O-CG 3.12Å; M444-L448 PolarHBondContact O-N 3.01Å; M444-L448 HydrophobicContact SD-CD1 4.49Å; M444-L448 HydrophobicContact SD-CD2 4.12Å; M444-L448 HydrophobicContact SD-CG 3.96Å; R445-L448 PolarHBondContact O-N 3.2Å; L448-Y450 PolarHBondContact O-N 3.43Å; L448-Y451 PolarHBondContact O-N 3.34Å; L448-I452 HydrophobicContact CB-CD1 4.48Å; L448-I452 WeakPolarHBondContact O-CB 3.42Å; L448-I452 WeakPolarHBondContact O-CD1 3.33Å; L448-I452 WeakPolarHBondContact O-CG1 3.32Å; L448-I452 PolarHBondContact O-N 3.29Å; L448-P479 HydrophobicContact CD1-CB 3.93Å; L448-L480 HydrophobicContact CD2-CB 4.09Å; L448-L480 HydrophobicContact CD2-CD1 4.05Å; L448-I483 HydrophobicContact CD1-CG1 4.44Å; L448-I483 HydrophobicContact CD2-CB 4.12Å; L448-I483 HydrophobicContact CD2-CG1 4.05Å; L448-I483 HydrophobicContact CD2-CG2 4.3Å; L448-M623 HydrophobicContact CD1-CE 3.99Å; L448-M623 HydrophobicContact CD1-SD 3.47Å; L448-M623 WeakPolarHBondContact CD1-SD 3.45Å; L448-L626 HydrophobicContact CD1-CD1 4.37Å
449I95.9Very high91.9Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-59.6-47.3175.4-69163.6000110.4L261 E415 L418 M419 R445 L446 Y451 I452 T453L261-I449 HydrophobicContact CB-CD1 4.04Å; L261-I449 HydrophobicContact CB-CG1 3.85Å; E415-I449 HydrophobicContact CB-CD1 4.16Å; E415-I449 VanDerWaalsContact CD-CD1 3.49Å; E415-I449 HydrophobicContact CG-CD1 3.65Å; L418-I449 HydrophobicContact CB-CG2 4.17Å; L418-I449 HydrophobicContact CD1-CG2 4.3Å; M419-I449 HydrophobicContact CG-CG2 3.91Å; M419-I449 HydrophobicContact SD-CG2 4.49Å; R445-I449 VanDerWaalsContact O-CG1 3.32Å; R445-I449 WeakPolarHBondContact O-CG1 3.29Å; R445-I449 PolarHBondContact O-N 3.18Å; L446-I449 PolarHBondContact O-N 2.89Å; I449-Y451 PolarHBondContact O-N 2.94Å; I449-I452 PolarHBondContact O-N 3Å; I449-T453 HydrophobicContact CG2-CG2 4.33Å; I449-T453 WeakPolarHBondContact O-CB 3.47Å; I449-T453 VanDerWaalsContact O-CG2 3.31Å; I449-T453 WeakPolarHBondContact O-CG2 3.41Å; I449-T453 PolarHBondContact O-N 3.23Å; I449-T453 PolarHBondContact O-OG1 3.45Å
450Y94.6Very high91.5Very high52 Ų5238.2 Ų38.220%0.20420%0.198CC..Hα-helixtrans-56.4-50.5173.1165.2-107.6000111.6L418 L428 L446 F447 L448 I452 T453 A454 P458 Y466L418-Y450 HydrophobicContact CD2-CD2 3.7Å; L418-Y450 HydrophobicContact CD2-CG 4.42Å; L428-Y450 VanDerWaalsContact CD2-CB 3.46Å; L428-Y450 HydrophobicContact CD2-CD1 3.96Å; L428-Y450 HydrophobicContact CD2-CD2 4.12Å; L428-Y450 HydrophobicContact CD2-CG 3.58Å; L446-Y450 PolarHBondContact O-N 3.35Å; F447-Y450 HydrophobicContact CD2-CD1 4.08Å; F447-Y450 AromaticContact CE2-CD1 3.87Å; F447-Y450 HydrophobicContact CE2-CD1 3.87Å; F447-Y450 HydrophobicContact CE2-CE1 4.2Å; F447-Y450 WeakPolarHBondContact O-CB 3.49Å; F447-Y450 PolarHBondContact O-N 2.81Å; L448-Y450 PolarHBondContact O-N 3.43Å; Y450-I452 VanDerWaalsContact C-N 3.33Å; Y450-I452 PolarHBondContact O-N 2.96Å; Y450-T453 PolarHBondContact O-N 2.91Å; Y450-T453 PolarHBondContact O-OG1 3.27Å; Y450-A454 VanDerWaalsContact O-CB 3.23Å; Y450-A454 WeakPolarHBondContact O-CB 3.49Å; Y450-A454 PolarHBondContact O-N 3.19Å; Y450-P458 HydrophobicContact CE1-CG 3.85Å; Y450-Y466 HydrophobicContact CE1-CE2 4.23Å
451Y94.1Very high91.2Very high9 Ų939.2 Ų39.24%0.03521%0.206CC..Hα-helixtrans-63.4-38.2-178.5-173.5-89.7000112F447 L448 I449 V457 P458 L463 L480 I483 K484 K487F447-Y451 WeakPolarHBondContact O-CB 3.37Å; F447-Y451 PolarHBondContact O-N 3.43Å; L448-Y451 PolarHBondContact O-N 3.34Å; I449-Y451 PolarHBondContact O-N 2.94Å; Y451-V457 HydrophobicContact CE2-CG1 4.03Å; Y451-P458 HydrophobicContact CD2-CG 4.28Å; Y451-L463 HydrophobicContact CD2-CD1 4.48Å; Y451-L463 HydrophobicContact CE2-CD1 4.45Å; Y451-L480 HydrophobicContact CG-CD1 4.44Å; Y451-I483 HydrophobicContact CD1-CG2 3.73Å; Y451-I483 HydrophobicContact CE1-CG2 4.19Å; Y451-K484 HydrophobicContact CE1-CG 4.19Å; Y451-K484 HydrophobicContact CE2-CG 4.42Å; Y451-K487 HydrophobicContact CD1-CD 3.98Å; Y451-K487 HydrophobicContact CE1-CB 3.99Å; Y451-K487 HydrophobicContact CE1-CD 3.63Å; Y451-K487 HydrophobicContact CE1-CG 4.31Å; Y451-K487 WeakPolarHBondContact O-CD 3.36Å; Y451-K487 WeakPolarHBondContact O-CE 3.36Å; Y451-K487 PolarHBondContact O-NZ 3.49Å
452I92.8Very high90.8Very high23 Ų2339.4 Ų39.412%0.11821%0.209CC..Hα-helixtrans-68.3-48.8178.5-69.8159.5000110.2M257 A258 L261 L448 I449 Y450 I483 W486 K487M257-I452 HydrophobicContact CB-CD1 3.73Å; M257-I452 HydrophobicContact CB-CG1 4.46Å; A258-I452 HydrophobicContact CB-CG2 4.03Å; L261-I452 HydrophobicContact CD1-CD1 3.83Å; L448-I452 HydrophobicContact CB-CD1 4.48Å; L448-I452 WeakPolarHBondContact O-CB 3.42Å; L448-I452 WeakPolarHBondContact O-CD1 3.33Å; L448-I452 WeakPolarHBondContact O-CG1 3.32Å; L448-I452 PolarHBondContact O-N 3.29Å; I449-I452 PolarHBondContact O-N 3Å; Y450-I452 VanDerWaalsContact C-N 3.33Å; Y450-I452 PolarHBondContact O-N 2.96Å; I452-I483 HydrophobicContact CD1-CD1 4.29Å; I452-I483 HydrophobicContact CD1-CG2 4.32Å; I452-I483 HydrophobicContact CG1-CG2 3.79Å; I452-W486 HydrophobicContact CB-CZ3 4.49Å; I452-W486 HydrophobicContact CG1-CZ3 4.04Å; I452-W486 HydrophobicContact CG2-CH2 4.06Å; I452-W486 HydrophobicContact CG2-CZ3 4.01Å; I452-K487 PolarHBondContact O-NZ 3Å
453T89.9Confident90.5Very high33 Ų3339.5 Ų39.520%0.20221%0.209CC..Hα-helixtrans-78.8-18.7-17458.20000114.1A258 M419 I449 Y450 Q455A258-T453 HydrophobicContact CB-CG2 4.34Å; M419-T453 HydrophobicContact CG-CG2 4.3Å; I449-T453 HydrophobicContact CG2-CG2 4.33Å; I449-T453 WeakPolarHBondContact O-CB 3.47Å; I449-T453 VanDerWaalsContact O-CG2 3.31Å; I449-T453 WeakPolarHBondContact O-CG2 3.41Å; I449-T453 PolarHBondContact O-N 3.23Å; I449-T453 PolarHBondContact O-OG1 3.45Å; Y450-T453 PolarHBondContact O-N 2.91Å; Y450-T453 PolarHBondContact O-OG1 3.27Å; T453-Q455 PolarHBondContact O-N 2.98Å
454A86.5Confident90.4Very high19 Ų1943.7 Ų43.716%0.15723%0.229CC..  trans-58126.6179.800000112.4Y450 Q456 K487Y450-A454 VanDerWaalsContact O-CB 3.23Å; Y450-A454 WeakPolarHBondContact O-CB 3.49Å; Y450-A454 PolarHBondContact O-N 3.19Å; A454-Q456 WeakPolarHBondContact CB-O 3.37Å; A454-Q456 PolarHBondContact O-N 3.03Å; A454-K487 PolarHBondContact O-NZ 3.48Å
455Q77.7Confident90.2Very high131 Ų13148.7 Ų48.761%0.61225%0.252SS*.SBendtrans-64.1-42.4179.1-64.7-177.12.600111.6T453T453-Q455 PolarHBondContact O-N 2.98Å
456Q79.2Confident90.1Very high163 Ų16349.9 Ų49.976%0.76226%0.257SS*.SBendtrans-110.2142.6173.7-63.6-172.6-4.900109A454A454-Q456 WeakPolarHBondContact CB-O 3.37Å; A454-Q456 PolarHBondContact O-N 3.03Å
457V78.8Confident90Very high58 Ų5852.1 Ų52.135%0.35227%0.265SS..PPolyproline II helixtrans-67.7134.6175.2174.30000106.8Y451Y451-V457 HydrophobicContact CE2-CG1 4.03Å
458P82.9Confident90Very high13 Ų1358.4 Ų58.48%0.08429%0.293CS..PPolyproline II helixtrans-51.7148175-2634.2000111.4Y450 Y451 D462Y450-P458 HydrophobicContact CE1-CG 3.85Å; Y451-P458 HydrophobicContact CD2-CG 4.28Å; P458-D462 HydrophobicContact CB-CB 4.37Å
459S87.3Confident90Very high49 Ų4959.3 Ų59.334%0.34330%0.301SS..PPolyproline II helixtrans-59.7152.3174.274.10000110S461 D462 L463S459-S461 PolarHBondContact O-N 2.88Å; S459-S461 PolarHBondContact OG-OG 3.46Å; S459-D462 PolarHBondContact O-N 3.05Å; S459-D462 PolarHBondContact OG-N 2.97Å; S459-D462 PolarHBondContact OG-OD1 3.26Å; S459-D462 PolarHBondContact OG-OD2 3.2Å; S459-L463 WeakPolarHBondContact O-CB 3.35Å; S459-L463 PolarHBondContact O-N 3.17Å
460E88.2Confident90Very high120 Ų12059.3 Ų59.356%0.56130%0.301SS*.Hα-helixtrans-58.9-32.6178.9-76.8-68.4157.200111.7E464 K484E460-E464 WeakPolarHBondContact O-CB 3.45Å; E460-E464 PolarHBondContact O-N 3.33Å; E460-K484 IonicContact OE1-NZ 3.91Å
461S89.3Confident90.1Very high76 Ų7661.4 Ų61.453%0.53132%0.315SS..Hα-helixtrans-66.2-41173.948.30000113.2S459 Q465S459-S461 PolarHBondContact O-N 2.88Å; S459-S461 PolarHBondContact OG-OG 3.46Å; S461-Q465 WeakPolarHBondContact O-CG 3.36Å; S461-Q465 PolarHBondContact O-N 2.97Å
462D89.3Confident90.2Very high66 Ų6666.7 Ų66.735%0.35334%0.343SS..Hα-helixtrans-70-42.1177.3-58.6-32.6000110.1P458 S459 E464 Q465 Y466P458-D462 HydrophobicContact CB-CB 4.37Å; S459-D462 PolarHBondContact O-N 3.05Å; S459-D462 PolarHBondContact OG-N 2.97Å; S459-D462 PolarHBondContact OG-OD1 3.26Å; S459-D462 PolarHBondContact OG-OD2 3.2Å; D462-E464 VanDerWaalsContact C-N 3.26Å; D462-E464 PolarHBondContact O-N 3.31Å; D462-Q465 WeakPolarHBondContact O-CB 3.35Å; D462-Q465 PolarHBondContact O-N 3.25Å; D462-Q465 VanDerWaalsContact O-N 3.14Å; D462-Y466 WeakPolarHBondContact O-CD2 3.39Å; D462-Y466 PolarHBondContact O-N 3Å
463L91.8Very high90.4Very high1 Ų166.3 Ų66.31%0.00534%0.344CS..Hα-helixtrans-59.9-38.9178.5-174.162.1000111.7F447 Y451 S459 Y466 R467 K484F447-L463 HydrophobicContact CE1-CD1 4.24Å; F447-L463 HydrophobicContact CZ-CD1 3.72Å; Y451-L463 HydrophobicContact CD2-CD1 4.48Å; Y451-L463 HydrophobicContact CE2-CD1 4.45Å; S459-L463 WeakPolarHBondContact O-CB 3.35Å; S459-L463 PolarHBondContact O-N 3.17Å; L463-Y466 PolarHBondContact O-N 3.42Å; L463-R467 WeakPolarHBondContact O-CG 3.32Å; L463-R467 PolarHBondContact O-N 2.89Å; L463-K484 HydrophobicContact CD2-CD 4.14Å; L463-K484 VanDerWaalsContact CD2-NZ 3.26Å
464E93.9Very high90.7Very high102 Ų10271.5 Ų71.548%0.47737%0.37SS..Hα-helixtrans-69.1-33.9177.4-162.557.2-152.400112.4E460 D462 R467 K468E460-E464 WeakPolarHBondContact O-CB 3.45Å; E460-E464 PolarHBondContact O-N 3.33Å; D462-E464 VanDerWaalsContact C-N 3.26Å; D462-E464 PolarHBondContact O-N 3.31Å; E464-R467 PolarHBondContact O-N 3.46Å; E464-R467 VanDerWaalsContact OE2-CD 3.3Å; E464-R467 WeakPolarHBondContact OE2-CD 3.41Å; E464-R467 IonicContact OE2-NH1 3.05Å; E464-R467 PolarHBondContact OE2-NH1 2.9Å; E464-R467 VanDerWaalsContact OE2-NH1 3.11Å; E464-K468 WeakPolarHBondContact O-CB 3.39Å; E464-K468 PolarHBondContact O-N 3.3Å
465Q94.4Very high91.1Very high108 Ų10870.9 Ų70.951%0.50537%0.365SS..Hα-helixtrans-63.2-45.5171.4-68.2173.229.300111.5S461 D462 K468 A469S461-Q465 WeakPolarHBondContact O-CG 3.36Å; S461-Q465 PolarHBondContact O-N 2.97Å; D462-Q465 WeakPolarHBondContact O-CB 3.35Å; D462-Q465 PolarHBondContact O-N 3.25Å; D462-Q465 VanDerWaalsContact O-N 3.14Å; Q465-K468 PolarHBondContact O-N 3.49Å; Q465-A469 PolarHBondContact O-N 3.05Å
466Y95.1Very high92Very high24 Ų2468.2 Ų68.29%0.09436%0.355CS..Hα-helixtrans-63.1-42.3175.9-75.1-69.3000112.2L428 L429 I432 F447 Y450 D462 L463 K468 A469 L470L428-Y466 HydrophobicContact CB-CE1 3.74Å; L429-Y466 HydrophobicContact CD2-CD1 3.42Å; L429-Y466 VanDerWaalsContact CD2-CD1 3.42Å; L429-Y466 HydrophobicContact CD2-CE1 3.56Å; L429-Y466 HydrophobicContact CD2-CG 4.12Å; L429-Y466 HydrophobicContact CG-CD1 4.01Å; L429-Y466 HydrophobicContact CG-CE1 3.58Å; I432-Y466 HydrophobicContact CD1-CD1 3.9Å; I432-Y466 HydrophobicContact CD1-CE1 4.27Å; F447-Y466 AromaticContact CD2-CD1 3.84Å; F447-Y466 HydrophobicContact CD2-CD1 3.84Å; F447-Y466 HydrophobicContact CD2-CE1 4.47Å; F447-Y466 AromaticContact CD2-CG 3.97Å; F447-Y466 HydrophobicContact CD2-CG 3.97Å; F447-Y466 VanDerWaalsContact CE2-CB 3.43Å; F447-Y466 AromaticContact CE2-CD1 3.67Å; F447-Y466 HydrophobicContact CE2-CD1 3.67Å; F447-Y466 AromaticContact CE2-CD2 3.73Å; F447-Y466 HydrophobicContact CE2-CD2 3.73Å; F447-Y466 HydrophobicContact CE2-CE1 4.36Å; F447-Y466 HydrophobicContact CE2-CE2 4.42Å; F447-Y466 AromaticContact CE2-CG 3.33Å; F447-Y466 HydrophobicContact CE2-CG 3.33Å; F447-Y466 HydrophobicContact CZ-CD2 4.38Å; F447-Y466 HydrophobicContact CZ-CG 4.08Å; Y450-Y466 HydrophobicContact CE1-CE2 4.23Å; D462-Y466 WeakPolarHBondContact O-CD2 3.39Å; D462-Y466 PolarHBondContact O-N 3Å; L463-Y466 PolarHBondContact O-N 3.42Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.98Å; Y466-A469 PolarHBondContact O-N 3.3Å; Y466-L470 WeakPolarHBondContact O-CB 3.22Å; Y466-L470 WeakPolarHBondContact O-CD1 3.49Å; Y466-L470 WeakPolarHBondContact O-CG 3.29Å; Y466-L470 PolarHBondContact O-N 2.71Å
467R95.5Very high92.8Very high47 Ų4761.8 Ų61.818%0.17733%0.325CS..Hα-helixtrans-58.9-45.6175.9-79.1170.4164.9178.6-7.1112.2L463 E464 L470 L471 L477 L480L463-R467 WeakPolarHBondContact O-CG 3.32Å; L463-R467 PolarHBondContact O-N 2.89Å; E464-R467 PolarHBondContact O-N 3.46Å; E464-R467 VanDerWaalsContact OE2-CD 3.3Å; E464-R467 WeakPolarHBondContact OE2-CD 3.41Å; E464-R467 IonicContact OE2-NH1 3.05Å; E464-R467 PolarHBondContact OE2-NH1 2.9Å; E464-R467 VanDerWaalsContact OE2-NH1 3.11Å; R467-L470 PolarHBondContact O-N 3.16Å; R467-L471 WeakPolarHBondContact O-CB 3.39Å; R467-L471 WeakPolarHBondContact O-CG 3.43Å; R467-L471 PolarHBondContact O-N 2.74Å; R467-L477 HydrophobicContact CB-CD1 4.33Å; R467-L477 HydrophobicContact CG-CD1 4.24Å; R467-L480 HydrophobicContact CG-CD2 4.21Å
468K96.2Very high93.7Very high132 Ų13259.9 Ų59.957%0.57432%0.315SS*.Hα-helixtrans-60.5-49176.8-174-178.8175.7-174.80111E464 Q465 Y466 L470 L471 D472E464-K468 WeakPolarHBondContact O-CB 3.39Å; E464-K468 PolarHBondContact O-N 3.3Å; Q465-K468 PolarHBondContact O-N 3.49Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.98Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.26Å; K468-L471 PolarHBondContact O-N 3.5Å; K468-D472 WeakPolarHBondContact O-CB 3.33Å; K468-D472 PolarHBondContact O-N 3.16Å
469A96.3Very high94.3Very high20 Ų2059.4 Ų59.417%0.16531%0.312CS..Hα-helixtrans-61.3-37.7178.700000112.8L429 I432 Q465 Y466 A473L429-A469 HydrophobicContact CD2-CB 3.94Å; I432-A469 HydrophobicContact CG2-CB 3.86Å; Q465-A469 PolarHBondContact O-N 3.05Å; Y466-A469 PolarHBondContact O-N 3.3Å; A469-A473 WeakPolarHBondContact O-CB 3.15Å; A469-A473 PolarHBondContact O-N 2.73Å; A469-A473 VanDerWaalsContact O-N 3.1Å
470L96.8Very high94.8Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-68.1-42.5176-72.8165.2000111.9I432 K443 M444 F447 Y466 R467 K468 A473 D474 C475 L477I432-L470 HydrophobicContact CD1-CD2 4.36Å; I432-L470 HydrophobicContact CG2-CD2 3.89Å; I432-L470 HydrophobicContact CG2-CG 4.14Å; K443-L470 HydrophobicContact CB-CD2 4.34Å; M444-L470 HydrophobicContact CE-CD1 4.14Å; M444-L470 HydrophobicContact SD-CD1 4.33Å; F447-L470 HydrophobicContact CB-CD1 4.17Å; F447-L470 HydrophobicContact CB-CD2 4.31Å; F447-L470 HydrophobicContact CD1-CD1 3.58Å; F447-L470 HydrophobicContact CD2-CD1 4.44Å; F447-L470 HydrophobicContact CE1-CD1 4.1Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; Y466-L470 WeakPolarHBondContact O-CB 3.22Å; Y466-L470 WeakPolarHBondContact O-CD1 3.49Å; Y466-L470 WeakPolarHBondContact O-CG 3.29Å; Y466-L470 PolarHBondContact O-N 2.71Å; R467-L470 PolarHBondContact O-N 3.16Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.26Å; L470-A473 CarbonylContact O-C 3.53Å; L470-A473 WeakPolarHBondContact O-CA 3.25Å; L470-A473 PolarHBondContact O-N 2.71Å; L470-D474 PolarHBondContact O-N 2.91Å; L470-C475 HydrophobicContact CB-CB 3.98Å; L470-C475 HydrophobicContact CD2-CB 4.22Å; L470-C475 WeakPolarHBondContact O-CB 3.39Å; L470-C475 PolarHBondContact O-N 3.02Å; L470-C475 PolarHBondContact O-SG 3.03Å; L470-L477 HydrophobicContact CB-CD2 3.86Å; L470-L477 HydrophobicContact CD1-CD2 4.27Å
471L96.8Very high95.1Very high95 Ų9554.1 Ų54.150%0.49728%0.284SS..Hα-helixtrans-65.2-42.3175-74.5169.9000112R467 K468 A473 D474 L477R467-L471 WeakPolarHBondContact O-CB 3.39Å; R467-L471 WeakPolarHBondContact O-CG 3.43Å; R467-L471 PolarHBondContact O-N 2.74Å; K468-L471 PolarHBondContact O-N 3.5Å; L471-A473 PolarHBondContact O-N 3.12Å; L471-D474 PolarHBondContact O-N 2.66Å; L471-L477 HydrophobicContact CD1-CD1 3.87Å; L471-L477 HydrophobicContact CD2-CD1 3.82Å; L471-L477 HydrophobicContact CD2-CG 3.85Å; L471-L477 HydrophobicContact CG-CD1 3.72Å; L471-L477 HydrophobicContact CG-CD2 4.48Å; L471-L477 HydrophobicContact CG-CG 4.09Å
472D96.4Very high95.4Very high120 Ų12051.8 Ų51.864%0.64226%0.263SS*.Hα-helixtrans-63.2-22.2175.2-68.2-16.2000111.4K468K468-D472 WeakPolarHBondContact O-CB 3.33Å; K468-D472 PolarHBondContact O-N 3.16Å
473A95.6Very high95.7Very high16 Ų1648.6 Ų48.613%0.13225%0.246CC..THydrogen-bonded Turntrans-96.718.617300000113.6P440 K443 A469 L470 L471 C475P440-A473 WeakPolarHBondContact CB-O 3.18Å; P440-A473 WeakPolarHBondContact CG-O 3.32Å; K443-A473 HydrophobicContact CD-CB 3.78Å; A469-A473 WeakPolarHBondContact O-CB 3.15Å; A469-A473 PolarHBondContact O-N 2.73Å; A469-A473 VanDerWaalsContact O-N 3.1Å; L470-A473 CarbonylContact O-C 3.53Å; L470-A473 WeakPolarHBondContact O-CA 3.25Å; L470-A473 PolarHBondContact O-N 2.71Å; L471-A473 PolarHBondContact O-N 3.12Å; A473-C475 VanDerWaalsContact C-N 3.26Å; A473-C475 PolarHBondContact O-N 3.27Å
474D96.3Very high95.8Very high141 Ų14150.7 Ų50.775%0.75426%0.255SS*.THydrogen-bonded Turntrans58.827.5178.4-64.9-44.5000115.1P440 L470 L471P440-D474 HydrophobicContact CG-CB 4.4Å; L470-D474 PolarHBondContact O-N 2.91Å; L471-D474 PolarHBondContact O-N 2.66Å
475C96.2Very high95.7Very high6 Ų649.1 Ų49.14%0.04125%0.248CC..  trans-80.1136.2178.9-58.30000112.1P440 M444 L470 A473 L477P440-C475 PolarHBondContact O-SG 3.33Å; M444-C475 HydrophobicContact CE-CB 4.09Å; L470-C475 HydrophobicContact CB-CB 3.98Å; L470-C475 HydrophobicContact CD2-CB 4.22Å; L470-C475 WeakPolarHBondContact O-CB 3.39Å; L470-C475 PolarHBondContact O-N 3.02Å; L470-C475 PolarHBondContact O-SG 3.03Å; A473-C475 VanDerWaalsContact C-N 3.26Å; A473-C475 PolarHBondContact O-N 3.27Å; C475-L477 PolarHBondContact O-N 3.02Å
476D95Very high95.6Very high75 Ų7545.5 Ų45.540%0.40123%0.23SC..  trans-70.7119.5166.3172.223.3000110.6M444 S478 P479 S627M444-D476 WeakPolarHBondContact CE-O 3.46Å; D476-S478 VanDerWaalsContact C-N 3.34Å; D476-S478 VanDerWaalsContact OD1-CB 3.24Å; D476-S478 WeakPolarHBondContact OD1-CB 3.37Å; D476-S478 PolarHBondContact OD1-N 2.82Å; D476-S478 PolarHBondContact OD1-OG 2.95Å; D476-P479 WeakPolarHBondContact O-CD 3.46Å; D476-S627 WeakPolarHBondContact OD2-CB 3.21Å; D476-S627 PolarHBondContact OD2-OG 2.97Å
477L96.5Very high95.4Very high28 Ų2845 Ų4515%0.14723%0.228CC..  trans-82.2-5.9179.9-61.1-170.2000114.2M444 R467 L470 L471 C475 L480 N481M444-L477 HydrophobicContact CE-CD2 3.65Å; R467-L477 HydrophobicContact CB-CD1 4.33Å; R467-L477 HydrophobicContact CG-CD1 4.24Å; L470-L477 HydrophobicContact CB-CD2 3.86Å; L470-L477 HydrophobicContact CD1-CD2 4.27Å; L471-L477 HydrophobicContact CD1-CD1 3.87Å; L471-L477 HydrophobicContact CD2-CD1 3.82Å; L471-L477 HydrophobicContact CD2-CG 3.85Å; L471-L477 HydrophobicContact CG-CD1 3.72Å; L471-L477 HydrophobicContact CG-CD2 4.48Å; L471-L477 HydrophobicContact CG-CG 4.09Å; C475-L477 PolarHBondContact O-N 3.02Å; L477-L480 WeakPolarHBondContact O-CB 3.47Å; L477-L480 PolarHBondContact O-N 3.13Å; L477-L480 VanDerWaalsContact O-N 3.12Å; L477-N481 PolarHBondContact O-N 2.89Å; L477-N481 VanDerWaalsContact O-N 3.17Å
478S97.1Very high95Very high19 Ų1945.1 Ų45.113%0.13324%0.239CC..Hα-helixtrans-57.2-46.4-178.1-48.70000112.9D476 L480 N481 Y482 S627 G630D476-S478 VanDerWaalsContact C-N 3.34Å; D476-S478 VanDerWaalsContact OD1-CB 3.24Å; D476-S478 WeakPolarHBondContact OD1-CB 3.37Å; D476-S478 PolarHBondContact OD1-N 2.82Å; D476-S478 PolarHBondContact OD1-OG 2.95Å; S478-L480 VanDerWaalsContact C-N 3.26Å; S478-L480 PolarHBondContact O-N 2.91Å; S478-N481 WeakPolarHBondContact O-CB 3.4Å; S478-N481 PolarHBondContact O-N 2.88Å; S478-Y482 PolarHBondContact O-N 2.78Å; S478-S627 WeakPolarHBondContact CB-O 3.44Å; S478-G630 WeakPolarHBondContact O-CA 3.48Å
479P97.3Very high94.5Very high2 Ų245.1 Ų45.11%0.01324%0.24CC..Hα-helixtrans-53.9-40.4174.6-2735.7000113.5L448 D476 N481 Y482 I483 M623 L626L448-P479 HydrophobicContact CD1-CB 3.93Å; D476-P479 WeakPolarHBondContact O-CD 3.46Å; P479-N481 VanDerWaalsContact C-N 3.35Å; P479-N481 PolarHBondContact O-N 2.82Å; P479-Y482 PolarHBondContact O-N 2.8Å; P479-I483 WeakPolarHBondContact O-CG1 3.25Å; P479-I483 PolarHBondContact O-N 2.84Å; P479-M623 HydrophobicContact CB-CE 3.85Å; P479-M623 HydrophobicContact CB-SD 4.3Å; P479-M623 HydrophobicContact CG-CE 3.66Å; P479-L626 HydrophobicContact CB-CB 3.94Å
480L96Very high93.8Very high0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-64-40.3177.4175.560.5000111.5M444 F447 L448 Y451 R467 L477 S478 Y482 I483 K484M444-L480 HydrophobicContact CE-CB 4.48Å; M444-L480 HydrophobicContact SD-CB 4.47Å; F447-L480 HydrophobicContact CD1-CD1 4.22Å; F447-L480 HydrophobicContact CD1-CD2 4.33Å; F447-L480 HydrophobicContact CE1-CD1 3.62Å; F447-L480 HydrophobicContact CE1-CD2 3.68Å; F447-L480 HydrophobicContact CE1-CG 4.26Å; L448-L480 HydrophobicContact CD2-CB 4.09Å; L448-L480 HydrophobicContact CD2-CD1 4.05Å; Y451-L480 HydrophobicContact CG-CD1 4.44Å; R467-L480 HydrophobicContact CG-CD2 4.21Å; L477-L480 WeakPolarHBondContact O-CB 3.47Å; L477-L480 PolarHBondContact O-N 3.13Å; L477-L480 VanDerWaalsContact O-N 3.12Å; S478-L480 VanDerWaalsContact C-N 3.26Å; S478-L480 PolarHBondContact O-N 2.91Å; L480-Y482 VanDerWaalsContact C-N 3.27Å; L480-Y482 PolarHBondContact O-N 3.42Å; L480-I483 PolarHBondContact O-N 2.8Å; L480-K484 HydrophobicContact CD1-CG 4.1Å; L480-K484 HydrophobicContact CG-CG 4.4Å; L480-K484 WeakPolarHBondContact O-CB 3.28Å; L480-K484 WeakPolarHBondContact O-CG 3.15Å; L480-K484 PolarHBondContact O-N 2.97Å
481N95.1Very high92.8Very high59 Ų5951.8 Ų51.832%0.31627%0.27SS..Hα-helixtrans-59.9-39.8178.3-66.8-27.2000111.9L477 S478 P479 Q485L477-N481 PolarHBondContact O-N 2.89Å; L477-N481 VanDerWaalsContact O-N 3.17Å; S478-N481 WeakPolarHBondContact O-CB 3.4Å; S478-N481 PolarHBondContact O-N 2.88Å; P479-N481 VanDerWaalsContact C-N 3.35Å; P479-N481 PolarHBondContact O-N 2.82Å; N481-Q485 WeakPolarHBondContact O-CG 3.44Å; N481-Q485 PolarHBondContact O-N 3.46Å; N481-Q485 PolarHBondContact O-NE2 2.82Å
482Y96.3Very high91.6Very high26 Ų2653.8 Ų53.810%0.10228%0.278CS..Hα-helixtrans-70.3-48.3175.6-174.5-100.6000111.9Y163 N167 S478 P479 L480 K484 Q485 W486 L626 L629Y163-Y482 AromaticContact CE1-CE1 3.77Å; Y163-Y482 HydrophobicContact CE1-CE1 3.77Å; Y163-Y482 PolarHBondContact OH-OH 3.38Å; N167-Y482 WeakPolarHBondContact CB-OH 3.11Å; S478-Y482 PolarHBondContact O-N 2.78Å; P479-Y482 PolarHBondContact O-N 2.8Å; L480-Y482 VanDerWaalsContact C-N 3.27Å; L480-Y482 PolarHBondContact O-N 3.42Å; Y482-K484 VanDerWaalsContact C-N 3.27Å; Y482-K484 PolarHBondContact O-N 2.78Å; Y482-Q485 WeakPolarHBondContact O-CA 3.41Å; Y482-Q485 WeakPolarHBondContact O-CB 3.45Å; Y482-Q485 PolarHBondContact O-N 3.05Å; Y482-W486 HydrophobicContact CE1-CB 4.48Å; Y482-W486 PolarHBondContact O-N 2.9Å; Y482-L626 HydrophobicContact CD1-CD2 3.74Å; Y482-L626 HydrophobicContact CE1-CD2 4.03Å; Y482-L629 HydrophobicContact CD1-CB 4.32Å; Y482-L629 HydrophobicContact CD1-CD1 4.27Å; Y482-L629 HydrophobicContact CD2-CB 3.35Å; Y482-L629 HydrophobicContact CD2-CD1 4.26Å; Y482-L629 HydrophobicContact CD2-CG 4.37Å; Y482-L629 HydrophobicContact CE1-CD1 3.8Å; Y482-L629 HydrophobicContact CE2-CB 3.59Å; Y482-L629 HydrophobicContact CE2-CD1 3.78Å; Y482-L629 HydrophobicContact CE2-CG 4.16Å; Y482-L629 HydrophobicContact CG-CB 3.73Å; Y482-L629 HydrophobicContact CG-CD1 4.47Å
483I95.6Very high89.9Confident0 Ų052.3 Ų52.30%028%0.283CS..Hα-helixtrans-61.3-33.6179.9-69.1-64.2000112.2M257 L448 Y451 I452 P479 L480 W486 K487 L626M257-I483 HydrophobicContact CB-CD1 4.4Å; M257-I483 HydrophobicContact CG-CD1 4.45Å; L448-I483 HydrophobicContact CD1-CG1 4.44Å; L448-I483 HydrophobicContact CD2-CB 4.12Å; L448-I483 HydrophobicContact CD2-CG1 4.05Å; L448-I483 HydrophobicContact CD2-CG2 4.3Å; Y451-I483 HydrophobicContact CD1-CG2 3.73Å; Y451-I483 HydrophobicContact CE1-CG2 4.19Å; I452-I483 HydrophobicContact CD1-CD1 4.29Å; I452-I483 HydrophobicContact CD1-CG2 4.32Å; I452-I483 HydrophobicContact CG1-CG2 3.79Å; P479-I483 WeakPolarHBondContact O-CG1 3.25Å; P479-I483 PolarHBondContact O-N 2.84Å; L480-I483 PolarHBondContact O-N 2.8Å; I483-W486 HydrophobicContact CG2-CE3 4.49Å; I483-K487 WeakPolarHBondContact O-CB 3.35Å; I483-K487 PolarHBondContact O-N 2.98Å; I483-L626 HydrophobicContact CD1-CD1 4.1Å; I483-L626 HydrophobicContact CD1-CD2 4.18Å; I483-L626 HydrophobicContact CG1-CD1 4.23Å
484K93.6Very high88.2Confident45 Ų4555.1 Ų55.120%0.19630%0.302CS..Hα-helixtrans-58.6-46.3171-76.7-171.672.7169.40111.6Y451 E460 L463 L480 Y482 A488Y451-K484 HydrophobicContact CE1-CG 4.19Å; Y451-K484 HydrophobicContact CE2-CG 4.42Å; E460-K484 IonicContact OE1-NZ 3.91Å; L463-K484 HydrophobicContact CD2-CD 4.14Å; L463-K484 VanDerWaalsContact CD2-NZ 3.26Å; L480-K484 HydrophobicContact CD1-CG 4.1Å; L480-K484 HydrophobicContact CG-CG 4.4Å; L480-K484 WeakPolarHBondContact O-CB 3.28Å; L480-K484 WeakPolarHBondContact O-CG 3.15Å; L480-K484 PolarHBondContact O-N 2.97Å; Y482-K484 VanDerWaalsContact C-N 3.27Å; Y482-K484 PolarHBondContact O-N 2.78Å; K484-A488 PolarHBondContact O-N 2.75Å; K484-A488 VanDerWaalsContact O-N 3.13Å
485Q91.6Very high85.5Confident68 Ų6850.7 Ų50.732%0.31829%0.289SS..Hα-helixtrans-65.7-49.9179-65.8171.843.200110.7N481 Y482 K487 A488 F489N481-Q485 WeakPolarHBondContact O-CG 3.44Å; N481-Q485 PolarHBondContact O-N 3.46Å; N481-Q485 PolarHBondContact O-NE2 2.82Å; Y482-Q485 WeakPolarHBondContact O-CA 3.41Å; Y482-Q485 WeakPolarHBondContact O-CB 3.45Å; Y482-Q485 PolarHBondContact O-N 3.05Å; Q485-K487 VanDerWaalsContact C-N 3.33Å; Q485-K487 PolarHBondContact O-N 2.82Å; Q485-A488 WeakPolarHBondContact O-CB 3.28Å; Q485-A488 PolarHBondContact O-N 2.82Å; Q485-A488 VanDerWaalsContact O-N 3.11Å; Q485-F489 HydrophobicContact CB-CE2 4.35Å; Q485-F489 WeakPolarHBondContact O-CD2 3.27Å; Q485-F489 PolarHBondContact O-N 3.42Å
486W92.6Very high82.4Confident32 Ų3257.3 Ų57.312%0.12133%0.332CS..Hα-helixtrans-54.4-46.3177168.784000112.3N254 M257 I452 Y482 I483 A488 F489 T490N254-W486 WeakPolarHBondContact O-CZ2 3.42Å; N254-W486 PolarHBondContact O-NE1 2.82Å; N254-W486 VanDerWaalsContact OD1-CD1 3.31Å; N254-W486 PolarHBondContact OD1-NE1 3.34Å; M257-W486 HydrophobicContact CB-CH2 4.24Å; M257-W486 HydrophobicContact CB-CZ2 4.36Å; M257-W486 HydrophobicContact CB-CZ3 4.48Å; M257-W486 HydrophobicContact CE-CG 4.37Å; M257-W486 HydrophobicContact CG-CD2 3.99Å; M257-W486 HydrophobicContact CG-CE3 4.3Å; M257-W486 HydrophobicContact CG-CH2 3.95Å; M257-W486 HydrophobicContact CG-CZ2 3.6Å; M257-W486 HydrophobicContact CG-CZ3 4.28Å; I452-W486 HydrophobicContact CB-CZ3 4.49Å; I452-W486 HydrophobicContact CG1-CZ3 4.04Å; I452-W486 HydrophobicContact CG2-CH2 4.06Å; I452-W486 HydrophobicContact CG2-CZ3 4.01Å; Y482-W486 HydrophobicContact CE1-CB 4.48Å; Y482-W486 PolarHBondContact O-N 2.9Å; I483-W486 HydrophobicContact CG2-CE3 4.49Å; W486-A488 VanDerWaalsContact C-N 3.32Å; W486-A488 PolarHBondContact O-N 3.26Å; W486-F489 PolarHBondContact O-N 3.24Å; W486-T490 PolarHBondContact O-N 2.96Å; W486-T490 PolarHBondContact O-OG1 3.13Å
487K89.9Confident79.3Confident14 Ų1457.7 Ų57.76%0.06135%0.346CS..Hα-helixtrans-66.6-34.2179.8-172.8160.5-178.41580112.2Y451 I452 A454 I483 Q485 K491Y451-K487 HydrophobicContact CD1-CD 3.98Å; Y451-K487 HydrophobicContact CE1-CB 3.99Å; Y451-K487 HydrophobicContact CE1-CD 3.63Å; Y451-K487 HydrophobicContact CE1-CG 4.31Å; Y451-K487 WeakPolarHBondContact O-CD 3.36Å; Y451-K487 WeakPolarHBondContact O-CE 3.36Å; Y451-K487 PolarHBondContact O-NZ 3.49Å; I452-K487 PolarHBondContact O-NZ 3Å; A454-K487 PolarHBondContact O-NZ 3.48Å; I483-K487 WeakPolarHBondContact O-CB 3.35Å; I483-K487 PolarHBondContact O-N 2.98Å; Q485-K487 VanDerWaalsContact C-N 3.33Å; Q485-K487 PolarHBondContact O-N 2.82Å; K487-K491 WeakPolarHBondContact O-CG 3.47Å; K487-K491 PolarHBondContact O-N 2.83Å; K487-K491 VanDerWaalsContact O-N 3.16Å
488A87.9Confident76Confident50 Ų5064.6 Ų64.641%0.41338%0.383SS..Hα-helixtrans-66.3-45.5174.100000111.6K484 Q485 W486 K491 M492K484-A488 PolarHBondContact O-N 2.75Å; K484-A488 VanDerWaalsContact O-N 3.13Å; Q485-A488 WeakPolarHBondContact O-CB 3.28Å; Q485-A488 PolarHBondContact O-N 2.82Å; Q485-A488 VanDerWaalsContact O-N 3.11Å; W486-A488 VanDerWaalsContact C-N 3.32Å; W486-A488 PolarHBondContact O-N 3.26Å; A488-K491 PolarHBondContact O-N 3.44Å; A488-M492 WeakPolarHBondContact O-CG 3.4Å; A488-M492 PolarHBondContact O-N 3.4Å; A488-M492 VanDerWaalsContact O-N 3.14Å
489F85Confident73Confident132 Ų13273.5 Ų73.558%0.57942%0.415SS*.Hα-helixtrans-61.1-44.2175.4-75.6-64.7000112.4Q485 W486 K491 M492 A493Q485-F489 HydrophobicContact CB-CE2 4.35Å; Q485-F489 WeakPolarHBondContact O-CD2 3.27Å; Q485-F489 PolarHBondContact O-N 3.42Å; W486-F489 PolarHBondContact O-N 3.24Å; F489-K491 VanDerWaalsContact C-N 3.33Å; F489-K491 PolarHBondContact O-N 3.45Å; F489-M492 HydrophobicContact CD1-CE 3.66Å; F489-M492 HydrophobicContact CE1-CE 4.08Å; F489-M492 HydrophobicContact CG-CE 4.31Å; F489-M492 PolarHBondContact O-N 3.09Å; F489-M492 VanDerWaalsContact O-N 3.13Å; F489-A493 PolarHBondContact O-N 3.49Å
490T81.6Confident69.5Low61 Ų6176.6 Ų76.637%0.37445%0.447SS..Hα-helixtrans-60.1-42.8178.9-56.20000111.5W486 M492 A493 S494W486-T490 PolarHBondContact O-N 2.96Å; W486-T490 PolarHBondContact O-OG1 3.13Å; T490-M492 VanDerWaalsContact C-N 3.35Å; T490-M492 PolarHBondContact O-N 3.14Å; T490-A493 PolarHBondContact O-N 3.26Å; T490-S494 WeakPolarHBondContact O-CB 3.37Å; T490-S494 PolarHBondContact O-N 2.7Å; T490-S494 PolarHBondContact O-OG 3.17Å; T490-S494 VanDerWaalsContact O-OG 3.09Å
491K76.8Confident66.3Low98 Ų9884.3 Ų84.343%0.42649%0.488SS..Hα-helixtrans-64.7-35.4175.8-78.1-171174.9-166.10113.5K487 A488 F489 S494K487-K491 WeakPolarHBondContact O-CG 3.47Å; K487-K491 PolarHBondContact O-N 2.83Å; K487-K491 VanDerWaalsContact O-N 3.16Å; A488-K491 PolarHBondContact O-N 3.44Å; F489-K491 VanDerWaalsContact C-N 3.33Å; F489-K491 PolarHBondContact O-N 3.45Å; K491-S494 WeakPolarHBondContact CA-OG 3.39Å; K491-S494 PolarHBondContact O-OG 3.25Å
492M70.3Confident63Low137 Ų13786.7 Ų86.768%0.67551%0.51SS*.Hα-helixtrans-71.8-36.2176.9-71.4-173.4-69.600111.9A488 F489 T490A488-M492 WeakPolarHBondContact O-CG 3.4Å; A488-M492 PolarHBondContact O-N 3.4Å; A488-M492 VanDerWaalsContact O-N 3.14Å; F489-M492 HydrophobicContact CD1-CE 3.66Å; F489-M492 HydrophobicContact CE1-CE 4.08Å; F489-M492 HydrophobicContact CG-CE 4.31Å; F489-M492 PolarHBondContact O-N 3.09Å; F489-M492 VanDerWaalsContact O-N 3.13Å; T490-M492 VanDerWaalsContact C-N 3.35Å; T490-M492 PolarHBondContact O-N 3.14Å
493A62.2Low59.6Low90 Ų9088.5 Ų88.574%0.74454%0.536SS*.Hα-helixtrans-70.3-33.4175.700000112.4F489 T490 G495F489-A493 PolarHBondContact O-N 3.49Å; T490-A493 PolarHBondContact O-N 3.26Å; A493-G495 PolarHBondContact O-N 2.97Å
494S58.7Low56.4Low75 Ų7595.2 Ų95.252%0.52458%0.577SS.*SBendtrans-86.665.2177.867.50000112.7T490 K491T490-S494 WeakPolarHBondContact O-CB 3.37Å; T490-S494 PolarHBondContact O-N 2.7Å; T490-S494 PolarHBondContact O-OG 3.17Å; T490-S494 VanDerWaalsContact O-OG 3.09Å; K491-S494 WeakPolarHBondContact CA-OG 3.39Å; K491-S494 PolarHBondContact O-OG 3.25Å
495G39.2Very low53.2Low47 Ų47102.1 Ų102.149%0.48561%0.607SS.*  trans-43154.2176.700000113.6A493 A497A493-G495 PolarHBondContact O-N 2.97Å; G495-A497 PolarHBondContact O-N 3.12Å
496P31.1Very low50.1Low145 Ų145105 Ų10594%0.94263%0.632SS**  trans-62.796.7-158.426.1-34000112.6
497A31.1Very low46.9Very low84 Ų84112.3 Ų112.369%0.69467%0.669SS**  trans-95.7119.2173.400000109.6G495 Y499G495-A497 PolarHBondContact O-N 3.12Å; A497-Y499 PolarHBondContact O-N 2.52Å
498N27.2Very low44Very low172 Ų172114.5 Ų114.592%0.9270%0.696SS**  trans-52.6126.6178.2-99.2-18.4000112.2G500N498-G500 PolarHBondContact O-N 3.48Å
499Y32.9Very low41.3Very low206 Ų206119.7 Ų119.781%0.80872%0.716SS**  trans-66.8113.2176.7-93.7-105.3000111.7A497A497-Y499 PolarHBondContact O-N 2.52Å
500G25.6Very low38.5Very low67 Ų67122.1 Ų122.169%0.69173%0.727SS**  trans-89.7104.2163.200000110.5N498 S502N498-G500 PolarHBondContact O-N 3.48Å; G500-S502 PolarHBondContact O-N 3.24Å; G500-S502 VanDerWaalsContact O-N 3.11Å
501N27.7Very low35.8Very low162 Ų162123.6 Ų123.687%0.86674%0.74SS**  trans-60.4104175.3-16538000110.9
502S25.8Very low33.6Very low110 Ų110130.2 Ų130.277%0.76976%0.762SS**  trans-117.780.1169.6-62.80000109.2G500 V504G500-S502 PolarHBondContact O-N 3.24Å; G500-S502 VanDerWaalsContact O-N 3.11Å; S502-V504 PolarHBondContact O-N 2.83Å
503G26.3Very low31.7Very low64 Ų64130.3 Ų130.366%0.6677%0.77SS**  trans-65.8116.2171.700000110.5K505G503-K505 PolarHBondContact O-N 3.3Å
504V27.6Very low30.1Very low140 Ų140134.4 Ų134.485%0.84878%0.776SS**  trans-79.7114.9169.1-174.20000107.2S502S502-V504 PolarHBondContact O-N 2.83Å
505K26.2Very low28.8Very low190 Ų190138 Ų13883%0.82679%0.789SS**PPolyproline II helixtrans-68.6132177.2-65.5-180179.1178.30110G503 M507G503-K505 PolarHBondContact O-N 3.3Å; K505-M507 PolarHBondContact O-N 2.88Å
506P27.6Very low28.5Very low130 Ų130141.8 Ų141.884%0.84480%0.803SS**PPolyproline II helixtrans-75.3116167.928.5-28.5000109.2
507M25.2Very low28.2Very low184 Ų184138.3 Ų138.391%0.90679%0.794SS**PPolyproline II helixtrans-80.7125.1168.2-105.8-72.8175.600108.9K505K505-M507 PolarHBondContact O-N 2.88Å
508G28.9Very low28.3Very low61 Ų61140.2 Ų140.263%0.62980%0.802SS**PPolyproline II helixtrans-87.2138.9175.300000112.9
509L30.4Very low28.7Very low158 Ų158140.2 Ų140.283%0.82780%0.796SS**  trans178.6131.9162.5-106.6126.4000104.5
510F26.6Very low28.7Very low183 Ų183139.5 Ų139.580%0.80380%0.798SS**  cis-163.3154.82.2-144.1-106.8000107.3
511S25.5Very low29.4Very low93 Ų93140.9 Ų140.965%0.6579%0.793SS**  trans-79.2153.1170.354.80000113.1
512R30.5Very low30.1Very low237 Ų237135.8 Ų135.889%0.89476%0.764SS**  trans92.3112149-149.6-178.8-131.9164.22.1116.6
513V30Very low30.8Very low138 Ų138138.5 Ų138.584%0.83677%0.765SS**  -165.1122.4107.4160.90000108.7
514M28.4Very low31.7Very low177 Ų177138 Ų13887%0.87276%0.76SS**  trans-83.5139155.8-80.8172.3161.300107.9
515N31.4Very low32.6Very low149 Ų149132.7 Ų132.780%0.79773%0.728SS**  -175.9136.1109.1-123.2-3.6000114.2
516T31.7Very low33.4Very low128 Ų128129 Ų12979%0.78571%0.711SS**  trans75.6107.7142-30.30000120.4
517G26.3Very low34.3Very low72 Ų72130.1 Ų130.174%0.74271%0.71SS**  12764.9127.400000119.5
518S32.3Very low35.6Very low123 Ų123122.8 Ų122.886%0.8667%0.674SS**  trans163.1102.6131.159.40000110.7
519Q34.8Very low36.5Very low173 Ų173122.7 Ų122.781%0.80867%0.674SS**  trans-71.7125.8169.6-78.3169.9-41.100109.4
520F34.2Very low37.8Very low191 Ų191118.2 Ų118.284%0.83865%0.65SS**SBend-175.4116.9115.3-105.4-83.7000108.1
521V39.6Very low39.4Very low96 Ų96116 Ų11658%0.58264%0.64SS**SBendtrans77.346166.2-153.10000119
522M42.9Very low41Very low55 Ų55120.1 Ų120.127%0.27165%0.649SS.*  trans-134.5-2.9169.2-98.9-179.9170.700115.7A328 E329 G524 V525 K526A328-M522 HydrophobicContact CB-CE 3.41Å; A328-M522 VanDerWaalsContact CB-CE 3.41Å; E329-M522 HydrophobicContact CG-CE 3.62Å; E329-M522 HydrophobicContact CG-SD 3.87Å; M522-G524 PolarHBondContact O-N 3.43Å; M522-V525 PolarHBondContact O-N 3.29Å; M522-K526 HydrophobicContact CB-CD 4.29Å; M522-K526 HydrophobicContact CB-CG 4.45Å; M522-K526 WeakPolarHBondContact O-CG 3.41Å; M522-K526 PolarHBondContact O-N 3.11Å
523E41.2Very low43.2Very low167 Ų167113.5 Ų113.578%0.7863%0.629SS**THydrogen-bonded Turntrans-75.5-25.3-165.8-149.6164.2-17100114.2
524G44.9Very low45.9Very low54 Ų54110.6 Ų110.656%0.55761%0.608SS**THydrogen-bonded Turntrans-78-20.1174.200000114.7M522M522-G524 PolarHBondContact O-N 3.43Å
525V45.9Very low48.9Very low28 Ų28103.4 Ų103.417%0.1757%0.573CS.*THydrogen-bonded Turntrans-104.3-22.8-168-166.70000111.4W265 P325 M522 N527W265-V525 HydrophobicContact CH2-CG1 4.34Å; W265-V525 HydrophobicContact CZ2-CB 4.47Å; W265-V525 HydrophobicContact CZ2-CG1 3.35Å; P325-V525 HydrophobicContact CB-CG1 4.48Å; P325-V525 HydrophobicContact CG-CG1 3.63Å; M522-V525 PolarHBondContact O-N 3.29Å; V525-N527 PolarHBondContact O-N 3.49Å
526K42.7Very low51.8Low112 Ų11297.6 Ų97.649%0.48754%0.543SS..THydrogen-bonded Turntrans-71.6-22-174.8-86-175.4173.3-165.10115.7E329 M522E329-K526 WeakPolarHBondContact OE1-CE 3.35Å; E329-K526 IonicContact OE1-NZ 2.8Å; E329-K526 PolarHBondContact OE1-NZ 3.14Å; M522-K526 HydrophobicContact CB-CD 4.29Å; M522-K526 HydrophobicContact CB-CG 4.45Å; M522-K526 WeakPolarHBondContact O-CG 3.41Å; M522-K526 PolarHBondContact O-N 3.11Å
527N46.3Very low54.7Low153 Ų15391.9 Ų91.982%0.81851%0.508SS*.THydrogen-bonded Turntrans-95.4-0.9-178.2-74.2-21.8000114.2V525 G529V525-N527 PolarHBondContact O-N 3.49Å; N527-G529 VanDerWaalsContact C-N 3.25Å; N527-G529 PolarHBondContact O-N 3.28Å; N527-G529 VanDerWaalsContact O-N 3.12Å
528L52.5Low58Low30 Ų3088.5 Ų88.516%0.15747%0.473CS..  trans-87.659177.1-66169.7000110.8W265 D409 F412 E413 L530W265-L528 HydrophobicContact CH2-CD1 4.49Å; W265-L528 HydrophobicContact CZ2-CD1 3.89Å; D409-L528 HydrophobicContact CB-CD1 4Å; F412-L528 HydrophobicContact CD1-CB 4.43Å; F412-L528 HydrophobicContact CD1-CD1 4.34Å; F412-L528 HydrophobicContact CD1-CD2 4.4Å; F412-L528 HydrophobicContact CE1-CB 4.34Å; E413-L528 HydrophobicContact CB-CD2 4.01Å; E413-L528 HydrophobicContact CG-CD2 4.09Å; L528-L530 PolarHBondContact O-N 3.01Å
529G49.3Very low60.9Low60 Ų6087.7 Ų87.762%0.61945%0.452SS*.  trans-64.2125.3175.700000111N527 K531N527-G529 VanDerWaalsContact C-N 3.25Å; N527-G529 PolarHBondContact O-N 3.28Å; N527-G529 VanDerWaalsContact O-N 3.12Å; G529-K531 PolarHBondContact O-N 3.42Å; G529-K531 VanDerWaalsContact O-N 3.14Å
530L56.3Low63.7Low63 Ų6379.5 Ų79.533%0.3341%0.413SS..  trans-58.7115.6173.7-68.3179.4000109.5W265 T266 P323 F412 L528 Q532W265-L530 HydrophobicContact CB-CD2 3.8Å; W265-L530 HydrophobicContact CB-CG 4.45Å; T266-L530 HydrophobicContact CG2-CD1 3.57Å; P323-L530 HydrophobicContact CB-CD1 4.46Å; P323-L530 HydrophobicContact CG-CD1 4.02Å; P323-L530 HydrophobicContact CG-CG 4.47Å; F412-L530 HydrophobicContact CE1-CD2 4.34Å; F412-L530 HydrophobicContact CE2-CD2 4.13Å; F412-L530 HydrophobicContact CZ-CD2 3.47Å; F412-L530 VanDerWaalsContact CZ-CD2 3.47Å; L528-L530 PolarHBondContact O-N 3.01Å; L530-Q532 PolarHBondContact O-N 3.45Å
531K59.8Low66.6Low136 Ų13670.4 Ų70.459%0.59137%0.373SS*.  trans-74.2124.3169.3-70.5179.4-176.9168.60108G529 H533G529-K531 PolarHBondContact O-N 3.42Å; G529-K531 VanDerWaalsContact O-N 3.14Å; K531-H533 WeakPolarHBondContact CB-NE2 3.44Å; K531-H533 PolarHBondContact O-N 2.85Å
532Q60.2Low69.2Low180 Ų18066.7 Ų66.784%0.84135%0.35SS*.  trans-6994.1176.2-73-177.9-5.600110.2L530L530-Q532 PolarHBondContact O-N 3.45Å
533H77Confident71.6Confident99 Ų9964.8 Ų64.846%0.45834%0.341SS..  trans-110.9131.4170.8-69.3-60.7000109.8K531 L535 N596K531-H533 WeakPolarHBondContact CB-NE2 3.44Å; K531-H533 PolarHBondContact O-N 2.85Å; H533-L535 PolarHBondContact O-N 3.3Å; H533-N596 PolarHBondContact O-ND2 2.99Å
534N86.3Confident74.1Confident77 Ų7757 Ų5741%0.41231%0.305SS..  trans-72.1118.4171.5-71.7-9000108.8T538 R539N534-T538 HydrophobicContact CB-CG2 3.95Å; N534-R539 HydrophobicContact CB-CG 3.66Å; N534-R539 WeakPolarHBondContact O-CD 3.34Å
535L91.4Very high76.3Confident26 Ų2654.5 Ų54.514%0.13628%0.279CS..  trans-63.9162173.7-64.9178.2000111T259 H533 V537 T538 R539 I592 E593 N596T259-L535 HydrophobicContact CG2-CD1 3.72Å; T259-L535 HydrophobicContact CG2-CD2 4.42Å; H533-L535 PolarHBondContact O-N 3.3Å; L535-V537 VanDerWaalsContact C-N 3.33Å; L535-V537 PolarHBondContact O-N 2.88Å; L535-T538 WeakPolarHBondContact O-CB 3.41Å; L535-T538 PolarHBondContact O-N 3.49Å; L535-R539 WeakPolarHBondContact O-CG 3.37Å; L535-R539 PolarHBondContact O-N 3.36Å; L535-I592 HydrophobicContact CD1-CG2 4.09Å; L535-E593 HydrophobicContact CD1-CG 4.45Å; L535-N596 WeakPolarHBondContact CB-OD1 3.41Å; L535-N596 HydrophobicContact CD1-CB 3.64Å; L535-N596 HydrophobicContact CG-CB 4.01Å; L535-N596 WeakPolarHBondContact CG-OD1 3.41Å; L535-N596 PolarHBondContact N-OD1 2.97Å
536P91.7Very high78.4Confident26 Ų2655.5 Ų55.517%0.16928%0.282CS..Hα-helixtrans-47.5-50.5179.9-30.237.1000113.9D256 T538 R539 I540D256-P536 HydrophobicContact CB-CB 4.19Å; D256-P536 HydrophobicContact CB-CG 4.09Å; D256-P536 WeakPolarHBondContact OD2-CD 3.47Å; D256-P536 WeakPolarHBondContact OD2-CG 3.36Å; P536-T538 PolarHBondContact O-N 3.11Å; P536-R539 PolarHBondContact O-N 3.42Å; P536-I540 WeakPolarHBondContact O-CD1 3.07Å; P536-I540 WeakPolarHBondContact O-CG1 3.47Å; P536-I540 PolarHBondContact O-N 3.32Å
537V93.8Very high80.4Confident8 Ų852.7 Ų52.75%0.04827%0.271CS..Hα-helixtrans-57.8-46.3177.6176.70000111.5L535 R539 I540 V541 V583 L597L535-V537 VanDerWaalsContact C-N 3.33Å; L535-V537 PolarHBondContact O-N 2.88Å; V537-R539 VanDerWaalsContact C-N 3.34Å; V537-R539 PolarHBondContact O-N 3.28Å; V537-I540 WeakPolarHBondContact O-CB 3.47Å; V537-I540 PolarHBondContact O-N 3.04Å; V537-V541 HydrophobicContact CG1-CG2 4.45Å; V537-V541 WeakPolarHBondContact O-CG2 3.31Å; V537-V541 PolarHBondContact O-N 3.25Å; V537-V583 HydrophobicContact CG1-CG1 3.56Å; V537-L597 HydrophobicContact CG1-CD1 4.29Å
538T94.9Very high82.3Confident1 Ų149.7 Ų49.71%0.00625%0.25CS..Hα-helixtrans-62.7-38.1178.4-54.30000112.7N534 L535 P536 V541 D542 N596 L597 Y600N534-T538 HydrophobicContact CB-CG2 3.95Å; L535-T538 WeakPolarHBondContact O-CB 3.41Å; L535-T538 PolarHBondContact O-N 3.49Å; P536-T538 PolarHBondContact O-N 3.11Å; T538-V541 PolarHBondContact O-N 3.4Å; T538-D542 PolarHBondContact O-N 3.04Å; T538-N596 VanDerWaalsContact CB-OD1 3.25Å; T538-N596 WeakPolarHBondContact CB-OD1 3.45Å; T538-N596 PolarHBondContact OG1-OD1 3.3Å; T538-L597 HydrophobicContact CG2-CD2 4.23Å; T538-Y600 HydrophobicContact CG2-CD2 3.94Å; T538-Y600 HydrophobicContact CG2-CG 3.76Å
539R93.5Very high83.7Confident107 Ų10752.7 Ų52.740%0.40427%0.274SS..Hα-helixtrans-66.4-43.1176.1-66.3-178.7-60.2155.412.8111.7N534 L535 P536 V537 V541 D542 N543 E552N534-R539 HydrophobicContact CB-CG 3.66Å; N534-R539 WeakPolarHBondContact O-CD 3.34Å; L535-R539 WeakPolarHBondContact O-CG 3.37Å; L535-R539 PolarHBondContact O-N 3.36Å; P536-R539 PolarHBondContact O-N 3.42Å; V537-R539 VanDerWaalsContact C-N 3.34Å; V537-R539 PolarHBondContact O-N 3.28Å; R539-V541 VanDerWaalsContact C-N 3.3Å; R539-V541 PolarHBondContact O-N 3.5Å; R539-D542 PolarHBondContact O-N 2.94Å; R539-N543 WeakPolarHBondContact O-CB 3.27Å; R539-N543 PolarHBondContact O-N 2.95Å; R539-N543 PolarHBondContact O-ND2 2.93Å; R539-E552 IonicContact NH2-OE1 3.66Å; R539-E552 PolarHBondContact NH2-OE1 3.14Å
540I94Very high85.2Confident1 Ų153.9 Ų53.91%0.00526%0.263CS..Hα-helixtrans-58.6-46.4174.7-69.5158.2000110.1V249 M255 P536 V537 N543 L544 E552 T553 Y556V249-I540 HydrophobicContact CG1-CG2 3.92Å; M255-I540 HydrophobicContact CE-CD1 3.38Å; M255-I540 HydrophobicContact CE-CG1 4.48Å; M255-I540 HydrophobicContact SD-CD1 4.2Å; P536-I540 WeakPolarHBondContact O-CD1 3.07Å; P536-I540 WeakPolarHBondContact O-CG1 3.47Å; P536-I540 PolarHBondContact O-N 3.32Å; V537-I540 WeakPolarHBondContact O-CB 3.47Å; V537-I540 PolarHBondContact O-N 3.04Å; I540-N543 PolarHBondContact O-N 3.42Å; I540-L544 HydrophobicContact CG2-CD1 3.74Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CB 3.16Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.34Å; I540-L544 PolarHBondContact O-N 3.42Å; I540-E552 HydrophobicContact CG1-CG 4.06Å; I540-T553 HydrophobicContact CB-CG2 4.3Å; I540-T553 HydrophobicContact CG1-CG2 4.28Å; I540-T553 HydrophobicContact CG2-CG2 4.06Å; I540-Y556 HydrophobicContact CG2-CE1 3.96Å; I540-Y556 WeakPolarHBondContact CG2-OH 3.38Å
541V95.3Very high86.4Confident0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-62.3-47.9178.8173.20000111.1V249 V537 T538 R539 N543 L544 M545 A581 V583 L597 Y600V249-V541 HydrophobicContact CG1-CG2 4.41Å; V537-V541 HydrophobicContact CG1-CG2 4.45Å; V537-V541 WeakPolarHBondContact O-CG2 3.31Å; V537-V541 PolarHBondContact O-N 3.25Å; T538-V541 PolarHBondContact O-N 3.4Å; R539-V541 VanDerWaalsContact C-N 3.3Å; R539-V541 PolarHBondContact O-N 3.5Å; V541-N543 VanDerWaalsContact C-N 3.34Å; V541-N543 PolarHBondContact O-N 3.46Å; V541-L544 PolarHBondContact O-N 3.01Å; V541-M545 HydrophobicContact CG1-CG 4.05Å; V541-M545 HydrophobicContact CG1-SD 3.48Å; V541-M545 WeakPolarHBondContact CG1-SD 3.33Å; V541-M545 VanDerWaalsContact O-CB 3.25Å; V541-M545 WeakPolarHBondContact O-CB 3.31Å; V541-M545 WeakPolarHBondContact O-CG 3.23Å; V541-M545 PolarHBondContact O-N 3.06Å; V541-A581 HydrophobicContact CG1-CB 4.38Å; V541-V583 HydrophobicContact CB-CG2 4.49Å; V541-V583 HydrophobicContact CG1-CG2 4.26Å; V541-V583 HydrophobicContact CG2-CB 4.36Å; V541-V583 HydrophobicContact CG2-CG1 4.01Å; V541-V583 HydrophobicContact CG2-CG2 3.4Å; V541-L597 HydrophobicContact CB-CD2 4.29Å; V541-L597 HydrophobicContact CG1-CD2 4.41Å; V541-L597 HydrophobicContact CG2-CD2 4.15Å; V541-Y600 HydrophobicContact CG1-CE1 4.41Å
542D93.9Very high87.3Confident17 Ų1753.1 Ų53.19%0.09127%0.27CS..Hα-helixtrans-58.4-45.6176.2-17468.4000111.7T538 R539 E546 K548 Y600T538-D542 PolarHBondContact O-N 3.04Å; R539-D542 PolarHBondContact O-N 2.94Å; D542-E546 VanDerWaalsContact O-CB 3.24Å; D542-E546 WeakPolarHBondContact O-CB 3.29Å; D542-E546 VanDerWaalsContact O-CG 3.23Å; D542-E546 WeakPolarHBondContact O-CG 3.27Å; D542-E546 PolarHBondContact O-N 3.2Å; D542-K548 IonicContact OD2-NZ 3.74Å; D542-K548 PolarHBondContact OD2-NZ 3.24Å; D542-Y600 WeakPolarHBondContact CA-OH 3.24Å; D542-Y600 HydrophobicContact CB-CE2 3.71Å; D542-Y600 WeakPolarHBondContact OD1-CE2 3.25Å; D542-Y600 PolarHBondContact OD1-OH 3.11Å
543N92.7Very high88.5Confident16 Ų1644.7 Ų44.79%0.08623%0.23CC..Hα-helixtrans-63.1-45.5-179.5-70.6-26.7000112R539 I540 V541 M547 K548 T553R539-N543 WeakPolarHBondContact O-CB 3.27Å; R539-N543 PolarHBondContact O-N 2.95Å; R539-N543 PolarHBondContact O-ND2 2.93Å; I540-N543 PolarHBondContact O-N 3.42Å; V541-N543 VanDerWaalsContact C-N 3.34Å; V541-N543 PolarHBondContact O-N 3.46Å; N543-M547 WeakPolarHBondContact O-CA 3.49Å; N543-M547 PolarHBondContact O-N 3.13Å; N543-K548 PolarHBondContact O-N 3.48Å; N543-T553 HydrophobicContact CB-CG2 3.89Å
544L92.8Very high88.8Confident4 Ų443.8 Ų43.82%0.02123%0.229CC..Hα-helixtrans-72.8-38.9-179.3-67.7174.2000112.6R201 L247 V249 I540 V541 M547 T553 Y556R201-L544 HydrophobicContact CB-CD1 4.11Å; L247-L544 HydrophobicContact CD2-CB 3.9Å; V249-L544 HydrophobicContact CB-CD1 4.37Å; V249-L544 HydrophobicContact CG1-CD1 3.67Å; V249-L544 HydrophobicContact CG2-CB 4.48Å; V249-L544 HydrophobicContact CG2-CD1 3.84Å; I540-L544 HydrophobicContact CG2-CD1 3.74Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CB 3.16Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.34Å; I540-L544 PolarHBondContact O-N 3.42Å; V541-L544 PolarHBondContact O-N 3.01Å; L544-M547 PolarHBondContact O-N 2.75Å; L544-T553 HydrophobicContact CD2-CG2 4.27Å; L544-T553 HydrophobicContact CG-CG2 4.06Å; L544-Y556 HydrophobicContact CD1-CD1 3.72Å; L544-Y556 HydrophobicContact CD1-CE1 3.89Å; L544-Y556 HydrophobicContact CD1-CG 4.46Å; L544-Y556 HydrophobicContact CD2-CD1 4.45Å; L544-Y556 HydrophobicContact CD2-CG 4.47Å
545M92.4Very high88.8Confident0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-66.7-39.1177.2-72.6-176.379.500111.8L247 V541 M547 P577 F578 A581 Y600 R607 V609L247-M545 HydrophobicContact CD2-CG 4.05Å; V541-M545 HydrophobicContact CG1-CG 4.05Å; V541-M545 HydrophobicContact CG1-SD 3.48Å; V541-M545 WeakPolarHBondContact CG1-SD 3.33Å; V541-M545 VanDerWaalsContact O-CB 3.25Å; V541-M545 WeakPolarHBondContact O-CB 3.31Å; V541-M545 WeakPolarHBondContact O-CG 3.23Å; V541-M545 PolarHBondContact O-N 3.06Å; M545-M547 VanDerWaalsContact C-N 3.31Å; M545-P577 CarbonylContact O-C 3.57Å; M545-P577 WeakPolarHBondContact O-CA 3.38Å; M545-P577 WeakPolarHBondContact O-CB 3.45Å; M545-F578 WeakPolarHBondContact CE-O 3.42Å; M545-F578 HydrophobicContact CG-CB 4.48Å; M545-F578 PolarHBondContact O-N 2.94Å; M545-A581 HydrophobicContact CE-CB 3.81Å; M545-A581 HydrophobicContact CG-CB 3.81Å; M545-A581 HydrophobicContact SD-CB 3.43Å; M545-A581 WeakPolarHBondContact SD-CB 3.32Å; M545-Y600 HydrophobicContact SD-CE1 4.29Å; M545-R607 HydrophobicContact CE-CB 4.28Å; M545-R607 HydrophobicContact CE-CG 4.39Å; M545-V609 HydrophobicContact SD-CG2 4.15Å
546E89.9Confident88.8Confident50 Ų5044.7 Ų44.723%0.23423%0.233CC..THydrogen-bonded Turntrans-84.7-3177.8-62-63.5165.200113.5D542 K548 R607D542-E546 VanDerWaalsContact O-CB 3.24Å; D542-E546 WeakPolarHBondContact O-CB 3.29Å; D542-E546 VanDerWaalsContact O-CG 3.23Å; D542-E546 WeakPolarHBondContact O-CG 3.27Å; D542-E546 PolarHBondContact O-N 3.2Å; E546-K548 HydrophobicContact CB-CD 3.94Å; E546-K548 HydrophobicContact CB-CG 3.8Å; E546-K548 PolarHBondContact O-N 3.46Å; E546-R607 IonicContact OE1-CZ 3.18Å; E546-R607 IonicContact OE1-NE 2.69Å; E546-R607 IonicContact OE1-NH2 2.79Å; E546-R607 PolarHBondContact OE1-NH2 2.96Å; E546-R607 IonicContact OE2-NH2 3.36Å; E546-R607 PolarHBondContact OE2-NH2 3.34Å
547M85.4Confident88.9Confident53 Ų5346.1 Ų46.126%0.26124%0.235SC..THydrogen-bonded Turntrans54.335.5-175-59.1-71.5-159.300113N543 L544 M545 F578N543-M547 WeakPolarHBondContact O-CA 3.49Å; N543-M547 PolarHBondContact O-N 3.13Å; L544-M547 PolarHBondContact O-N 2.75Å; M545-M547 VanDerWaalsContact C-N 3.31Å; M547-F578 HydrophobicContact CE-CD2 3.71Å; M547-F578 HydrophobicContact CE-CE2 3.02Å; M547-F578 HydrophobicContact CE-CZ 3.54Å; M547-F578 HydrophobicContact SD-CD2 4.46Å; M547-F578 HydrophobicContact SD-CE2 3.96Å
548K85.2Confident88.8Confident90 Ų9047 Ų4739%0.39124%0.238SC..  trans-78.1133.5175.7-66.6169.9-172.7164.50109D542 N543 E546D542-K548 IonicContact OD2-NZ 3.74Å; D542-K548 PolarHBondContact OD2-NZ 3.24Å; N543-K548 PolarHBondContact O-N 3.48Å; E546-K548 HydrophobicContact CB-CD 3.94Å; E546-K548 HydrophobicContact CB-CG 3.8Å; E546-K548 PolarHBondContact O-N 3.46Å
549S81.1Confident88.7Confident92 Ų9247.8 Ų47.864%0.64324%0.241SC*.  trans-78.4122.6169.5-177.90000108.7D554S549-D554 VanDerWaalsContact CA-OD1 3.22Å; S549-D554 WeakPolarHBondContact CA-OD1 2.96Å; S549-D554 WeakPolarHBondContact CB-OD1 3.34Å; S549-D554 VanDerWaalsContact OG-CG 3.32Å; S549-D554 PolarHBondContact OG-OD1 2.95Å; S549-D554 PolarHBondContact OG-OD2 3.17Å; S549-D554 VanDerWaalsContact OG-OD2 3.13Å
550Q82.9Confident88.6Confident86 Ų8643.4 Ų43.440%0.40223%0.226SC..  trans-147.9140.9-179.7-76.4-67.5-7.900107.7E552 T553 D554Q550-E552 PolarHBondContact O-N 2.72Å; Q550-T553 PolarHBondContact O-N 2.88Å; Q550-T553 PolarHBondContact O-OG1 3.27Å; Q550-D554 PolarHBondContact N-OD1 3.14Å; Q550-D554 PolarHBondContact O-N 3.01Å
551P80.8Confident88.4Confident109 Ų10943.3 Ų43.371%0.70823%0.225SC*.Hα-helixtrans-53.8-32.4-178.5-2734.3000113.9T553P551-T553 VanDerWaalsContact C-N 3.29Å; P551-T553 PolarHBondContact O-N 3.22Å
552E79.1Confident88Confident74 Ų7448.8 Ų48.835%0.34625%0.249SC..Hα-helixtrans-68.3-24.4179.4-171173.4-155.100113.3R539 I540 Q550 Y556R539-E552 IonicContact NH2-OE1 3.66Å; R539-E552 PolarHBondContact NH2-OE1 3.14Å; I540-E552 HydrophobicContact CG1-CG 4.06Å; Q550-E552 PolarHBondContact O-N 2.72Å; E552-Y556 WeakPolarHBondContact O-CE2 3.37Å
553T85.4Confident87.5Confident3 Ų351.7 Ų51.72%0.01826%0.263CS..Hα-helixtrans-123.8-7.8-173.355.20000114.6I540 N543 L544 Q550 P551 D555 Y556I540-T553 HydrophobicContact CB-CG2 4.3Å; I540-T553 HydrophobicContact CG1-CG2 4.28Å; I540-T553 HydrophobicContact CG2-CG2 4.06Å; N543-T553 HydrophobicContact CB-CG2 3.89Å; L544-T553 HydrophobicContact CD2-CG2 4.27Å; L544-T553 HydrophobicContact CG-CG2 4.06Å; Q550-T553 PolarHBondContact O-N 2.88Å; Q550-T553 PolarHBondContact O-OG1 3.27Å; P551-T553 VanDerWaalsContact C-N 3.29Å; P551-T553 PolarHBondContact O-N 3.22Å; T553-D555 VanDerWaalsContact C-N 3.28Å; T553-D555 PolarHBondContact O-N 3.48Å; T553-Y556 WeakPolarHBondContact O-CB 3.34Å; T553-Y556 PolarHBondContact O-N 3.44Å
554D83.6Confident86.4Confident80 Ų8054.5 Ų54.543%0.42828%0.278SS..Hα-helixtrans-64.8-33.1-178.1-74.2-21.1000112.1S549 Q550 Y556S549-D554 VanDerWaalsContact CA-OD1 3.22Å; S549-D554 WeakPolarHBondContact CA-OD1 2.96Å; S549-D554 WeakPolarHBondContact CB-OD1 3.34Å; S549-D554 VanDerWaalsContact OG-CG 3.32Å; S549-D554 PolarHBondContact OG-OD1 2.95Å; S549-D554 PolarHBondContact OG-OD2 3.17Å; S549-D554 VanDerWaalsContact OG-OD2 3.13Å; Q550-D554 PolarHBondContact N-OD1 3.14Å; Q550-D554 PolarHBondContact O-N 3.01Å; D554-Y556 VanDerWaalsContact C-N 3.31Å; D554-Y556 PolarHBondContact O-N 3.09Å
555D85.2Confident84.9Confident112 Ų11266.4 Ų66.460%0.59932%0.323SS*.THydrogen-bonded Turntrans-83.3-4.6-179.8-70.5-26.2000114.2R204 T553 R557R204-D555 PolarHBondContact NE-O 3.43Å; T553-D555 VanDerWaalsContact C-N 3.28Å; T553-D555 PolarHBondContact O-N 3.48Å; D555-R557 PolarHBondContact O-N 3.23Å
556Y92.1Very high83.1Confident10 Ų1068.1 Ų68.14%0.03934%0.34CS..  trans-63122.7179.7-89.5-124000110.9R201 C202 P203 V249 M255 I540 L544 E552 T553 D554R201-Y556 HydrophobicContact CB-CD1 4.12Å; R201-Y556 PolarHBondContact NE-O 2.9Å; R201-Y556 PolarHBondContact NH2-O 2.77Å; C202-Y556 VanDerWaalsContact C-CD1 3.42Å; C202-Y556 CarbonylContact O-C 3.48Å; C202-Y556 WeakPolarHBondContact O-CA 3.32Å; P203-Y556 HydrophobicContact CB-CE2 4.18Å; V249-Y556 HydrophobicContact CG1-CE1 4.4Å; M255-Y556 HydrophobicContact CE-CE2 4.41Å; M255-Y556 WeakPolarHBondContact CE-OH 3.48Å; M255-Y556 PolarHBondContact SD-OH 2.71Å; M255-Y556 VanDerWaalsContact SD-OH 3.42Å; I540-Y556 HydrophobicContact CG2-CE1 3.96Å; I540-Y556 WeakPolarHBondContact CG2-OH 3.38Å; L544-Y556 HydrophobicContact CD1-CD1 3.72Å; L544-Y556 HydrophobicContact CD1-CE1 3.89Å; L544-Y556 HydrophobicContact CD1-CG 4.46Å; L544-Y556 HydrophobicContact CD2-CD1 4.45Å; L544-Y556 HydrophobicContact CD2-CG 4.47Å; E552-Y556 WeakPolarHBondContact O-CE2 3.37Å; T553-Y556 WeakPolarHBondContact O-CB 3.34Å; T553-Y556 PolarHBondContact O-N 3.44Å; D554-Y556 VanDerWaalsContact C-N 3.31Å; D554-Y556 PolarHBondContact O-N 3.09Å
557R92.8Very high81.3Confident56 Ų5670.1 Ų70.121%0.21136%0.359CS..EExtended strand (participates in β ladder)trans-61.5158.1175-63.9-168.865.9-177.9-1.3110.9R201 C202 R204 E209 D555 F559R201-R557 VanDerWaalsContact CA-O 3.28Å; R201-R557 WeakPolarHBondContact CA-O 3.25Å; R201-R557 VanDerWaalsContact CD-O 3.24Å; R201-R557 WeakPolarHBondContact CD-O 3.34Å; R201-R557 PolarHBondContact NE-O 2.8Å; C202-R557 PolarHBondContact N-O 2.72Å; C202-R557 PolarHBondContact O-N 2.77Å; R204-R557 HydrophobicContact CG-CG 3.79Å; E209-R557 WeakPolarHBondContact OE1-CD 3.35Å; E209-R557 IonicContact OE1-CZ 2.77Å; E209-R557 IonicContact OE1-NE 3.45Å; E209-R557 IonicContact OE1-NH1 3.26Å; E209-R557 PolarHBondContact OE1-NH1 3.35Å; D555-R557 PolarHBondContact O-N 3.23Å; R557-F559 HydrophobicContact CB-CD2 4.43Å; R557-F559 HydrophobicContact CB-CE2 3.65Å; R557-F559 HydrophobicContact CB-CZ 4.15Å; R557-F559 VanDerWaalsContact CZ-CZ 3.46Å
558Y92.5Very high79.8Confident26 Ų2675.3 Ų75.310%0.10238%0.383CS..EExtended strand (participates in β ladder)trans-127.4125.1179.5177.9-78.2000109.3I199 I200 D560 I571 P572I199-Y558 HydrophobicContact CG2-CD2 4.03Å; I199-Y558 HydrophobicContact CG2-CE2 3.38Å; I200-Y558 WeakPolarHBondContact O-CA 3.4Å; Y558-D560 HydrophobicContact CE1-CB 3.77Å; Y558-I571 HydrophobicContact CD2-CB 4.43Å; Y558-I571 HydrophobicContact CD2-CG1 3.97Å; Y558-I571 HydrophobicContact CD2-CG2 4.23Å; Y558-I571 HydrophobicContact CE2-CG2 4.46Å; Y558-I571 HydrophobicContact CG-CG1 3.9Å; Y558-P572 VanDerWaalsContact CZ-CD 3.46Å; Y558-P572 WeakPolarHBondContact OH-CD 3.49Å
559F92.2Very high78.3Confident17 Ų1775.7 Ų75.78%0.07540%0.397CS..EExtended strand (participates in β ladder)trans-125.1135.9172.6-51-99.9000110.5I200 A212 V213 D216 R557I200-F559 HydrophobicContact CB-CB 4.11Å; I200-F559 HydrophobicContact CB-CD2 4.32Å; I200-F559 HydrophobicContact CG2-CD2 4.41Å; I200-F559 PolarHBondContact N-O 3.44Å; I200-F559 PolarHBondContact O-N 2.81Å; A212-F559 HydrophobicContact CB-CD2 4.18Å; A212-F559 HydrophobicContact CB-CE2 3.75Å; A212-F559 HydrophobicContact CB-CZ 4.32Å; V213-F559 HydrophobicContact CG2-CE1 3.91Å; V213-F559 HydrophobicContact CG2-CZ 3.75Å; D216-F559 HydrophobicContact CB-CB 4.08Å; D216-F559 HydrophobicContact CB-CD1 4.15Å; D216-F559 HydrophobicContact CB-CG 4.3Å; R557-F559 HydrophobicContact CB-CD2 4.43Å; R557-F559 HydrophobicContact CB-CE2 3.65Å; R557-F559 HydrophobicContact CB-CZ 4.15Å; R557-F559 VanDerWaalsContact CZ-CZ 3.46Å
560D90.8Very high77.2Confident15 Ų1574.7 Ų74.78%0.0839%0.39CS..  trans-12397.7173.3-173-21.2000110.9R220 R245 Y558 K562 M563R220-D560 VanDerWaalsContact CZ-O 3.27Å; R220-D560 PolarHBondContact NH1-O 2.66Å; R220-D560 PolarHBondContact NH2-O 2.89Å; R245-D560 IonicContact CZ-OD1 2.82Å; R245-D560 IonicContact CZ-OD2 3.52Å; R245-D560 IonicContact NH1-OD1 3.21Å; R245-D560 PolarHBondContact NH1-OD1 2.98Å; R245-D560 IonicContact NH1-OD2 3.83Å; R245-D560 PolarHBondContact NH1-OD2 3.33Å; R245-D560 IonicContact NH2-OD1 3.92Å; R245-D560 PolarHBondContact NH2-OD1 3.07Å; Y558-D560 HydrophobicContact CE1-CB 3.77Å; D560-K562 PolarHBondContact O-N 3.29Å; D560-K562 VanDerWaalsContact O-N 3.16Å; D560-K562 PolarHBondContact OD1-N 2.88Å; D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 3.95Å; D560-M563 HydrophobicContact CB-SD 4.05Å; D560-M563 PolarHBondContact O-N 3.3Å; D560-M563 PolarHBondContact OD1-N 2.79Å
561P90.3Very high76.3Confident0 Ų074.3 Ų74.30%039%0.39CS..THydrogen-bonded Turntrans-60.5-24-179.3-24.130.4000114.9V197 P198 I200 D216 L219 R220 L223V197-P561 HydrophobicContact CG1-CB 3.76Å; V197-P561 HydrophobicContact CG1-CG 4.11Å; P198-P561 WeakPolarHBondContact O-CD 3.31Å; I200-P561 HydrophobicContact CD1-CG 4.19Å; D216-P561 WeakPolarHBondContact OD1-CA 3.22Å; D216-P561 WeakPolarHBondContact OD1-CD 3.36Å; D216-P561 WeakPolarHBondContact OD1-CG 3.13Å; L219-P561 HydrophobicContact CB-CB 3.72Å; L219-P561 HydrophobicContact CB-CG 4.12Å; L219-P561 HydrophobicContact CD1-CB 4.26Å; L219-P561 HydrophobicContact CD1-CG 3.78Å; R220-P561 HydrophobicContact CG-CB 4.28Å; R220-P561 WeakPolarHBondContact CG-O 3.27Å; L223-P561 HydrophobicContact CD1-CB 4.41Å
562K86.7Confident75.4Confident114 Ų11472 Ų7250%0.49638%0.375SS..THydrogen-bonded Turntrans-78.5-20.4176.9-69.8-165.6178.1-170.90112.4V197 L223 D560 L564V197-K562 HydrophobicContact CB-CG 4.33Å; V197-K562 HydrophobicContact CG1-CG 4.07Å; L223-K562 HydrophobicContact CD1-CG 4.19Å; D560-K562 PolarHBondContact O-N 3.29Å; D560-K562 VanDerWaalsContact O-N 3.16Å; D560-K562 PolarHBondContact OD1-N 2.88Å; K562-L564 VanDerWaalsContact C-N 3.34Å; K562-L564 PolarHBondContact O-N 2.89Å
563M84.3Confident74.4Confident79 Ų7980.4 Ų80.439%0.38940%0.403SS..  trans-80.977.8176.9-72.2-173.271.300111.1R220 D560 R565 G566R220-M563 PolarHBondContact NH1-O 2.9Å; D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 3.95Å; D560-M563 HydrophobicContact CB-SD 4.05Å; D560-M563 PolarHBondContact O-N 3.3Å; D560-M563 PolarHBondContact OD1-N 2.79Å; M563-R565 PolarHBondContact O-N 2.87Å; M563-G566 PolarHBondContact O-N 3.09Å
564L68.9Low73Confident75 Ų7585.7 Ų85.739%0.39343%0.432SS..THydrogen-bonded Turntrans-61.8-14.4-175.8-62.9176.6000115.1R224 K562R224-L564 HydrophobicContact CG-CD1 4.49Å; R224-L564 HydrophobicContact CG-CD2 3.9Å; K562-L564 VanDerWaalsContact C-N 3.34Å; K562-L564 PolarHBondContact O-N 2.89Å
565R61.5Low72.2Confident254 Ų25489.8 Ų89.896%0.95845%0.446SS*.THydrogen-bonded Turntrans-131.126.4-178.9-63.3-171.9178.4178.8-0.2114M563M563-R565 PolarHBondContact O-N 2.87Å
566G54.3Low71.8Confident36 Ų3689.5 Ų89.537%0.37144%0.444SS..  trans-86.2144.9-179.800000113.9M563M563-G566 PolarHBondContact O-N 3.09Å
567S53.4Low71.6Confident91 Ų9191.5 Ų91.564%0.63646%0.458SS*.  trans-66.4139.6163.4170.60000109.5S569S567-S569 PolarHBondContact O-N 3.34Å
568E52.3Low71.5Confident162 Ų16289.7 Ų89.776%0.75745%0.452SS*.THydrogen-bonded Turntrans-60.46.6-170.9-66.8-173.5151.100116.6
569S53.8Low71.5Confident98 Ų9893.2 Ų93.269%0.68547%0.47SS*.THydrogen-bonded Turntrans-148.14-161.353.80000117.7S567S567-S569 PolarHBondContact O-N 3.34Å
570S57.5Low71.5Confident72 Ų7295.2 Ų95.250%0.50348%0.479SS..  trans-100.796.417765.20000112.4P572S570-P572 WeakPolarHBondContact O-CD 3.44Å
571I64.3Low71.8Confident78 Ų7894.5 Ų94.540%0.448%0.475SS..  trans-53.7125162.5-59.9174000107.2Y558 R573Y558-I571 HydrophobicContact CD2-CB 4.43Å; Y558-I571 HydrophobicContact CD2-CG1 3.97Å; Y558-I571 HydrophobicContact CD2-CG2 4.23Å; Y558-I571 HydrophobicContact CE2-CG2 4.46Å; Y558-I571 HydrophobicContact CG-CG1 3.9Å; I571-R573 PolarHBondContact O-N 2.82Å
572P63.7Low72.2Confident59 Ų5994.7 Ų94.738%0.38348%0.476SS..  trans-54132.1177.5-24.832.9000110.4Y558 S570 N574Y558-P572 VanDerWaalsContact CZ-CD 3.46Å; Y558-P572 WeakPolarHBondContact OH-CD 3.49Å; S570-P572 WeakPolarHBondContact O-CD 3.44Å; P572-N574 PolarHBondContact O-N 2.9Å
573R57.8Low72.7Confident251 Ų25189.3 Ų89.395%0.94745%0.453SS*.SBendtrans-62.5-8.7178.9-71.3-174.2179.6177.50.4113.8I571 K575I571-R573 PolarHBondContact O-N 2.82Å; R573-K575 PolarHBondContact O-N 3.29Å
574N56.4Low73.4Confident115 Ų11585.5 Ų85.562%0.61543%0.434SS*.  trans-83.8109.4-178.7-158.53000110.3P572 N576P572-N574 PolarHBondContact O-N 2.9Å; N574-N576 VanDerWaalsContact C-N 3.32Å; N574-N576 PolarHBondContact O-N 3.38Å
575K65.2Low74.8Confident165 Ų16582 Ų8272%0.71742%0.416SS*.  trans-90.938.6-167.6-58.8-176.1177.7-174.80113.5R573 P577R573-K575 PolarHBondContact O-N 3.29Å; K575-P577 VanDerWaalsContact O-CD 3.31Å; K575-P577 WeakPolarHBondContact O-CD 3.41Å
576N78.3Confident76.5Confident107 Ų10770 Ų7057%0.57237%0.371SS*.PPolyproline II helixtrans-71.8126.4177.5-75.1-11.6000109.3N574N574-N576 VanDerWaalsContact C-N 3.32Å; N574-N576 PolarHBondContact O-N 3.38Å
577P87.4Confident78.4Confident51 Ų5168.3 Ų68.333%0.33135%0.354SS..PPolyproline II helixtrans-62.4146.4176.3-24.936000112.3M545 K575M545-P577 CarbonylContact O-C 3.57Å; M545-P577 WeakPolarHBondContact O-CA 3.38Å; M545-P577 WeakPolarHBondContact O-CB 3.45Å; K575-P577 VanDerWaalsContact O-CD 3.31Å; K575-P577 WeakPolarHBondContact O-CD 3.41Å
578F90.8Very high80.3Confident19 Ų1964 Ų648%0.08332%0.324CS..PPolyproline II helixtrans-80.1125.3178.7-69.7-77.7000112.2I199 L247 M545 M547 R607I199-F578 HydrophobicContact CB-CE1 4.44Å; I199-F578 HydrophobicContact CB-CZ 4.38Å; I199-F578 HydrophobicContact CD1-CE1 3.8Å; I199-F578 HydrophobicContact CD1-CZ 4.03Å; I199-F578 HydrophobicContact CG2-CZ 4.2Å; L247-F578 HydrophobicContact CB-CB 4.11Å; L247-F578 HydrophobicContact CB-CD1 3.82Å; L247-F578 HydrophobicContact CB-CD2 3.91Å; L247-F578 HydrophobicContact CB-CE1 4.12Å; L247-F578 HydrophobicContact CB-CE2 4.14Å; L247-F578 HydrophobicContact CB-CG 3.7Å; L247-F578 HydrophobicContact CB-CZ 4.27Å; L247-F578 HydrophobicContact CD1-CD2 4.3Å; L247-F578 HydrophobicContact CD1-CE2 3.81Å; L247-F578 HydrophobicContact CD1-CZ 4.05Å; L247-F578 HydrophobicContact CD2-CD2 3.65Å; L247-F578 HydrophobicContact CD2-CE2 3.96Å; L247-F578 HydrophobicContact CD2-CG 4.19Å; L247-F578 HydrophobicContact CG-CD2 4.15Å; L247-F578 HydrophobicContact CG-CE2 4.18Å; L247-F578 HydrophobicContact CG-CG 4.44Å; M545-F578 WeakPolarHBondContact CE-O 3.42Å; M545-F578 HydrophobicContact CG-CB 4.48Å; M545-F578 PolarHBondContact O-N 2.94Å; M547-F578 HydrophobicContact CE-CD2 3.71Å; M547-F578 HydrophobicContact CE-CE2 3.02Å; M547-F578 HydrophobicContact CE-CZ 3.54Å; M547-F578 HydrophobicContact SD-CD2 4.46Å; M547-F578 HydrophobicContact SD-CE2 3.96Å; F578-R607 PolarHBondContact O-NH1 3.21Å
579Q91.4Very high82.4Confident100 Ų10056.3 Ų56.347%0.46729%0.288SS..SBendtrans-76.9-30.6175.8-68.6176.70.400112.8R607 K608Q579-R607 CarbonylContact O-C 3.5Å; Q579-R607 VanDerWaalsContact O-CA 3.29Å; Q579-R607 WeakPolarHBondContact O-CA 3.39Å; Q579-K608 PolarHBondContact O-N 3.46Å
580E93.1Very high84.4Confident58 Ų5852 Ų5227%0.27126%0.257SS..EExtended strand (participates in β ladder)trans-121.5132-178.7-55.7-167.3152.700110.8P246 L247 K608P246-E580 WeakPolarHBondContact CA-O 3.39Å; P246-E580 HydrophobicContact CB-CB 4.14Å; L247-E580 PolarHBondContact N-O 3.22Å; E580-K608 CarbonylContact C-O 3.48Å; E580-K608 VanDerWaalsContact CA-O 3.31Å; E580-K608 WeakPolarHBondContact CA-O 3.41Å; E580-K608 HydrophobicContact CG-CB 4.2Å
581A96.3Very high86.3Confident1 Ų148.8 Ų48.81%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-126.2145.2171.100000111.5L247 V541 M545 K608 V609 V610L247-A581 HydrophobicContact CB-CB 4.47Å; L247-A581 CarbonylContact O-C 3.43Å; L247-A581 VanDerWaalsContact O-CA 3.24Å; L247-A581 WeakPolarHBondContact O-CA 3.5Å; V541-A581 HydrophobicContact CG1-CB 4.38Å; M545-A581 HydrophobicContact CE-CB 3.81Å; M545-A581 HydrophobicContact CG-CB 3.81Å; M545-A581 HydrophobicContact SD-CB 3.43Å; M545-A581 WeakPolarHBondContact SD-CB 3.32Å; A581-K608 PolarHBondContact N-O 2.97Å; A581-V609 CarbonylContact O-C 3.4Å; A581-V609 VanDerWaalsContact O-CA 3.3Å; A581-V609 WeakPolarHBondContact O-CA 3.48Å; A581-V610 PolarHBondContact O-N 2.99Å
582I98.1Very high87.8Confident4 Ų446.4 Ų46.42%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-117.6121170-62.5149.5000105.2F151 F190 F191 L194 P246 L247 L248 V249 V610F151-I582 HydrophobicContact CE1-CG2 4.13Å; F151-I582 HydrophobicContact CZ-CG2 4.46Å; F190-I582 HydrophobicContact CE1-CD1 4.05Å; F190-I582 HydrophobicContact CE1-CG1 4.4Å; F190-I582 HydrophobicContact CE1-CG2 3.95Å; F190-I582 HydrophobicContact CZ-CG2 4.12Å; F191-I582 HydrophobicContact CD1-CD1 4.48Å; F191-I582 HydrophobicContact CE1-CD1 3.43Å; F191-I582 VanDerWaalsContact CE1-CD1 3.43Å; F191-I582 HydrophobicContact CZ-CD1 3.87Å; F191-I582 HydrophobicContact CZ-CG2 4.48Å; L194-I582 HydrophobicContact CD2-CD1 3.64Å; P246-I582 HydrophobicContact CB-CD1 3.79Å; P246-I582 HydrophobicContact CG-CD1 3.95Å; L247-I582 PolarHBondContact O-N 3.09Å; L248-I582 CarbonylContact C-O 3.57Å; L248-I582 VanDerWaalsContact CA-O 3.31Å; L248-I582 WeakPolarHBondContact CA-O 3.22Å; L248-I582 HydrophobicContact CD1-CB 4.18Å; L248-I582 HydrophobicContact CD1-CG2 3.86Å; V249-I582 PolarHBondContact N-O 3.42Å; I582-V610 CarbonylContact C-O 3.53Å; I582-V610 VanDerWaalsContact CA-O 3.31Å; I582-V610 WeakPolarHBondContact CA-O 3.49Å; I582-V610 HydrophobicContact CG1-CB 4.26Å
583V98.3Very high89.4Confident0 Ų043.6 Ų43.60%020%0.203CC..EExtended strand (participates in β ladder)trans-107.8123.9-177.2-171.80000106.9V249 V537 V541 L597 V609 V610 Y611 G612V249-V583 WeakPolarHBondContact O-CA 3.45Å; V537-V583 HydrophobicContact CG1-CG1 3.56Å; V541-V583 HydrophobicContact CB-CG2 4.49Å; V541-V583 HydrophobicContact CG1-CG2 4.26Å; V541-V583 HydrophobicContact CG2-CB 4.36Å; V541-V583 HydrophobicContact CG2-CG1 4.01Å; V541-V583 HydrophobicContact CG2-CG2 3.4Å; V583-L597 HydrophobicContact CB-CD1 4.22Å; V583-L597 HydrophobicContact CG1-CD1 4.3Å; V583-L597 HydrophobicContact CG2-CD1 4.17Å; V583-V609 HydrophobicContact CG2-CG1 3.75Å; V583-V610 PolarHBondContact N-O 3.24Å; V583-Y611 HydrophobicContact CB-CD2 4.41Å; V583-Y611 HydrophobicContact CG1-CD2 4.46Å; V583-Y611 CarbonylContact O-C 3.36Å; V583-G612 PolarHBondContact O-N 3.3Å
584F98.6Very high91.3Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-127.6119.6178.4-174.5-95.1000111.4F151 L153 I183 L187 L248 V249 L250 A251 V586 G612 C613F151-F584 AromaticContact CE2-CD2 3.85Å; F151-F584 HydrophobicContact CE2-CD2 3.85Å; F151-F584 AromaticContact CE2-CE2 3.98Å; F151-F584 HydrophobicContact CE2-CE2 3.98Å; F151-F584 AromaticContact CZ-CD2 3.69Å; F151-F584 HydrophobicContact CZ-CD2 3.69Å; F151-F584 HydrophobicContact CZ-CE2 4.3Å; L153-F584 HydrophobicContact CD1-CE2 4.11Å; L153-F584 HydrophobicContact CD1-CZ 3.53Å; L153-F584 HydrophobicContact CD2-CE2 3.64Å; L153-F584 HydrophobicContact CD2-CZ 3.95Å; L153-F584 HydrophobicContact CG-CE2 3.78Å; L153-F584 HydrophobicContact CG-CZ 3.7Å; I183-F584 HydrophobicContact CG2-CE1 3.78Å; I183-F584 HydrophobicContact CG2-CZ 4.11Å; L187-F584 HydrophobicContact CD1-CD1 3.96Å; L187-F584 HydrophobicContact CD1-CE1 4.03Å; L187-F584 HydrophobicContact CD1-CG 4.36Å; L187-F584 HydrophobicContact CD1-CZ 4.49Å; L187-F584 HydrophobicContact CD2-CB 4.46Å; L187-F584 HydrophobicContact CD2-CD1 4.25Å; L187-F584 HydrophobicContact CD2-CD2 3.68Å; L187-F584 HydrophobicContact CD2-CE1 4.45Å; L187-F584 HydrophobicContact CD2-CE2 3.9Å; L187-F584 HydrophobicContact CD2-CG 3.86Å; L187-F584 HydrophobicContact CD2-CZ 4.29Å; L187-F584 HydrophobicContact CG-CE1 4.48Å; L187-F584 HydrophobicContact CG-CZ 4.46Å; L248-F584 HydrophobicContact CD1-CB 4.2Å; V249-F584 PolarHBondContact O-N 3.47Å; L250-F584 WeakPolarHBondContact CA-O 3.42Å; L250-F584 HydrophobicContact CD2-CB 3.88Å; L250-F584 HydrophobicContact CD2-CD1 3.99Å; L250-F584 HydrophobicContact CD2-CG 4.38Å; A251-F584 PolarHBondContact N-O 2.87Å; F584-V586 HydrophobicContact CD1-CG2 4.02Å; F584-V586 HydrophobicContact CE1-CG2 3.94Å; F584-G612 CarbonylContact C-O 3.53Å; F584-G612 VanDerWaalsContact CA-O 3.25Å; F584-G612 WeakPolarHBondContact CA-O 3.5Å; F584-C613 WeakPolarHBondContact CE2-O 3.28Å
585V98.3Very high93.2Very high1 Ų126.9 Ų26.91%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-96.5115.5179-1670000110.8A251 G588 Y611 G612 C613 S614A251-V585 HydrophobicContact CB-CG1 4.49Å; A251-V585 HydrophobicContact CB-CG2 4.31Å; A251-V585 WeakPolarHBondContact O-CA 3.29Å; V585-G588 VanDerWaalsContact CG1-O 3.29Å; V585-G588 WeakPolarHBondContact CG1-O 3.07Å; V585-Y611 HydrophobicContact CG2-CE2 3.78Å; V585-G612 PolarHBondContact N-O 3.43Å; V585-C613 HydrophobicContact CB-CB 4.4Å; V585-C613 WeakPolarHBondContact O-CA 3.35Å; V585-S614 PolarHBondContact O-N 3.2Å
586V97.4Very high94.6Very high1 Ų120.2 Ų20.21%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-80.4130173.1-176.30000109I166 I183 A207 A208 V211 A251 R253 F584I166-V586 HydrophobicContact CD1-CG1 3.95Å; I183-V586 HydrophobicContact CD1-CG1 4.25Å; A207-V586 HydrophobicContact CB-CG1 3.74Å; A208-V586 HydrophobicContact CB-CG2 4.17Å; V211-V586 HydrophobicContact CG2-CG2 4.09Å; A251-V586 PolarHBondContact O-N 3.34Å; R253-V586 PolarHBondContact N-O 2.99Å; F584-V586 HydrophobicContact CD1-CG2 4.02Å; F584-V586 HydrophobicContact CE1-CG2 3.94Å
587G93.5Very high95.5Very high2 Ų215.2 Ų15.22%0.0218%0.078CC..THydrogen-bonded Turntrans87.821-172.200000113.2Y163 S614 F617Y163-G587 WeakPolarHBondContact CB-O 3.17Å; G587-S614 PolarHBondContact N-OG 3.25Å; G587-F617 WeakPolarHBondContact O-CE1 3.49Å
588G94.4Very high95.9Very high0 Ų013.5 Ų13.50%07%0.066CC..  trans90.3164.3167.900000115.8R253 V585 S614 E615R253-G588 VanDerWaalsContact CZ-O 3.31Å; R253-G588 PolarHBondContact NE-O 3.25Å; R253-G588 PolarHBondContact NH2-O 3.29Å; V585-G588 VanDerWaalsContact CG1-O 3.29Å; V585-G588 WeakPolarHBondContact CG1-O 3.07Å; G588-S614 PolarHBondContact N-OG 3.27Å; G588-E615 CarbonylContact C-O 3.54Å; G588-E615 WeakPolarHBondContact CA-O 3.45Å
589G96Very high96Very high0 Ų015.4 Ų15.40%08%0.077CC..BIsolated β-bridgetrans-143.7173.1-167.900000112.4Y611 E615 F617G589-Y611 WeakPolarHBondContact CA-OH 3.4Å; G589-E615 PolarHBondContact N-O 3.26Å; G589-F617 PolarHBondContact O-N 2.89Å
590N96.1Very high96.1Very high7 Ų710.9 Ų10.94%0.0376%0.056CC..  trans-147.5164.4-178.164.263.8000111.6I592 E593 Y594 Y611 F617N590-I592 PolarHBondContact O-N 2.68Å; N590-I592 WeakPolarHBondContact OD1-CA 3.47Å; N590-I592 WeakPolarHBondContact OD1-CB 3.38Å; N590-I592 PolarHBondContact OD1-N 3.48Å; N590-E593 PolarHBondContact O-N 3.23Å; N590-E593 PolarHBondContact OD1-N 3.41Å; N590-Y594 PolarHBondContact O-N 2.96Å; N590-Y611 PolarHBondContact N-OH 3.01Å; N590-Y611 VanDerWaalsContact N-OH 3.15Å; N590-F617 HydrophobicContact CB-CE2 4.5Å
591Y97.5Very high96.1Very high5 Ų59 Ų92%0.025%0.05CC..Hα-helixtrans-69.6-18.2179.8-76.9-68.6000114.2M150 Q268 H272 F277 Y594 Q595 L616M150-Y591 HydrophobicContact CE-CD1 4.25Å; M150-Y591 HydrophobicContact CE-CE1 3.93Å; M150-Y591 HydrophobicContact SD-CD1 4.04Å; M150-Y591 HydrophobicContact SD-CE1 3.63Å; Q268-Y591 VanDerWaalsContact CD-CD1 3.42Å; Q268-Y591 VanDerWaalsContact CD-CE1 3.41Å; Q268-Y591 HydrophobicContact CG-CD1 3.68Å; Q268-Y591 HydrophobicContact CG-CD2 4.28Å; Q268-Y591 HydrophobicContact CG-CE1 3.85Å; Q268-Y591 HydrophobicContact CG-CE2 4.4Å; Q268-Y591 HydrophobicContact CG-CG 3.91Å; H272-Y591 HydrophobicContact CB-CD2 3.63Å; H272-Y591 HydrophobicContact CB-CE2 3.95Å; H272-Y591 AromaticContact CD2-CE2 3.8Å; H272-Y591 AromaticContact CG-CD2 3.54Å; H272-Y591 AromaticContact CG-CE2 3.69Å; H272-Y591 AromaticContact ND1-CD2 3.59Å; F277-Y591 HydrophobicContact CD1-CE2 4.08Å; F277-Y591 AromaticContact CE1-CE2 3.68Å; F277-Y591 HydrophobicContact CE1-CE2 3.68Å; F277-Y591 AromaticContact CE1-CZ 3.85Å; Y591-Y594 AromaticContact CD1-CD1 3.98Å; Y591-Y594 HydrophobicContact CD1-CD1 3.98Å; Y591-Q595 VanDerWaalsContact O-CB 3.25Å; Y591-Q595 WeakPolarHBondContact O-CB 3.23Å; Y591-Q595 PolarHBondContact O-N 3.21Å; Y591-L616 HydrophobicContact CD2-CD1 4.48Å; Y591-L616 HydrophobicContact CD2-CD2 4.39Å; Y591-L616 HydrophobicContact CE1-CD2 4.39Å; Y591-L616 HydrophobicContact CE2-CD2 3.65Å; Y591-L616 HydrophobicContact CE2-CG 4.4Å
592I96Very high95.9Very high28 Ų2816.1 Ų16.114%0.1448%0.081CC..Hα-helixtrans-69.3-46.3178.2-49.1174.9000109.3T259 H262 T264 A269 L535 N590 Q595 N596T259-I592 HydrophobicContact CG2-CB 3.97Å; T259-I592 HydrophobicContact CG2-CG2 3.87Å; H262-I592 HydrophobicContact CB-CD1 4.2Å; T264-I592 HydrophobicContact CG2-CD1 4.49Å; T264-I592 HydrophobicContact CG2-CG1 4.48Å; A269-I592 HydrophobicContact CB-CG1 4.15Å; L535-I592 HydrophobicContact CD1-CG2 4.09Å; N590-I592 PolarHBondContact O-N 2.68Å; N590-I592 WeakPolarHBondContact OD1-CA 3.47Å; N590-I592 WeakPolarHBondContact OD1-CB 3.38Å; N590-I592 PolarHBondContact OD1-N 3.48Å; I592-Q595 PolarHBondContact O-N 2.97Å; I592-N596 WeakPolarHBondContact O-CB 3.41Å; I592-N596 PolarHBondContact O-N 3.01Å
593E96.6Very high95.6Very high1 Ų119.6 Ų19.61%0.00511%0.105CC..Hα-helixtrans-62.7-45.7174.5-67.8178.4160.700111.9R253 T259 L535 N590 N596 L597 Y611R253-E593 IonicContact CZ-OE1 2.9Å; R253-E593 VanDerWaalsContact CZ-OE1 3.23Å; R253-E593 IonicContact CZ-OE2 3.01Å; R253-E593 IonicContact NH1-OE1 3.22Å; R253-E593 PolarHBondContact NH1-OE1 3.25Å; R253-E593 IonicContact NH1-OE2 3.4Å; R253-E593 IonicContact NH2-OE1 3.78Å; R253-E593 PolarHBondContact NH2-OE1 3.02Å; R253-E593 IonicContact NH2-OE2 2.72Å; R253-E593 PolarHBondContact NH2-OE2 2.96Å; T259-E593 HydrophobicContact CG2-CG 3.97Å; L535-E593 HydrophobicContact CD1-CG 4.45Å; N590-E593 PolarHBondContact O-N 3.23Å; N590-E593 PolarHBondContact OD1-N 3.41Å; E593-N596 PolarHBondContact O-N 3.26Å; E593-L597 WeakPolarHBondContact O-CG 3.24Å; E593-L597 PolarHBondContact O-N 3.41Å; E593-Y611 HydrophobicContact CB-CE2 4.07Å; E593-Y611 PolarHBondContact OE2-OH 3.39Å
594Y97.6Very high95.2Very high4 Ų423 Ų232%0.01612%0.12CC..Hα-helixtrans-55.4-54.1175.2168-113.6000111.2E147 D149 M150 N590 Y591 N596 L597 V598 Y611E147-Y594 HydrophobicContact CB-CE2 4.46Å; E147-Y594 VanDerWaalsContact CB-OH 3.31Å; E147-Y594 WeakPolarHBondContact CB-OH 3.47Å; E147-Y594 HydrophobicContact CG-CE1 3.94Å; D149-Y594 VanDerWaalsContact OD1-CE2 3.29Å; D149-Y594 WeakPolarHBondContact OD1-CE2 3.41Å; D149-Y594 PolarHBondContact OD1-OH 2.66Å; M150-Y594 HydrophobicContact CB-CD2 4.03Å; M150-Y594 HydrophobicContact CB-CE2 3.82Å; M150-Y594 HydrophobicContact CG-CD2 4.26Å; M150-Y594 HydrophobicContact SD-CD1 4.19Å; M150-Y594 HydrophobicContact SD-CD2 4.16Å; M150-Y594 HydrophobicContact SD-CG 3.95Å; N590-Y594 PolarHBondContact O-N 2.96Å; Y591-Y594 AromaticContact CD1-CD1 3.98Å; Y591-Y594 HydrophobicContact CD1-CD1 3.98Å; Y594-N596 VanDerWaalsContact C-N 3.29Å; Y594-N596 PolarHBondContact O-N 3.37Å; Y594-L597 PolarHBondContact O-N 2.95Å; Y594-L597 VanDerWaalsContact O-N 3.1Å; Y594-V598 HydrophobicContact CD1-CG2 4.44Å; Y594-V598 HydrophobicContact CD2-CG2 3.97Å; Y594-V598 HydrophobicContact CE1-CG2 4Å; Y594-V598 HydrophobicContact CE2-CG2 3.45Å; Y594-V598 VanDerWaalsContact CE2-CG2 3.45Å; Y594-V598 HydrophobicContact CG-CG2 4.44Å; Y594-V598 VanDerWaalsContact CZ-CG2 3.47Å; Y594-V598 WeakPolarHBondContact O-CG2 3.28Å; Y594-V598 PolarHBondContact O-N 3.09Å; Y594-Y611 HydrophobicContact CD2-CD1 4.25Å; Y594-Y611 HydrophobicContact CD2-CG 4.46Å; Y594-Y611 HydrophobicContact CG-CD1 4.43Å
595Q96.3Very high94.6Very high10 Ų1029.1 Ų29.15%0.04716%0.16CC..Hα-helixtrans-61.6-38.5-177.9-175.754.150.500111.8T266 G321 Y591 I592 L597 V598 D599T266-Q595 HydrophobicContact CG2-CG 4.18Å; G321-Q595 VanDerWaalsContact CA-CD 3.47Å; Y591-Q595 VanDerWaalsContact O-CB 3.25Å; Y591-Q595 WeakPolarHBondContact O-CB 3.23Å; Y591-Q595 PolarHBondContact O-N 3.21Å; I592-Q595 PolarHBondContact O-N 2.97Å; Q595-L597 VanDerWaalsContact C-N 3.34Å; Q595-L597 PolarHBondContact O-N 3.29Å; Q595-V598 WeakPolarHBondContact O-CB 3.33Å; Q595-V598 PolarHBondContact O-N 3.41Å; Q595-D599 VanDerWaalsContact NE2-CG 3.26Å; Q595-D599 PolarHBondContact NE2-OD1 2.94Å; Q595-D599 PolarHBondContact NE2-OD2 3.09Å; Q595-D599 VanDerWaalsContact NE2-OD2 3.08Å; Q595-D599 PolarHBondContact O-N 3.34Å
596N95.3Very high94Very high25 Ų2532.1 Ų32.113%0.13419%0.192CC..Hα-helixtrans-64.7-36.8176.4-163.4-112.6000112.7H533 L535 T538 I592 E593 Y594 Y600H533-N596 PolarHBondContact O-ND2 2.99Å; L535-N596 WeakPolarHBondContact CB-OD1 3.41Å; L535-N596 HydrophobicContact CD1-CB 3.64Å; L535-N596 HydrophobicContact CG-CB 4.01Å; L535-N596 WeakPolarHBondContact CG-OD1 3.41Å; L535-N596 PolarHBondContact N-OD1 2.97Å; T538-N596 VanDerWaalsContact CB-OD1 3.25Å; T538-N596 WeakPolarHBondContact CB-OD1 3.45Å; T538-N596 PolarHBondContact OG1-OD1 3.3Å; I592-N596 WeakPolarHBondContact O-CB 3.41Å; I592-N596 PolarHBondContact O-N 3.01Å; E593-N596 PolarHBondContact O-N 3.26Å; Y594-N596 VanDerWaalsContact C-N 3.29Å; Y594-N596 PolarHBondContact O-N 3.37Å; N596-Y600 WeakPolarHBondContact O-CB 3.23Å; N596-Y600 PolarHBondContact O-N 3.38Å
597L96.5Very high93.6Very high3 Ų334.2 Ų34.22%0.01620%0.199CC..Hα-helixtrans-70.7-36173.6-71.9170.5000112.4V537 T538 V541 V583 E593 Y594 Q595 Y600 A601 V609 Y611V537-L597 HydrophobicContact CG1-CD1 4.29Å; T538-L597 HydrophobicContact CG2-CD2 4.23Å; V541-L597 HydrophobicContact CB-CD2 4.29Å; V541-L597 HydrophobicContact CG1-CD2 4.41Å; V541-L597 HydrophobicContact CG2-CD2 4.15Å; V583-L597 HydrophobicContact CB-CD1 4.22Å; V583-L597 HydrophobicContact CG1-CD1 4.3Å; V583-L597 HydrophobicContact CG2-CD1 4.17Å; E593-L597 WeakPolarHBondContact O-CG 3.24Å; E593-L597 PolarHBondContact O-N 3.41Å; Y594-L597 PolarHBondContact O-N 2.95Å; Y594-L597 VanDerWaalsContact O-N 3.1Å; Q595-L597 VanDerWaalsContact C-N 3.34Å; Q595-L597 PolarHBondContact O-N 3.29Å; L597-Y600 WeakPolarHBondContact O-CB 3.47Å; L597-Y600 PolarHBondContact O-N 3.39Å; L597-A601 WeakPolarHBondContact O-CB 3.22Å; L597-A601 PolarHBondContact O-N 3.03Å; L597-V609 HydrophobicContact CB-CG1 4.25Å; L597-V609 HydrophobicContact CD1-CG1 4.38Å; L597-V609 HydrophobicContact CD2-CG1 4.25Å; L597-Y611 HydrophobicContact CD1-CD2 3.5Å; L597-Y611 VanDerWaalsContact CD1-CD2 3.5Å; L597-Y611 HydrophobicContact CD1-CE2 4.27Å; L597-Y611 HydrophobicContact CD1-CG 4.14Å
598V94.9Very high93.6Very high14 Ų1436.8 Ų36.89%0.08521%0.21CC..Hα-helixtrans-60.9-47.7173.1169.20000110.3Y594 Q595 A601 K602Y594-V598 HydrophobicContact CD1-CG2 4.44Å; Y594-V598 HydrophobicContact CD2-CG2 3.97Å; Y594-V598 HydrophobicContact CE1-CG2 4Å; Y594-V598 HydrophobicContact CE2-CG2 3.45Å; Y594-V598 VanDerWaalsContact CE2-CG2 3.45Å; Y594-V598 HydrophobicContact CG-CG2 4.44Å; Y594-V598 VanDerWaalsContact CZ-CG2 3.47Å; Y594-V598 WeakPolarHBondContact O-CG2 3.28Å; Y594-V598 PolarHBondContact O-N 3.09Å; Q595-V598 WeakPolarHBondContact O-CB 3.33Å; Q595-V598 PolarHBondContact O-N 3.41Å; V598-A601 PolarHBondContact O-N 3.33Å; V598-K602 HydrophobicContact CG1-CD 4.14Å; V598-K602 WeakPolarHBondContact O-CG 3.42Å; V598-K602 PolarHBondContact O-N 2.93Å
599D93.5Very high93.7Very high59 Ų5937.1 Ų37.132%0.31621%0.212SC..Hα-helixtrans-67.2-38.6179.6-66.6-28.1000111.7Q595 K602 S603Q595-D599 VanDerWaalsContact NE2-CG 3.26Å; Q595-D599 PolarHBondContact NE2-OD1 2.94Å; Q595-D599 PolarHBondContact NE2-OD2 3.09Å; Q595-D599 VanDerWaalsContact NE2-OD2 3.08Å; Q595-D599 PolarHBondContact O-N 3.34Å; D599-K602 PolarHBondContact O-N 3.37Å; D599-S603 WeakPolarHBondContact O-CB 3.46Å; D599-S603 PolarHBondContact O-N 3.22Å
600Y94.1Very high93.8Very high5 Ų537.6 Ų37.62%0.0222%0.215CC..Hα-helixtrans-56.5-51.4169.8169-99.2000111.8T538 V541 D542 M545 N596 L597 K602 S603 K604 V609T538-Y600 HydrophobicContact CG2-CD2 3.94Å; T538-Y600 HydrophobicContact CG2-CG 3.76Å; V541-Y600 HydrophobicContact CG1-CE1 4.41Å; D542-Y600 WeakPolarHBondContact CA-OH 3.24Å; D542-Y600 HydrophobicContact CB-CE2 3.71Å; D542-Y600 WeakPolarHBondContact OD1-CE2 3.25Å; D542-Y600 PolarHBondContact OD1-OH 3.11Å; M545-Y600 HydrophobicContact SD-CE1 4.29Å; N596-Y600 WeakPolarHBondContact O-CB 3.23Å; N596-Y600 PolarHBondContact O-N 3.38Å; L597-Y600 WeakPolarHBondContact O-CB 3.47Å; L597-Y600 PolarHBondContact O-N 3.39Å; Y600-K602 VanDerWaalsContact C-N 3.35Å; Y600-K602 PolarHBondContact O-N 2.73Å; Y600-S603 PolarHBondContact O-N 3.32Å; Y600-S603 VanDerWaalsContact O-N 3.11Å; Y600-S603 PolarHBondContact O-OG 3.26Å; Y600-K604 HydrophobicContact CD2-CG 4.34Å; Y600-K604 HydrophobicContact CE2-CG 3.89Å; Y600-K604 WeakPolarHBondContact O-CG 3.49Å; Y600-K604 PolarHBondContact O-N 2.94Å; Y600-V609 HydrophobicContact CD1-CG2 4.21Å; Y600-V609 HydrophobicContact CE1-CG2 4.26Å
601A93.1Very high93.9Very high19 Ų1937.4 Ų37.416%0.15721%0.213CC..Hα-helixtrans-62.4-41.4-179.500000111.7L597 V598 S603 K604 V609L597-A601 WeakPolarHBondContact O-CB 3.22Å; L597-A601 PolarHBondContact O-N 3.03Å; V598-A601 PolarHBondContact O-N 3.33Å; A601-S603 VanDerWaalsContact C-N 3.28Å; A601-S603 PolarHBondContact O-N 3.31Å; A601-K604 CarbonylContact O-C 3.53Å; A601-K604 PolarHBondContact O-N 3.17Å; A601-K604 VanDerWaalsContact O-N 3.11Å; A601-K604 VanDerWaalsContact O-O 3.12Å; A601-V609 HydrophobicContact CB-CB 4.41Å; A601-V609 HydrophobicContact CB-CG2 4.21Å
602K91.9Very high93.9Very high151 Ų15137.1 Ų37.166%0.65721%0.213SC*.Hα-helixtrans-60.6-36.2173.9-73.9173.8-177.6170.70112.4V598 D599 Y600 K604V598-K602 HydrophobicContact CG1-CD 4.14Å; V598-K602 WeakPolarHBondContact O-CG 3.42Å; V598-K602 PolarHBondContact O-N 2.93Å; D599-K602 PolarHBondContact O-N 3.37Å; Y600-K602 VanDerWaalsContact C-N 3.35Å; Y600-K602 PolarHBondContact O-N 2.73Å; K602-K604 VanDerWaalsContact C-N 3.25Å; K602-K604 PolarHBondContact O-N 3.13Å
603S91.3Very high94Very high76 Ų7635.8 Ų35.853%0.53121%0.206SC..Hα-helixtrans-73.9-12.5177.7810000114.1D599 Y600 A601D599-S603 WeakPolarHBondContact O-CB 3.46Å; D599-S603 PolarHBondContact O-N 3.22Å; Y600-S603 PolarHBondContact O-N 3.32Å; Y600-S603 VanDerWaalsContact O-N 3.11Å; Y600-S603 PolarHBondContact O-OG 3.26Å; A601-S603 VanDerWaalsContact C-N 3.28Å; A601-S603 PolarHBondContact O-N 3.31Å
604K90.2Very high94Very high72 Ų7235.8 Ų35.831%0.31321%0.205SC..SBendtrans-122.290-175.1-63.7-65.8-172.7171.20111.2Y600 A601 K602 G606 R607Y600-K604 HydrophobicContact CD2-CG 4.34Å; Y600-K604 HydrophobicContact CE2-CG 3.89Å; Y600-K604 WeakPolarHBondContact O-CG 3.49Å; Y600-K604 PolarHBondContact O-N 2.94Å; A601-K604 CarbonylContact O-C 3.53Å; A601-K604 PolarHBondContact O-N 3.17Å; A601-K604 VanDerWaalsContact O-N 3.11Å; A601-K604 VanDerWaalsContact O-O 3.12Å; K602-K604 VanDerWaalsContact C-N 3.25Å; K602-K604 PolarHBondContact O-N 3.13Å; K604-G606 PolarHBondContact O-N 3.44Å; K604-R607 HydrophobicContact CB-CB 4.03Å; K604-R607 HydrophobicContact CB-CG 3.61Å; K604-R607 WeakPolarHBondContact O-CB 3.26Å; K604-R607 PolarHBondContact O-N 3.48Å; K604-R607 VanDerWaalsContact O-N 3.08Å
605P86.3Confident93.8Very high128 Ų12835.9 Ų35.983%0.83121%0.206SC*.THydrogen-bonded Turntrans-54132.1-179.8-24.532.9000112.3R607P605-R607 VanDerWaalsContact C-N 3.31Å; P605-R607 PolarHBondContact O-N 3.03Å
606G85.6Confident93.8Very high65 Ų6536.2 Ų36.267%0.6721%0.208SC*.THydrogen-bonded Turntrans81.33.5179.500000115.1K604K604-G606 PolarHBondContact O-N 3.44Å
607R89.4Confident93.8Very high45 Ų4535 Ų3517%0.1720%0.202CC..  trans-94.1141.2167.4-58.3-59.1-164.6-162.5-9.2110.5M545 E546 F578 Q579 K604 P605M545-R607 HydrophobicContact CE-CB 4.28Å; M545-R607 HydrophobicContact CE-CG 4.39Å; E546-R607 IonicContact OE1-CZ 3.18Å; E546-R607 IonicContact OE1-NE 2.69Å; E546-R607 IonicContact OE1-NH2 2.79Å; E546-R607 PolarHBondContact OE1-NH2 2.96Å; E546-R607 IonicContact OE2-NH2 3.36Å; E546-R607 PolarHBondContact OE2-NH2 3.34Å; F578-R607 PolarHBondContact O-NH1 3.21Å; Q579-R607 CarbonylContact O-C 3.5Å; Q579-R607 VanDerWaalsContact O-CA 3.29Å; Q579-R607 WeakPolarHBondContact O-CA 3.39Å; K604-R607 HydrophobicContact CB-CB 4.03Å; K604-R607 HydrophobicContact CB-CG 3.61Å; K604-R607 WeakPolarHBondContact O-CB 3.26Å; K604-R607 PolarHBondContact O-N 3.48Å; K604-R607 VanDerWaalsContact O-N 3.08Å; P605-R607 VanDerWaalsContact C-N 3.31Å; P605-R607 PolarHBondContact O-N 3.03Å
608K92.6Very high93.8Very high56 Ų5636 Ų3624%0.24321%0.207CC..EExtended strand (participates in β ladder)trans-124.5130.5170-173.7175.4178.5177.10108.6T3 Q579 E580 A581T3-K608 PolarHBondContact O-NZ 3.22Å; Q579-K608 PolarHBondContact O-N 3.46Å; E580-K608 CarbonylContact C-O 3.48Å; E580-K608 VanDerWaalsContact CA-O 3.31Å; E580-K608 WeakPolarHBondContact CA-O 3.41Å; E580-K608 HydrophobicContact CG-CB 4.2Å; A581-K608 PolarHBondContact N-O 2.97Å
609V96.3Very high93.8Very high6 Ų635.5 Ų35.54%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-123.8132.2177.1-1770000107.7D149 M545 A581 V583 L597 Y600 A601D149-V609 WeakPolarHBondContact CB-O 3.43Å; M545-V609 HydrophobicContact SD-CG2 4.15Å; A581-V609 CarbonylContact O-C 3.4Å; A581-V609 VanDerWaalsContact O-CA 3.3Å; A581-V609 WeakPolarHBondContact O-CA 3.48Å; V583-V609 HydrophobicContact CG2-CG1 3.75Å; L597-V609 HydrophobicContact CB-CG1 4.25Å; L597-V609 HydrophobicContact CD1-CG1 4.38Å; L597-V609 HydrophobicContact CD2-CG1 4.25Å; Y600-V609 HydrophobicContact CD1-CG2 4.21Å; Y600-V609 HydrophobicContact CE1-CG2 4.26Å; A601-V609 HydrophobicContact CB-CB 4.41Å; A601-V609 HydrophobicContact CB-CG2 4.21Å
610V97.9Very high94Very high11 Ų1134.2 Ų34.27%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-114.2125.8170.2178.80000107.4V5 D149 F151 F190 A581 I582 V583V5-V610 HydrophobicContact CG1-CG1 4.09Å; D149-V610 HydrophobicContact CB-CG2 4.5Å; D149-V610 CarbonylContact O-C 3.54Å; D149-V610 WeakPolarHBondContact O-CA 3.28Å; F151-V610 HydrophobicContact CD1-CG1 3.94Å; F151-V610 HydrophobicContact CE1-CG1 4.16Å; F190-V610 HydrophobicContact CE2-CG1 4.44Å; F190-V610 HydrophobicContact CZ-CG1 4.16Å; A581-V610 PolarHBondContact O-N 2.99Å; I582-V610 CarbonylContact C-O 3.53Å; I582-V610 VanDerWaalsContact CA-O 3.31Å; I582-V610 WeakPolarHBondContact CA-O 3.49Å; I582-V610 HydrophobicContact CG1-CB 4.26Å; V583-V610 PolarHBondContact N-O 3.24Å
611Y98.6Very high94.1Very high2 Ų236.1 Ų36.11%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-96.9144.9177.5178.3-108.4000110.9D149 M150 F151 V583 V585 G589 N590 E593 Y594 L597D149-Y611 PolarHBondContact O-N 3.28Å; M150-Y611 CarbonylContact C-O 3.59Å; M150-Y611 VanDerWaalsContact CA-O 3.23Å; M150-Y611 WeakPolarHBondContact CA-O 3.17Å; M150-Y611 HydrophobicContact CE-CD1 4.27Å; M150-Y611 HydrophobicContact CE-CE1 4.25Å; M150-Y611 HydrophobicContact CG-CD1 4.13Å; F151-Y611 VanDerWaalsContact CD1-O 3.28Å; F151-Y611 WeakPolarHBondContact CD1-O 3.44Å; F151-Y611 PolarHBondContact N-O 2.86Å; V583-Y611 HydrophobicContact CB-CD2 4.41Å; V583-Y611 HydrophobicContact CG1-CD2 4.46Å; V583-Y611 CarbonylContact O-C 3.36Å; V585-Y611 HydrophobicContact CG2-CE2 3.78Å; G589-Y611 WeakPolarHBondContact CA-OH 3.4Å; N590-Y611 PolarHBondContact N-OH 3.01Å; N590-Y611 VanDerWaalsContact N-OH 3.15Å; E593-Y611 HydrophobicContact CB-CE2 4.07Å; E593-Y611 PolarHBondContact OE2-OH 3.39Å; Y594-Y611 HydrophobicContact CD2-CD1 4.25Å; Y594-Y611 HydrophobicContact CD2-CG 4.46Å; Y594-Y611 HydrophobicContact CG-CD1 4.43Å; L597-Y611 HydrophobicContact CD1-CD2 3.5Å; L597-Y611 VanDerWaalsContact CD1-CD2 3.5Å; L597-Y611 HydrophobicContact CD1-CE2 4.27Å; L597-Y611 HydrophobicContact CD1-CG 4.14Å
612G98.3Very high94.3Very high0 Ų035.2 Ų35.20%020%0.203CC..EExtended strand (participates in β ladder)trans-155168.616500000113.3F151 V583 F584 V585F151-G612 WeakPolarHBondContact O-CA 2.94Å; V583-G612 PolarHBondContact O-N 3.3Å; F584-G612 CarbonylContact C-O 3.53Å; F584-G612 VanDerWaalsContact CA-O 3.25Å; F584-G612 WeakPolarHBondContact CA-O 3.5Å; V585-G612 PolarHBondContact N-O 3.43Å
613C98Very high94.5Very high0 Ų028.7 Ų28.70%018%0.175CC..EExtended strand (participates in β ladder)trans-152.9161.3-178.456.30000111.3F151 L153 F584 V585 E615F151-C613 PolarHBondContact O-N 3.37Å; L153-C613 PolarHBondContact N-O 3.2Å; F584-C613 WeakPolarHBondContact CE2-O 3.28Å; V585-C613 HydrophobicContact CB-CB 4.4Å; V585-C613 WeakPolarHBondContact O-CA 3.35Å; C613-E615 VanDerWaalsContact SG-C 3.59Å; C613-E615 PolarHBondContact SG-O 2.88Å
614S96.3Very high94.8Very high0 Ų031.5 Ų31.50%018%0.178CC..SBendtrans-62.2-51.7175.958.90000111.2I161 V585 G587 G588I161-S614 VanDerWaalsContact CD1-O 3.29Å; I161-S614 WeakPolarHBondContact CD1-O 3.36Å; I161-S614 PolarHBondContact O-OG 2.99Å; V585-S614 PolarHBondContact O-N 3.2Å; G587-S614 PolarHBondContact N-OG 3.25Å; G588-S614 PolarHBondContact N-OG 3.27Å
615E94.5Very high95.1Very high7 Ų728.7 Ų28.73%0.03317%0.166CC..  trans-126.9141174.8175.1179.6-161.100109.6K158 S162 G588 G589 C613 F617 Q625K158-E615 HydrophobicContact CB-CG 4.17Å; K158-E615 HydrophobicContact CD-CG 4.07Å; K158-E615 VanDerWaalsContact CD-OE1 3.28Å; K158-E615 WeakPolarHBondContact CD-OE1 3.49Å; K158-E615 WeakPolarHBondContact CE-OE1 3.45Å; K158-E615 HydrophobicContact CG-CG 4.33Å; K158-E615 WeakPolarHBondContact CG-OE1 3.47Å; K158-E615 IonicContact NZ-OE1 2.91Å; K158-E615 PolarHBondContact NZ-OE1 3.46Å; S162-E615 WeakPolarHBondContact CB-OE2 3.49Å; G588-E615 CarbonylContact C-O 3.54Å; G588-E615 WeakPolarHBondContact CA-O 3.45Å; G589-E615 PolarHBondContact N-O 3.26Å; C613-E615 VanDerWaalsContact SG-C 3.59Å; C613-E615 PolarHBondContact SG-O 2.88Å; E615-F617 HydrophobicContact CG-CB 4.48Å; E615-Q625 PolarHBondContact OE2-NE2 2.88Å
616L95.8Very high95.6Very high17 Ų1722.6 Ų22.69%0.08913%0.126CC..BIsolated β-bridgetrans-95.1118164.9-177.666.8000108.8L146 M150 I152 Y591L146-L616 HydrophobicContact CD1-CD2 3.63Å; M150-L616 HydrophobicContact CE-CD1 3.47Å; M150-L616 VanDerWaalsContact CE-CD1 3.47Å; M150-L616 HydrophobicContact CE-CD2 3.64Å; M150-L616 HydrophobicContact CE-CG 4.13Å; I152-L616 HydrophobicContact CG2-CB 3.75Å; I152-L616 HydrophobicContact CG2-CD2 4.37Å; Y591-L616 HydrophobicContact CD2-CD1 4.48Å; Y591-L616 HydrophobicContact CD2-CD2 4.39Å; Y591-L616 HydrophobicContact CE1-CD2 4.39Å; Y591-L616 HydrophobicContact CE2-CD2 3.65Å; Y591-L616 HydrophobicContact CE2-CG 4.4Å
617F95.3Very high96.2Very high0 Ų020 Ų200%010%0.099CC..  trans-124.1156.3-178.959.3-120.9000111.7P260 H272 G587 G589 N590 E615 Q621 F622P260-F617 HydrophobicContact CB-CE2 3.74Å; P260-F617 HydrophobicContact CB-CZ 4.19Å; P260-F617 HydrophobicContact CG-CE2 4.09Å; P260-F617 HydrophobicContact CG-CZ 4.15Å; H272-F617 PolarHBondContact CE1-O 3.04Å; G587-F617 WeakPolarHBondContact O-CE1 3.49Å; G589-F617 PolarHBondContact O-N 2.89Å; N590-F617 HydrophobicContact CB-CE2 4.5Å; E615-F617 HydrophobicContact CG-CB 4.48Å; F617-Q621 VanDerWaalsContact CA-OE1 3.32Å; F617-Q621 HydrophobicContact CB-CB 3.93Å; F617-F622 HydrophobicContact CD1-CD2 4.33Å; F617-F622 HydrophobicContact CD2-CB 3.7Å; F617-F622 HydrophobicContact CD2-CD2 4.47Å; F617-F622 HydrophobicContact CD2-CG 4.26Å; F617-F622 AromaticContact CE1-CD2 3.76Å; F617-F622 HydrophobicContact CE1-CD2 3.76Å; F617-F622 HydrophobicContact CE1-CE2 4.3Å; F617-F622 HydrophobicContact CE1-CG 4.43Å; F617-F622 HydrophobicContact CE2-CB 3.8Å; F617-F622 HydrophobicContact CE2-CD2 4.01Å; F617-F622 AromaticContact CE2-CG 3.87Å; F617-F622 HydrophobicContact CE2-CG 3.87Å; F617-F622 HydrophobicContact CG-CB 4.2Å; F617-F622 HydrophobicContact CZ-CB 4.27Å; F617-F622 AromaticContact CZ-CD2 3.6Å; F617-F622 HydrophobicContact CZ-CD2 3.6Å; F617-F622 HydrophobicContact CZ-CE2 4.09Å; F617-F622 AromaticContact CZ-CG 3.94Å; F617-F622 HydrophobicContact CZ-CG 3.94Å
618N95.7Very high96.5Very high24 Ų2421.6 Ų21.613%0.12811%0.108CC..  trans-96.2176.4163.96614.2000110.9H272 A620 Q621 F622H272-N618 PolarHBondContact CE1-N 3.45Å; H272-N618 VanDerWaalsContact O-CB 3.24Å; H272-N618 WeakPolarHBondContact O-CB 3.25Å; H272-N618 PolarHBondContact O-ND2 3.29Å; N618-A620 VanDerWaalsContact C-N 3.32Å; N618-A620 PolarHBondContact O-N 3.38Å; N618-A620 PolarHBondContact OD1-N 3.45Å; N618-Q621 PolarHBondContact O-N 2.79Å; N618-Q621 WeakPolarHBondContact OD1-CB 3.45Å; N618-Q621 VanDerWaalsContact OD1-CG 3.24Å; N618-Q621 WeakPolarHBondContact OD1-CG 3.42Å; N618-Q621 PolarHBondContact OD1-N 3.46Å; N618-F622 PolarHBondContact O-N 3.38Å
619A96.1Very high96.7Very high2 Ų220 Ų202%0.01710%0.102CC..Hα-helixtrans-61.7-40.8-175.900000112.1P260 D273 Q621 F622 M623P260-A619 WeakPolarHBondContact O-CA 3.25Å; P260-A619 WeakPolarHBondContact O-CB 3.45Å; D273-A619 WeakPolarHBondContact OD1-CB 3.37Å; A619-Q621 PolarHBondContact O-N 2.92Å; A619-F622 PolarHBondContact O-N 3.45Å; A619-M623 VanDerWaalsContact O-CB 3.27Å; A619-M623 WeakPolarHBondContact O-CB 3.34Å; A619-M623 VanDerWaalsContact O-CG 3.27Å; A619-M623 WeakPolarHBondContact O-CG 3.47Å; A619-M623 PolarHBondContact O-N 2.96Å
620A96.1Very high96.5Very high33 Ų3320 Ų2027%0.27310%0.102SC..Hα-helixtrans-59.5-45.2177.200000112.4E441 N618 M623 K624E441-A620 VanDerWaalsContact OE1-CA 3.32Å; E441-A620 WeakPolarHBondContact OE1-CA 3.2Å; E441-A620 WeakPolarHBondContact OE1-CB 3.5Å; E441-A620 WeakPolarHBondContact OE2-CB 3.39Å; N618-A620 VanDerWaalsContact C-N 3.32Å; N618-A620 PolarHBondContact O-N 3.38Å; N618-A620 PolarHBondContact OD1-N 3.45Å; A620-M623 PolarHBondContact O-N 3.2Å; A620-K624 PolarHBondContact O-N 3.32Å
621Q96.2Very high96.1Very high44 Ų4425.1 Ų25.121%0.20613%0.125CC..Hα-helixtrans-64.6-41.4176.7-73.9173.1-1.300111.7K158 H278 F617 N618 A619 K624 Q625K158-Q621 VanDerWaalsContact NZ-OE1 3.14Å; H278-Q621 PolarHBondContact NE2-NE2 2.92Å; F617-Q621 VanDerWaalsContact CA-OE1 3.32Å; F617-Q621 HydrophobicContact CB-CB 3.93Å; N618-Q621 PolarHBondContact O-N 2.79Å; N618-Q621 WeakPolarHBondContact OD1-CB 3.45Å; N618-Q621 VanDerWaalsContact OD1-CG 3.24Å; N618-Q621 WeakPolarHBondContact OD1-CG 3.42Å; N618-Q621 PolarHBondContact OD1-N 3.46Å; A619-Q621 PolarHBondContact O-N 2.92Å; Q621-K624 WeakPolarHBondContact O-CB 3.36Å; Q621-K624 PolarHBondContact O-N 3.33Å; Q621-Q625 WeakPolarHBondContact O-CG 3.49Å; Q621-Q625 PolarHBondContact O-N 3.47Å
622F97.3Very high94.3Very high0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-67.8-42.5176.6-171.6-122.5000112.1Y163 R253 M257 P260 L261 F617 N618 A619 K624 Q625 L626Y163-F622 HydrophobicContact CD1-CE2 4Å; Y163-F622 HydrophobicContact CG-CE2 4.1Å; R253-F622 HydrophobicContact CG-CE2 4.06Å; R253-F622 HydrophobicContact CG-CZ 4.15Å; M257-F622 HydrophobicContact SD-CE1 4.34Å; M257-F622 HydrophobicContact SD-CZ 3.7Å; P260-F622 HydrophobicContact CB-CD1 3.42Å; P260-F622 VanDerWaalsContact CB-CD1 3.42Å; P260-F622 HydrophobicContact CB-CE1 3.65Å; P260-F622 HydrophobicContact CB-CG 4.07Å; P260-F622 HydrophobicContact CB-CZ 4.47Å; P260-F622 HydrophobicContact CG-CD1 4.33Å; P260-F622 HydrophobicContact CG-CE1 4.14Å; L261-F622 HydrophobicContact CD2-CD1 3.86Å; L261-F622 HydrophobicContact CD2-CE1 4.39Å; L261-F622 HydrophobicContact CG-CD1 4.3Å; L261-F622 HydrophobicContact CG-CE1 4.47Å; F617-F622 HydrophobicContact CD1-CD2 4.33Å; F617-F622 HydrophobicContact CD2-CB 3.7Å; F617-F622 HydrophobicContact CD2-CD2 4.47Å; F617-F622 HydrophobicContact CD2-CG 4.26Å; F617-F622 AromaticContact CE1-CD2 3.76Å; F617-F622 HydrophobicContact CE1-CD2 3.76Å; F617-F622 HydrophobicContact CE1-CE2 4.3Å; F617-F622 HydrophobicContact CE1-CG 4.43Å; F617-F622 HydrophobicContact CE2-CB 3.8Å; F617-F622 HydrophobicContact CE2-CD2 4.01Å; F617-F622 AromaticContact CE2-CG 3.87Å; F617-F622 HydrophobicContact CE2-CG 3.87Å; F617-F622 HydrophobicContact CG-CB 4.2Å; F617-F622 HydrophobicContact CZ-CB 4.27Å; F617-F622 AromaticContact CZ-CD2 3.6Å; F617-F622 HydrophobicContact CZ-CD2 3.6Å; F617-F622 HydrophobicContact CZ-CE2 4.09Å; F617-F622 AromaticContact CZ-CG 3.94Å; F617-F622 HydrophobicContact CZ-CG 3.94Å; N618-F622 PolarHBondContact O-N 3.38Å; A619-F622 PolarHBondContact O-N 3.45Å; F622-K624 VanDerWaalsContact C-N 3.27Å; F622-K624 PolarHBondContact O-N 3.27Å; F622-Q625 WeakPolarHBondContact O-CA 3.26Å; F622-Q625 WeakPolarHBondContact O-CB 3.35Å; F622-Q625 PolarHBondContact O-N 3.5Å; F622-L626 HydrophobicContact CD1-CD1 4Å; F622-L626 HydrophobicContact CD1-CG 4.35Å; F622-L626 HydrophobicContact CE1-CD1 3.75Å; F622-L626 HydrophobicContact CE1-CD2 4.23Å; F622-L626 HydrophobicContact CE1-CG 4.12Å; F622-L626 HydrophobicContact CE2-CD2 4.3Å; F622-L626 HydrophobicContact CZ-CD1 4.27Å; F622-L626 HydrophobicContact CZ-CD2 3.89Å; F622-L626 HydrophobicContact CZ-CG 4.19Å; F622-L626 WeakPolarHBondContact O-CG 3.4Å; F622-L626 PolarHBondContact O-N 2.97Å
623M97.3Very high94.1Very high14 Ų1438.4 Ų38.47%0.06918%0.184CC..Hα-helixtrans-55.8-41.8173.5-82.6-62.4-68.300112L261 E441 M444 R445 L448 P479 A619 A620 L626 S627L261-M623 HydrophobicContact CD2-CG 3.83Å; L261-M623 HydrophobicContact CD2-SD 3.54Å; L261-M623 VanDerWaalsContact CD2-SD 3.54Å; E441-M623 HydrophobicContact CG-CG 4.41Å; M444-M623 HydrophobicContact CB-CE 3.93Å; M444-M623 HydrophobicContact CG-CE 3.33Å; R445-M623 HydrophobicContact CG-CG 4.05Å; R445-M623 HydrophobicContact CG-SD 4.31Å; L448-M623 HydrophobicContact CD1-CE 3.99Å; L448-M623 HydrophobicContact CD1-SD 3.47Å; L448-M623 WeakPolarHBondContact CD1-SD 3.45Å; P479-M623 HydrophobicContact CB-CE 3.85Å; P479-M623 HydrophobicContact CB-SD 4.3Å; P479-M623 HydrophobicContact CG-CE 3.66Å; A619-M623 VanDerWaalsContact O-CB 3.27Å; A619-M623 WeakPolarHBondContact O-CB 3.34Å; A619-M623 VanDerWaalsContact O-CG 3.27Å; A619-M623 WeakPolarHBondContact O-CG 3.47Å; A619-M623 PolarHBondContact O-N 2.96Å; A620-M623 PolarHBondContact O-N 3.2Å; M623-L626 PolarHBondContact O-N 3.05Å; M623-L626 HydrophobicContact SD-CD1 4.4Å; M623-S627 WeakPolarHBondContact O-CB 3.41Å; M623-S627 PolarHBondContact O-N 2.99Å
624K97Very high93.9Very high136 Ų13640.4 Ų40.459%0.59119%0.194SC*.Hα-helixtrans-61.4-43.3173.8-175.2179.2178.5-178.10112A620 Q621 F622 S627 Q628A620-K624 PolarHBondContact O-N 3.32Å; Q621-K624 WeakPolarHBondContact O-CB 3.36Å; Q621-K624 PolarHBondContact O-N 3.33Å; F622-K624 VanDerWaalsContact C-N 3.27Å; F622-K624 PolarHBondContact O-N 3.27Å; K624-S627 WeakPolarHBondContact O-CB 3.42Å; K624-S627 PolarHBondContact O-N 3.48Å; K624-Q628 WeakPolarHBondContact O-CG 3.35Å; K624-Q628 PolarHBondContact O-N 2.87Å
625Q96.9Very high93.8Very high12 Ų1242.6 Ų42.66%0.05620%0.204CC..Hα-helixtrans-62.6-43.4176-67-176.338.700111.4Y163 H164 E615 Q621 F622 Q628 L629Y163-Q625 VanDerWaalsContact CB-OE1 3.27Å; H164-Q625 HydrophobicContact CB-CB 3.94Å; H164-Q625 HydrophobicContact CB-CG 4.04Å; H164-Q625 VanDerWaalsContact N-OE1 3.14Å; E615-Q625 PolarHBondContact OE2-NE2 2.88Å; Q621-Q625 WeakPolarHBondContact O-CG 3.49Å; Q621-Q625 PolarHBondContact O-N 3.47Å; F622-Q625 WeakPolarHBondContact O-CA 3.26Å; F622-Q625 WeakPolarHBondContact O-CB 3.35Å; F622-Q625 PolarHBondContact O-N 3.5Å; Q625-Q628 PolarHBondContact O-N 3.16Å; Q625-L629 WeakPolarHBondContact O-CG 3.39Å; Q625-L629 PolarHBondContact O-N 3.18Å; Q625-L629 VanDerWaalsContact O-N 3.11Å
626L97.2Very high93.8Very high0 Ų044.7 Ų44.70%022%0.215CC..Hα-helixtrans-64.2-39.2175.6-63.2179.3000112.4Y163 L261 L448 P479 Y482 I483 F622 M623 L629 G630Y163-L626 HydrophobicContact CE1-CD2 4.23Å; L261-L626 HydrophobicContact CD2-CD1 4.29Å; L448-L626 HydrophobicContact CD1-CD1 4.37Å; P479-L626 HydrophobicContact CB-CB 3.94Å; Y482-L626 HydrophobicContact CD1-CD2 3.74Å; Y482-L626 HydrophobicContact CE1-CD2 4.03Å; I483-L626 HydrophobicContact CD1-CD1 4.1Å; I483-L626 HydrophobicContact CD1-CD2 4.18Å; I483-L626 HydrophobicContact CG1-CD1 4.23Å; F622-L626 HydrophobicContact CD1-CD1 4Å; F622-L626 HydrophobicContact CD1-CG 4.35Å; F622-L626 HydrophobicContact CE1-CD1 3.75Å; F622-L626 HydrophobicContact CE1-CD2 4.23Å; F622-L626 HydrophobicContact CE1-CG 4.12Å; F622-L626 HydrophobicContact CE2-CD2 4.3Å; F622-L626 HydrophobicContact CZ-CD1 4.27Å; F622-L626 HydrophobicContact CZ-CD2 3.89Å; F622-L626 HydrophobicContact CZ-CG 4.19Å; F622-L626 WeakPolarHBondContact O-CG 3.4Å; F622-L626 PolarHBondContact O-N 2.97Å; M623-L626 PolarHBondContact O-N 3.05Å; M623-L626 HydrophobicContact SD-CD1 4.4Å; L626-L629 PolarHBondContact O-N 3.36Å; L626-G630 PolarHBondContact O-N 3.49Å
627S96.9Very high93.6Very high12 Ų1246.4 Ų46.48%0.08422%0.222CC..Hα-helixtrans-59.5-50.3175.2174.90000110.6D476 S478 M623 K624 L629 G630 Q631D476-S627 WeakPolarHBondContact OD2-CB 3.21Å; D476-S627 PolarHBondContact OD2-OG 2.97Å; S478-S627 WeakPolarHBondContact CB-O 3.44Å; M623-S627 WeakPolarHBondContact O-CB 3.41Å; M623-S627 PolarHBondContact O-N 2.99Å; K624-S627 WeakPolarHBondContact O-CB 3.42Å; K624-S627 PolarHBondContact O-N 3.48Å; S627-L629 VanDerWaalsContact C-N 3.32Å; S627-L629 PolarHBondContact O-N 2.95Å; S627-G630 CarbonylContact O-C 3.59Å; S627-G630 WeakPolarHBondContact O-CA 3.41Å; S627-G630 PolarHBondContact O-N 3.38Å; S627-Q631 WeakPolarHBondContact O-CG 3.48Å; S627-Q631 PolarHBondContact O-N 3.01Å; S627-Q631 PolarHBondContact OG-NE2 3.5Å
628Q96.3Very high93.5Very high78 Ų7849.5 Ų49.536%0.36424%0.237SC..Hα-helixtrans-59.1-41.2178.9-71.1173.1-40.600112.4H164 K624 Q625 G630 Q631H164-Q628 WeakPolarHBondContact CD2-CB 3.45Å; K624-Q628 WeakPolarHBondContact O-CG 3.35Å; K624-Q628 PolarHBondContact O-N 2.87Å; Q625-Q628 PolarHBondContact O-N 3.16Å; Q628-G630 PolarHBondContact O-N 3.44Å; Q628-Q631 PolarHBondContact O-N 2.96Å
629L95.8Very high93.4Very high23 Ų2351.4 Ų51.412%0.1225%0.245CC..Hα-helixtrans-70.1-22.6175.9-66172.6000113.4Y163 H164 N167 R168 Y482 Q625 L626 S627Y163-L629 HydrophobicContact CD1-CD1 3.8Å; Y163-L629 HydrophobicContact CE1-CD1 3.63Å; H164-L629 HydrophobicContact CB-CG 4.46Å; N167-L629 HydrophobicContact CB-CD1 4.11Å; N167-L629 HydrophobicContact CB-CD2 4.26Å; R168-L629 HydrophobicContact CB-CD2 4.31Å; Y482-L629 HydrophobicContact CD1-CB 4.32Å; Y482-L629 HydrophobicContact CD1-CD1 4.27Å; Y482-L629 HydrophobicContact CD2-CB 3.35Å; Y482-L629 HydrophobicContact CD2-CD1 4.26Å; Y482-L629 HydrophobicContact CD2-CG 4.37Å; Y482-L629 HydrophobicContact CE1-CD1 3.8Å; Y482-L629 HydrophobicContact CE2-CB 3.59Å; Y482-L629 HydrophobicContact CE2-CD1 3.78Å; Y482-L629 HydrophobicContact CE2-CG 4.16Å; Y482-L629 HydrophobicContact CG-CB 3.73Å; Y482-L629 HydrophobicContact CG-CD1 4.47Å; Q625-L629 WeakPolarHBondContact O-CG 3.39Å; Q625-L629 PolarHBondContact O-N 3.18Å; Q625-L629 VanDerWaalsContact O-N 3.11Å; L626-L629 PolarHBondContact O-N 3.36Å; S627-L629 VanDerWaalsContact C-N 3.32Å; S627-L629 PolarHBondContact O-N 2.95Å
630G93.8Very high93.2Very high4 Ų455.2 Ų55.24%0.04126%0.263CS..Hα-helixtrans-91.5-13-179.800000114.9S478 L626 S627 Q628S478-G630 WeakPolarHBondContact O-CA 3.48Å; L626-G630 PolarHBondContact O-N 3.49Å; S627-G630 CarbonylContact O-C 3.59Å; S627-G630 WeakPolarHBondContact O-CA 3.41Å; S627-G630 PolarHBondContact O-N 3.38Å; Q628-G630 PolarHBondContact O-N 3.44Å
631Q89.6Confident92.9Very high119 Ų11957 Ų5756%0.55626%0.262SS*.  trans-73.4124.4172.6-72.9169.216.700108.6S627 Q628S627-Q631 WeakPolarHBondContact O-CG 3.48Å; S627-Q631 PolarHBondContact O-N 3.01Å; S627-Q631 PolarHBondContact OG-NE2 3.5Å; Q628-Q631 PolarHBondContact O-N 2.96Å
632K60.9Low92.6Very high242 Ų24258.2 Ų58.2100%1.05227%0.267SS*.  trans-118.10174.8-78.2-168.5177.2-175.50110.2

Retrieved 632 of 632 residues in 1535.7 ms (Link to these results)

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