A0A061ILT2_CRIGR Loading...

Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A061ILT2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ddc, Length 480 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
1M94.9Very high97.8Very high138 Ų13895.8 Ų95.868%0.6847%0.47SS*.  0126.10-172.8178.2-64.500109.9E5 F6 R9 Y53M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CG 4.46Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.83Å; M1-F6 HydrophobicContact CG-CB 4.39Å; M1-F6 HydrophobicContact SD-CB 4.12Å; M1-F6 HydrophobicContact SD-CD2 4.48Å; M1-R9 HydrophobicContact CE-CB 4.35Å; M1-R9 HydrophobicContact CE-CG 3.85Å; M1-Y53 HydrophobicContact CE-CD2 3.94Å
2D96.9Very high97.8Very high102 Ų10293.8 Ų93.855%0.54546%0.459SS..  trans-103.5-173.4172.772.911.8000111.6S4 E5 F6D2-S4 PolarHBondContact O-N 3.05Å; D2-S4 WeakPolarHBondContact OD1-CB 3.27Å; D2-S4 PolarHBondContact OD1-N 2.96Å; D2-E5 PolarHBondContact OD1-N 3.36Å; D2-F6 VanDerWaalsContact O-CB 3.29Å; D2-F6 WeakPolarHBondContact O-CB 3.49Å; D2-F6 PolarHBondContact O-N 3.43Å
3S97.9Very high97.9Very high79 Ų7991.3 Ų91.355%0.55245%0.447SS*.Hα-helixtrans-68.1-29.7-178.374.70000114.5R7S3-R7 VanDerWaalsContact O-CG 3.27Å; S3-R7 WeakPolarHBondContact O-CG 3.47Å; S3-R7 PolarHBondContact O-N 2.98Å
4S98.4Very high97.9Very high82 Ų8289.3 Ų89.357%0.57344%0.442SS*.Hα-helixtrans-73.1-45.1178.7-65.50000110.1D2 R7 R8D2-S4 PolarHBondContact O-N 3.05Å; D2-S4 WeakPolarHBondContact OD1-CB 3.27Å; D2-S4 PolarHBondContact OD1-N 2.96Å; S4-R7 PolarHBondContact O-N 3.2Å; S4-R8 PolarHBondContact O-N 3.48Å
5E97.8Very high98Very high57 Ų5789.7 Ų89.727%0.26645%0.447SS..Hα-helixtrans-63.4-45.4173.4-172.8175.6-162.300110.9M1 D2 R7 R8 R9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CG 4.46Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.83Å; D2-E5 PolarHBondContact OD1-N 3.36Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.34Å; E5-R8 PolarHBondContact O-N 3.36Å; E5-R9 HydrophobicContact CG-CG 3.97Å; E5-R9 WeakPolarHBondContact O-CG 3.34Å; E5-R9 PolarHBondContact O-N 3Å; E5-R9 IonicContact OE1-NE 2.68Å; E5-R9 IonicContact OE1-NH2 3.39Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å
6F98.1Very high98Very high132 Ų13287.3 Ų87.358%0.57943%0.431SS*.Hα-helixtrans-55.3-43.8175.5171.5-102.2000112.5M1 D2 R8 G10M1-F6 HydrophobicContact CG-CB 4.39Å; M1-F6 HydrophobicContact SD-CB 4.12Å; M1-F6 HydrophobicContact SD-CD2 4.48Å; D2-F6 VanDerWaalsContact O-CB 3.29Å; D2-F6 WeakPolarHBondContact O-CB 3.49Å; D2-F6 PolarHBondContact O-N 3.43Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.94Å; F6-G10 WeakPolarHBondContact O-CA 3.3Å; F6-G10 PolarHBondContact O-N 2.99Å
7R98.6Very high98Very high175 Ų17585.2 Ų85.266%0.6642%0.422SS*.Hα-helixtrans-62.7-37.4177-75.3172.4-170.1-77.10.7112.4S3 S4 E5 K11S3-R7 VanDerWaalsContact O-CG 3.27Å; S3-R7 WeakPolarHBondContact O-CG 3.47Å; S3-R7 PolarHBondContact O-N 2.98Å; S4-R7 PolarHBondContact O-N 3.2Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.34Å; R7-K11 WeakPolarHBondContact O-CD 3.49Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 3.34Å; R7-K11 PolarHBondContact O-N 3.44Å
8R98.5Very high98Very high109 Ų10981.9 Ų81.941%0.41141%0.41SS..Hα-helixtrans-70.9-53.7178-175.4175.759.383.5-7110.7S4 E5 F6 G10 K11 E12S4-R8 PolarHBondContact O-N 3.48Å; E5-R8 PolarHBondContact O-N 3.36Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.94Å; R8-G10 VanDerWaalsContact C-N 3.3Å; R8-G10 PolarHBondContact O-N 3.5Å; R8-K11 WeakPolarHBondContact O-CB 3.48Å; R8-K11 PolarHBondContact O-N 3.36Å; R8-K11 VanDerWaalsContact O-N 3.13Å; R8-E12 WeakPolarHBondContact CG-OE1 3.48Å; R8-E12 IonicContact CZ-OE1 2.61Å; R8-E12 IonicContact NH1-OE1 2.65Å; R8-E12 PolarHBondContact NH1-OE1 3.46Å; R8-E12 IonicContact NH1-OE2 3.09Å; R8-E12 PolarHBondContact O-N 2.91Å; R8-E12 VanDerWaalsContact O-N 3.09Å
9R98.1Very high98Very high14 Ų1483.4 Ų83.45%0.05342%0.419CS..Hα-helixtrans-62.9-35.5178.8-58.5-39.7-171.2163.92.4113.2M1 E5 K11 E12 M13 Y53 E54M1-R9 HydrophobicContact CE-CB 4.35Å; M1-R9 HydrophobicContact CE-CG 3.85Å; E5-R9 HydrophobicContact CG-CG 3.97Å; E5-R9 WeakPolarHBondContact O-CG 3.34Å; E5-R9 PolarHBondContact O-N 3Å; E5-R9 IonicContact OE1-NE 2.68Å; E5-R9 IonicContact OE1-NH2 3.39Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å; R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 2.91Å; R9-E12 WeakPolarHBondContact CD-OE2 3.38Å; R9-E12 IonicContact CZ-OE2 2.82Å; R9-E12 IonicContact NE-OE2 3.12Å; R9-E12 IonicContact NH1-OE1 2.8Å; R9-E12 IonicContact NH1-OE2 3.89Å; R9-E12 PolarHBondContact NH1-OE2 2.66Å; R9-E12 PolarHBondContact O-N 3.44Å; R9-M13 WeakPolarHBondContact O-CB 3.36Å; R9-M13 PolarHBondContact O-N 2.69Å; R9-Y53 HydrophobicContact CB-CD2 4.43Å; R9-Y53 HydrophobicContact CB-CE1 4.08Å; R9-Y53 HydrophobicContact CB-CE2 3.97Å; R9-Y53 VanDerWaalsContact CD-CE1 3.48Å; R9-Y53 HydrophobicContact CG-CD1 3.97Å; R9-Y53 HydrophobicContact CG-CD2 4.09Å; R9-Y53 HydrophobicContact CG-CE1 3.96Å; R9-Y53 HydrophobicContact CG-CE2 4.12Å; R9-Y53 HydrophobicContact CG-CG 4Å; R9-Y53 VanDerWaalsContact CZ-CD1 3.42Å; R9-E54 IonicContact CZ-OE1 3.79Å; R9-E54 IonicContact CZ-OE2 2.77Å; R9-E54 IonicContact NH1-OE1 2.75Å; R9-E54 PolarHBondContact NH1-OE1 3.34Å; R9-E54 IonicContact NH2-OE1 3.58Å; R9-E54 PolarHBondContact NH2-OE1 3.02Å; R9-E54 IonicContact NH2-OE2 3.48Å; R9-E54 PolarHBondContact NH2-OE2 3.36Å; R9-E54 VanDerWaalsContact NH2-OE2 3.12Å
10G98.1Very high98.1Very high22 Ų2280.9 Ų80.923%0.22741%0.405CS..Hα-helixtrans-62.1-38.5175.400000112.1F6 R8 V14F6-G10 WeakPolarHBondContact O-CA 3.3Å; F6-G10 PolarHBondContact O-N 2.99Å; R8-G10 VanDerWaalsContact C-N 3.3Å; R8-G10 PolarHBondContact O-N 3.5Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.29Å; G10-V14 PolarHBondContact O-N 2.83Å
11K98.6Very high98Very high144 Ų14478 Ų7863%0.62639%0.391SS*.Hα-helixtrans-68.1-47.2173.4-68.5168.1-174.7-177.10111.2R7 R8 R9 M13 V14 D15R7-K11 WeakPolarHBondContact O-CD 3.49Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 3.34Å; R7-K11 PolarHBondContact O-N 3.44Å; R8-K11 WeakPolarHBondContact O-CB 3.48Å; R8-K11 PolarHBondContact O-N 3.36Å; R8-K11 VanDerWaalsContact O-N 3.13Å; R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 2.91Å; K11-M13 PolarHBondContact O-N 2.62Å; K11-V14 PolarHBondContact O-N 2.54Å; K11-D15 PolarHBondContact O-N 3.5Å
12E98.1Very high98.1Very high71 Ų7178.4 Ų78.433%0.33239%0.391SS..Hα-helixtrans-53.9-41.6175.6-68.4167.2-167.600111.5R8 R9 Y16R8-E12 WeakPolarHBondContact CG-OE1 3.48Å; R8-E12 IonicContact CZ-OE1 2.61Å; R8-E12 IonicContact NH1-OE1 2.65Å; R8-E12 PolarHBondContact NH1-OE1 3.46Å; R8-E12 IonicContact NH1-OE2 3.09Å; R8-E12 PolarHBondContact O-N 2.91Å; R8-E12 VanDerWaalsContact O-N 3.09Å; R9-E12 WeakPolarHBondContact CD-OE2 3.38Å; R9-E12 IonicContact CZ-OE2 2.82Å; R9-E12 IonicContact NE-OE2 3.12Å; R9-E12 IonicContact NH1-OE1 2.8Å; R9-E12 IonicContact NH1-OE2 3.89Å; R9-E12 PolarHBondContact NH1-OE2 2.66Å; R9-E12 PolarHBondContact O-N 3.44Å; E12-Y16 WeakPolarHBondContact O-CB 3.3Å; E12-Y16 PolarHBondContact O-N 2.81Å
13M98.4Very high98.2Very high62 Ų6275.5 Ų75.531%0.30539%0.385SS..Hα-helixtrans-71-37.1177.1-176.658.264.100113R9 K11 Y16 I17 I57R9-M13 WeakPolarHBondContact O-CB 3.36Å; R9-M13 PolarHBondContact O-N 2.69Å; K11-M13 PolarHBondContact O-N 2.62Å; M13-Y16 PolarHBondContact O-N 3.2Å; M13-Y16 HydrophobicContact SD-CD1 4.06Å; M13-I17 HydrophobicContact CG-CD1 3.85Å; M13-I17 HydrophobicContact CG-CG1 4.42Å; M13-I17 WeakPolarHBondContact O-CB 3.3Å; M13-I17 WeakPolarHBondContact O-CD1 3.41Å; M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.01Å; M13-I17 HydrophobicContact SD-CD1 4.08Å; M13-I17 HydrophobicContact SD-CG1 4.12Å; M13-I57 HydrophobicContact CE-CD1 3.5Å; M13-I57 VanDerWaalsContact CE-CD1 3.5Å
14V98.6Very high98.1Very high63 Ų6371.9 Ų71.938%0.38236%0.36SS..Hα-helixtrans-62.6-45.9174.61660000110.4G10 K11 I17 A18 M93G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.29Å; G10-V14 PolarHBondContact O-N 2.83Å; K11-V14 PolarHBondContact O-N 2.54Å; V14-I17 PolarHBondContact O-N 3.17Å; V14-A18 PolarHBondContact O-N 3.05Å; V14-M93 HydrophobicContact CG2-CE 4.07Å; V14-M93 HydrophobicContact CG2-SD 4.47Å
15D98.5Very high98Very high96 Ų9672.5 Ų72.551%0.51335%0.353SS..Hα-helixtrans-61.6-47.2176.9-63.1-23.9000110.1K11 I17 A18 D19K11-D15 PolarHBondContact O-N 3.5Å; D15-I17 PolarHBondContact O-N 3.28Å; D15-A18 PolarHBondContact O-N 2.94Å; D15-D19 WeakPolarHBondContact O-CB 3.47Å; D15-D19 VanDerWaalsContact O-CG 3.3Å; D15-D19 PolarHBondContact O-N 3.25Å
16Y98.3Very high97.9Very high50 Ų5073.4 Ų73.420%0.19638%0.378CS..Hα-helixtrans-56.4-45.4175.5178-97.7000113.4E12 M13 Y20 I60 E61 M65E12-Y16 WeakPolarHBondContact O-CB 3.3Å; E12-Y16 PolarHBondContact O-N 2.81Å; M13-Y16 PolarHBondContact O-N 3.2Å; M13-Y16 HydrophobicContact SD-CD1 4.06Å; Y16-Y20 WeakPolarHBondContact O-CB 3.39Å; Y16-Y20 PolarHBondContact O-N 3.01Å; Y16-I60 HydrophobicContact CE1-CG2 4.34Å; Y16-I60 WeakPolarHBondContact OH-CG2 3.15Å; Y16-E61 HydrophobicContact CE2-CG 4.18Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.17Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E61 PolarHBondContact OH-OE1 2.74Å; Y16-M65 HydrophobicContact CE1-CE 4.11Å; Y16-M65 WeakPolarHBondContact OH-CE 3.42Å
17I98.4Very high97.8Very high53 Ų5370.4 Ų70.427%0.27236%0.363SS..Hα-helixtrans-65.4-41.6179.4-71.3164.7000110.8M13 V14 D15 L21 M89M13-I17 HydrophobicContact CG-CD1 3.85Å; M13-I17 HydrophobicContact CG-CG1 4.42Å; M13-I17 WeakPolarHBondContact O-CB 3.3Å; M13-I17 WeakPolarHBondContact O-CD1 3.41Å; M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.01Å; M13-I17 HydrophobicContact SD-CD1 4.08Å; M13-I17 HydrophobicContact SD-CG1 4.12Å; V14-I17 PolarHBondContact O-N 3.17Å; D15-I17 PolarHBondContact O-N 3.28Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.42Å; I17-M89 HydrophobicContact CG2-SD 4.08Å
18A98.4Very high97.6Very high25 Ų2565 Ų6521%0.20736%0.356CS..Hα-helixtrans-62.2-52.7177.100000110.6V14 D15 Y20 L21 E22V14-A18 PolarHBondContact O-N 3.05Å; D15-A18 PolarHBondContact O-N 2.94Å; A18-Y20 VanDerWaalsContact C-N 3.32Å; A18-Y20 PolarHBondContact O-N 3.2Å; A18-L21 PolarHBondContact O-N 2.96Å; A18-L21 VanDerWaalsContact O-N 3.17Å; A18-E22 WeakPolarHBondContact O-CB 3.28Å; A18-E22 WeakPolarHBondContact O-CG 3.46Å; A18-E22 PolarHBondContact O-N 2.88Å
19D98.4Very high97.5Very high110 Ų11060 Ų6059%0.58834%0.337SS*.Hα-helixtrans-59.4-41.9178.6-69.5-13.2000111.8D15 G23D15-D19 WeakPolarHBondContact O-CB 3.47Å; D15-D19 VanDerWaalsContact O-CG 3.3Å; D15-D19 PolarHBondContact O-N 3.25Å; D19-G23 WeakPolarHBondContact O-CA 3.19Å; D19-G23 PolarHBondContact O-N 3.22Å
20Y98.3Very high97.3Very high34 Ų3463.9 Ų63.913%0.13335%0.353CS..Hα-helixtrans-61-46.3176.3165.4-108.8000111.9Y16 A18 I24 M65 H70Y16-Y20 WeakPolarHBondContact O-CB 3.39Å; Y16-Y20 PolarHBondContact O-N 3.01Å; A18-Y20 VanDerWaalsContact C-N 3.32Å; A18-Y20 PolarHBondContact O-N 3.2Å; Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CE2-CG1 4.26Å; Y20-I24 WeakPolarHBondContact O-CA 3.31Å; Y20-I24 VanDerWaalsContact O-CB 3.26Å; Y20-I24 WeakPolarHBondContact O-CB 3.43Å; Y20-I24 PolarHBondContact O-N 2.82Å; Y20-M65 HydrophobicContact CD2-CE 4Å; Y20-M65 HydrophobicContact CE2-CE 3.96Å; Y20-M65 HydrophobicContact CE2-SD 4.11Å; Y20-M65 HydrophobicContact CG-CE 4.44Å; Y20-H70 AromaticContact CE2-CE1 3.73Å; Y20-H70 AromaticContact CE2-ND1 3.55Å; Y20-H70 AromaticContact CZ-ND1 3.63Å; Y20-H70 PolarHBondContact OH-ND1 3Å
21L97.8Very high97.2Very high20 Ų2063.8 Ų63.811%0.10535%0.348CS..Hα-helixtrans-74-34.5-177.6-70.7171.8000112.7I17 A18 I24 H72 Y86 M89I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.42Å; A18-L21 PolarHBondContact O-N 2.96Å; A18-L21 VanDerWaalsContact O-N 3.17Å; L21-I24 VanDerWaalsContact O-CG2 3.26Å; L21-I24 WeakPolarHBondContact O-CG2 3.23Å; L21-H72 HydrophobicContact CD2-CB 4.26Å; L21-Y86 HydrophobicContact CD1-CD1 4.41Å; L21-Y86 HydrophobicContact CD1-CE1 3.68Å; L21-M89 HydrophobicContact CD1-CE 3.74Å; L21-M89 HydrophobicContact CD1-SD 4.05Å
22E96.9Very high96.9Very high147 Ų14762.8 Ų62.869%0.68735%0.35SS*.Hα-helixtrans-73.6-39.1175.7-69.8-179-176.400111.5A18A18-E22 WeakPolarHBondContact O-CB 3.28Å; A18-E22 WeakPolarHBondContact O-CG 3.46Å; A18-E22 PolarHBondContact O-N 2.88Å
23G97.2Very high96.9Very high41 Ų4161.7 Ų61.742%0.42335%0.348SS..SBendtrans-86.92.6177.300000115.1D19 E25 G26D19-G23 WeakPolarHBondContact O-CA 3.19Å; D19-G23 PolarHBondContact O-N 3.22Å; G23-E25 PolarHBondContact O-N 3.49Å; G23-E25 VanDerWaalsContact O-N 3.12Å; G23-G26 PolarHBondContact O-N 3.31Å
24I97.3Very high96.8Very high3 Ų365.9 Ų65.92%0.01537%0.366CS..G310 helixtrans-61.4-26.9-171.3-159.5165.4000113.1Y20 L21 G26 R27 H70 H72Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CE2-CG1 4.26Å; Y20-I24 WeakPolarHBondContact O-CA 3.31Å; Y20-I24 VanDerWaalsContact O-CB 3.26Å; Y20-I24 WeakPolarHBondContact O-CB 3.43Å; Y20-I24 PolarHBondContact O-N 2.82Å; L21-I24 VanDerWaalsContact O-CG2 3.26Å; L21-I24 WeakPolarHBondContact O-CG2 3.23Å; I24-G26 PolarHBondContact O-N 2.95Å; I24-R27 PolarHBondContact O-N 3.17Å; I24-R27 VanDerWaalsContact O-N 3.15Å; I24-H70 HydrophobicContact CD1-CB 4.09Å; I24-H70 HydrophobicContact CG1-CB 4.11Å; I24-H72 HydrophobicContact CD1-CB 3.78Å
25E95.7Very high96.7Very high94 Ų9469 Ų6944%0.43939%0.388SS..G310 helixtrans-61.1-32.5177.5-169.6-177.6165.500112G23 R27 P74 Y75 H459G23-E25 PolarHBondContact O-N 3.49Å; G23-E25 VanDerWaalsContact O-N 3.12Å; E25-R27 PolarHBondContact O-N 2.89Å; E25-P74 HydrophobicContact CB-CG 4.19Å; E25-P74 HydrophobicContact CG-CG 3.92Å; E25-Y75 HydrophobicContact CG-CD2 4.28Å; E25-Y75 HydrophobicContact CG-CE2 3.44Å; E25-Y75 VanDerWaalsContact CG-CE2 3.44Å; E25-Y75 PolarHBondContact OE1-OH 2.94Å; E25-H459 IonicContact OE1-CD2 2.66Å; E25-H459 IonicContact OE1-NE2 3.92Å; E25-H459 IonicContact OE2-NE2 3.07Å; E25-H459 PolarHBondContact OE2-NE2 3.45Å
26G95.7Very high96.7Very high77 Ų7767 Ų6779%0.79439%0.39SS*.G310 helixtrans-75.7-3.7178.200000114.6G23 I24G23-G26 PolarHBondContact O-N 3.31Å; I24-G26 PolarHBondContact O-N 2.95Å
27R95.6Very high96.7Very high69 Ų6968 Ų6826%0.2639%0.394SS..SBendtrans-99.1144-179.1-60-172.7179.2-114.45111.3I24 E25 V29 E61I24-R27 PolarHBondContact O-N 3.17Å; I24-R27 VanDerWaalsContact O-N 3.15Å; E25-R27 PolarHBondContact O-N 2.89Å; R27-V29 PolarHBondContact O-N 2.99Å; R27-E61 IonicContact CZ-OE1 3.8Å; R27-E61 IonicContact CZ-OE2 3.87Å; R27-E61 IonicContact NH1-OE1 3.69Å; R27-E61 IonicContact NH1-OE2 3.84Å; R27-E61 PolarHBondContact NH1-OE2 3.05Å; R27-E61 IonicContact NH2-OE1 2.77Å; R27-E61 PolarHBondContact NH2-OE1 2.82Å; R27-E61 IonicContact NH2-OE2 3.74Å; R27-E61 PolarHBondContact NH2-OE2 2.81Å
28A94.7Very high96.7Very high62 Ų6268.3 Ų68.351%0.51240%0.396SS..  trans-63.8117.9173.600000110.1Y30 H70A28-Y30 VanDerWaalsContact C-N 3.27Å; A28-Y30 PolarHBondContact O-N 3.21Å; A28-H70 PolarHBondContact O-CD2 3.29Å; A28-H70 VanDerWaalsContact O-CD2 3.26Å
29V96Very high96.6Very high2 Ų275.7 Ų75.71%0.01242%0.419CS..SBendtrans-61.1-34.5-170.359.60000113.8R27 H70 F76 H434R27-V29 PolarHBondContact O-N 2.99Å; V29-H70 PolarHBondContact O-N 3.29Å; V29-F76 HydrophobicContact CG2-CB 3.66Å; V29-F76 HydrophobicContact CG2-CD2 3.95Å; V29-F76 HydrophobicContact CG2-CG 4.31Å; V29-H434 HydrophobicContact CG1-CB 4Å; V29-H434 HydrophobicContact CG2-CB 4.14Å
30Y94.6Very high96.6Very high97 Ų9775.6 Ų75.638%0.3842%0.424SS..SBendtrans-116.8130.6179.8-169.5-110.5000109.8A28 T69 H434A28-Y30 VanDerWaalsContact C-N 3.27Å; A28-Y30 PolarHBondContact O-N 3.21Å; Y30-T69 HydrophobicContact CD2-CG2 4.33Å; Y30-H434 AromaticContact CD2-CE1 3.72Å; Y30-H434 AromaticContact CD2-ND1 3.9Å; Y30-H434 AromaticContact CD2-NE2 3.85Å; Y30-H434 AromaticContact CE2-CE1 3.88Å
31P95Very high96.5Very high20 Ų2078.1 Ų78.113%0.1344%0.439CS..  trans-72.6157.4-170.330.5-37.2000112.8V33 P66 T69P31-V33 HydrophobicContact CB-CG2 4.11Å; P31-V33 HydrophobicContact CG-CG2 4.36Å; P31-P66 WeakPolarHBondContact CB-O 3.35Å; P31-T69 WeakPolarHBondContact CD-OG1 3.35Å
32D94.1Very high96.5Very high123 Ų12380.9 Ų80.966%0.65845%0.453SS*.  trans-106.864.9177-166.318.5000111.3K431D32-K431 HydrophobicContact CB-CD 4.26Å; D32-K431 VanDerWaalsContact CB-NZ 3.33Å; D32-K431 IonicContact OD1-NZ 3.77Å; D32-K431 PolarHBondContact OD1-NZ 2.95Å; D32-K431 IonicContact OD2-NZ 3.55Å; D32-K431 PolarHBondContact OD2-NZ 3.23Å
33V96.1Very high96.5Very high48 Ų4878.7 Ų78.729%0.29145%0.452SS..  trans-138.8148.9-176-610000110.9P31 Y37P31-V33 HydrophobicContact CB-CG2 4.11Å; P31-V33 HydrophobicContact CG-CG2 4.36Å; V33-Y37 HydrophobicContact CB-CD1 3.58Å; V33-Y37 HydrophobicContact CB-CD2 4.09Å; V33-Y37 HydrophobicContact CB-CE1 4.09Å; V33-Y37 HydrophobicContact CB-CG 3.6Å; V33-Y37 HydrophobicContact CG1-CD1 4.17Å; V33-Y37 HydrophobicContact CG1-CD2 3.79Å; V33-Y37 HydrophobicContact CG1-CE1 4.43Å; V33-Y37 HydrophobicContact CG1-CE2 4.09Å; V33-Y37 HydrophobicContact CG1-CG 3.86Å; V33-Y37 HydrophobicContact CG2-CD1 3.54Å; V33-Y37 HydrophobicContact CG2-CE1 3.63Å; V33-Y37 HydrophobicContact CG2-CG 4.09Å
34E96.7Very high96.5Very high149 Ų14983 Ų8370%0.69647%0.47SS*.  trans-94.8155.3175.5-68.1-59.7148.900111.8G36 Y37E34-G36 PolarHBondContact O-N 3.38Å; E34-Y37 WeakPolarHBondContact O-CB 3.32Å; E34-Y37 PolarHBondContact O-N 3.17Å
35P98.1Very high96.6Very high128 Ų12886.2 Ų86.283%0.83150%0.497SS*.THydrogen-bonded Turntrans-51124.9173.8-27.836000112.2
36G97.5Very high96.7Very high55 Ų5585.5 Ų85.557%0.56751%0.508SS*.THydrogen-bonded Turntrans95.8-3.9-178.800000115.8E34 L38 R39 P40E34-G36 PolarHBondContact O-N 3.38Å; G36-L38 PolarHBondContact O-N 2.81Å; G36-R39 PolarHBondContact O-N 3.49Å; G36-P40 VanDerWaalsContact O-CD 3.27Å; G36-P40 WeakPolarHBondContact O-CD 3.24Å
37Y98.1Very high96.8Very high72 Ų7285.6 Ų85.628%0.28249%0.494SS..THydrogen-bonded Turntrans-52.4-33.3-17783.2-80.4000114.7V33 E34 P40 L41 G67V33-Y37 HydrophobicContact CB-CD1 3.58Å; V33-Y37 HydrophobicContact CB-CD2 4.09Å; V33-Y37 HydrophobicContact CB-CE1 4.09Å; V33-Y37 HydrophobicContact CB-CG 3.6Å; V33-Y37 HydrophobicContact CG1-CD1 4.17Å; V33-Y37 HydrophobicContact CG1-CD2 3.79Å; V33-Y37 HydrophobicContact CG1-CE1 4.43Å; V33-Y37 HydrophobicContact CG1-CE2 4.09Å; V33-Y37 HydrophobicContact CG1-CG 3.86Å; V33-Y37 HydrophobicContact CG2-CD1 3.54Å; V33-Y37 HydrophobicContact CG2-CE1 3.63Å; V33-Y37 HydrophobicContact CG2-CG 4.09Å; E34-Y37 WeakPolarHBondContact O-CB 3.32Å; E34-Y37 PolarHBondContact O-N 3.17Å; Y37-P40 VanDerWaalsContact O-CD 3.31Å; Y37-P40 WeakPolarHBondContact O-CD 3.22Å; Y37-P40 WeakPolarHBondContact O-CG 3.18Å; Y37-L41 HydrophobicContact CD2-CD1 4.31Å; Y37-G67 WeakPolarHBondContact OH-CA 3.48Å
38L98.1Very high96.9Very high58 Ų5891 Ų9130%0.30452%0.522SS..THydrogen-bonded Turntrans-76.8-33.9-173.8-175.461.8000113G36 L41 I42 I63 I64G36-L38 PolarHBondContact O-N 2.81Å; L38-L41 WeakPolarHBondContact O-CB 3.37Å; L38-L41 PolarHBondContact O-N 3.11Å; L38-I42 HydrophobicContact CD1-CD1 4.34Å; L38-I42 HydrophobicContact CD1-CG1 4.06Å; L38-I42 HydrophobicContact CG-CG1 4.12Å; L38-I42 PolarHBondContact O-N 2.92Å; L38-I63 HydrophobicContact CD1-CG2 3.26Å; L38-I64 HydrophobicContact CD1-CD1 4.33Å
39R97.7Very high97.1Very high181 Ų18195 Ų9568%0.68353%0.53SS*.G310 helixtrans-55.2-45.6-175.4-178.462.7176.8-1683.5113.7G36 L41G36-R39 PolarHBondContact O-N 3.49Å; R39-L41 PolarHBondContact O-N 3.24Å
40P97.3Very high97.1Very high108 Ų108100.5 Ų100.570%0.70157%0.566SS**G310 helixtrans-71.9-11.6177.529-37000114.1G36 Y37G36-P40 VanDerWaalsContact O-CD 3.27Å; G36-P40 WeakPolarHBondContact O-CD 3.24Å; Y37-P40 VanDerWaalsContact O-CD 3.31Å; Y37-P40 WeakPolarHBondContact O-CD 3.22Å; Y37-P40 WeakPolarHBondContact O-CG 3.18Å
41L97.3Very high97.2Very high86 Ų86100.8 Ų100.845%0.4557%0.574SS.*G310 helixtrans-91.6-13.2-179.6-56.7178.5000113Y37 L38 R39 I63Y37-L41 HydrophobicContact CD2-CD1 4.31Å; L38-L41 WeakPolarHBondContact O-CB 3.37Å; L38-L41 PolarHBondContact O-N 3.11Å; R39-L41 PolarHBondContact O-N 3.24Å; L41-I63 HydrophobicContact CB-CD1 4.31Å; L41-I63 HydrophobicContact CB-CG1 4.43Å; L41-I63 HydrophobicContact CB-CG2 3.69Å; L41-I63 HydrophobicContact CD1-CG2 3.9Å; L41-I63 HydrophobicContact CG-CG2 4.46Å
42I96.8Very high97.3Very high78 Ų78102 Ų10240%0.459%0.586SS.*SBendtrans-110139.4-178.2-58.7-64.1000109.5L38 I63L38-I42 HydrophobicContact CD1-CD1 4.34Å; L38-I42 HydrophobicContact CD1-CG1 4.06Å; L38-I42 HydrophobicContact CG-CG1 4.12Å; L38-I42 PolarHBondContact O-N 2.92Å; I42-I63 HydrophobicContact CD1-CG2 4.09Å
43P96.8Very high97.4Very high102 Ų10298 Ų9866%0.66256%0.562SS**  trans-52.3147.2173.1-27.835.8000112.9A45P43-A45 PolarHBondContact O-N 3.34Å
44T97.9Very high97.4Very high131 Ų13199.5 Ų99.580%0.80457%0.566SS**SBendtrans-70.5-14-176.4540000113.9
45A98.2Very high97.4Very high71 Ų7196 Ų9659%0.58755%0.552SS**SBendtrans-141.7157.4177.900000110.2P43P43-A45 PolarHBondContact O-N 3.34Å
46A98.1Very high97.3Very high79 Ų7994 Ų9465%0.65353%0.533SS*.  trans-64.3148.317400000111.1
47P97.8Very high97.3Very high79 Ų7993.7 Ų93.751%0.51352%0.518SS..  trans-67.5143.8179.933.2-38.5000110.4E49P47-E49 WeakPolarHBondContact CB-O 3.23Å
48Q98.3Very high97.2Very high181 Ų18196.2 Ų96.285%0.84653%0.531SS*.SBendtrans-78.6-32.4176.2-65.1-59.7-59.400111.9
49E97.9Very high97.2Very high146 Ų14696.5 Ų96.568%0.68253%0.532SS*.SBendtrans-109.6154.2177-64.2-57.4148.500109.5P47 D51P47-E49 WeakPolarHBondContact CB-O 3.23Å; E49-D51 PolarHBondContact O-N 3.21Å
50P97Very high97.2Very high119 Ų11990.1 Ų90.177%0.77351%0.511SS*.PPolyproline II helixtrans-66.4132.9-179.727.2-34.7000111.9
51D97.3Very high97.1Very high103 Ų10388.2 Ų88.255%0.55149%0.493SS*.PPolyproline II helixtrans-72156167.8-66.6-37.2000111.4E49 I56E49-D51 PolarHBondContact O-N 3.21Å; D51-I56 HydrophobicContact CB-CD1 4.47Å; D51-I56 HydrophobicContact CB-CG1 4.35Å
52A96.6Very high97Very high45 Ų4591.3 Ų91.337%0.37250%0.503SS..PPolyproline II helixtrans-73142.3171.300000110.9E54 D55 I56A52-E54 PolarHBondContact O-N 2.94Å; A52-D55 PolarHBondContact O-N 3.44Å; A52-I56 PolarHBondContact O-N 3.38Å
53Y96.1Very high97.1Very high39 Ų3988 Ų8815%0.15349%0.486CS..Hα-helixtrans-58.3-36.6177.7177.8-90.8000112.3M1 R9 D55 I56 I57M1-Y53 HydrophobicContact CE-CD2 3.94Å; R9-Y53 HydrophobicContact CB-CD2 4.43Å; R9-Y53 HydrophobicContact CB-CE1 4.08Å; R9-Y53 HydrophobicContact CB-CE2 3.97Å; R9-Y53 VanDerWaalsContact CD-CE1 3.48Å; R9-Y53 HydrophobicContact CG-CD1 3.97Å; R9-Y53 HydrophobicContact CG-CD2 4.09Å; R9-Y53 HydrophobicContact CG-CE1 3.96Å; R9-Y53 HydrophobicContact CG-CE2 4.12Å; R9-Y53 HydrophobicContact CG-CG 4Å; R9-Y53 VanDerWaalsContact CZ-CD1 3.42Å; Y53-D55 PolarHBondContact O-N 3.44Å; Y53-I56 PolarHBondContact O-N 3.27Å; Y53-I57 HydrophobicContact CD1-CG1 3.83Å; Y53-I57 HydrophobicContact CD2-CG1 4.47Å; Y53-I57 HydrophobicContact CE1-CB 4.42Å; Y53-I57 HydrophobicContact CE1-CD1 4.12Å; Y53-I57 HydrophobicContact CE1-CG1 3.29Å; Y53-I57 HydrophobicContact CE2-CD1 4.14Å; Y53-I57 HydrophobicContact CE2-CG1 3.99Å; Y53-I57 HydrophobicContact CG-CG1 4.41Å; Y53-I57 PolarHBondContact O-N 2.95Å
54E96.4Very high97.1Very high80 Ų8086.2 Ų86.237%0.37447%0.47SS..Hα-helixtrans-56-38.7175.8-74.673.3-165.500112.6R9 A52 K58R9-E54 IonicContact CZ-OE1 3.79Å; R9-E54 IonicContact CZ-OE2 2.77Å; R9-E54 IonicContact NH1-OE1 2.75Å; R9-E54 PolarHBondContact NH1-OE1 3.34Å; R9-E54 IonicContact NH2-OE1 3.58Å; R9-E54 PolarHBondContact NH2-OE1 3.02Å; R9-E54 IonicContact NH2-OE2 3.48Å; R9-E54 PolarHBondContact NH2-OE2 3.36Å; R9-E54 VanDerWaalsContact NH2-OE2 3.12Å; A52-E54 PolarHBondContact O-N 2.94Å; E54-K58 WeakPolarHBondContact O-CD 3.31Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 3.32Å
55D96.4Very high97.1Very high75 Ų7581.1 Ų81.140%0.40144%0.437SS..Hα-helixtrans-76.6-38.7-177.5-61.5-33.6000110.5A52 Y53 I57 K58 D59A52-D55 PolarHBondContact O-N 3.44Å; Y53-D55 PolarHBondContact O-N 3.44Å; D55-I57 PolarHBondContact O-N 3.27Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 3.21Å; D55-K58 PolarHBondContact OD1-NZ 2.83Å; D55-D59 PolarHBondContact O-N 2.87Å
56I96.8Very high97.1Very high86 Ų8680.8 Ų80.844%0.44143%0.429SS..Hα-helixtrans-58.9-46.5172.4-60.6171.7000111D51 A52 Y53 D59 I60D51-I56 HydrophobicContact CB-CD1 4.47Å; D51-I56 HydrophobicContact CB-CG1 4.35Å; A52-I56 PolarHBondContact O-N 3.38Å; Y53-I56 PolarHBondContact O-N 3.27Å; I56-D59 PolarHBondContact O-N 2.63Å; I56-I60 PolarHBondContact O-N 3.41Å
57I96.4Very high97Very high49 Ų4978 Ų7825%0.25141%0.408SS..Hα-helixtrans-69.4-36.5-179.8-68.5-57.6000112.4M13 Y53 D55 D59 I60M13-I57 HydrophobicContact CE-CD1 3.5Å; M13-I57 VanDerWaalsContact CE-CD1 3.5Å; Y53-I57 HydrophobicContact CD1-CG1 3.83Å; Y53-I57 HydrophobicContact CD2-CG1 4.47Å; Y53-I57 HydrophobicContact CE1-CB 4.42Å; Y53-I57 HydrophobicContact CE1-CD1 4.12Å; Y53-I57 HydrophobicContact CE1-CG1 3.29Å; Y53-I57 HydrophobicContact CE2-CD1 4.14Å; Y53-I57 HydrophobicContact CE2-CG1 3.99Å; Y53-I57 HydrophobicContact CG-CG1 4.41Å; Y53-I57 PolarHBondContact O-N 2.95Å; D55-I57 PolarHBondContact O-N 3.27Å; I57-D59 PolarHBondContact O-N 3.23Å; I57-I60 HydrophobicContact CD1-CG1 4.31Å; I57-I60 WeakPolarHBondContact O-CB 3.33Å; I57-I60 PolarHBondContact O-N 3.44Å
58K96.5Very high97.1Very high125 Ų12576.1 Ų76.154%0.54340%0.396SS..Hα-helixtrans-59-39.6171.5-73.7165.8-161.9159.20111.2E54 D55 I60 E61 K62E54-K58 WeakPolarHBondContact O-CD 3.31Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 3.32Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 3.21Å; D55-K58 PolarHBondContact OD1-NZ 2.83Å; K58-I60 VanDerWaalsContact C-N 3.29Å; K58-I60 PolarHBondContact O-N 3.21Å; K58-E61 PolarHBondContact O-N 2.93Å; K58-K62 VanDerWaalsContact O-CB 3.22Å; K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 3.48Å
59D97.8Very high97Very high63 Ų6369.2 Ų69.234%0.33737%0.366SS..Hα-helixtrans-69.6-24.6179.1-76.2-14.3000113.1D55 I56 I57 I63 I64D55-D59 PolarHBondContact O-N 2.87Å; I56-D59 PolarHBondContact O-N 2.63Å; I57-D59 PolarHBondContact O-N 3.23Å; D59-I63 HydrophobicContact CB-CD1 4.14Å; D59-I63 WeakPolarHBondContact O-CA 3.42Å; D59-I63 WeakPolarHBondContact O-CB 3.21Å; D59-I63 PolarHBondContact O-N 2.73Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.3Å; D59-I64 PolarHBondContact O-N 3.31Å
60I97.6Very high97Very high47 Ų4762.7 Ų62.724%0.24134%0.335CS..Iπ-helixtrans-58-53.1172.5-62.3-57.8000110.7Y16 I56 I57 K58 I64 M65Y16-I60 HydrophobicContact CE1-CG2 4.34Å; Y16-I60 WeakPolarHBondContact OH-CG2 3.15Å; I56-I60 PolarHBondContact O-N 3.41Å; I57-I60 HydrophobicContact CD1-CG1 4.31Å; I57-I60 WeakPolarHBondContact O-CB 3.33Å; I57-I60 PolarHBondContact O-N 3.44Å; K58-I60 VanDerWaalsContact C-N 3.29Å; K58-I60 PolarHBondContact O-N 3.21Å; I60-I64 HydrophobicContact CD1-CG1 4.07Å; I60-I64 WeakPolarHBondContact O-CA 3.21Å; I60-I64 WeakPolarHBondContact O-CB 3.49Å; I60-I64 PolarHBondContact O-N 2.69Å; I60-M65 HydrophobicContact CG2-CE 4.19Å; I60-M65 HydrophobicContact CG2-CG 4.28Å; I60-M65 WeakPolarHBondContact O-CG 3.22Å; I60-M65 PolarHBondContact O-N 2.81Å
61E94.6Very high97.1Very high69 Ų6961.7 Ų61.732%0.32232%0.316SS..Iπ-helixtrans-75-35.2179.6-74-65168.800112.8Y16 R27 K58 M65 P66Y16-E61 HydrophobicContact CE2-CG 4.18Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.17Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E61 PolarHBondContact OH-OE1 2.74Å; R27-E61 IonicContact CZ-OE1 3.8Å; R27-E61 IonicContact CZ-OE2 3.87Å; R27-E61 IonicContact NH1-OE1 3.69Å; R27-E61 IonicContact NH1-OE2 3.84Å; R27-E61 PolarHBondContact NH1-OE2 3.05Å; R27-E61 IonicContact NH2-OE1 2.77Å; R27-E61 PolarHBondContact NH2-OE1 2.82Å; R27-E61 IonicContact NH2-OE2 3.74Å; R27-E61 PolarHBondContact NH2-OE2 2.81Å; K58-E61 PolarHBondContact O-N 2.93Å; E61-M65 WeakPolarHBondContact OE2-CG 3.36Å; E61-P66 WeakPolarHBondContact O-CD 3.4Å
62K96.9Very high97.1Very high151 Ų15159 Ų5966%0.65730%0.3SS*.Iπ-helixtrans-76-37.8-174.9-177.8-171.5171.7-167.10113.1K58K58-K62 VanDerWaalsContact O-CB 3.22Å; K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 3.48Å
63I97.3Very high97.2Very high8 Ų856.8 Ų56.84%0.04128%0.282CS..Iπ-helixtrans-122.8-36.4-164.8-58.3176.9000111.7L38 L41 I42 D59L38-I63 HydrophobicContact CD1-CG2 3.26Å; L41-I63 HydrophobicContact CB-CD1 4.31Å; L41-I63 HydrophobicContact CB-CG1 4.43Å; L41-I63 HydrophobicContact CB-CG2 3.69Å; L41-I63 HydrophobicContact CD1-CG2 3.9Å; L41-I63 HydrophobicContact CG-CG2 4.46Å; I42-I63 HydrophobicContact CD1-CG2 4.09Å; D59-I63 HydrophobicContact CB-CD1 4.14Å; D59-I63 WeakPolarHBondContact O-CA 3.42Å; D59-I63 WeakPolarHBondContact O-CB 3.21Å; D59-I63 PolarHBondContact O-N 2.73Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.3Å
64I98.3Very high97.3Very high65 Ų6555 Ų5533%0.33328%0.275SS..Iπ-helixtrans-85.6-58.5-178.2-55-56000111.9L38 D59 I60 P66 G67 V68L38-I64 HydrophobicContact CD1-CD1 4.33Å; D59-I64 PolarHBondContact O-N 3.31Å; I60-I64 HydrophobicContact CD1-CG1 4.07Å; I60-I64 WeakPolarHBondContact O-CA 3.21Å; I60-I64 WeakPolarHBondContact O-CB 3.49Å; I60-I64 PolarHBondContact O-N 2.69Å; I64-P66 VanDerWaalsContact C-N 3.31Å; I64-G67 PolarHBondContact O-N 3.41Å; I64-V68 HydrophobicContact CG2-CG2 4.06Å; I64-V68 PolarHBondContact O-N 3.09Å
65M97.8Very high97.4Very high23 Ų2352.9 Ų52.911%0.11326%0.264CS..G310 helixtrans-54-35.5-175-73.9-59.7-178.500114.8Y16 Y20 I60 E61 G67 V68Y16-M65 HydrophobicContact CE1-CE 4.11Å; Y16-M65 WeakPolarHBondContact OH-CE 3.42Å; Y20-M65 HydrophobicContact CD2-CE 4Å; Y20-M65 HydrophobicContact CE2-CE 3.96Å; Y20-M65 HydrophobicContact CE2-SD 4.11Å; Y20-M65 HydrophobicContact CG-CE 4.44Å; I60-M65 HydrophobicContact CG2-CE 4.19Å; I60-M65 HydrophobicContact CG2-CG 4.28Å; I60-M65 WeakPolarHBondContact O-CG 3.22Å; I60-M65 PolarHBondContact O-N 2.81Å; E61-M65 WeakPolarHBondContact OE2-CG 3.36Å; M65-G67 PolarHBondContact O-N 3.14Å; M65-G67 VanDerWaalsContact O-N 3.15Å; M65-V68 PolarHBondContact O-N 3.33Å; M65-V68 VanDerWaalsContact O-N 3.08Å; M65-V68 HydrophobicContact SD-CB 4.32Å; M65-V68 HydrophobicContact SD-CG2 4.07Å
66P96.8Very high97.5Very high64 Ų6449.3 Ų49.342%0.41625%0.245SC..G310 helixtrans-60.2-23.9176.9-27.437.4000115P31 E61 I64P31-P66 WeakPolarHBondContact CB-O 3.35Å; E61-P66 WeakPolarHBondContact O-CD 3.4Å; I64-P66 VanDerWaalsContact C-N 3.31Å
67G97.6Very high97.6Very high21 Ų2145.2 Ų45.222%0.21622%0.224CC..G310 helixtrans-106.67.2175.600000114.8Y37 I64 M65Y37-G67 WeakPolarHBondContact OH-CA 3.48Å; I64-G67 PolarHBondContact O-N 3.41Å; M65-G67 PolarHBondContact O-N 3.14Å; M65-G67 VanDerWaalsContact O-N 3.15Å
68V98.1Very high97.6Very high40 Ų4042.9 Ų42.924%0.24221%0.212CC..  trans-79.4127.2175.2172.20000109.1I64 M65I64-V68 HydrophobicContact CG2-CG2 4.06Å; I64-V68 PolarHBondContact O-N 3.09Å; M65-V68 PolarHBondContact O-N 3.33Å; M65-V68 VanDerWaalsContact O-N 3.08Å; M65-V68 HydrophobicContact SD-CB 4.32Å; M65-V68 HydrophobicContact SD-CG2 4.07Å
69T97.9Very high97.7Very high36 Ų3642.7 Ų42.722%0.22121%0.209CC..  trans-78122.6159.2-59.40000108.2Y30 P31 W71 F76Y30-T69 HydrophobicContact CD2-CG2 4.33Å; P31-T69 WeakPolarHBondContact CD-OG1 3.35Å; T69-W71 PolarHBondContact O-N 2.82Å; T69-F76 HydrophobicContact CG2-CD2 4.04Å; T69-F76 HydrophobicContact CG2-CE2 3.71Å
70H97.8Very high97.7Very high8 Ų840.3 Ų40.34%0.03720%0.196CC..  trans-8579.9-173.7-65.2-61.7000111.4Y20 I24 A28 V29 H72 S73Y20-H70 AromaticContact CE2-CE1 3.73Å; Y20-H70 AromaticContact CE2-ND1 3.55Å; Y20-H70 AromaticContact CZ-ND1 3.63Å; Y20-H70 PolarHBondContact OH-ND1 3Å; I24-H70 HydrophobicContact CD1-CB 4.09Å; I24-H70 HydrophobicContact CG1-CB 4.11Å; A28-H70 PolarHBondContact O-CD2 3.29Å; A28-H70 VanDerWaalsContact O-CD2 3.26Å; V29-H70 PolarHBondContact O-N 3.29Å; H70-H72 PolarHBondContact O-N 2.64Å; H70-S73 WeakPolarHBondContact O-CB 3.47Å; H70-S73 PolarHBondContact O-N 3.39Å
71W98Very high97.6Very high99 Ų9938.2 Ų38.238%0.37519%0.185SC..THydrogen-bonded Turntrans-57.2-19.3-177.5-73.679.4000115.5T69 F76 Y79 T82T69-W71 PolarHBondContact O-N 2.82Å; W71-F76 HydrophobicContact CD2-CE1 4.07Å; W71-F76 AromaticContact CD2-CE2 3.86Å; W71-F76 HydrophobicContact CD2-CE2 3.86Å; W71-F76 AromaticContact CD2-CZ 3.45Å; W71-F76 HydrophobicContact CD2-CZ 3.45Å; W71-F76 VanDerWaalsContact CD2-CZ 3.45Å; W71-F76 AromaticContact CE2-CZ 3.94Å; W71-F76 HydrophobicContact CE3-CD1 4.49Å; W71-F76 AromaticContact CE3-CE1 3.46Å; W71-F76 HydrophobicContact CE3-CE1 3.46Å; W71-F76 VanDerWaalsContact CE3-CE1 3.46Å; W71-F76 HydrophobicContact CE3-CE2 4.07Å; W71-F76 AromaticContact CE3-CZ 3.18Å; W71-F76 HydrophobicContact CE3-CZ 3.18Å; W71-F76 HydrophobicContact CG-CE2 4.14Å; W71-F76 HydrophobicContact CG-CZ 4.12Å; W71-F76 AromaticContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CZ2-CZ 4.18Å; W71-F76 AromaticContact CZ3-CE1 3.86Å; W71-F76 HydrophobicContact CZ3-CE1 3.86Å; W71-F76 AromaticContact CZ3-CZ 3.49Å; W71-F76 HydrophobicContact CZ3-CZ 3.49Å; W71-F76 VanDerWaalsContact CZ3-CZ 3.49Å; W71-Y79 AromaticContact CH2-CD2 3.56Å; W71-Y79 HydrophobicContact CH2-CD2 3.56Å; W71-Y79 HydrophobicContact CH2-CE2 4.08Å; W71-Y79 HydrophobicContact CH2-CG 4.11Å; W71-Y79 HydrophobicContact CZ2-CD2 4.22Å; W71-Y79 HydrophobicContact CZ2-CE2 4.32Å; W71-Y79 HydrophobicContact CZ3-CD2 4.04Å; W71-T82 HydrophobicContact CB-CG2 3.62Å; W71-T82 HydrophobicContact CD2-CG2 4.09Å; W71-T82 HydrophobicContact CE3-CG2 3.78Å; W71-T82 HydrophobicContact CG-CG2 4.06Å
72H97.6Very high97.6Very high45 Ų4536.6 Ų36.621%0.20818%0.18CC..THydrogen-bonded Turntrans-99.11.6177.8-58.9-35.7000113.2L21 I24 H70 T82 S84 S452L21-H72 HydrophobicContact CD2-CB 4.26Å; I24-H72 HydrophobicContact CD1-CB 3.78Å; H70-H72 PolarHBondContact O-N 2.64Å; H72-T82 PolarHBondContact CE1-O 3.37Å; H72-S84 WeakPolarHBondContact CE1-CB 3.42Å; H72-S84 WeakPolarHBondContact NE2-CB 3.44Å; H72-S84 PolarHBondContact NE2-OG 3.23Å; H72-S452 WeakPolarHBondContact O-CB 3.36Å; H72-S452 PolarHBondContact O-OG 2.9Å
73S98.3Very high97.5Very high0 Ų029.5 Ų29.50%015%0.149CC..SBendtrans-62.4138.4172.6176.40000110.1H70 Y75 F76 S452H70-S73 WeakPolarHBondContact O-CB 3.47Å; H70-S73 PolarHBondContact O-N 3.39Å; S73-Y75 PolarHBondContact O-N 3.16Å; S73-Y75 VanDerWaalsContact O-N 3.1Å; S73-Y75 PolarHBondContact OG-N 3.04Å; S73-F76 WeakPolarHBondContact O-CB 3.42Å; S73-F76 PolarHBondContact O-N 3.28Å; S73-S452 WeakPolarHBondContact O-CB 3.38Å
74P98.1Very high97.3Very high2 Ų229.7 Ų29.71%0.01315%0.151CC..THydrogen-bonded Turntrans-63.6-10.517229.8-36.3000113.3E25 F77 V455 H459E25-P74 HydrophobicContact CB-CG 4.19Å; E25-P74 HydrophobicContact CG-CG 3.92Å; P74-F77 WeakPolarHBondContact O-CZ 3.46Å; P74-V455 HydrophobicContact CB-CB 4.39Å; P74-H459 HydrophobicContact CB-CB 4.26Å
75Y98.4Very high97.3Very high35 Ų3526.7 Ų26.714%0.13714%0.136CC..THydrogen-bonded Turntrans-99.35.3175.5-57.8-59.8000114E25 S73 F77 K432 I433 H434 H459E25-Y75 HydrophobicContact CG-CD2 4.28Å; E25-Y75 HydrophobicContact CG-CE2 3.44Å; E25-Y75 VanDerWaalsContact CG-CE2 3.44Å; E25-Y75 PolarHBondContact OE1-OH 2.94Å; S73-Y75 PolarHBondContact O-N 3.16Å; S73-Y75 VanDerWaalsContact O-N 3.1Å; S73-Y75 PolarHBondContact OG-N 3.04Å; Y75-F77 WeakPolarHBondContact O-CD2 3.17Å; Y75-K432 VanDerWaalsContact CB-O 3.23Å; Y75-K432 WeakPolarHBondContact CB-O 3.38Å; Y75-I433 HydrophobicContact CD1-CG2 4.13Å; Y75-I433 HydrophobicContact CG-CG2 4.49Å; Y75-I433 WeakPolarHBondContact O-CA 3.48Å; Y75-H434 PolarHBondContact O-N 3.34Å; Y75-H434 VanDerWaalsContact O-N 3.08Å; Y75-H459 HydrophobicContact CE1-CB 4.21Å; Y75-H459 AromaticContact CE1-CD2 3.91Å; Y75-H459 AromaticContact CZ-CD2 3.72Å
76F98.5Very high97.4Very high0 Ų029.3 Ų29.30%015%0.145CC..BIsolated β-bridgetrans-85.4109.3170.5-175.6-86.8000109.5V29 T69 W71 S73 A78 Y79 H434 C451V29-F76 HydrophobicContact CG2-CB 3.66Å; V29-F76 HydrophobicContact CG2-CD2 3.95Å; V29-F76 HydrophobicContact CG2-CG 4.31Å; T69-F76 HydrophobicContact CG2-CD2 4.04Å; T69-F76 HydrophobicContact CG2-CE2 3.71Å; W71-F76 HydrophobicContact CD2-CE1 4.07Å; W71-F76 AromaticContact CD2-CE2 3.86Å; W71-F76 HydrophobicContact CD2-CE2 3.86Å; W71-F76 AromaticContact CD2-CZ 3.45Å; W71-F76 HydrophobicContact CD2-CZ 3.45Å; W71-F76 VanDerWaalsContact CD2-CZ 3.45Å; W71-F76 AromaticContact CE2-CZ 3.94Å; W71-F76 HydrophobicContact CE3-CD1 4.49Å; W71-F76 AromaticContact CE3-CE1 3.46Å; W71-F76 HydrophobicContact CE3-CE1 3.46Å; W71-F76 VanDerWaalsContact CE3-CE1 3.46Å; W71-F76 HydrophobicContact CE3-CE2 4.07Å; W71-F76 AromaticContact CE3-CZ 3.18Å; W71-F76 HydrophobicContact CE3-CZ 3.18Å; W71-F76 HydrophobicContact CG-CE2 4.14Å; W71-F76 HydrophobicContact CG-CZ 4.12Å; W71-F76 AromaticContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CZ2-CZ 4.18Å; W71-F76 AromaticContact CZ3-CE1 3.86Å; W71-F76 HydrophobicContact CZ3-CE1 3.86Å; W71-F76 AromaticContact CZ3-CZ 3.49Å; W71-F76 HydrophobicContact CZ3-CZ 3.49Å; W71-F76 VanDerWaalsContact CZ3-CZ 3.49Å; S73-F76 WeakPolarHBondContact O-CB 3.42Å; S73-F76 PolarHBondContact O-N 3.28Å; F76-A78 HydrophobicContact CE1-CB 4.19Å; F76-A78 WeakPolarHBondContact CE1-O 3.48Å; F76-A78 HydrophobicContact CE2-CB 4.08Å; F76-A78 HydrophobicContact CZ-CB 3.85Å; F76-Y79 AromaticContact CZ-CD2 3.89Å; F76-Y79 HydrophobicContact CZ-CD2 3.89Å; F76-H434 AromaticContact CE2-CD2 3.81Å; F76-C451 HydrophobicContact CD1-CB 3.9Å; F76-C451 WeakPolarHBondContact O-CB 3.33Å
77F98.6Very high97.5Very high0 Ų026.7 Ų26.70%013%0.128CC..  trans-121.716.3179.1-58.4-73.3000112.7P74 Y75 I433 H434 L435 F448 A449 V455 A463P74-F77 WeakPolarHBondContact O-CZ 3.46Å; Y75-F77 WeakPolarHBondContact O-CD2 3.17Å; F77-I433 HydrophobicContact CD2-CB 4.23Å; F77-I433 HydrophobicContact CD2-CG2 4.44Å; F77-I433 HydrophobicContact CE2-CB 4.48Å; F77-I433 HydrophobicContact CE2-CG2 4.2Å; F77-H434 CarbonylContact C-O 3.6Å; F77-H434 VanDerWaalsContact C-O 3.29Å; F77-H434 WeakPolarHBondContact CA-O 3.43Å; F77-H434 PolarHBondContact N-O 3.09Å; F77-L435 HydrophobicContact CB-CD2 3.53Å; F77-L435 HydrophobicContact CG-CD2 4.49Å; F77-F448 HydrophobicContact CB-CD2 3.96Å; F77-F448 HydrophobicContact CB-CE2 4.09Å; F77-F448 HydrophobicContact CB-CG 4.33Å; F77-F448 HydrophobicContact CD1-CD1 4.17Å; F77-F448 HydrophobicContact CD1-CD2 4.21Å; F77-F448 AromaticContact CD1-CE1 3.6Å; F77-F448 HydrophobicContact CD1-CE1 3.6Å; F77-F448 AromaticContact CD1-CE2 3.66Å; F77-F448 HydrophobicContact CD1-CE2 3.66Å; F77-F448 HydrophobicContact CD1-CG 4.45Å; F77-F448 AromaticContact CD1-CZ 3.32Å; F77-F448 HydrophobicContact CD1-CZ 3.32Å; F77-F448 HydrophobicContact CD2-CD2 4.18Å; F77-F448 AromaticContact CD2-CE2 3.5Å; F77-F448 HydrophobicContact CD2-CE2 3.5Å; F77-F448 AromaticContact CD2-CZ 3.92Å; F77-F448 HydrophobicContact CD2-CZ 3.92Å; F77-F448 AromaticContact CE1-CE1 3.69Å; F77-F448 HydrophobicContact CE1-CE1 3.69Å; F77-F448 AromaticContact CE1-CE2 3.87Å; F77-F448 HydrophobicContact CE1-CE2 3.87Å; F77-F448 AromaticContact CE1-CZ 3.21Å; F77-F448 HydrophobicContact CE1-CZ 3.21Å; F77-F448 AromaticContact CE2-CE2 3.71Å; F77-F448 HydrophobicContact CE2-CE2 3.71Å; F77-F448 AromaticContact CE2-CZ 3.81Å; F77-F448 HydrophobicContact CE2-CZ 3.81Å; F77-F448 AromaticContact CG-CD2 3.87Å; F77-F448 HydrophobicContact CG-CD2 3.87Å; F77-F448 HydrophobicContact CG-CE1 4.25Å; F77-F448 AromaticContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CE2 3.47Å; F77-F448 VanDerWaalsContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CG 4.42Å; F77-F448 AromaticContact CG-CZ 3.69Å; F77-F448 HydrophobicContact CG-CZ 3.69Å; F77-F448 HydrophobicContact CZ-CE1 4.37Å; F77-F448 AromaticContact CZ-CE2 3.88Å; F77-F448 HydrophobicContact CZ-CE2 3.88Å; F77-F448 AromaticContact CZ-CZ 3.46Å; F77-F448 HydrophobicContact CZ-CZ 3.46Å; F77-F448 VanDerWaalsContact CZ-CZ 3.46Å; F77-A449 VanDerWaalsContact CA-O 3.25Å; F77-A449 WeakPolarHBondContact CA-O 3.46Å; F77-A449 WeakPolarHBondContact CD1-O 3.12Å; F77-A449 PolarHBondContact O-N 2.59Å; F77-V455 HydrophobicContact CE1-CG2 4.1Å; F77-V455 HydrophobicContact CZ-CG2 4.41Å; F77-A463 HydrophobicContact CD2-CB 4.43Å; F77-A463 HydrophobicContact CE2-CB 3.65Å; F77-A463 HydrophobicContact CZ-CB 4.16Å
78A97.6Very high97.5Very high0 Ų025.7 Ų25.70%012%0.118CC..SBendtrans-86.2159-179.100000112.7F76 F80 H434 V436F76-A78 HydrophobicContact CE1-CB 4.19Å; F76-A78 WeakPolarHBondContact CE1-O 3.48Å; F76-A78 HydrophobicContact CE2-CB 4.08Å; F76-A78 HydrophobicContact CZ-CB 3.85Å; A78-F80 PolarHBondContact O-N 2.9Å; A78-H434 WeakPolarHBondContact CB-CD2 3.5Å; A78-H434 PolarHBondContact N-O 3.11Å; A78-H434 VanDerWaalsContact N-O 3.13Å; A78-V436 HydrophobicContact CB-CG1 3.84Å; A78-V436 HydrophobicContact CB-CG2 4.25Å
79Y98Very high97.5Very high120 Ų12026.1 Ų26.147%0.47112%0.118SC..SBendtrans53.2-127.9176.3-51-77.6000113.2W71 F76 V436 R447 A449W71-Y79 AromaticContact CH2-CD2 3.56Å; W71-Y79 HydrophobicContact CH2-CD2 3.56Å; W71-Y79 HydrophobicContact CH2-CE2 4.08Å; W71-Y79 HydrophobicContact CH2-CG 4.11Å; W71-Y79 HydrophobicContact CZ2-CD2 4.22Å; W71-Y79 HydrophobicContact CZ2-CE2 4.32Å; W71-Y79 HydrophobicContact CZ3-CD2 4.04Å; F76-Y79 AromaticContact CZ-CD2 3.89Å; F76-Y79 HydrophobicContact CZ-CD2 3.89Å; Y79-V436 HydrophobicContact CD1-CG1 4.49Å; Y79-V436 HydrophobicContact CD1-CG2 4.23Å; Y79-V436 HydrophobicContact CD2-CG1 4.48Å; Y79-V436 HydrophobicContact CE1-CG1 4.03Å; Y79-V436 HydrophobicContact CE1-CG2 4.49Å; Y79-V436 HydrophobicContact CE2-CG1 4.03Å; Y79-V436 HydrophobicContact CG-CG2 4.42Å; Y79-V436 VanDerWaalsContact N-CG2 3.3Å; Y79-R447 PolarHBondContact O-NH1 3.18Å; Y79-R447 PolarHBondContact O-NH2 2.75Å; Y79-A449 WeakPolarHBondContact O-CB 3.49Å
80F98.3Very high97.6Very high14 Ų1428.6 Ų28.66%0.06113%0.129CC..SBendtrans-126.7162.3163.2-82.7-49.7000107.6A78 C249 Y274 K303 L408A78-F80 PolarHBondContact O-N 2.9Å; F80-C249 HydrophobicContact CZ-CB 4.39Å; F80-Y274 HydrophobicContact CB-CD2 4.11Å; F80-Y274 AromaticContact CD1-CD1 3.75Å; F80-Y274 HydrophobicContact CD1-CD1 3.75Å; F80-Y274 AromaticContact CD1-CD2 3.52Å; F80-Y274 HydrophobicContact CD1-CD2 3.52Å; F80-Y274 AromaticContact CD1-CE1 3.91Å; F80-Y274 HydrophobicContact CD1-CE1 3.91Å; F80-Y274 AromaticContact CD1-CE2 3.7Å; F80-Y274 HydrophobicContact CD1-CE2 3.7Å; F80-Y274 AromaticContact CD1-CG 3.54Å; F80-Y274 HydrophobicContact CD1-CG 3.54Å; F80-Y274 AromaticContact CD1-CZ 3.88Å; F80-Y274 HydrophobicContact CD2-CD2 4.43Å; F80-Y274 AromaticContact CD2-CG 3.99Å; F80-Y274 HydrophobicContact CD2-CG 3.99Å; F80-Y274 AromaticContact CE1-CD1 3.26Å; F80-Y274 HydrophobicContact CE1-CD1 3.26Å; F80-Y274 AromaticContact CE1-CD2 3.98Å; F80-Y274 HydrophobicContact CE1-CD2 3.98Å; F80-Y274 AromaticContact CE1-CE1 3.41Å; F80-Y274 HydrophobicContact CE1-CE1 3.41Å; F80-Y274 VanDerWaalsContact CE1-CE1 3.41Å; F80-Y274 HydrophobicContact CE1-CE2 4.11Å; F80-Y274 AromaticContact CE1-CG 3.56Å; F80-Y274 HydrophobicContact CE1-CG 3.56Å; F80-Y274 AromaticContact CE1-CZ 3.84Å; F80-Y274 HydrophobicContact CE2-CD1 4.07Å; F80-Y274 AromaticContact CE2-CG 3.95Å; F80-Y274 HydrophobicContact CE2-CG 3.95Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.8Å; F80-Y274 HydrophobicContact CG-CD2 3.8Å; F80-Y274 HydrophobicContact CG-CE2 4.39Å; F80-Y274 AromaticContact CG-CG 3.78Å; F80-Y274 HydrophobicContact CG-CG 3.78Å; F80-Y274 AromaticContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CD1 3.45Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CE1 4.02Å; F80-Y274 AromaticContact CZ-CG 3.77Å; F80-Y274 HydrophobicContact CZ-CG 3.77Å; F80-K303 HydrophobicContact CB-CD 4.47Å; F80-L408 HydrophobicContact CE1-CB 4.2Å; F80-L408 HydrophobicContact CE1-CD2 4.07Å; F80-L408 HydrophobicContact CZ-CD2 4.16Å
81P95.3Very high97.6Very high3 Ų328.2 Ų28.22%0.01913%0.128CC..  trans-64.2151.3-172.4-11.924.7000111.7Y274 K303 W304 C451P81-Y274 HydrophobicContact CG-CE2 4.08Å; P81-K303 CarbonylContact C-O 3.56Å; P81-K303 WeakPolarHBondContact CB-O 3.43Å; P81-K303 CarbonylContact O-C 3.58Å; P81-K303 WeakPolarHBondContact O-CA 3.43Å; P81-K303 VanDerWaalsContact O-O 3.14Å; P81-W304 HydrophobicContact CG-CG 4.45Å; P81-C451 HydrophobicContact CB-CB 3.83Å; P81-C451 HydrophobicContact CG-CB 4.09Å
82T95.5Very high97.6Very high34 Ų3425.1 Ų25.121%0.20912%0.118CC..  trans-101.7115.6154.7-179.80000108.2W71 H72 H302W71-T82 HydrophobicContact CB-CG2 3.62Å; W71-T82 HydrophobicContact CD2-CG2 4.09Å; W71-T82 HydrophobicContact CE3-CG2 3.78Å; W71-T82 HydrophobicContact CG-CG2 4.06Å; H72-T82 PolarHBondContact CE1-O 3.37Å; T82-H302 CarbonylContact C-O 3.21Å; T82-H302 WeakPolarHBondContact CA-O 3.27Å
83A93.7Very high97.6Very high2 Ų227.8 Ų27.82%0.01713%0.132CC..  trans-63.5147.1177.600000110.5P301 H302 K303 L306 V307 N308A83-P301 WeakPolarHBondContact CB-O 3.47Å; A83-H302 WeakPolarHBondContact CB-O 3.14Å; A83-H302 PolarHBondContact N-O 3.1Å; A83-K303 WeakPolarHBondContact CB-O 3.37Å; A83-K303 PolarHBondContact N-O 3.09Å; A83-L306 VanDerWaalsContact CB-N 3.27Å; A83-V307 VanDerWaalsContact CB-O 3.28Å; A83-V307 WeakPolarHBondContact CB-O 3.25Å; A83-N308 WeakPolarHBondContact O-CA 3.27Å
84S94.2Very high97.6Very high12 Ų1231.4 Ų31.48%0.08415%0.151CC..  trans-162.7144175.8-176.50000110.4H72 M89H72-S84 WeakPolarHBondContact CE1-CB 3.42Å; H72-S84 WeakPolarHBondContact NE2-CB 3.44Å; H72-S84 PolarHBondContact NE2-OG 3.23Å; S84-M89 WeakPolarHBondContact OG-CE 3.28Å
85S98.3Very high97.6Very high2 Ų231.9 Ų31.91%0.01415%0.154CC..  trans-157.1154177.668.30000111.3A88 M89 L306 Y369S85-A88 PolarHBondContact O-N 2.86Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 PolarHBondContact OG-N 3.08Å; S85-M89 WeakPolarHBondContact O-CG 3.43Å; S85-M89 PolarHBondContact O-N 3.31Å; S85-L306 WeakPolarHBondContact CB-O 3.45Å; S85-L306 PolarHBondContact OG-O 3.05Å; S85-Y369 WeakPolarHBondContact CB-OH 3.29Å
86Y98.5Very high97.6Very high78 Ų7833.1 Ų33.131%0.30618%0.178SC..Hα-helixtrans-57.4-41.7176.3-59.5-64.1000113.2L21 A88 M89 L90L21-Y86 HydrophobicContact CD1-CD1 4.41Å; L21-Y86 HydrophobicContact CD1-CE1 3.68Å; Y86-A88 VanDerWaalsContact C-N 3.29Å; Y86-A88 PolarHBondContact O-N 3.24Å; Y86-M89 HydrophobicContact CD1-SD 4.19Å; Y86-M89 PolarHBondContact O-N 3.38Å; Y86-L90 WeakPolarHBondContact O-CG 3.22Å; Y86-L90 PolarHBondContact O-N 3.33Å
87P98.7Very high97.5Very high10 Ų1037.1 Ų37.17%0.06521%0.211CC..Hα-helixtrans-54.8-42.1173.1-30.238.4000113.7A91 F364 V365 M368 Y369P87-A91 WeakPolarHBondContact O-CB 3.33Å; P87-A91 PolarHBondContact O-N 2.71Å; P87-A91 VanDerWaalsContact O-N 3.09Å; P87-F364 HydrophobicContact CB-CB 4.21Å; P87-F364 WeakPolarHBondContact O-CD1 3.35Å; P87-V365 HydrophobicContact CB-CG2 4.26Å; P87-M368 HydrophobicContact CB-CB 4.27Å; P87-M368 HydrophobicContact CB-CG 4.44Å; P87-M368 HydrophobicContact CB-SD 3.61Å; P87-M368 HydrophobicContact CG-CB 3.98Å; P87-M368 HydrophobicContact CG-CE 4.06Å; P87-M368 HydrophobicContact CG-CG 4.46Å; P87-M368 HydrophobicContact CG-SD 3.73Å; P87-Y369 HydrophobicContact CG-CD2 4.44Å; P87-Y369 HydrophobicContact CG-CE2 3.87Å
88A98.5Very high97.5Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-69.7-39.3-179.600000111.7S85 Y86 A91 D92 N308 K361 V365S85-A88 PolarHBondContact O-N 2.86Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 PolarHBondContact OG-N 3.08Å; Y86-A88 VanDerWaalsContact C-N 3.29Å; Y86-A88 PolarHBondContact O-N 3.24Å; A88-A91 PolarHBondContact O-N 3.12Å; A88-D92 PolarHBondContact O-N 3.32Å; A88-N308 HydrophobicContact CB-CB 4.46Å; A88-N308 WeakPolarHBondContact CB-OD1 3.21Å; A88-N308 PolarHBondContact O-OD1 3.36Å; A88-K361 HydrophobicContact CB-CB 4.29Å; A88-V365 HydrophobicContact CB-CG2 3.69Å
89M98.6Very high97.4Very high49 Ų4943.4 Ų43.424%0.24126%0.256CS..Hα-helixtrans-62.2-47174.7-69.1166.4168.500112.2I17 L21 S84 S85 Y86 A91 D92 M93I17-M89 HydrophobicContact CG2-SD 4.08Å; L21-M89 HydrophobicContact CD1-CE 3.74Å; L21-M89 HydrophobicContact CD1-SD 4.05Å; S84-M89 WeakPolarHBondContact OG-CE 3.28Å; S85-M89 WeakPolarHBondContact O-CG 3.43Å; S85-M89 PolarHBondContact O-N 3.31Å; Y86-M89 HydrophobicContact CD1-SD 4.19Å; Y86-M89 PolarHBondContact O-N 3.38Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.16Å; M89-D92 PolarHBondContact O-N 2.94Å; M89-M93 WeakPolarHBondContact O-CG 3.49Å; M89-M93 PolarHBondContact O-N 3.2Å
90L98.7Very high97.3Very high88 Ų8838.9 Ų38.946%0.46124%0.241SC..Hα-helixtrans-60.4-39.8176.4-69.8174.2000111.8Y86 M93 L94 F364Y86-L90 WeakPolarHBondContact O-CG 3.22Å; Y86-L90 PolarHBondContact O-N 3.33Å; L90-M93 HydrophobicContact CD2-SD 4.21Å; L90-M93 WeakPolarHBondContact O-CB 3.32Å; L90-M93 PolarHBondContact O-N 2.96Å; L90-L94 PolarHBondContact O-N 3.12Å; L90-L94 VanDerWaalsContact O-N 3.11Å; L90-F364 HydrophobicContact CB-CD1 4.47Å; L90-F364 HydrophobicContact CB-CE1 4.38Å
91A98.6Very high97.2Very high0 Ų042.2 Ų42.20%026%0.259CS..Hα-helixtrans-67.7-39.9176.200000112.7P87 A88 M89 L94 C95 L360 K361 F364P87-A91 WeakPolarHBondContact O-CB 3.33Å; P87-A91 PolarHBondContact O-N 2.71Å; P87-A91 VanDerWaalsContact O-N 3.09Å; A88-A91 PolarHBondContact O-N 3.12Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.16Å; A91-L94 PolarHBondContact O-N 3.3Å; A91-C95 WeakPolarHBondContact O-CB 3.42Å; A91-C95 PolarHBondContact O-N 2.92Å; A91-L360 HydrophobicContact CB-CG 4.29Å; A91-K361 HydrophobicContact CB-CB 3.64Å; A91-F364 HydrophobicContact CB-CB 3.95Å; A91-F364 HydrophobicContact CB-CD1 3.81Å; A91-F364 HydrophobicContact CB-CD2 3.98Å; A91-F364 HydrophobicContact CB-CE1 4.27Å; A91-F364 HydrophobicContact CB-CE2 4.44Å; A91-F364 HydrophobicContact CB-CG 3.66Å
92D98Very high97.1Very high33 Ų3342 Ų4218%0.17626%0.258CS..Hα-helixtrans-69.7-31.8176.1-95.7-7.4000111.8A88 M89 C95 G96 N308 R356 K361A88-D92 PolarHBondContact O-N 3.32Å; M89-D92 PolarHBondContact O-N 2.94Å; D92-C95 PolarHBondContact O-N 3.03Å; D92-G96 PolarHBondContact O-N 2.95Å; D92-N308 PolarHBondContact OD2-ND2 2.84Å; D92-R356 IonicContact OD1-CZ 3.26Å; D92-R356 IonicContact OD1-NH1 3.27Å; D92-R356 PolarHBondContact OD1-NH1 3.32Å; D92-R356 IonicContact OD1-NH2 2.86Å; D92-R356 IonicContact OD2-NH1 2.88Å; D92-R356 IonicContact OD2-NH2 3.74Å; D92-K361 IonicContact OD1-NZ 3.56Å; D92-K361 IonicContact OD2-NZ 2.97Å; D92-K361 PolarHBondContact OD2-NZ 2.87Å
93M98.2Very high97Very high101 Ų10143 Ų4350%0.49826%0.259SS..Hα-helixtrans-58.9-46.8168.1-69.7171.67100111.3V14 M89 L90 G96 A97V14-M93 HydrophobicContact CG2-CE 4.07Å; V14-M93 HydrophobicContact CG2-SD 4.47Å; M89-M93 WeakPolarHBondContact O-CG 3.49Å; M89-M93 PolarHBondContact O-N 3.2Å; L90-M93 HydrophobicContact CD2-SD 4.21Å; L90-M93 WeakPolarHBondContact O-CB 3.32Å; L90-M93 PolarHBondContact O-N 2.96Å; M93-G96 PolarHBondContact O-N 3.09Å; M93-A97 PolarHBondContact O-N 3.14Å; M93-A97 VanDerWaalsContact O-N 3.15Å
94L98.3Very high97Very high77 Ų7743.2 Ų43.240%0.40326%0.26SS..Hα-helixtrans-67.5-39.3177-17958.5000112L90 A91 G96 A97 I98 L360 F364L90-L94 PolarHBondContact O-N 3.12Å; L90-L94 VanDerWaalsContact O-N 3.11Å; A91-L94 PolarHBondContact O-N 3.3Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 2.8Å; L94-A97 PolarHBondContact O-N 3.07Å; L94-A97 VanDerWaalsContact O-N 3.16Å; L94-I98 HydrophobicContact CD1-CD1 4.24Å; L94-I98 HydrophobicContact CD1-CG1 4.24Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 HydrophobicContact CG-CG1 4.44Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 2.99Å; L94-L360 HydrophobicContact CB-CD2 4.19Å; L94-L360 HydrophobicContact CD2-CD2 4.07Å; L94-L360 HydrophobicContact CG-CD2 4Å; L94-F364 HydrophobicContact CD2-CZ 4.32Å
95C97.6Very high97Very high11 Ų1145 Ų457%0.07427%0.265CS..Hα-helixtrans-57.9-42.9174.2-178.20000110.9A91 D92 A97 I98 G99 L360A91-C95 WeakPolarHBondContact O-CB 3.42Å; A91-C95 PolarHBondContact O-N 2.92Å; D92-C95 PolarHBondContact O-N 3.03Å; C95-A97 VanDerWaalsContact C-N 3.34Å; C95-I98 PolarHBondContact O-N 2.88Å; C95-G99 PolarHBondContact O-N 2.75Å; C95-L360 HydrophobicContact CB-CD2 4.31Å
96G97.3Very high96.8Very high61 Ų6147.3 Ų47.363%0.62928%0.284SS*.Hα-helixtrans-62.4-39175.800000112.9D92 M93 L94D92-G96 PolarHBondContact O-N 2.95Å; M93-G96 PolarHBondContact O-N 3.09Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 2.8Å
97A97.7Very high96.7Very high84 Ų8445.6 Ų45.669%0.69429%0.286SS*.Hα-helixtrans-71.7-38.9177.400000113.4M93 L94 C95M93-A97 PolarHBondContact O-N 3.14Å; M93-A97 VanDerWaalsContact O-N 3.15Å; L94-A97 PolarHBondContact O-N 3.07Å; L94-A97 VanDerWaalsContact O-N 3.16Å; C95-A97 VanDerWaalsContact C-N 3.34Å
98I98Very high96.6Very high81 Ų8146 Ų4642%0.41529%0.289SS..Hα-helixtrans-66.5-41.4175.9-67.1170000110.2L94 C95 C100 F357 L360L94-I98 HydrophobicContact CD1-CD1 4.24Å; L94-I98 HydrophobicContact CD1-CG1 4.24Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 HydrophobicContact CG-CG1 4.44Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 2.99Å; C95-I98 PolarHBondContact O-N 2.88Å; I98-C100 HydrophobicContact CG2-CB 3.86Å; I98-C100 PolarHBondContact O-N 2.88Å; I98-F357 HydrophobicContact CD1-CD2 4.28Å; I98-F357 HydrophobicContact CD1-CE2 4.4Å; I98-L360 HydrophobicContact CD1-CD2 4.29Å
99G95Very high96.5Very high52 Ų5248.3 Ų48.354%0.53630%0.304SS..  trans60.218.6172.900000115.1C95C95-G99 PolarHBondContact O-N 2.75Å
100C96.2Very high96.4Very high24 Ų2448.7 Ų48.716%0.16232%0.315CS..  trans-77153.7-177.271.70000112.2I98 S108I98-C100 HydrophobicContact CG2-CB 3.86Å; I98-C100 PolarHBondContact O-N 2.88Å; C100-S108 PolarHBondContact SG-OG 3.07Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å
101I96.2Very high96.4Very high84 Ų8444.6 Ų44.643%0.43129%0.294SS..  trans-118.3115.1174.5-48.8-63.2000108.8F103 A107 R355I101-F103 HydrophobicContact CB-CD1 4.27Å; I101-F103 HydrophobicContact CG2-CD1 3.69Å; I101-F103 HydrophobicContact CG2-CE1 4.36Å; I101-F103 PolarHBondContact O-N 2.93Å; I101-A107 VanDerWaalsContact O-CB 3.29Å; I101-A107 WeakPolarHBondContact O-CB 3.35Å; I101-R355 CarbonylContact C-O 3.59Å; I101-R355 WeakPolarHBondContact CA-O 3.24Å
102G94.6Very high96.3Very high0 Ų044.7 Ų44.70%029%0.294CS..  trans-96.448.5-17400000114.3T104 R355G102-T104 VanDerWaalsContact C-N 3.31Å; G102-R355 PolarHBondContact N-O 3.49Å; G102-R355 WeakPolarHBondContact O-CD 2.72Å; G102-R355 WeakPolarHBondContact O-CG 3.19Å
103F92.9Very high96.2Very high55 Ų5547.8 Ų47.824%0.24131%0.308CS..SBendtrans-69.8-29.8179.455.5-104.4000112.7I101 A107 L333 R347 L353I101-F103 HydrophobicContact CB-CD1 4.27Å; I101-F103 HydrophobicContact CG2-CD1 3.69Å; I101-F103 HydrophobicContact CG2-CE1 4.36Å; I101-F103 PolarHBondContact O-N 2.93Å; F103-A107 HydrophobicContact CD1-CB 4.33Å; F103-A107 HydrophobicContact CD2-CB 4.17Å; F103-A107 HydrophobicContact CE1-CB 3.95Å; F103-A107 HydrophobicContact CE2-CB 3.78Å; F103-A107 HydrophobicContact CG-CB 4.41Å; F103-A107 HydrophobicContact CZ-CB 3.64Å; F103-L333 HydrophobicContact CD2-CD2 3.83Å; F103-L333 HydrophobicContact CE2-CD2 3.63Å; F103-L333 HydrophobicContact CZ-CD2 4.41Å; F103-R347 HydrophobicContact CB-CB 4.39Å; F103-R347 WeakPolarHBondContact O-CB 3.34Å; F103-R347 VanDerWaalsContact O-CG 3.24Å; F103-R347 WeakPolarHBondContact O-CG 3.28Å; F103-R347 PolarHBondContact O-N 3.27Å; F103-L353 HydrophobicContact CB-CD1 3.87Å; F103-L353 HydrophobicContact CB-CG 4.09Å; F103-L353 WeakPolarHBondContact CB-O 3.08Å; F103-L353 HydrophobicContact CD2-CD1 4.48Å; F103-L353 HydrophobicContact CG-CD1 4.26Å; F103-L353 HydrophobicContact CG-CG 4.38Å
104T93.2Very high96.2Very high5 Ų544.5 Ų44.53%0.03129%0.292CS..SBendtrans-125.3161.4168.449.90000109.9G102 A106 A107 D345G102-T104 VanDerWaalsContact C-N 3.31Å; T104-A106 PolarHBondContact O-N 3.46Å; T104-A107 PolarHBondContact O-N 2.62Å; T104-A107 WeakPolarHBondContact OG1-CB 3.49Å; T104-A107 PolarHBondContact OG1-N 3.23Å; T104-A107 VanDerWaalsContact OG1-N 3.1Å; T104-D345 WeakPolarHBondContact CA-OD1 3.5Å; T104-D345 WeakPolarHBondContact CB-OD1 3.19Å
105W94.6Very high96.2Very high51 Ų5140.9 Ų40.919%0.19327%0.273CS..THydrogen-bonded Turntrans-53.5-44.6166.3-178.594.1000111.3A107 S108 P109 T112 E113 H337 I343 D345W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.99Å; W105-S108 CarbonylContact O-C 3.52Å; W105-S108 PolarHBondContact O-N 3.22Å; W105-P109 HydrophobicContact CD2-CB 4.21Å; W105-P109 HydrophobicContact CD2-CG 4.16Å; W105-P109 HydrophobicContact CE3-CG 4.25Å; W105-P109 HydrophobicContact CH2-CB 4.38Å; W105-P109 HydrophobicContact CH2-CG 4.03Å; W105-P109 HydrophobicContact CZ2-CB 3.8Å; W105-P109 HydrophobicContact CZ2-CG 3.95Å; W105-P109 HydrophobicContact CZ3-CG 4.17Å; W105-P109 VanDerWaalsContact O-CA 3.28Å; W105-P109 WeakPolarHBondContact O-CA 3.05Å; W105-P109 WeakPolarHBondContact O-CD 3.28Å; W105-P109 WeakPolarHBondContact O-CG 3.48Å; W105-T112 HydrophobicContact CB-CG2 4.41Å; W105-E113 PolarHBondContact NE1-OE1 3.03Å; W105-H337 HydrophobicContact CE3-CB 4.45Å; W105-H337 AromaticContact CE3-CD2 3.97Å; W105-H337 AromaticContact CZ3-CD2 3.38Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.36Å; W105-H337 AromaticContact CZ3-NE2 3.87Å; W105-I343 HydrophobicContact CB-CB 4.14Å; W105-I343 HydrophobicContact CB-CD1 4.05Å; W105-I343 HydrophobicContact CB-CG1 4.35Å; W105-I343 HydrophobicContact CD2-CG2 4.19Å; W105-I343 HydrophobicContact CG-CB 4.04Å; W105-I343 HydrophobicContact CG-CG2 3.92Å; W105-D345 PolarHBondContact N-OD1 3.21Å
106A94.3Very high96.2Very high49 Ų4941.8 Ų41.841%0.40528%0.278SS..THydrogen-bonded Turntrans-64.8-29-178.300000114.1T104 H335T104-A106 PolarHBondContact O-N 3.46Å; A106-H335 HydrophobicContact CB-CB 3.72Å
107A95.1Very high96.2Very high43 Ų4341.9 Ų41.936%0.35527%0.266SS..THydrogen-bonded Turntrans-69.8-33.7179.200000112.6I101 F103 T104 W105I101-A107 VanDerWaalsContact O-CB 3.29Å; I101-A107 WeakPolarHBondContact O-CB 3.35Å; F103-A107 HydrophobicContact CD1-CB 4.33Å; F103-A107 HydrophobicContact CD2-CB 4.17Å; F103-A107 HydrophobicContact CE1-CB 3.95Å; F103-A107 HydrophobicContact CE2-CB 3.78Å; F103-A107 HydrophobicContact CG-CB 4.41Å; F103-A107 HydrophobicContact CZ-CB 3.64Å; T104-A107 PolarHBondContact O-N 2.62Å; T104-A107 WeakPolarHBondContact OG1-CB 3.49Å; T104-A107 PolarHBondContact OG1-N 3.23Å; T104-A107 VanDerWaalsContact OG1-N 3.1Å; W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.99Å
108S96.9Very high96.2Very high17 Ų1737.9 Ų37.912%0.11923%0.233CC..  trans-163.894171.1-170.60000110.1C100 W105 A110 C111 T112C100-S108 PolarHBondContact SG-OG 3.07Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å; W105-S108 CarbonylContact O-C 3.52Å; W105-S108 PolarHBondContact O-N 3.22Å; S108-A110 VanDerWaalsContact C-N 3.29Å; S108-A110 PolarHBondContact O-N 3.15Å; S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 2.98Å; S108-C111 PolarHBondContact O-N 3.32Å; S108-T112 PolarHBondContact O-N 3.07Å
109P96.4Very high96.3Very high50 Ų5034.1 Ų34.133%0.32521%0.214SC..Hα-helixtrans-55.5-44.1-176.3-31.436.9000112.7W105 C111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.21Å; W105-P109 HydrophobicContact CD2-CG 4.16Å; W105-P109 HydrophobicContact CE3-CG 4.25Å; W105-P109 HydrophobicContact CH2-CB 4.38Å; W105-P109 HydrophobicContact CH2-CG 4.03Å; W105-P109 HydrophobicContact CZ2-CB 3.8Å; W105-P109 HydrophobicContact CZ2-CG 3.95Å; W105-P109 HydrophobicContact CZ3-CG 4.17Å; W105-P109 VanDerWaalsContact O-CA 3.28Å; W105-P109 WeakPolarHBondContact O-CA 3.05Å; W105-P109 WeakPolarHBondContact O-CD 3.28Å; W105-P109 WeakPolarHBondContact O-CG 3.48Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3.42Å; P109-T112 PolarHBondContact O-N 3.06Å; P109-T112 VanDerWaalsContact O-N 3.16Å; P109-E113 WeakPolarHBondContact O-CB 3.21Å; P109-E113 WeakPolarHBondContact O-CG 3.47Å; P109-E113 PolarHBondContact O-N 2.86Å
110A97.8Very high96.4Very high56 Ų5632.6 Ų32.646%0.46319%0.194SC..Hα-helixtrans-61.2-34.7179.100000113.1S108 T112 L114 F357S108-A110 VanDerWaalsContact C-N 3.29Å; S108-A110 PolarHBondContact O-N 3.15Å; A110-T112 VanDerWaalsContact C-N 3.34Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.08Å; A110-L114 VanDerWaalsContact O-N 3.11Å; A110-F357 HydrophobicContact CB-CE2 4.37Å; A110-F357 HydrophobicContact CB-CZ 4.17Å; A110-F357 WeakPolarHBondContact O-CE1 3.33Å; A110-F357 WeakPolarHBondContact O-CZ 3.35Å
111C97.7Very high96.5Very high2 Ų236.5 Ų36.51%0.01421%0.205CC..Hα-helixtrans-61.8-44.4176.8-173.40000111.1S108 P109 E115 F357S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 2.98Å; S108-C111 PolarHBondContact O-N 3.32Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3.42Å; C111-E115 WeakPolarHBondContact O-CB 3.42Å; C111-F357 HydrophobicContact CB-CD1 4.23Å; C111-F357 HydrophobicContact CB-CG 4.29Å
112T96.4Very high96.6Very high3 Ų332.5 Ų32.52%0.01818%0.184CC..Hα-helixtrans-74.6-52.6-179.9-65.50000111.8W105 S108 P109 A110 L114 E115 T116 T344 Y346W105-T112 HydrophobicContact CB-CG2 4.41Å; S108-T112 PolarHBondContact O-N 3.07Å; P109-T112 PolarHBondContact O-N 3.06Å; P109-T112 VanDerWaalsContact O-N 3.16Å; A110-T112 VanDerWaalsContact C-N 3.34Å; T112-L114 PolarHBondContact O-N 3.26Å; T112-E115 PolarHBondContact O-N 2.85Å; T112-E115 VanDerWaalsContact O-N 3.17Å; T112-T116 PolarHBondContact O-N 3Å; T112-T116 PolarHBondContact O-OG1 3.25Å; T112-T344 WeakPolarHBondContact CG2-O 3.46Å; T112-Y346 HydrophobicContact CG2-CD2 3.93Å; T112-Y346 HydrophobicContact CG2-CE2 3.81Å
113E96.4Very high96.8Very high98 Ų9832.5 Ų32.546%0.45818%0.184SC..Hα-helixtrans-60.9-46.5-174.3-65.5-95.6-176.800111.5W105 P109 E115 T116 V117W105-E113 PolarHBondContact NE1-OE1 3.03Å; P109-E113 WeakPolarHBondContact O-CB 3.21Å; P109-E113 WeakPolarHBondContact O-CG 3.47Å; P109-E113 PolarHBondContact O-N 2.86Å; E113-E115 VanDerWaalsContact C-N 3.31Å; E113-E115 PolarHBondContact O-N 2.83Å; E113-T116 PolarHBondContact O-N 3.35Å; E113-V117 WeakPolarHBondContact O-CG2 3.31Å; E113-V117 PolarHBondContact O-N 3.22Å; E113-V117 VanDerWaalsContact O-N 3.07Å
114L98.3Very high97.1Very high32 Ų3235.7 Ų35.717%0.16820%0.198CC..Hα-helixtrans-66.3-35.6178.9-174.764.4000111.3A110 T112 V117 M118 F357 L360 W363A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.08Å; A110-L114 VanDerWaalsContact O-N 3.11Å; T112-L114 PolarHBondContact O-N 3.26Å; L114-V117 PolarHBondContact O-N 2.89Å; L114-M118 HydrophobicContact CD1-CE 4.14Å; L114-M118 HydrophobicContact CD1-CG 4.23Å; L114-M118 HydrophobicContact CG-CG 4.18Å; L114-M118 WeakPolarHBondContact O-CB 3.3Å; L114-M118 VanDerWaalsContact O-CG 3.22Å; L114-M118 WeakPolarHBondContact O-CG 3.48Å; L114-M118 PolarHBondContact O-N 3.36Å; L114-F357 HydrophobicContact CB-CE1 3.92Å; L114-F357 HydrophobicContact CB-CZ 4.26Å; L114-F357 HydrophobicContact CD2-CE1 3.58Å; L114-F357 HydrophobicContact CD2-CZ 3.79Å; L114-F357 HydrophobicContact CG-CE1 4.27Å; L114-L360 HydrophobicContact CD2-CD1 4.24Å; L114-W363 HydrophobicContact CD1-CB 4.29Å; L114-W363 HydrophobicContact CD1-CD2 4.42Å; L114-W363 HydrophobicContact CD1-CG 3.95Å; L114-W363 HydrophobicContact CD2-CB 4.12Å; L114-W363 HydrophobicContact CD2-CG 4.31Å
115E98.4Very high97.3Very high1 Ų136.8 Ų36.81%0.00520%0.203CC..Hα-helixtrans-62.2-46.7175.1-173.7158.3141.300111.5C111 T112 E113 V117 M118 M119 I144 Y346 R355 S359C111-E115 WeakPolarHBondContact O-CB 3.42Å; T112-E115 PolarHBondContact O-N 2.85Å; T112-E115 VanDerWaalsContact O-N 3.17Å; E113-E115 VanDerWaalsContact C-N 3.31Å; E113-E115 PolarHBondContact O-N 2.83Å; E115-V117 VanDerWaalsContact C-N 3.32Å; E115-V117 PolarHBondContact O-N 2.9Å; E115-M118 PolarHBondContact O-N 3.15Å; E115-M119 HydrophobicContact CG-CG 4.23Å; E115-M119 WeakPolarHBondContact O-CB 3.45Å; E115-M119 VanDerWaalsContact O-CG 3.25Å; E115-M119 WeakPolarHBondContact O-CG 3.09Å; E115-M119 PolarHBondContact O-N 3.23Å; E115-I144 HydrophobicContact CG-CD1 3.79Å; E115-I144 HydrophobicContact CG-CG1 3.87Å; E115-I144 PolarHBondContact OE1-N 3.13Å; E115-Y346 HydrophobicContact CB-CE2 3.99Å; E115-Y346 HydrophobicContact CG-CE2 4.1Å; E115-R355 IonicContact OE1-CZ 3.54Å; E115-R355 IonicContact OE1-NH1 2.92Å; E115-R355 PolarHBondContact OE1-NH1 3.43Å; E115-R355 IonicContact OE1-NH2 3.42Å; E115-R355 IonicContact OE2-NH1 2.7Å; E115-R355 PolarHBondContact OE2-NH1 3.19Å; E115-S359 PolarHBondContact N-OG 3.49Å
116T96.4Very high97.5Very high29 Ų2934.3 Ų34.318%0.17819%0.194CC..Hα-helixtrans-55.4-47.8175.1-54.10000111.5T112 E113 M119 D120 A134 Y346T112-T116 PolarHBondContact O-N 3Å; T112-T116 PolarHBondContact O-OG1 3.25Å; E113-T116 PolarHBondContact O-N 3.35Å; T116-M119 PolarHBondContact O-N 3Å; T116-D120 PolarHBondContact O-N 3.15Å; T116-A134 HydrophobicContact CG2-CB 3.51Å; T116-Y346 WeakPolarHBondContact CA-OH 3.48Å; T116-Y346 PolarHBondContact N-OH 3.04Å; T116-Y346 PolarHBondContact OG1-OH 3.12Å
117V97.3Very high97.7Very high63 Ų6337.9 Ų37.938%0.38220%0.202SC..Hα-helixtrans-66.1-40.8179.7178.90000111.8E113 L114 E115 D120 W121E113-V117 WeakPolarHBondContact O-CG2 3.31Å; E113-V117 PolarHBondContact O-N 3.22Å; E113-V117 VanDerWaalsContact O-N 3.07Å; L114-V117 PolarHBondContact O-N 2.89Å; E115-V117 VanDerWaalsContact C-N 3.32Å; E115-V117 PolarHBondContact O-N 2.9Å; V117-D120 PolarHBondContact O-N 3.3Å; V117-W121 WeakPolarHBondContact O-CB 3.43Å; V117-W121 VanDerWaalsContact O-CD1 3.27Å; V117-W121 PolarHBondContact O-N 3.42Å
118M98.6Very high97.8Very high1 Ų136.4 Ų36.41%0.00519%0.188CC..Hα-helixtrans-67.8-36.8178.9-71-5391.500112.6L114 E115 W121 L122 M362 W363 F366L114-M118 HydrophobicContact CD1-CE 4.14Å; L114-M118 HydrophobicContact CD1-CG 4.23Å; L114-M118 HydrophobicContact CG-CG 4.18Å; L114-M118 WeakPolarHBondContact O-CB 3.3Å; L114-M118 VanDerWaalsContact O-CG 3.22Å; L114-M118 WeakPolarHBondContact O-CG 3.48Å; L114-M118 PolarHBondContact O-N 3.36Å; E115-M118 PolarHBondContact O-N 3.15Å; M118-W121 HydrophobicContact CE-CD2 3.65Å; M118-W121 HydrophobicContact CE-CE3 3.55Å; M118-W121 HydrophobicContact CE-CG 4.14Å; M118-W121 HydrophobicContact CE-CH2 4.34Å; M118-W121 HydrophobicContact CE-CZ2 4.42Å; M118-W121 HydrophobicContact CE-CZ3 3.92Å; M118-W121 PolarHBondContact O-N 3.23Å; M118-W121 HydrophobicContact SD-CE3 4.15Å; M118-L122 VanDerWaalsContact O-CB 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.19Å; M118-L122 PolarHBondContact O-N 3.17Å; M118-M362 HydrophobicContact CB-CB 4.48Å; M118-M362 HydrophobicContact CB-CE 4.35Å; M118-M362 HydrophobicContact CG-CB 4.38Å; M118-W363 HydrophobicContact CE-CG 4.46Å; M118-W363 HydrophobicContact CG-CB 4.19Å; M118-W363 WeakPolarHBondContact SD-CA 3.23Å; M118-W363 HydrophobicContact SD-CB 3.65Å; M118-W363 HydrophobicContact SD-CG 4.06Å; M118-F366 HydrophobicContact SD-CD2 4.04Å
119M98.6Very high97.8Very high1 Ų137.2 Ų37.21%0.00519%0.193CC..Hα-helixtrans-69.5-36.4175.1-68.9-56-65.700111.8E115 T116 G123 I144 A313 W315E115-M119 HydrophobicContact CG-CG 4.23Å; E115-M119 WeakPolarHBondContact O-CB 3.45Å; E115-M119 VanDerWaalsContact O-CG 3.25Å; E115-M119 WeakPolarHBondContact O-CG 3.09Å; E115-M119 PolarHBondContact O-N 3.23Å; T116-M119 PolarHBondContact O-N 3Å; M119-G123 PolarHBondContact O-N 3.34Å; M119-I144 HydrophobicContact CG-CG1 4.32Å; M119-I144 HydrophobicContact SD-CG1 3.69Å; M119-A313 HydrophobicContact CE-CB 3.83Å; M119-A313 HydrophobicContact SD-CB 4.14Å; M119-W315 HydrophobicContact CE-CD2 3.79Å; M119-W315 VanDerWaalsContact CE-CE2 3.43Å; M119-W315 HydrophobicContact CE-CE3 4.09Å; M119-W315 HydrophobicContact CE-CG 4.43Å; M119-W315 HydrophobicContact CE-CH2 3.77Å; M119-W315 HydrophobicContact CE-CZ2 3.44Å; M119-W315 VanDerWaalsContact CE-CZ2 3.44Å; M119-W315 HydrophobicContact CE-CZ3 4.08Å; M119-W315 WeakPolarHBondContact O-CZ2 3.32Å; M119-W315 PolarHBondContact O-NE1 3.02Å; M119-W315 HydrophobicContact SD-CZ2 4.32Å
120D97.8Very high97.7Very high21 Ų2139.7 Ų39.711%0.11220%0.201CC..Hα-helixtrans-68-42.8172.1-89.518000112.2T116 V117 L122 G123 K124 A134 G135T116-D120 PolarHBondContact O-N 3.15Å; V117-D120 PolarHBondContact O-N 3.3Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 2.97Å; D120-G123 PolarHBondContact O-N 3.29Å; D120-K124 WeakPolarHBondContact O-CB 3.39Å; D120-K124 VanDerWaalsContact O-CG 3.24Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 3.46Å; D120-A134 PolarHBondContact OD1-N 3.13Å; D120-G135 PolarHBondContact OD2-N 3.24Å
121W98.6Very high97.6Very high105 Ų10538.9 Ų38.940%0.39819%0.194SC..Hα-helixtrans-58.9-47.7175-82.323000111V117 M118 K124 M125 F366 R367V117-W121 WeakPolarHBondContact O-CB 3.43Å; V117-W121 VanDerWaalsContact O-CD1 3.27Å; V117-W121 PolarHBondContact O-N 3.42Å; M118-W121 HydrophobicContact CE-CD2 3.65Å; M118-W121 HydrophobicContact CE-CE3 3.55Å; M118-W121 HydrophobicContact CE-CG 4.14Å; M118-W121 HydrophobicContact CE-CH2 4.34Å; M118-W121 HydrophobicContact CE-CZ2 4.42Å; M118-W121 HydrophobicContact CE-CZ3 3.92Å; M118-W121 PolarHBondContact O-N 3.23Å; M118-W121 HydrophobicContact SD-CE3 4.15Å; W121-K124 PolarHBondContact O-N 3.49Å; W121-M125 HydrophobicContact CB-CE 4.28Å; W121-M125 VanDerWaalsContact O-CG 3.31Å; W121-M125 WeakPolarHBondContact O-CG 3.3Å; W121-M125 PolarHBondContact O-N 2.97Å; W121-F366 HydrophobicContact CE3-CD2 4.35Å; W121-R367 HydrophobicContact CZ3-CG 4.33Å
122L98.8Very high97.5Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-67.4-41.9-179.8-173.755.2000111.9M118 D120 K124 M125 L126 F299 P301 L305 A313 W315 M362 F366M118-L122 VanDerWaalsContact O-CB 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.19Å; M118-L122 PolarHBondContact O-N 3.17Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 2.97Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.37Å; L122-M125 HydrophobicContact CD1-SD 4.18Å; L122-M125 WeakPolarHBondContact O-CB 3.42Å; L122-M125 PolarHBondContact O-N 2.72Å; L122-M125 VanDerWaalsContact O-N 3.15Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.46Å; L122-L126 VanDerWaalsContact O-N 3.12Å; L122-F299 HydrophobicContact CD1-CE1 4.41Å; L122-F299 HydrophobicContact CD1-CZ 3.89Å; L122-F299 HydrophobicContact CD2-CE1 3.77Å; L122-F299 HydrophobicContact CD2-CZ 3.65Å; L122-F299 HydrophobicContact CG-CE1 4.05Å; L122-F299 HydrophobicContact CG-CZ 3.98Å; L122-P301 HydrophobicContact CD2-CG 3.97Å; L122-L305 HydrophobicContact CD1-CD2 3.84Å; L122-A313 HydrophobicContact CD2-CB 3.92Å; L122-W315 HydrophobicContact CB-CH2 4.22Å; L122-W315 HydrophobicContact CB-CZ2 3.94Å; L122-W315 HydrophobicContact CD2-CH2 3.59Å; L122-W315 HydrophobicContact CD2-CZ2 4.1Å; L122-W315 HydrophobicContact CG-CH2 3.69Å; L122-W315 HydrophobicContact CG-CZ2 3.93Å; L122-M362 HydrophobicContact CB-CE 4.32Å; L122-M362 HydrophobicContact CD2-CE 3.52Å; L122-F366 HydrophobicContact CB-CE2 4.1Å; L122-F366 HydrophobicContact CB-CZ 4.2Å; L122-F366 HydrophobicContact CD1-CE2 4.41Å; L122-F366 HydrophobicContact CD1-CZ 3.78Å; L122-F366 HydrophobicContact CD2-CZ 4.21Å; L122-F366 HydrophobicContact CG-CZ 4.3Å
123G98.4Very high97.5Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-58.3-39.1173.700000112.4M119 D120 L126 E127 L128M119-G123 PolarHBondContact O-N 3.34Å; D120-G123 PolarHBondContact O-N 3.29Å; G123-L126 PolarHBondContact O-N 2.8Å; G123-E127 PolarHBondContact O-N 2.82Å; G123-E127 VanDerWaalsContact O-N 3.11Å; G123-L128 PolarHBondContact O-N 3.35Å
124K98.1Very high97.2Very high123 Ų12335 Ų3554%0.53518%0.179SC..Hα-helixtrans-68.7-37.4174.4-72.2167.9-179.6171.60113.3D120 W121 L122 L126 E127 L133D120-K124 WeakPolarHBondContact O-CB 3.39Å; D120-K124 VanDerWaalsContact O-CG 3.24Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 3.46Å; W121-K124 PolarHBondContact O-N 3.49Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.37Å; K124-L126 PolarHBondContact O-N 2.91Å; K124-E127 PolarHBondContact O-N 2.82Å; K124-E127 VanDerWaalsContact O-N 3.13Å; K124-L133 HydrophobicContact CG-CD1 3.87Å
125M98.6Very high96Very high27 Ų2735.4 Ų35.413%0.13319%0.19CC..Hα-helixtrans-61.6-35.5174.7-68.7173.9-159.300112W121 L122 E127 I280 R285 F366 V371W121-M125 HydrophobicContact CB-CE 4.28Å; W121-M125 VanDerWaalsContact O-CG 3.31Å; W121-M125 WeakPolarHBondContact O-CG 3.3Å; W121-M125 PolarHBondContact O-N 2.97Å; L122-M125 HydrophobicContact CD1-SD 4.18Å; L122-M125 WeakPolarHBondContact O-CB 3.42Å; L122-M125 PolarHBondContact O-N 2.72Å; L122-M125 VanDerWaalsContact O-N 3.15Å; M125-E127 VanDerWaalsContact C-N 3.33Å; M125-I280 HydrophobicContact CB-CB 4.41Å; M125-I280 HydrophobicContact CB-CG2 4Å; M125-R285 PolarHBondContact O-NH2 3.17Å; M125-F366 HydrophobicContact CE-CB 4.42Å; M125-F366 HydrophobicContact CE-CD2 3.79Å; M125-F366 HydrophobicContact CE-CE2 4.11Å; M125-F366 HydrophobicContact CE-CG 4.02Å; M125-V371 HydrophobicContact CE-CG2 3.87Å; M125-V371 HydrophobicContact CG-CG2 3.96Å; M125-V371 HydrophobicContact SD-CG2 3.95Å
126L98.6Very high94.3Very high0 Ų047.4 Ų47.40%024%0.235CC..THydrogen-bonded Turntrans-80.4-13.3176.9-64172000113.6L122 G123 K124 L128 G276 F279 I280 R285 F297 F299 W315L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.46Å; L122-L126 VanDerWaalsContact O-N 3.12Å; G123-L126 PolarHBondContact O-N 2.8Å; K124-L126 PolarHBondContact O-N 2.91Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD2 4.35Å; L126-L128 HydrophobicContact CB-CG 3.91Å; L126-L128 HydrophobicContact CD1-CD1 4Å; L126-L128 HydrophobicContact CD1-CD2 4.45Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L126-G276 VanDerWaalsContact CD2-O 3.24Å; L126-G276 WeakPolarHBondContact CD2-O 3.46Å; L126-F279 HydrophobicContact CD2-CB 3.79Å; L126-I280 HydrophobicContact CD2-CG2 3.88Å; L126-R285 WeakPolarHBondContact O-CD 3.3Å; L126-R285 PolarHBondContact O-NE 3.02Å; L126-F297 HydrophobicContact CD1-CE1 3.78Å; L126-F297 HydrophobicContact CD1-CZ 4.35Å; L126-F299 HydrophobicContact CD1-CD1 4.24Å; L126-F299 HydrophobicContact CD1-CE1 3.65Å; L126-F299 HydrophobicContact CD1-CZ 4.4Å; L126-F299 HydrophobicContact CD2-CE1 4.43Å; L126-W315 HydrophobicContact CD1-CH2 4.04Å; L126-W315 HydrophobicContact CD1-CZ3 4.32Å
127E97.9Very high92.7Very high124 Ų12451.7 Ų51.758%0.57926%0.261SS*.THydrogen-bonded Turntrans54.942.8-167.1-63172.7-159.900112.6G123 K124 M125 R285G123-E127 PolarHBondContact O-N 2.82Å; G123-E127 VanDerWaalsContact O-N 3.11Å; K124-E127 PolarHBondContact O-N 2.82Å; K124-E127 VanDerWaalsContact O-N 3.13Å; M125-E127 VanDerWaalsContact C-N 3.33Å; E127-R285 IonicContact OE1-CZ 2.68Å; E127-R285 VanDerWaalsContact OE1-CZ 3.26Å; E127-R285 IonicContact OE1-NH1 2.87Å; E127-R285 PolarHBondContact OE1-NH1 2.98Å; E127-R285 IonicContact OE1-NH2 3.19Å; E127-R285 PolarHBondContact OE1-NH2 3.26Å; E127-R285 IonicContact OE2-CZ 3.89Å; E127-R285 IonicContact OE2-NE 3.29Å; E127-R285 IonicContact OE2-NH1 3.81Å; E127-R285 PolarHBondContact OE2-NH1 2.8Å
128L98Very high91.2Very high11 Ų1149 Ų496%0.05825%0.246CC..  trans-62148.6171-68.1-178000110.8G123 L126 F132 L288 V291 F297 W315G123-L128 PolarHBondContact O-N 3.35Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD2 4.35Å; L126-L128 HydrophobicContact CB-CG 3.91Å; L126-L128 HydrophobicContact CD1-CD1 4Å; L126-L128 HydrophobicContact CD1-CD2 4.45Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L128-F132 HydrophobicContact CB-CB 4.38Å; L128-F132 HydrophobicContact CB-CD2 4.39Å; L128-F132 HydrophobicContact CD1-CB 4.48Å; L128-L288 HydrophobicContact CD2-CD2 4.09Å; L128-V291 HydrophobicContact CD2-CG2 3.82Å; L128-F297 HydrophobicContact CD1-CD1 3.96Å; L128-F297 HydrophobicContact CD1-CE1 4.25Å; L128-F297 HydrophobicContact CD2-CD1 4.06Å; L128-F297 HydrophobicContact CD2-CE1 4.17Å; L128-F297 HydrophobicContact CD2-CG 4.48Å; L128-W315 HydrophobicContact CD1-CD2 3.65Å; L128-W315 HydrophobicContact CD1-CE3 4.03Å; L128-W315 HydrophobicContact CD1-CG 3.9Å; L128-W315 HydrophobicContact CD1-CZ2 4.34Å
129P96.1Very high90.7Very high35 Ų3554.5 Ų54.523%0.22727%0.272CS..  trans-50.4141.5172.5-27.130.8000112.6A131 F132 V291 E292P129-A131 PolarHBondContact O-N 3.46Å; P129-F132 HydrophobicContact CB-CD2 3.98Å; P129-F132 HydrophobicContact CB-CE2 4.38Å; P129-F132 HydrophobicContact CG-CD2 3.98Å; P129-F132 HydrophobicContact CG-CE2 4.04Å; P129-F132 WeakPolarHBondContact O-CB 3.34Å; P129-F132 PolarHBondContact O-N 2.95Å; P129-V291 HydrophobicContact CG-CG1 4.1Å; P129-E292 HydrophobicContact CG-CB 4.21Å
130E95.1Very high90.5Very high102 Ų10254.6 Ų54.648%0.47727%0.273SS..G310 helixtrans-53.5-29.4-179.8-172.664.5-155.300112.6F132 L133E130-F132 PolarHBondContact O-N 3.48Å; E130-F132 VanDerWaalsContact O-N 3.17Å; E130-L133 PolarHBondContact O-N 3.01Å
131A94.9Very high90.4Very high38 Ų3853.7 Ų53.731%0.31427%0.269SS..G310 helixtrans-60.9-21.7176.700000114.1P129 G140 K317P129-A131 PolarHBondContact O-N 3.46Å; A131-G140 VanDerWaalsContact O-CA 3.25Å; A131-G140 WeakPolarHBondContact O-CA 3.47Å; A131-G140 PolarHBondContact O-N 3.27Å; A131-K317 HydrophobicContact CB-CG 3.87Å
132F96.9Very high90.3Very high0 Ų048.7 Ų48.70%025%0.25CS..G310 helixtrans-86-14.6173.9-72.3-68.3000113.4L128 P129 E130 G141 V291 A294 W315 V316 K317L128-F132 HydrophobicContact CB-CB 4.38Å; L128-F132 HydrophobicContact CB-CD2 4.39Å; L128-F132 HydrophobicContact CD1-CB 4.48Å; P129-F132 HydrophobicContact CB-CD2 3.98Å; P129-F132 HydrophobicContact CB-CE2 4.38Å; P129-F132 HydrophobicContact CG-CD2 3.98Å; P129-F132 HydrophobicContact CG-CE2 4.04Å; P129-F132 WeakPolarHBondContact O-CB 3.34Å; P129-F132 PolarHBondContact O-N 2.95Å; E130-F132 PolarHBondContact O-N 3.48Å; E130-F132 VanDerWaalsContact O-N 3.17Å; F132-G141 CarbonylContact O-C 3.58Å; F132-G141 VanDerWaalsContact O-C 3.31Å; F132-G141 WeakPolarHBondContact O-CA 3.3Å; F132-G141 PolarHBondContact O-N 2.9Å; F132-V291 HydrophobicContact CE2-CG2 4.24Å; F132-A294 HydrophobicContact CZ-CB 4.18Å; F132-A294 WeakPolarHBondContact CZ-O 3.41Å; F132-W315 HydrophobicContact CB-CB 4.08Å; F132-W315 HydrophobicContact CB-CG 4.34Å; F132-W315 HydrophobicContact CD1-CB 3.6Å; F132-W315 HydrophobicContact CE1-CB 4.36Å; F132-W315 HydrophobicContact CG-CB 4.13Å; F132-W315 VanDerWaalsContact O-CD1 3.3Å; F132-V316 VanDerWaalsContact CD1-C 3.43Å; F132-K317 HydrophobicContact CD1-CB 4.31Å; F132-K317 HydrophobicContact CE1-CB 3.88Å; F132-K317 HydrophobicContact CZ-CB 4.24Å
133L95.3Very high90.3Very high4 Ų448.8 Ų48.82%0.02125%0.25CS..SBendtrans-85.5145.7-178.9-52.4-173.6000110K124 E130K124-L133 HydrophobicContact CG-CD1 3.87Å; E130-L133 PolarHBondContact O-N 3.01Å
134A90.5Very high90.3Very high19 Ų1948.8 Ų48.816%0.15725%0.25CS..  trans-64.1-45.5177.400000110.2T116 D120T116-A134 HydrophobicContact CG2-CB 3.51Å; D120-A134 PolarHBondContact OD1-N 3.13Å
135G73.4Confident90.4Very high39 Ų3943 Ų4340%0.40223%0.225SC..SBendtrans46.7-162.8162.900000116.6D120D120-G135 PolarHBondContact OD2-N 3.24Å
136R62Low90.3Very high253 Ų25342 Ų4296%0.95522%0.222SC*.SBendtrans-101.5-24.2168.7-71.8-173.1-180-174.90.2112.9
137T63.6Low90.4Very high119 Ų11943.1 Ų43.173%0.7323%0.23SC*.SBendtrans-116.9-8.3-173.450.60000113
138G66.5Low90.4Very high6 Ų637.6 Ų37.66%0.06221%0.205CC..  trans-76.9134.8-179.600000112.7R319G138-R319 PolarHBondContact O-NH2 3.25Å
139E86.1Confident90.4Very high118 Ų11839.3 Ų39.355%0.55122%0.218SC*.SBendtrans-85.1-15.1170.9-66.3-174.6172.600112.2R319E139-R319 WeakPolarHBondContact O-CB 3.45Å; E139-R319 WeakPolarHBondContact O-CG 3.43Å; E139-R319 PolarHBondContact O-N 3.42Å; E139-R319 PolarHBondContact O-NE 2.95Å; E139-R319 VanDerWaalsContact O-NE 3.09Å
140G94.4Very high90.6Very high2 Ų241.2 Ų41.22%0.02122%0.224CC..  trans-94-152.6-178.800000114.5A131 V316 K317A131-G140 VanDerWaalsContact O-CA 3.25Å; A131-G140 WeakPolarHBondContact O-CA 3.47Å; A131-G140 PolarHBondContact O-N 3.27Å; G140-V316 WeakPolarHBondContact CA-O 3.17Å; G140-K317 VanDerWaalsContact CA-O 3.3Å; G140-K317 WeakPolarHBondContact CA-O 3.36Å; G140-K317 PolarHBondContact N-O 3.13Å; G140-K317 VanDerWaalsContact N-O 3.17Å
141G96.2Very high90.7Very high2 Ų236.4 Ų36.42%0.02120%0.201CC..EExtended strand (participates in β ladder)trans160173.217800000111.6F132 W315 V316F132-G141 CarbonylContact O-C 3.58Å; F132-G141 VanDerWaalsContact O-C 3.31Å; F132-G141 WeakPolarHBondContact O-CA 3.3Å; F132-G141 PolarHBondContact O-N 2.9Å; G141-W315 WeakPolarHBondContact O-CA 3.45Å; G141-V316 PolarHBondContact N-O 3.08Å; G141-V316 VanDerWaalsContact N-O 3.14Å; G141-V316 PolarHBondContact O-N 3.41Å
142G97.8Very high90.9Very high1 Ų134.6 Ų34.61%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-113.3151.3174.800000113.3M314 Y346G142-M314 CarbonylContact C-O 3.6Å; G142-M314 WeakPolarHBondContact CA-O 3.46Å; G142-Y346 WeakPolarHBondContact O-CE1 3.22Å; G142-Y346 PolarHBondContact O-OH 2.88Å
143V98.5Very high91Very high1 Ų135.4 Ų35.41%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-136.4146.4174.459.40000110.1M314 Y346 W349V143-M314 HydrophobicContact CG1-CB 4.24Å; V143-M314 PolarHBondContact N-O 3.28Å; V143-M314 PolarHBondContact O-N 3.43Å; V143-Y346 HydrophobicContact CB-CD1 3.85Å; V143-Y346 HydrophobicContact CB-CE1 3.85Å; V143-Y346 HydrophobicContact CG2-CD1 3.53Å; V143-Y346 HydrophobicContact CG2-CE1 4Å; V143-Y346 HydrophobicContact CG2-CG 4.3Å; V143-W349 HydrophobicContact CB-CB 4.28Å; V143-W349 HydrophobicContact CB-CE3 4.07Å; V143-W349 HydrophobicContact CG1-CB 4.27Å; V143-W349 HydrophobicContact CG1-CE3 4.07Å; V143-W349 HydrophobicContact CG2-CB 4.12Å
144I98.8Very high91.2Very high0 Ų035.2 Ų35.20%019%0.19CC..EExtended strand (participates in β ladder)trans-92.5110.6174.5-53.9170000109.8E115 M119 S312 R355 R358 M362E115-I144 HydrophobicContact CG-CD1 3.79Å; E115-I144 HydrophobicContact CG-CG1 3.87Å; E115-I144 PolarHBondContact OE1-N 3.13Å; M119-I144 HydrophobicContact CG-CG1 4.32Å; M119-I144 HydrophobicContact SD-CG1 3.69Å; I144-S312 CarbonylContact C-O 3.51Å; I144-S312 WeakPolarHBondContact CA-O 3.01Å; I144-R355 PolarHBondContact O-NH2 2.92Å; I144-R358 HydrophobicContact CB-CB 4.39Å; I144-R358 HydrophobicContact CD1-CB 4.05Å; I144-R358 HydrophobicContact CG2-CB 3.93Å; I144-R358 VanDerWaalsContact CG2-CD 3.49Å; I144-R358 HydrophobicContact CG2-CG 4.37Å; I144-R358 PolarHBondContact O-NH1 2.88Å; I144-M362 HydrophobicContact CD1-SD 3.42Å; I144-M362 WeakPolarHBondContact CD1-SD 3.09Å; I144-M362 HydrophobicContact CG1-SD 4.01Å
145Q98.6Very high91.6Very high2 Ų234.3 Ų34.31%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-87.2169.9171.6-54.7-63.5-5.800111.7E150 A151 S312 M314 W349Q145-E150 HydrophobicContact CB-CB 4.45Å; Q145-A151 HydrophobicContact CG-CB 4.15Å; Q145-S312 PolarHBondContact N-O 3.3Å; Q145-S312 WeakPolarHBondContact O-CB 3.15Å; Q145-S312 PolarHBondContact O-N 2.89Å; Q145-M314 HydrophobicContact CG-CB 4.08Å; Q145-M314 HydrophobicContact CG-SD 4.24Å; Q145-W349 PolarHBondContact NE2-O 2.91Å
146G98.3Very high92.8Very high5 Ų532.4 Ų32.45%0.05216%0.163CC..SBendtrans-74-35173.500000112.8E150G146-E150 WeakPolarHBondContact CA-OE2 3.42Å; G146-E150 PolarHBondContact N-OE2 3Å
147S98.8Very high94.6Very high25 Ų2521.5 Ų21.518%0.17512%0.123CC..  trans-151.1162.7-179.6660000113.3S149 E150 A151 S312S147-S149 PolarHBondContact O-N 2.95Å; S147-E150 PolarHBondContact N-OE2 2.89Å; S147-E150 PolarHBondContact O-N 3.32Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.99Å; S147-E150 VanDerWaalsContact OG-N 3.12Å; S147-A151 PolarHBondContact O-N 3.42Å; S147-S312 VanDerWaalsContact C-CB 3.41Å; S147-S312 PolarHBondContact O-OG 3Å
148A98.8Very high96.2Very high8 Ų815.8 Ų15.87%0.0669%0.089CC..Hα-helixtrans-58.9-37168.700000111.4E150 A151 T152 A273 N298 N300 S312A148-E150 VanDerWaalsContact C-N 3.33Å; A148-E150 PolarHBondContact O-N 3.31Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 2.89Å; A148-A151 VanDerWaalsContact O-N 3.11Å; A148-T152 PolarHBondContact O-N 3.31Å; A148-T152 PolarHBondContact O-OG1 2.84Å; A148-A273 HydrophobicContact CB-CB 3.87Å; A148-N298 WeakPolarHBondContact CB-ND2 3.01Å; A148-N300 WeakPolarHBondContact CB-OD1 3.37Å; A148-S312 PolarHBondContact N-OG 2.97Å
149S98.8Very high97.8Very high47 Ų4715.6 Ų15.633%0.3299%0.086SC..Hα-helixtrans-58.7-43.7175.6-51.30000112.4S147 L153 S194S147-S149 PolarHBondContact O-N 2.95Å; S149-L153 WeakPolarHBondContact O-CB 3.41Å; S149-L153 PolarHBondContact O-N 3Å; S149-S194 VanDerWaalsContact OG-CB 3.25Å; S149-S194 WeakPolarHBondContact OG-CB 3.41Å
150E98.6Very high98.3Very high75 Ų7512.4 Ų12.435%0.357%0.069SC..Hα-helixtrans-64.8-42.7173.9-74167-159.300111.2Q145 G146 S147 A148 T152 L153 V154Q145-E150 HydrophobicContact CB-CB 4.45Å; G146-E150 WeakPolarHBondContact CA-OE2 3.42Å; G146-E150 PolarHBondContact N-OE2 3Å; S147-E150 PolarHBondContact N-OE2 2.89Å; S147-E150 PolarHBondContact O-N 3.32Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.99Å; S147-E150 VanDerWaalsContact OG-N 3.12Å; A148-E150 VanDerWaalsContact C-N 3.33Å; A148-E150 PolarHBondContact O-N 3.31Å; E150-T152 PolarHBondContact O-N 3.08Å; E150-L153 PolarHBondContact O-N 2.77Å; E150-V154 WeakPolarHBondContact O-CB 3.32Å; E150-V154 VanDerWaalsContact O-CG2 3.25Å; E150-V154 WeakPolarHBondContact O-CG2 3.38Å; E150-V154 PolarHBondContact O-N 3.18Å
151A98.8Very high98.5Very high0 Ų013.6 Ų13.60%08%0.076CC..Hα-helixtrans-60.4-45.5178.300000112.3Q145 S147 A148 V154 A155 N298 M314Q145-A151 HydrophobicContact CG-CB 4.15Å; S147-A151 PolarHBondContact O-N 3.42Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 2.89Å; A148-A151 VanDerWaalsContact O-N 3.11Å; A151-V154 PolarHBondContact O-N 3.22Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.23Å; A151-N298 HydrophobicContact CB-CB 3.8Å; A151-M314 HydrophobicContact CB-CB 4Å; A151-M314 HydrophobicContact CB-CG 4.09Å; A151-M314 HydrophobicContact CB-SD 3.75Å; A151-M314 WeakPolarHBondContact O-CE 3.33Å
152T98.9Very high98.6Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-62.9-42.7175.4-56.80000111.9A148 E150 A155 L156 V195 A198 V240 H269A148-T152 PolarHBondContact O-N 3.31Å; A148-T152 PolarHBondContact O-OG1 2.84Å; E150-T152 PolarHBondContact O-N 3.08Å; T152-A155 PolarHBondContact O-N 2.92Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.02Å; T152-V195 HydrophobicContact CG2-CG2 4.29Å; T152-A198 HydrophobicContact CG2-CB 4.12Å; T152-V240 HydrophobicContact CG2-CG2 4.27Å; T152-H269 WeakPolarHBondContact CA-NE2 3.39Å; T152-H269 PolarHBondContact OG1-NE2 3.22Å; T152-H269 VanDerWaalsContact OG1-NE2 3.1Å
153L98.9Very high98.6Very high17 Ų1716.6 Ų16.69%0.0899%0.09CC..Hα-helixtrans-63.9-44.4176176.660.3000111.6S149 E150 A155 L156 L157 A198 I201 I351S149-L153 WeakPolarHBondContact O-CB 3.41Å; S149-L153 PolarHBondContact O-N 3Å; E150-L153 PolarHBondContact O-N 2.77Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.5Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CD2 4.31Å; L153-L157 HydrophobicContact CD1-CG 3.86Å; L153-L157 HydrophobicContact CG-CD1 3.93Å; L153-L157 HydrophobicContact CG-CG 4.29Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.09Å; L153-A198 HydrophobicContact CB-CB 4.19Å; L153-A198 HydrophobicContact CD1-CB 4.3Å; L153-I201 HydrophobicContact CD1-CB 4.11Å; L153-I201 HydrophobicContact CD1-CG2 3.94Å; L153-I201 HydrophobicContact CD2-CB 4.37Å; L153-I201 HydrophobicContact CD2-CD1 4.22Å; L153-I201 HydrophobicContact CD2-CG2 3.82Å; L153-I351 HydrophobicContact CD2-CD1 3.58Å; L153-I351 HydrophobicContact CG-CD1 4.04Å
154V98.8Very high98.6Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-58.5-45.3176.3166.50000110.5E150 A151 L157 A158 M314 L322 F326 I351E150-V154 WeakPolarHBondContact O-CB 3.32Å; E150-V154 VanDerWaalsContact O-CG2 3.25Å; E150-V154 WeakPolarHBondContact O-CG2 3.38Å; E150-V154 PolarHBondContact O-N 3.18Å; A151-V154 PolarHBondContact O-N 3.22Å; V154-L157 PolarHBondContact O-N 3.07Å; V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 3.41Å; V154-M314 HydrophobicContact CB-CE 4.35Å; V154-M314 HydrophobicContact CB-SD 4.27Å; V154-M314 HydrophobicContact CG1-CE 3.94Å; V154-M314 HydrophobicContact CG1-SD 4.03Å; V154-L322 HydrophobicContact CG1-CD2 3.64Å; V154-F326 HydrophobicContact CG1-CE2 3.86Å; V154-F326 HydrophobicContact CG1-CZ 4.28Å; V154-F326 HydrophobicContact CG2-CZ 4.43Å; V154-I351 HydrophobicContact CG2-CD1 4.19Å; V154-I351 HydrophobicContact CG2-CG1 3.92Å
155A98.9Very high98.5Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-61.7-46.1176.200000112.2A151 T152 L153 L157 A158 A159 F238 H269 S296 M314A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.23Å; T152-A155 PolarHBondContact O-N 2.92Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.5Å; A155-L157 PolarHBondContact O-N 2.73Å; A155-A158 PolarHBondContact O-N 3.09Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.09Å; A155-F238 HydrophobicContact CB-CE2 3.91Å; A155-F238 HydrophobicContact CB-CZ 4.05Å; A155-H269 HydrophobicContact CB-CB 4.32Å; A155-S296 WeakPolarHBondContact CB-OG 3.02Å; A155-M314 HydrophobicContact CB-CE 3.84Å
156L98.9Very high98.4Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-61.3-46.3178.6-176.9153.7000111.6T152 L153 A158 A159 R160 A198 V204 F237 F238T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.02Å; L153-L156 PolarHBondContact O-N 3.45Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.26Å; L156-A159 PolarHBondContact O-N 2.89Å; L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 3.12Å; L156-A198 HydrophobicContact CD1-CB 4.11Å; L156-V204 HydrophobicContact CD1-CG2 4.01Å; L156-V204 HydrophobicContact CD2-CG2 4.1Å; L156-V204 HydrophobicContact CG-CG2 4.45Å; L156-F237 HydrophobicContact CG-CZ 4.42Å; L156-F238 HydrophobicContact CB-CD1 4.35Å; L156-F238 HydrophobicContact CB-CE1 3.96Å; L156-F238 HydrophobicContact CB-CE2 4.3Å; L156-F238 HydrophobicContact CB-CZ 3.95Å; L156-F238 HydrophobicContact CD1-CD1 4.21Å; L156-F238 HydrophobicContact CD1-CE1 4.19Å; L156-F238 HydrophobicContact CG-CD1 4.31Å; L156-F238 HydrophobicContact CG-CE1 4.35Å
157L98.8Very high98.4Very high23 Ų2330.8 Ų30.812%0.1215%0.15CC..Hα-helixtrans-65.1-35.7179.2-67.9175.6000112L153 V154 A155 R160 T161 F326L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CD2 4.31Å; L153-L157 HydrophobicContact CD1-CG 3.86Å; L153-L157 HydrophobicContact CG-CD1 3.93Å; L153-L157 HydrophobicContact CG-CG 4.29Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.09Å; V154-L157 PolarHBondContact O-N 3.07Å; A155-L157 PolarHBondContact O-N 2.73Å; L157-R160 VanDerWaalsContact CD2-CZ 3.46Å; L157-T161 WeakPolarHBondContact O-CB 3.3Å; L157-T161 PolarHBondContact O-N 3.34Å; L157-T161 PolarHBondContact O-OG1 3.15Å; L157-F326 HydrophobicContact CB-CE1 4.38Å; L157-F326 HydrophobicContact CB-CZ 3.8Å; L157-F326 HydrophobicContact CD1-CE1 4.03Å; L157-F326 HydrophobicContact CD1-CZ 4.02Å
158A98.7Very high98.3Very high0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-66.1-51.217400000111.6V154 A155 L156 R160 T161 K162 W267 L322 A325V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 3.41Å; A155-A158 PolarHBondContact O-N 3.09Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.26Å; A158-R160 VanDerWaalsContact C-N 3.34Å; A158-R160 PolarHBondContact O-N 3.2Å; A158-T161 PolarHBondContact O-N 3.48Å; A158-K162 WeakPolarHBondContact O-CB 3.49Å; A158-K162 PolarHBondContact O-N 3.42Å; A158-W267 HydrophobicContact CB-CH2 4.11Å; A158-W267 HydrophobicContact CB-CZ3 4.42Å; A158-L322 HydrophobicContact CB-CD2 3.71Å; A158-A325 HydrophobicContact CB-CB 4.32Å
159A98.8Very high98.2Very high1 Ų136.2 Ų36.21%0.00819%0.186CC..Hα-helixtrans-56.6-47177.100000112.2A155 L156 T161 K162 V163 F237 F238 W267A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.09Å; L156-A159 PolarHBondContact O-N 2.89Å; A159-T161 PolarHBondContact O-N 3.22Å; A159-K162 WeakPolarHBondContact O-CB 3.39Å; A159-K162 PolarHBondContact O-N 3.28Å; A159-V163 PolarHBondContact O-N 3.48Å; A159-F237 HydrophobicContact CB-CD2 4.01Å; A159-F237 HydrophobicContact CB-CE2 4.18Å; A159-F238 HydrophobicContact CB-CB 4.46Å; A159-F238 HydrophobicContact CB-CD2 3.63Å; A159-F238 HydrophobicContact CB-CE2 4.33Å; A159-F238 HydrophobicContact CB-CG 4.46Å; A159-W267 HydrophobicContact CB-CB 3.55Å; A159-W267 HydrophobicContact CB-CD2 3.6Å; A159-W267 HydrophobicContact CB-CE3 3.66Å; A159-W267 HydrophobicContact CB-CG 3.57Å
160R98.4Very high98.1Very high52 Ų5237.7 Ų37.720%0.19620%0.201CC..Hα-helixtrans-57.6-49.9176.7-174.3-169.675171.60.1111.4L156 L157 A158 K162 V163 I164 M180 L183 G202 V204 F237L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 3.12Å; L157-R160 VanDerWaalsContact CD2-CZ 3.46Å; A158-R160 VanDerWaalsContact C-N 3.34Å; A158-R160 PolarHBondContact O-N 3.2Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.15Å; R160-V163 PolarHBondContact O-N 3.29Å; R160-I164 HydrophobicContact CG-CD1 3.93Å; R160-I164 WeakPolarHBondContact O-CB 3.49Å; R160-I164 WeakPolarHBondContact O-CD1 3.49Å; R160-I164 VanDerWaalsContact O-CG1 3.24Å; R160-I164 WeakPolarHBondContact O-CG1 3.49Å; R160-I164 PolarHBondContact O-N 3.48Å; R160-M180 VanDerWaalsContact CD-SD 3.53Å; R160-M180 HydrophobicContact CG-SD 3.75Å; R160-L183 HydrophobicContact CG-CD1 3.64Å; R160-G202 PolarHBondContact NH1-O 3.31Å; R160-V204 HydrophobicContact CG-CG1 4.31Å; R160-F237 HydrophobicContact CB-CD2 4.4Å; R160-F237 HydrophobicContact CB-CE2 3.8Å; R160-F237 HydrophobicContact CB-CZ 4.45Å
161T98.2Very high97.9Very high26 Ų2635.9 Ų35.916%0.1620%0.196CC..Hα-helixtrans-65-39.8-179.3-55.50000111.7L157 A158 A159 R165 A325L157-T161 WeakPolarHBondContact O-CB 3.3Å; L157-T161 PolarHBondContact O-N 3.34Å; L157-T161 PolarHBondContact O-OG1 3.15Å; A158-T161 PolarHBondContact O-N 3.48Å; A159-T161 PolarHBondContact O-N 3.22Å; T161-R165 WeakPolarHBondContact O-CG 3.35Å; T161-R165 PolarHBondContact O-N 2.98Å; T161-R165 VanDerWaalsContact O-N 3.08Å; T161-A325 HydrophobicContact CG2-CB 4.27Å
162K97.9Very high97.7Very high50 Ų5041.1 Ų41.122%0.21723%0.23CC..Hα-helixtrans-58.9-52.3176.2-178.8-179.6-176.2173.20111.4A158 A159 R160 R165 Q166 W267 D321A158-K162 WeakPolarHBondContact O-CB 3.49Å; A158-K162 PolarHBondContact O-N 3.42Å; A159-K162 WeakPolarHBondContact O-CB 3.39Å; A159-K162 PolarHBondContact O-N 3.28Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.15Å; K162-R165 PolarHBondContact O-N 3.47Å; K162-Q166 WeakPolarHBondContact O-CG 3.17Å; K162-Q166 PolarHBondContact O-N 2.97Å; K162-W267 HydrophobicContact CD-CE3 4.12Å; K162-W267 HydrophobicContact CD-CZ3 4.02Å; K162-D321 WeakPolarHBondContact CD-OD1 3.28Å; K162-D321 WeakPolarHBondContact CE-OD1 3.37Å; K162-D321 IonicContact NZ-OD1 3.8Å; K162-D321 PolarHBondContact NZ-OD1 2.74Å; K162-D321 IonicContact NZ-OD2 2.81Å; K162-D321 PolarHBondContact NZ-OD2 2.95Å
163V98.1Very high97.5Very high17 Ų1747.9 Ų47.910%0.10326%0.262CS..Hα-helixtrans-66.2-40-179.1168.20000112.1A159 R160 R165 Q166 L167 L183 I235 F237A159-V163 PolarHBondContact O-N 3.48Å; R160-V163 PolarHBondContact O-N 3.29Å; V163-R165 VanDerWaalsContact C-N 3.34Å; V163-R165 PolarHBondContact O-N 2.88Å; V163-Q166 PolarHBondContact O-N 3.47Å; V163-L167 HydrophobicContact CG1-CD1 3.74Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.19Å; V163-L183 HydrophobicContact CG1-CD2 3.89Å; V163-I235 HydrophobicContact CG1-CG2 4.13Å; V163-F237 HydrophobicContact CB-CB 4.35Å; V163-F237 HydrophobicContact CG1-CB 4.34Å; V163-F237 HydrophobicContact CG2-CB 3.96Å
164I97.9Very high97.3Very high9 Ų949.9 Ų49.95%0.04627%0.272CS..Hα-helixtrans-56.3-50.1174.2-72.1162.8000110.7R160 Q166 L167 Q168 Q176 I179 M180 L183R160-I164 HydrophobicContact CG-CD1 3.93Å; R160-I164 WeakPolarHBondContact O-CB 3.49Å; R160-I164 WeakPolarHBondContact O-CD1 3.49Å; R160-I164 VanDerWaalsContact O-CG1 3.24Å; R160-I164 WeakPolarHBondContact O-CG1 3.49Å; R160-I164 PolarHBondContact O-N 3.48Å; I164-Q166 PolarHBondContact O-N 2.95Å; I164-L167 PolarHBondContact O-N 3.35Å; I164-Q168 HydrophobicContact CG2-CG 4.42Å; I164-Q168 WeakPolarHBondContact O-CB 3.45Å; I164-Q168 VanDerWaalsContact O-CG 3.3Å; I164-Q168 WeakPolarHBondContact O-CG 3.5Å; I164-Q168 PolarHBondContact O-N 3.38Å; I164-Q176 HydrophobicContact CD1-CG 4.14Å; I164-Q176 HydrophobicContact CG2-CB 4.49Å; I164-Q176 HydrophobicContact CG2-CG 4.08Å; I164-I179 HydrophobicContact CG1-CB 4.47Å; I164-I179 HydrophobicContact CG1-CG2 3.81Å; I164-I179 HydrophobicContact CG2-CD1 4.4Å; I164-M180 HydrophobicContact CD1-CG 4.06Å; I164-M180 HydrophobicContact CD1-SD 3.7Å; I164-L183 HydrophobicContact CD1-CD1 4.5Å; I164-L183 HydrophobicContact CG1-CD1 4.36Å
165R96.7Very high97.2Very high137 Ų13753.9 Ų53.952%0.51730%0.297SS..Hα-helixtrans-64.4-39.8-179.1-73.6-179.7178.3167.56.9112.8T161 K162 V163 Q168 A169 G324T161-R165 WeakPolarHBondContact O-CG 3.35Å; T161-R165 PolarHBondContact O-N 2.98Å; T161-R165 VanDerWaalsContact O-N 3.08Å; K162-R165 PolarHBondContact O-N 3.47Å; V163-R165 VanDerWaalsContact C-N 3.34Å; V163-R165 PolarHBondContact O-N 2.88Å; R165-Q168 PolarHBondContact O-N 2.93Å; R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 3.22Å; R165-A169 PolarHBondContact O-N 2.95Å; R165-G324 VanDerWaalsContact NH1-C 3.35Å; R165-G324 PolarHBondContact NH1-O 3.26Å; R165-G324 PolarHBondContact NH2-O 3.09Å
166Q96.8Very high97.1Very high109 Ų10959.1 Ų59.151%0.50932%0.321SS..Hα-helixtrans-61.3-46.2176.9-75.3173.8-24.300111.4K162 V163 I164 A169 A170K162-Q166 WeakPolarHBondContact O-CG 3.17Å; K162-Q166 PolarHBondContact O-N 2.97Å; V163-Q166 PolarHBondContact O-N 3.47Å; I164-Q166 PolarHBondContact O-N 2.95Å; Q166-A169 PolarHBondContact O-N 2.68Å; Q166-A170 PolarHBondContact O-N 2.82Å; Q166-A170 VanDerWaalsContact O-N 3.1Å
167L97.3Very high97Very high50 Ų5062.6 Ų62.626%0.26235%0.35SS..Hα-helixtrans-68.1-39.6179.3-69.1170.3000112.3V163 I164 A169 A170 S171 I179 I235V163-L167 HydrophobicContact CG1-CD1 3.74Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.19Å; I164-L167 PolarHBondContact O-N 3.35Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-A170 PolarHBondContact O-N 2.87Å; L167-S171 PolarHBondContact O-N 2.89Å; L167-I179 HydrophobicContact CB-CD1 3.88Å; L167-I179 HydrophobicContact CB-CG1 4.43Å; L167-I179 HydrophobicContact CD1-CG1 4.39Å; L167-I179 HydrophobicContact CD1-CG2 3.66Å; L167-I235 HydrophobicContact CD1-CD1 3.71Å; L167-I235 HydrophobicContact CD1-CG2 4.34Å
168Q97.3Very high96.9Very high64 Ų6463.1 Ų63.130%0.29936%0.358SS..Hα-helixtrans-67.8-33.5175.4-70.2-176.2-50.300112.8I164 R165 A170 S171 P172 L174 I179I164-Q168 HydrophobicContact CG2-CG 4.42Å; I164-Q168 WeakPolarHBondContact O-CB 3.45Å; I164-Q168 VanDerWaalsContact O-CG 3.3Å; I164-Q168 WeakPolarHBondContact O-CG 3.5Å; I164-Q168 PolarHBondContact O-N 3.38Å; R165-Q168 PolarHBondContact O-N 2.93Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-S171 CarbonylContact O-C 3.6Å; Q168-S171 VanDerWaalsContact O-C 3.28Å; Q168-P172 VanDerWaalsContact O-CA 3.23Å; Q168-P172 WeakPolarHBondContact O-CA 3.33Å; Q168-P172 VanDerWaalsContact O-N 3.14Å; Q168-L174 PolarHBondContact NE2-O 2.99Å; Q168-I179 HydrophobicContact CG-CD1 3.57Å
169A96.6Very high96.8Very high84 Ų8463.2 Ų63.269%0.69436%0.358SS*.Hα-helixtrans-67.6-35.2174.100000112R165 Q166 L167R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 3.22Å; R165-A169 PolarHBondContact O-N 2.95Å; Q166-A169 PolarHBondContact O-N 2.68Å; L167-A169 VanDerWaalsContact C-N 3.34Å
170A96.5Very high96.8Very high78 Ų7865 Ų6565%0.64537%0.367SS*.Hα-helixtrans-78.1-30.7175.700000113.2Q166 L167 Q168Q166-A170 PolarHBondContact O-N 2.82Å; Q166-A170 VanDerWaalsContact O-N 3.1Å; L167-A170 PolarHBondContact O-N 2.87Å; Q168-A170 VanDerWaalsContact C-N 3.33Å
171S95.9Very high96.7Very high37 Ų3769 Ų6926%0.25939%0.388SS..  trans-143.683-175.2-61.50000110.4L167 Q168 E173 L174L167-S171 PolarHBondContact O-N 2.89Å; Q168-S171 CarbonylContact O-C 3.6Å; Q168-S171 VanDerWaalsContact O-C 3.28Å; S171-E173 WeakPolarHBondContact CA-OE2 3.34Å; S171-E173 WeakPolarHBondContact CB-OE1 3.45Å; S171-E173 PolarHBondContact O-N 3.42Å; S171-E173 VanDerWaalsContact O-N 3.09Å; S171-L174 WeakPolarHBondContact O-CB 3.34Å; S171-L174 PolarHBondContact O-N 2.93Å
172P93.4Very high96.7Very high109 Ų10972.4 Ų72.471%0.70840%0.4SS*.THydrogen-bonded Turntrans-60.3-19.9-173.7-26.236.1000115.6Q168 L174Q168-P172 VanDerWaalsContact O-CA 3.23Å; Q168-P172 WeakPolarHBondContact O-CA 3.33Å; Q168-P172 VanDerWaalsContact O-N 3.14Å; P172-L174 VanDerWaalsContact C-N 3.31Å
173E95.3Very high96.8Very high143 Ų14370 Ų7067%0.66839%0.39SS*.THydrogen-bonded Turntrans-74.5-18.3175.672.8-74.7178.300113.6S171 T175S171-E173 WeakPolarHBondContact CA-OE2 3.34Å; S171-E173 WeakPolarHBondContact CB-OE1 3.45Å; S171-E173 PolarHBondContact O-N 3.42Å; S171-E173 VanDerWaalsContact O-N 3.09Å; E173-T175 PolarHBondContact O-N 3Å
174L94.9Very high96.8Very high58 Ų5869.2 Ų69.230%0.30439%0.385SS..  trans-71.8114.5178-69.2-179.8000110.6Q168 S171 P172 I179Q168-L174 PolarHBondContact NE2-O 2.99Å; S171-L174 WeakPolarHBondContact O-CB 3.34Å; S171-L174 PolarHBondContact O-N 2.93Å; P172-L174 VanDerWaalsContact C-N 3.31Å; L174-I179 HydrophobicContact CB-CD1 3.99Å; L174-I179 HydrophobicContact CB-CG1 4.1Å; L174-I179 HydrophobicContact CD1-CG1 4.39Å
175T96.7Very high96.8Very high85 Ų8568.8 Ų68.852%0.52138%0.383SS..  trans-69.4149.6172.569.90000110.4E173 A177 A178 I179E173-T175 PolarHBondContact O-N 3Å; T175-A177 PolarHBondContact O-N 3.19Å; T175-A178 PolarHBondContact O-N 2.92Å; T175-A178 VanDerWaalsContact O-N 3.15Å; T175-A178 WeakPolarHBondContact OG1-CB 3.19Å; T175-A178 PolarHBondContact OG1-N 2.94Å; T175-I179 PolarHBondContact O-N 3.46Å; T175-I179 VanDerWaalsContact O-N 3.15Å
176Q95.8Very high97Very high109 Ų10962.3 Ų62.351%0.50936%0.358SS..Hα-helixtrans-55.4-38.5174.7179.7177.1-36.100111.8I164 I179 M180I164-Q176 HydrophobicContact CD1-CG 4.14Å; I164-Q176 HydrophobicContact CG2-CB 4.49Å; I164-Q176 HydrophobicContact CG2-CG 4.08Å; Q176-I179 PolarHBondContact O-N 3.46Å; Q176-M180 HydrophobicContact CG-CG 4.21Å; Q176-M180 WeakPolarHBondContact O-CB 3.41Å; Q176-M180 VanDerWaalsContact O-CG 3.22Å; Q176-M180 WeakPolarHBondContact O-CG 3.19Å; Q176-M180 PolarHBondContact O-N 3.17Å
177A96.5Very high97Very high73 Ų7357.3 Ų57.360%0.60334%0.335SS*.Hα-helixtrans-62.2-45.2178.200000112.2T175 I179 M180 E181T175-A177 PolarHBondContact O-N 3.19Å; A177-I179 VanDerWaalsContact C-N 3.31Å; A177-I179 PolarHBondContact O-N 3.31Å; A177-M180 PolarHBondContact O-N 3.49Å; A177-E181 PolarHBondContact O-N 2.94Å
178A97.1Very high97.1Very high34 Ų3455 Ų5528%0.28132%0.324SS..Hα-helixtrans-64.6-34.8178.200000112.6T175T175-A178 PolarHBondContact O-N 2.92Å; T175-A178 VanDerWaalsContact O-N 3.15Å; T175-A178 WeakPolarHBondContact OG1-CB 3.19Å; T175-A178 PolarHBondContact OG1-N 2.94Å
179I97.8Very high97.1Very high3 Ų355.2 Ų55.22%0.01533%0.327CS..Hα-helixtrans-69.2-50.6174.1-64165000110.2I164 L167 Q168 L174 T175 Q176 A177 E181 K182 L183I164-I179 HydrophobicContact CG1-CB 4.47Å; I164-I179 HydrophobicContact CG1-CG2 3.81Å; I164-I179 HydrophobicContact CG2-CD1 4.4Å; L167-I179 HydrophobicContact CB-CD1 3.88Å; L167-I179 HydrophobicContact CB-CG1 4.43Å; L167-I179 HydrophobicContact CD1-CG1 4.39Å; L167-I179 HydrophobicContact CD1-CG2 3.66Å; Q168-I179 HydrophobicContact CG-CD1 3.57Å; L174-I179 HydrophobicContact CB-CD1 3.99Å; L174-I179 HydrophobicContact CB-CG1 4.1Å; L174-I179 HydrophobicContact CD1-CG1 4.39Å; T175-I179 PolarHBondContact O-N 3.46Å; T175-I179 VanDerWaalsContact O-N 3.15Å; Q176-I179 PolarHBondContact O-N 3.46Å; A177-I179 VanDerWaalsContact C-N 3.31Å; A177-I179 PolarHBondContact O-N 3.31Å; I179-E181 PolarHBondContact O-N 3.43Å; I179-K182 PolarHBondContact O-N 3.1Å; I179-L183 HydrophobicContact CG2-CD2 4.15Å; I179-L183 HydrophobicContact CG2-CG 4.29Å; I179-L183 PolarHBondContact O-N 2.97Å
180M97.3Very high97.2Very high37 Ų3752 Ų5218%0.18230%0.297CS..Hα-helixtrans-54.5-38.7179.8-79.8-69.8-62.300112.5R160 I164 Q176 A177 K182 L183 G203 V204R160-M180 VanDerWaalsContact CD-SD 3.53Å; R160-M180 HydrophobicContact CG-SD 3.75Å; I164-M180 HydrophobicContact CD1-CG 4.06Å; I164-M180 HydrophobicContact CD1-SD 3.7Å; Q176-M180 HydrophobicContact CG-CG 4.21Å; Q176-M180 WeakPolarHBondContact O-CB 3.41Å; Q176-M180 VanDerWaalsContact O-CG 3.22Å; Q176-M180 WeakPolarHBondContact O-CG 3.19Å; Q176-M180 PolarHBondContact O-N 3.17Å; A177-M180 PolarHBondContact O-N 3.49Å; M180-K182 PolarHBondContact O-N 3.34Å; M180-L183 PolarHBondContact O-N 3.34Å; M180-L183 HydrophobicContact SD-CD1 3.98Å; M180-G203 VanDerWaalsContact CE-O 3.28Å; M180-G203 WeakPolarHBondContact CE-O 3.38Å; M180-V204 HydrophobicContact CE-CG1 4.24Å
181E97.3Very high97.2Very high136 Ų13649.4 Ų49.464%0.63628%0.276SS*.Hα-helixtrans-59.8-27.6176-172.8179-172.100112.7A177 I179 K205A177-E181 PolarHBondContact O-N 2.94Å; I179-E181 PolarHBondContact O-N 3.43Å; E181-K205 PolarHBondContact O-NZ 2.82Å
182K98.2Very high97.4Very high99 Ų9950.5 Ų50.543%0.4328%0.277SS..Hα-helixtrans-98-13.4-177-63.8-178.9177.1-172.80114.1I179 M180 V184 L234 I235I179-K182 PolarHBondContact O-N 3.1Å; M180-K182 PolarHBondContact O-N 3.34Å; K182-V184 PolarHBondContact O-N 3.16Å; K182-L234 WeakPolarHBondContact O-CA 3.35Å; K182-I235 HydrophobicContact CB-CD1 3.82Å; K182-I235 HydrophobicContact CB-CG1 3.92Å; K182-I235 HydrophobicContact CD-CD1 4.32Å; K182-I235 PolarHBondContact O-N 3.24Å
183L98.7Very high97.6Very high0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-66.7132.5-177.6-67.1-173000112R160 V163 I164 I179 M180 V204 K205 I235 F237R160-L183 HydrophobicContact CG-CD1 3.64Å; V163-L183 HydrophobicContact CG1-CD2 3.89Å; I164-L183 HydrophobicContact CD1-CD1 4.5Å; I164-L183 HydrophobicContact CG1-CD1 4.36Å; I179-L183 HydrophobicContact CG2-CD2 4.15Å; I179-L183 HydrophobicContact CG2-CG 4.29Å; I179-L183 PolarHBondContact O-N 2.97Å; M180-L183 PolarHBondContact O-N 3.34Å; M180-L183 HydrophobicContact SD-CD1 3.98Å; L183-V204 HydrophobicContact CB-CG1 4.43Å; L183-K205 WeakPolarHBondContact O-CB 3.4Å; L183-K205 PolarHBondContact O-N 3.34Å; L183-I235 WeakPolarHBondContact CA-O 3.39Å; L183-I235 HydrophobicContact CD2-CB 4Å; L183-I235 HydrophobicContact CD2-CG2 3.83Å; L183-F237 HydrophobicContact CB-CD1 3.72Å; L183-F237 HydrophobicContact CB-CE1 3.77Å; L183-F237 HydrophobicContact CD1-CD1 4.41Å; L183-F237 HydrophobicContact CD1-CE1 4.48Å; L183-F237 HydrophobicContact CD2-CB 4.2Å; L183-F237 HydrophobicContact CD2-CD1 4.09Å; L183-F237 HydrophobicContact CD2-CG 4.19Å; L183-F237 HydrophobicContact CG-CD1 4.27Å
184V98.9Very high97.7Very high0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-133130.7174.857.80000111.4K182 Y186 K205 K207 D229 L234 I235 P236 F237K182-V184 PolarHBondContact O-N 3.16Å; V184-Y186 HydrophobicContact CG1-CE2 4.04Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.45Å; V184-Y186 HydrophobicContact CG2-CE1 4.08Å; V184-Y186 HydrophobicContact CG2-CE2 4.27Å; V184-K205 WeakPolarHBondContact CA-O 3.47Å; V184-K205 HydrophobicContact CB-CB 4.25Å; V184-K205 HydrophobicContact CG2-CB 4.24Å; V184-K207 HydrophobicContact CG2-CD 4.22Å; V184-K207 HydrophobicContact CG2-CG 3.98Å; V184-D229 HydrophobicContact CG1-CB 4.32Å; V184-L234 HydrophobicContact CB-CD1 4.49Å; V184-L234 HydrophobicContact CG1-CB 3.9Å; V184-L234 HydrophobicContact CG1-CD1 4.39Å; V184-I235 PolarHBondContact N-O 2.74Å; V184-P236 HydrophobicContact CG1-CG 4.47Å; V184-P236 WeakPolarHBondContact O-CA 3.42Å; V184-F237 VanDerWaalsContact O-CD1 3.22Å; V184-F237 WeakPolarHBondContact O-CD1 3.24Å; V184-F237 PolarHBondContact O-N 3.43Å; V184-F237 VanDerWaalsContact O-N 3.14Å
185A98.9Very high97.9Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2158.3174.300000110.8K205 L206 K207 F237 F238A185-K205 PolarHBondContact N-O 3.5Å; A185-L206 HydrophobicContact CB-CD1 3.8Å; A185-L206 CarbonylContact O-C 3.57Å; A185-L206 WeakPolarHBondContact O-CA 3.26Å; A185-K207 PolarHBondContact O-N 2.65Å; A185-F237 HydrophobicContact CB-CE1 3.88Å; A185-F237 HydrophobicContact CB-CZ 4.1Å; A185-F238 CarbonylContact C-O 3.48Å; A185-F238 WeakPolarHBondContact CA-O 3.5Å; A185-F238 HydrophobicContact CB-CB 4Å; A185-F238 HydrophobicContact CB-CD1 4.14Å
186Y98.9Very high98Very high0 Ų040.9 Ų40.90%022%0.222CC..EExtended strand (participates in β ladder)trans-132.6148.6-176.4-51.6-92000112V184 K207 I209 L222 A225 L226 D229 P236 F238 V239 V240V184-Y186 HydrophobicContact CG1-CE2 4.04Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.45Å; V184-Y186 HydrophobicContact CG2-CE1 4.08Å; V184-Y186 HydrophobicContact CG2-CE2 4.27Å; Y186-K207 WeakPolarHBondContact CA-O 3.49Å; Y186-K207 HydrophobicContact CD1-CB 3.97Å; Y186-K207 HydrophobicContact CE1-CB 4.28Å; Y186-K207 HydrophobicContact CE1-CD 4.32Å; Y186-I209 HydrophobicContact CD1-CD1 3.82Å; Y186-I209 HydrophobicContact CD1-CG1 4.48Å; Y186-L222 HydrophobicContact CG-CD1 4.21Å; Y186-A225 HydrophobicContact CD1-CB 4.4Å; Y186-A225 HydrophobicContact CE1-CB 4.13Å; Y186-L226 HydrophobicContact CD2-CD2 3.99Å; Y186-L226 HydrophobicContact CE1-CD2 4.42Å; Y186-L226 HydrophobicContact CE2-CD2 3.46Å; Y186-L226 VanDerWaalsContact CE2-CD2 3.46Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.34Å; Y186-D229 VanDerWaalsContact OH-CB 3.3Å; Y186-D229 WeakPolarHBondContact OH-CB 3.36Å; Y186-D229 PolarHBondContact OH-OD2 2.99Å; Y186-D229 VanDerWaalsContact OH-OD2 3.05Å; Y186-P236 HydrophobicContact CE2-CB 3.78Å; Y186-P236 HydrophobicContact CE2-CG 4.32Å; Y186-F238 PolarHBondContact N-O 2.87Å; Y186-V239 HydrophobicContact CD2-CG2 4.04Å; Y186-V239 HydrophobicContact CG-CG2 4.46Å; Y186-V239 CarbonylContact O-C 3.48Å; Y186-V239 WeakPolarHBondContact O-CA 3.4Å; Y186-V240 PolarHBondContact O-N 2.92Å
187T98.8Very high98.1Very high4 Ų443.2 Ų43.23%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-155.4159.5174.2-164.10000110.7A191 V195 L206 K207 T208 I209T187-A191 HydrophobicContact CG2-CB 4Å; T187-A191 WeakPolarHBondContact OG1-CB 3.37Å; T187-V195 HydrophobicContact CG2-CB 4.42Å; T187-V195 HydrophobicContact CG2-CG1 3.86Å; T187-L206 HydrophobicContact CG2-CD1 4.13Å; T187-L206 HydrophobicContact CG2-CD2 4.22Å; T187-L206 HydrophobicContact CG2-CG 4.34Å; T187-K207 PolarHBondContact N-O 3.17Å; T187-T208 HydrophobicContact CG2-CG2 4.44Å; T187-T208 CarbonylContact O-C 3.59Å; T187-T208 VanDerWaalsContact O-CA 3.31Å; T187-T208 WeakPolarHBondContact O-CA 3.28Å; T187-I209 PolarHBondContact O-N 2.87Å
188S98.4Very high98.2Very high2 Ų239.8 Ų39.81%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-60.1147.6172.5-1780000111.6Q190 A191 D252S188-Q190 PolarHBondContact O-N 3.48Å; S188-Q190 VanDerWaalsContact O-N 3.08Å; S188-Q190 PolarHBondContact OG-N 3.39Å; S188-A191 VanDerWaalsContact O-CB 3.22Å; S188-A191 WeakPolarHBondContact O-CB 3.47Å; S188-A191 PolarHBondContact O-N 3.19Å; S188-D252 WeakPolarHBondContact CB-OD2 3.44Å; S188-D252 PolarHBondContact OG-OD1 2.86Å
189D97.6Very high98.3Very high68 Ų6838.3 Ų38.336%0.36419%0.187SC..THydrogen-bonded Turntrans-63.2-7.8168.668.66.8000113.7I209 P210 S211D189-I209 PolarHBondContact N-O 2.87Å; D189-P210 WeakPolarHBondContact OD2-CA 3.37Å; D189-S211 VanDerWaalsContact OD1-CB 3.23Å; D189-S211 WeakPolarHBondContact OD1-CB 3.18Å; D189-S211 PolarHBondContact OD1-N 3.41Å; D189-S211 PolarHBondContact OD1-OG 3.03Å; D189-S211 PolarHBondContact OD2-N 2.97Å
190Q98.1Very high98.3Very high17 Ų1744.4 Ų44.48%0.07922%0.219CC..THydrogen-bonded Turntrans-101.50.3173.8-55.3-53.3-56.200114.1S188 F215 T245S188-Q190 PolarHBondContact O-N 3.48Å; S188-Q190 VanDerWaalsContact O-N 3.08Å; S188-Q190 PolarHBondContact OG-N 3.39Å; Q190-F215 HydrophobicContact CG-CB 3.98Å; Q190-F215 HydrophobicContact CG-CD1 4.46Å; Q190-T245 HydrophobicContact CB-CG2 3.69Å
191A97.8Very high98.4Very high23 Ų2347.9 Ų47.919%0.1924%0.237CC..SBendtrans-62.6154.7-178.600000111.7T187 S188 V195T187-A191 HydrophobicContact CG2-CB 4Å; T187-A191 WeakPolarHBondContact OG1-CB 3.37Å; S188-A191 VanDerWaalsContact O-CB 3.22Å; S188-A191 WeakPolarHBondContact O-CB 3.47Å; S188-A191 PolarHBondContact O-N 3.19Å; A191-V195 HydrophobicContact CB-CG2 4.11Å
192H98.4Very high98.4Very high61 Ų6141.4 Ų41.428%0.28221%0.207SC..  trans-66.9148176.7-178.2-105000110.7S194 V195 T246H192-S194 WeakPolarHBondContact ND1-CB 3.45Å; H192-S194 PolarHBondContact ND1-N 2.88Å; H192-S194 VanDerWaalsContact ND1-N 3.12Å; H192-S194 PolarHBondContact ND1-OG 2.8Å; H192-S194 PolarHBondContact O-N 2.87Å; H192-V195 PolarHBondContact O-N 2.92Å; H192-T246 PolarHBondContact CD2-OG1 2.91Å; H192-T246 VanDerWaalsContact CD2-OG1 3.3Å
193S97.7Very high98.4Very high66 Ų6639.1 Ų39.146%0.46221%0.211SC..Hα-helixtrans-58.8-13.2179.660.50000114.3V195 E196 R197S193-V195 VanDerWaalsContact C-N 3.26Å; S193-V195 PolarHBondContact O-N 3.39Å; S193-E196 PolarHBondContact O-N 3.05Å; S193-R197 WeakPolarHBondContact O-CB 3.44Å; S193-R197 PolarHBondContact O-N 3.48Å
194S98.4Very high98.3Very high3 Ų340 Ų402%0.02122%0.216CC..Hα-helixtrans-63.2-29.2170.356.60000113.4S149 H192 R197 A198S149-S194 VanDerWaalsContact OG-CB 3.25Å; S149-S194 WeakPolarHBondContact OG-CB 3.41Å; H192-S194 WeakPolarHBondContact ND1-CB 3.45Å; H192-S194 PolarHBondContact ND1-N 2.88Å; H192-S194 VanDerWaalsContact ND1-N 3.12Å; H192-S194 PolarHBondContact ND1-OG 2.8Å; H192-S194 PolarHBondContact O-N 2.87Å; S194-R197 PolarHBondContact O-N 3.46Å; S194-A198 WeakPolarHBondContact O-CB 3.37Å; S194-A198 PolarHBondContact O-N 2.89Å
195V98.7Very high98.3Very high1 Ų144.4 Ų44.41%0.00624%0.235CC..Hα-helixtrans-70-44.8178.2-174.10000110.2T152 T187 A191 H192 S193 R197 A198 G199 L206 V240T152-V195 HydrophobicContact CG2-CG2 4.29Å; T187-V195 HydrophobicContact CG2-CB 4.42Å; T187-V195 HydrophobicContact CG2-CG1 3.86Å; A191-V195 HydrophobicContact CB-CG2 4.11Å; H192-V195 PolarHBondContact O-N 2.92Å; S193-V195 VanDerWaalsContact C-N 3.26Å; S193-V195 PolarHBondContact O-N 3.39Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 3.45Å; V195-A198 WeakPolarHBondContact O-CB 3.47Å; V195-A198 PolarHBondContact O-N 3.4Å; V195-G199 PolarHBondContact O-N 3.22Å; V195-L206 HydrophobicContact CG1-CD1 4.19Å; V195-L206 HydrophobicContact CG1-CD2 4.19Å; V195-V240 HydrophobicContact CG1-CB 4.2Å; V195-V240 HydrophobicContact CG1-CG2 3.73Å; V195-V240 HydrophobicContact CG2-CB 4.32Å; V195-V240 HydrophobicContact CG2-CG1 3.97Å; V195-V240 HydrophobicContact CG2-CG2 4.3Å
196E98.4Very high98.3Very high122 Ų12246.7 Ų46.757%0.5725%0.247SC*.Hα-helixtrans-58.2-46.7171.5-172.7-177.4-177.400111.1S193 A198 G199 L200 L206S193-E196 PolarHBondContact O-N 3.05Å; E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 3.48Å; E196-G199 PolarHBondContact O-N 3.23Å; E196-G199 VanDerWaalsContact O-N 3.1Å; E196-L200 WeakPolarHBondContact O-CG 3.36Å; E196-L200 PolarHBondContact O-N 3.45Å; E196-L206 VanDerWaalsContact CA-CD2 3.47Å; E196-L206 HydrophobicContact CB-CD2 4.21Å
197R98.6Very high98.2Very high158 Ų15850.3 Ų50.360%0.59626%0.263SS*.Hα-helixtrans-60.3-38.1175.9-169.2168.3-62.1-171.11.6112.8S193 S194 V195 L200 I201S193-R197 WeakPolarHBondContact O-CB 3.44Å; S193-R197 PolarHBondContact O-N 3.48Å; S194-R197 PolarHBondContact O-N 3.46Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 3.45Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-I201 HydrophobicContact CG-CD1 3.91Å; R197-I201 WeakPolarHBondContact O-CG1 3.42Å; R197-I201 PolarHBondContact O-N 3.05Å
198A98.7Very high98.2Very high2 Ų254.8 Ų54.82%0.01729%0.29CS..Hα-helixtrans-66.4-39175.300000111.5T152 L153 L156 S194 V195 E196 G202T152-A198 HydrophobicContact CG2-CB 4.12Å; L153-A198 HydrophobicContact CB-CB 4.19Å; L153-A198 HydrophobicContact CD1-CB 4.3Å; L156-A198 HydrophobicContact CD1-CB 4.11Å; S194-A198 WeakPolarHBondContact O-CB 3.37Å; S194-A198 PolarHBondContact O-N 2.89Å; V195-A198 WeakPolarHBondContact O-CB 3.47Å; V195-A198 PolarHBondContact O-N 3.4Å; E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 3.48Å; A198-G202 WeakPolarHBondContact O-CA 3.37Å; A198-G202 PolarHBondContact O-N 3.06Å
199G98.4Very high98.2Very high3 Ų354.8 Ų54.83%0.03129%0.29CS..Hα-helixtrans-60.6-46.5172.200000112.5V195 E196 G202 G203 V204V195-G199 PolarHBondContact O-N 3.22Å; E196-G199 PolarHBondContact O-N 3.23Å; E196-G199 VanDerWaalsContact O-N 3.1Å; G199-G202 PolarHBondContact O-N 2.97Å; G199-G203 PolarHBondContact O-N 2.93Å; G199-V204 PolarHBondContact O-N 3.16Å; G199-V204 VanDerWaalsContact O-N 3.16Å
200L98.3Very high98.2Very high131 Ų13155.6 Ų55.669%0.68630%0.299SS*.Hα-helixtrans-60.8-51.5177.5-68.7173.1000112.3E196 R197 G202 G203E196-L200 WeakPolarHBondContact O-CG 3.36Å; E196-L200 PolarHBondContact O-N 3.45Å; R197-L200 PolarHBondContact O-N 3.45Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G203 PolarHBondContact O-N 2.84Å
201I98.6Very high98.2Very high109 Ų10955.4 Ų55.456%0.55930%0.3SS*.Hα-helixtrans-68.2-37.1178.9-64.4169.1000110.9L153 R197 G203L153-I201 HydrophobicContact CD1-CB 4.11Å; L153-I201 HydrophobicContact CD1-CG2 3.94Å; L153-I201 HydrophobicContact CD2-CB 4.37Å; L153-I201 HydrophobicContact CD2-CD1 4.22Å; L153-I201 HydrophobicContact CD2-CG2 3.82Å; R197-I201 HydrophobicContact CG-CD1 3.91Å; R197-I201 WeakPolarHBondContact O-CG1 3.42Å; R197-I201 PolarHBondContact O-N 3.05Å; I201-G203 PolarHBondContact O-N 3.43Å
202G97.6Very high98.2Very high1 Ų156.3 Ų56.31%0.0130%0.301CS..Hα-helixtrans-69.7-15.2177.700000113.9R160 A198 G199 L200 V204R160-G202 PolarHBondContact NH1-O 3.31Å; A198-G202 WeakPolarHBondContact O-CA 3.37Å; A198-G202 PolarHBondContact O-N 3.06Å; G199-G202 PolarHBondContact O-N 2.97Å; L200-G202 VanDerWaalsContact C-N 3.34Å; G202-V204 VanDerWaalsContact C-N 3.35Å
203G97.6Very high98.1Very high50 Ų5056 Ų5652%0.51532%0.315SS..THydrogen-bonded Turntrans63.738.4-179.100000112.8M180 G199 L200 I201M180-G203 VanDerWaalsContact CE-O 3.28Å; M180-G203 WeakPolarHBondContact CE-O 3.38Å; G199-G203 PolarHBondContact O-N 2.93Å; L200-G203 PolarHBondContact O-N 2.84Å; I201-G203 PolarHBondContact O-N 3.43Å
204V97.2Very high98.1Very high18 Ų1858.5 Ų58.511%0.10932%0.323CS..  trans-121.9155-178.1-63.40000111.2L156 R160 M180 L183 G199 G202 F237L156-V204 HydrophobicContact CD1-CG2 4.01Å; L156-V204 HydrophobicContact CD2-CG2 4.1Å; L156-V204 HydrophobicContact CG-CG2 4.45Å; R160-V204 HydrophobicContact CG-CG1 4.31Å; M180-V204 HydrophobicContact CE-CG1 4.24Å; L183-V204 HydrophobicContact CB-CG1 4.43Å; G199-V204 PolarHBondContact O-N 3.16Å; G199-V204 VanDerWaalsContact O-N 3.16Å; G202-V204 VanDerWaalsContact C-N 3.35Å; V204-F237 HydrophobicContact CB-CE1 4.1Å; V204-F237 HydrophobicContact CB-CZ 4.08Å; V204-F237 HydrophobicContact CG1-CE1 4.08Å; V204-F237 HydrophobicContact CG1-CZ 3.79Å; V204-F237 HydrophobicContact CG2-CE1 4.38Å; V204-F237 HydrophobicContact CG2-CZ 4.05Å
205K98.5Very high98Very high93 Ų9359.2 Ų59.240%0.40433%0.326SS..EExtended strand (participates in β ladder)trans-67.4135.1169.5-63.2173.4172.662.30108.5E181 L183 V184 A185 L234E181-K205 PolarHBondContact O-NZ 2.82Å; L183-K205 WeakPolarHBondContact O-CB 3.4Å; L183-K205 PolarHBondContact O-N 3.34Å; V184-K205 WeakPolarHBondContact CA-O 3.47Å; V184-K205 HydrophobicContact CB-CB 4.25Å; V184-K205 HydrophobicContact CG2-CB 4.24Å; A185-K205 PolarHBondContact N-O 3.5Å; K205-L234 HydrophobicContact CD-CD2 4.4Å
206L98.6Very high98Very high48 Ų4859.5 Ų59.525%0.25133%0.328SS..EExtended strand (participates in β ladder)trans-121.7130.7172.5-176.970.7000108.7A185 T187 V195 E196A185-L206 HydrophobicContact CB-CD1 3.8Å; A185-L206 CarbonylContact O-C 3.57Å; A185-L206 WeakPolarHBondContact O-CA 3.26Å; T187-L206 HydrophobicContact CG2-CD1 4.13Å; T187-L206 HydrophobicContact CG2-CD2 4.22Å; T187-L206 HydrophobicContact CG2-CG 4.34Å; V195-L206 HydrophobicContact CG1-CD1 4.19Å; V195-L206 HydrophobicContact CG1-CD2 4.19Å; E196-L206 VanDerWaalsContact CA-CD2 3.47Å; E196-L206 HydrophobicContact CB-CD2 4.21Å
207K98.6Very high98Very high77 Ų7753.7 Ų53.734%0.33530%0.301SS..EExtended strand (participates in β ladder)trans-115.1139.1173.2-70.8-165.6178.7-175.10111.2V184 A185 Y186 T187 D229V184-K207 HydrophobicContact CG2-CD 4.22Å; V184-K207 HydrophobicContact CG2-CG 3.98Å; A185-K207 PolarHBondContact O-N 2.65Å; Y186-K207 WeakPolarHBondContact CA-O 3.49Å; Y186-K207 HydrophobicContact CD1-CB 3.97Å; Y186-K207 HydrophobicContact CE1-CB 4.28Å; Y186-K207 HydrophobicContact CE1-CD 4.32Å; T187-K207 PolarHBondContact N-O 3.17Å; K207-D229 VanDerWaalsContact CD-OD2 3.22Å; K207-D229 WeakPolarHBondContact CD-OD2 3.47Å; K207-D229 WeakPolarHBondContact CE-OD2 3.46Å; K207-D229 IonicContact NZ-OD1 2.62Å; K207-D229 PolarHBondContact NZ-OD1 3.15Å; K207-D229 IonicContact NZ-OD2 3.52Å; K207-D229 PolarHBondContact NZ-OD2 3.27Å
208T98.1Very high98Very high97 Ų9749.5 Ų49.560%0.59529%0.285SS*.EExtended strand (participates in β ladder)trans-88.6132.7172.447.50000110T187T187-T208 HydrophobicContact CG2-CG2 4.44Å; T187-T208 CarbonylContact O-C 3.59Å; T187-T208 VanDerWaalsContact O-CA 3.31Å; T187-T208 WeakPolarHBondContact O-CA 3.28Å
209I98.7Very high98Very high3 Ų350.3 Ų50.32%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-97.6124.4175.2-56.5-56.3000107.8Y186 T187 D189 S211 M217 A221 L222 A225Y186-I209 HydrophobicContact CD1-CD1 3.82Å; Y186-I209 HydrophobicContact CD1-CG1 4.48Å; T187-I209 PolarHBondContact O-N 2.87Å; D189-I209 PolarHBondContact N-O 2.87Å; I209-S211 PolarHBondContact O-N 3.02Å; I209-M217 HydrophobicContact CB-CG 4.14Å; I209-M217 HydrophobicContact CB-SD 3.79Å; I209-M217 HydrophobicContact CG1-SD 3.98Å; I209-M217 HydrophobicContact CG2-CG 3.78Å; I209-M217 HydrophobicContact CG2-SD 4Å; I209-A221 HydrophobicContact CG2-CB 3.77Å; I209-L222 HydrophobicContact CD1-CD1 4.28Å; I209-L222 HydrophobicContact CG1-CD1 4.17Å; I209-A225 HydrophobicContact CD1-CB 3.47Å; I209-A225 VanDerWaalsContact CD1-CB 3.47Å
210P98.1Very high98Very high85 Ų8554.2 Ų54.255%0.55232%0.319SS*.PPolyproline II helixtrans-58.2135.1177.2-24.533.9000112D189D189-P210 WeakPolarHBondContact OD2-CA 3.37Å
211S98.1Very high98Very high13 Ų1349.2 Ų49.29%0.09130%0.296CS..PPolyproline II helixtrans-88.1155.7174.858.20000112.9D189 I209 F215D189-S211 VanDerWaalsContact OD1-CB 3.23Å; D189-S211 WeakPolarHBondContact OD1-CB 3.18Å; D189-S211 PolarHBondContact OD1-N 3.41Å; D189-S211 PolarHBondContact OD1-OG 3.03Å; D189-S211 PolarHBondContact OD2-N 2.97Å; I209-S211 PolarHBondContact O-N 3.02Å; S211-F215 VanDerWaalsContact CB-C 3.5Å
212D97.6Very high98Very high41 Ų4144 Ų4422%0.21927%0.27CS..  trans-72.8-171.7178.975.7-0.3000113.3N214 F215 S216 R218 R441D212-N214 PolarHBondContact O-N 3.04Å; D212-N214 VanDerWaalsContact O-N 3.17Å; D212-N214 VanDerWaalsContact OD1-CA 3.31Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; D212-N214 PolarHBondContact OD1-N 2.75Å; D212-F215 PolarHBondContact O-N 2.91Å; D212-F215 PolarHBondContact OD1-N 3.3Å; D212-S216 PolarHBondContact N-O 2.82Å; D212-S216 WeakPolarHBondContact OD1-CB 3.47Å; D212-S216 PolarHBondContact OD1-N 2.9Å; D212-R218 HydrophobicContact CB-CG 3.88Å; D212-R218 WeakPolarHBondContact OD2-CD 3.29Å; D212-R218 IonicContact OD2-NH1 3.29Å; D212-R441 PolarHBondContact O-NH2 3.26Å
213G96.1Very high98Very high55 Ų5548 Ų4857%0.56729%0.287SS*.THydrogen-bonded Turntrans-59.8-20.8176.800000115.1
214N96.5Very high98.1Very high119 Ų11951 Ų5164%0.63629%0.288SS*.THydrogen-bonded Turntrans-99.912.9177-61.5-37000112.1D212 S216 S250D212-N214 PolarHBondContact O-N 3.04Å; D212-N214 VanDerWaalsContact O-N 3.17Å; D212-N214 VanDerWaalsContact OD1-CA 3.31Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; D212-N214 PolarHBondContact OD1-N 2.75Å; N214-S216 PolarHBondContact O-N 3.22Å; N214-S250 WeakPolarHBondContact O-CB 3.09Å
215F98.1Very high98.1Very high18 Ų1850.8 Ų50.88%0.07929%0.289CS..SBendtrans60.932.6-179.1-54.9-81.6000112.2Q190 S211 D212 S250 T402 L440 R441Q190-F215 HydrophobicContact CG-CB 3.98Å; Q190-F215 HydrophobicContact CG-CD1 4.46Å; S211-F215 VanDerWaalsContact CB-C 3.5Å; D212-F215 PolarHBondContact O-N 2.91Å; D212-F215 PolarHBondContact OD1-N 3.3Å; F215-S250 VanDerWaalsContact O-CB 3.3Å; F215-S250 WeakPolarHBondContact O-CB 3.3Å; F215-S250 PolarHBondContact O-OG 3.45Å; F215-T402 HydrophobicContact CD2-CG2 3.75Å; F215-T402 HydrophobicContact CE2-CG2 3.62Å; F215-L440 HydrophobicContact CE1-CB 3.93Å; F215-L440 HydrophobicContact CE1-CD2 4.34Å; F215-L440 HydrophobicContact CE2-CD1 4.23Å; F215-L440 HydrophobicContact CZ-CB 3.71Å; F215-L440 HydrophobicContact CZ-CD1 4.23Å; F215-L440 HydrophobicContact CZ-CD2 4.44Å; F215-L440 HydrophobicContact CZ-CG 4.35Å; F215-R441 HydrophobicContact CE1-CG 4.16Å
216S98.4Very high98.1Very high7 Ų746.4 Ų46.45%0.04927%0.269CS..  trans-109.2129.5178.2-1760000111D212 N214 F251 D252 N253D212-S216 PolarHBondContact N-O 2.82Å; D212-S216 WeakPolarHBondContact OD1-CB 3.47Å; D212-S216 PolarHBondContact OD1-N 2.9Å; N214-S216 PolarHBondContact O-N 3.22Å; S216-F251 WeakPolarHBondContact CB-O 3.47Å; S216-F251 PolarHBondContact OG-O 2.93Å; S216-D252 WeakPolarHBondContact OG-CA 3.25Å; S216-N253 PolarHBondContact OG-N 3.26Å
217M98.6Very high98.1Very high0 Ų048.9 Ų48.90%028%0.28CS..  trans-66.4132.9168-178.7174.259.800110.3I209 V239 V241 D252 N253 V257I209-M217 HydrophobicContact CB-CG 4.14Å; I209-M217 HydrophobicContact CB-SD 3.79Å; I209-M217 HydrophobicContact CG1-SD 3.98Å; I209-M217 HydrophobicContact CG2-CG 3.78Å; I209-M217 HydrophobicContact CG2-SD 4Å; M217-V239 HydrophobicContact CE-CG1 4.19Å; M217-V241 HydrophobicContact CE-CG2 3.63Å; M217-D252 HydrophobicContact CB-CB 3.97Å; M217-D252 WeakPolarHBondContact CB-OD1 3.48Å; M217-D252 HydrophobicContact CE-CB 4.36Å; M217-D252 PolarHBondContact N-OD1 3.2Å; M217-N253 PolarHBondContact O-N 3.36Å; M217-V257 HydrophobicContact CE-CG1 4.16Å; M217-V257 HydrophobicContact CE-CG2 4.17Å; M217-V257 HydrophobicContact CG-CG2 4.43Å
218R98.5Very high98.1Very high70 Ų7050.3 Ų50.326%0.26429%0.288SS..  trans-115.4156.9-177.6-53.4-53.4-65-144.4-9.7112.1D212 S220 L222 N253 E256D212-R218 HydrophobicContact CB-CG 3.88Å; D212-R218 WeakPolarHBondContact OD2-CD 3.29Å; D212-R218 IonicContact OD2-NH1 3.29Å; R218-S220 VanDerWaalsContact C-N 3.34Å; R218-S220 PolarHBondContact O-N 2.84Å; R218-L222 PolarHBondContact O-N 2.8Å; R218-N253 PolarHBondContact NH1-ND2 2.83Å; R218-N253 PolarHBondContact NH2-ND2 2.93Å; R218-E256 IonicContact CZ-OE1 3.19Å; R218-E256 IonicContact CZ-OE2 3.78Å; R218-E256 VanDerWaalsContact CZ-OE2 3.31Å; R218-E256 IonicContact NE-OE1 3.97Å; R218-E256 IonicContact NE-OE2 2.54Å; R218-E256 PolarHBondContact NE-OE2 3.12Å; R218-E256 IonicContact NH2-OE1 2.93Å; R218-E256 PolarHBondContact NH2-OE1 2.82Å; R218-E256 IonicContact NH2-OE2 2.83Å; R218-E256 PolarHBondContact NH2-OE2 3Å
219A97.4Very high98.2Very high19 Ų1946 Ų4616%0.15726%0.261CS..Hα-helixtrans-52.7-47177.700000113.6A221 L222 Q223 E256 I260A219-A221 PolarHBondContact O-N 3.16Å; A219-L222 PolarHBondContact O-N 3.14Å; A219-Q223 VanDerWaalsContact O-CB 3.3Å; A219-Q223 WeakPolarHBondContact O-CB 3.41Å; A219-Q223 PolarHBondContact O-N 3.32Å; A219-E256 HydrophobicContact CB-CB 3.7Å; A219-E256 HydrophobicContact CB-CG 4.36Å; A219-E256 PolarHBondContact N-OE2 2.78Å; A219-I260 HydrophobicContact CB-CD1 3.39Å
220S97.9Very high98.2Very high85 Ų8549.7 Ų49.759%0.59428%0.277SS*.Hα-helixtrans-59.3-48.2-174.150.70000112.9R218 Q223 E224R218-S220 VanDerWaalsContact C-N 3.34Å; R218-S220 PolarHBondContact O-N 2.84Å; S220-Q223 PolarHBondContact O-N 3.29Å; S220-E224 WeakPolarHBondContact O-CB 3.36Å; S220-E224 PolarHBondContact O-N 3.35Å
221A98.5Very high98.2Very high26 Ų2650 Ų5022%0.21529%0.287CS..Hα-helixtrans-68.4-36.1-179.600000112.2I209 A219 A225I209-A221 HydrophobicContact CG2-CB 3.77Å; A219-A221 PolarHBondContact O-N 3.16Å; A221-A225 PolarHBondContact O-N 2.91Å
222L98.8Very high98.2Very high0 Ų052.9 Ų52.90%031%0.311CS..Hα-helixtrans-66.5-47172.8176.362.5000111.3Y186 I209 R218 A219 E224 A225 L226 V239 V257 I260Y186-L222 HydrophobicContact CG-CD1 4.21Å; I209-L222 HydrophobicContact CD1-CD1 4.28Å; I209-L222 HydrophobicContact CG1-CD1 4.17Å; R218-L222 PolarHBondContact O-N 2.8Å; A219-L222 PolarHBondContact O-N 3.14Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.14Å; L222-A225 PolarHBondContact O-N 2.84Å; L222-L226 HydrophobicContact CD1-CD1 4.19Å; L222-L226 HydrophobicContact CD1-CD2 4.43Å; L222-L226 HydrophobicContact CD1-CG 4.06Å; L222-L226 HydrophobicContact CG-CD1 3.93Å; L222-L226 HydrophobicContact CG-CG 4.24Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.49Å; L222-V239 HydrophobicContact CD1-CG2 4.14Å; L222-V239 HydrophobicContact CD2-CG1 4.39Å; L222-V239 HydrophobicContact CD2-CG2 4.43Å; L222-V257 HydrophobicContact CD2-CB 4.37Å; L222-V257 HydrophobicContact CD2-CG1 3.57Å; L222-V257 HydrophobicContact CD2-CG2 4.29Å; L222-I260 HydrophobicContact CD2-CG2 4.45Å
223Q98.5Very high98.2Very high83 Ų8352.9 Ų52.939%0.38832%0.321SS..Hα-helixtrans-60-45-178.5-178.9170.23.700111.5A219 S220 A225 L226 E227 I260A219-Q223 VanDerWaalsContact O-CB 3.3Å; A219-Q223 WeakPolarHBondContact O-CB 3.41Å; A219-Q223 PolarHBondContact O-N 3.32Å; S220-Q223 PolarHBondContact O-N 3.29Å; Q223-A225 VanDerWaalsContact C-N 3.34Å; Q223-A225 PolarHBondContact O-N 3.07Å; Q223-L226 PolarHBondContact O-N 3.43Å; Q223-E227 HydrophobicContact CG-CG 4.39Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.31Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CB 3.42Å; Q223-E227 WeakPolarHBondContact O-CG 3.46Å; Q223-E227 PolarHBondContact O-N 3.25Å; Q223-I260 HydrophobicContact CB-CD1 4.31Å
224E98.6Very high98.4Very high114 Ų11452 Ų5253%0.53330%0.303SS..Hα-helixtrans-57.3-46.8175.4-178.6179.5177.300111.6S220 L222 L226 E227 Q228S220-E224 WeakPolarHBondContact O-CB 3.36Å; S220-E224 PolarHBondContact O-N 3.35Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.14Å; E224-L226 PolarHBondContact O-N 3.23Å; E224-E227 PolarHBondContact O-N 3.17Å; E224-Q228 VanDerWaalsContact CG-NE2 3.35Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.27Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 3.04Å; E224-Q228 PolarHBondContact OE1-NE2 2.94Å
225A98.8Very high98.5Very high14 Ų1448.4 Ų48.412%0.11628%0.284CS..Hα-helixtrans-63.1-42.4178.400000112.2Y186 I209 A221 L222 Q223 D229Y186-A225 HydrophobicContact CD1-CB 4.4Å; Y186-A225 HydrophobicContact CE1-CB 4.13Å; I209-A225 HydrophobicContact CD1-CB 3.47Å; I209-A225 VanDerWaalsContact CD1-CB 3.47Å; A221-A225 PolarHBondContact O-N 2.91Å; L222-A225 PolarHBondContact O-N 2.84Å; Q223-A225 VanDerWaalsContact C-N 3.34Å; Q223-A225 PolarHBondContact O-N 3.07Å; A225-D229 WeakPolarHBondContact O-CB 3.3Å; A225-D229 PolarHBondContact O-N 2.66Å
226L98.7Very high98.5Very high0 Ų048.6 Ų48.60%029%0.286CS..Hα-helixtrans-62.3-43.9176.9-68.2175.4000111.8Y186 L222 Q223 E224 D229 K230 P236 I260 E264Y186-L226 HydrophobicContact CD2-CD2 3.99Å; Y186-L226 HydrophobicContact CE1-CD2 4.42Å; Y186-L226 HydrophobicContact CE2-CD2 3.46Å; Y186-L226 VanDerWaalsContact CE2-CD2 3.46Å; L222-L226 HydrophobicContact CD1-CD1 4.19Å; L222-L226 HydrophobicContact CD1-CD2 4.43Å; L222-L226 HydrophobicContact CD1-CG 4.06Å; L222-L226 HydrophobicContact CG-CD1 3.93Å; L222-L226 HydrophobicContact CG-CG 4.24Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.49Å; Q223-L226 PolarHBondContact O-N 3.43Å; E224-L226 PolarHBondContact O-N 3.23Å; L226-D229 PolarHBondContact O-N 3.11Å; L226-K230 WeakPolarHBondContact O-CB 3.42Å; L226-K230 WeakPolarHBondContact O-CE 3.46Å; L226-K230 VanDerWaalsContact O-CG 3.3Å; L226-K230 WeakPolarHBondContact O-CG 3.42Å; L226-K230 PolarHBondContact O-N 3.17Å; L226-P236 HydrophobicContact CD2-CB 3.51Å; L226-P236 HydrophobicContact CD2-CG 3.77Å; L226-I260 HydrophobicContact CD1-CG2 3.58Å; L226-E264 HydrophobicContact CD1-CG 4.21Å
227E98.6Very high98.5Very high101 Ų10148.2 Ų48.247%0.47228%0.284SS..Hα-helixtrans-65.1-45.5179.2-74173.2-17400111.7Q223 E224 D229 K230 A231Q223-E227 HydrophobicContact CG-CG 4.39Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.31Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CB 3.42Å; Q223-E227 WeakPolarHBondContact O-CG 3.46Å; Q223-E227 PolarHBondContact O-N 3.25Å; E224-E227 PolarHBondContact O-N 3.17Å; E227-D229 VanDerWaalsContact C-N 3.35Å; E227-D229 PolarHBondContact O-N 3.42Å; E227-K230 PolarHBondContact O-N 2.7Å; E227-A231 WeakPolarHBondContact O-CB 3.35Å; E227-A231 PolarHBondContact O-N 2.95Å
228Q98.6Very high98.5Very high107 Ų10748.2 Ų48.250%0.528%0.284SS..Hα-helixtrans-60.3-43.9176.3-72.1174.39.100111.8E224 A231 A232E224-Q228 VanDerWaalsContact CG-NE2 3.35Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.27Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 3.04Å; E224-Q228 PolarHBondContact OE1-NE2 2.94Å; Q228-A231 PolarHBondContact O-N 3.4Å; Q228-A232 WeakPolarHBondContact O-CB 3.25Å; Q228-A232 PolarHBondContact O-N 3.03Å
229D98.8Very high98.5Very high6 Ų644.9 Ų44.93%0.03227%0.271CS..Hα-helixtrans-73.2-37.5-177.6-80.7-20.6000113.1V184 Y186 K207 A225 L226 E227 A231 A232 G233 L234V184-D229 HydrophobicContact CG1-CB 4.32Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.34Å; Y186-D229 VanDerWaalsContact OH-CB 3.3Å; Y186-D229 WeakPolarHBondContact OH-CB 3.36Å; Y186-D229 PolarHBondContact OH-OD2 2.99Å; Y186-D229 VanDerWaalsContact OH-OD2 3.05Å; K207-D229 VanDerWaalsContact CD-OD2 3.22Å; K207-D229 WeakPolarHBondContact CD-OD2 3.47Å; K207-D229 WeakPolarHBondContact CE-OD2 3.46Å; K207-D229 IonicContact NZ-OD1 2.62Å; K207-D229 PolarHBondContact NZ-OD1 3.15Å; K207-D229 IonicContact NZ-OD2 3.52Å; K207-D229 PolarHBondContact NZ-OD2 3.27Å; A225-D229 WeakPolarHBondContact O-CB 3.3Å; A225-D229 PolarHBondContact O-N 2.66Å; L226-D229 PolarHBondContact O-N 3.11Å; E227-D229 VanDerWaalsContact C-N 3.35Å; E227-D229 PolarHBondContact O-N 3.42Å; D229-A231 VanDerWaalsContact C-N 3.34Å; D229-A232 CarbonylContact O-C 3.56Å; D229-A232 PolarHBondContact O-N 3.12Å; D229-G233 PolarHBondContact O-N 3.13Å; D229-L234 HydrophobicContact CB-CB 4.09Å; D229-L234 HydrophobicContact CB-CD1 4.19Å; D229-L234 WeakPolarHBondContact O-CB 3.48Å; D229-L234 PolarHBondContact O-N 2.88Å; D229-L234 WeakPolarHBondContact OD1-CD1 3.34Å
230K98.6Very high98.6Very high80 Ų8044 Ų4435%0.34826%0.264SS..Hα-helixtrans-61.9-42.8170.1-76.6-179.3-82.5168.80111.3L226 E227 A232 G233 P236 E264L226-K230 WeakPolarHBondContact O-CB 3.42Å; L226-K230 WeakPolarHBondContact O-CE 3.46Å; L226-K230 VanDerWaalsContact O-CG 3.3Å; L226-K230 WeakPolarHBondContact O-CG 3.42Å; L226-K230 PolarHBondContact O-N 3.17Å; E227-K230 PolarHBondContact O-N 2.7Å; K230-A232 PolarHBondContact O-N 3.35Å; K230-G233 PolarHBondContact O-N 3.2Å; K230-P236 HydrophobicContact CD-CG 4.42Å; K230-P236 HydrophobicContact CG-CG 3.86Å; K230-E264 IonicContact NZ-OE1 2.69Å; K230-E264 PolarHBondContact NZ-OE1 2.97Å; K230-E264 IonicContact NZ-OE2 2.66Å; K230-E264 PolarHBondContact NZ-OE2 2.83Å
231A98.5Very high98.7Very high93 Ų9340 Ų4077%0.76924%0.236SC*.Hα-helixtrans-63.4-30.9175.500000112.7E227 Q228 D229 G233E227-A231 WeakPolarHBondContact O-CB 3.35Å; E227-A231 PolarHBondContact O-N 2.95Å; Q228-A231 PolarHBondContact O-N 3.4Å; D229-A231 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 2.89Å
232A98.5Very high98.7Very high73 Ų7338.9 Ų38.960%0.60323%0.227SC*.THydrogen-bonded Turntrans-79.91.2173.200000114.1Q228 D229 K230 L234Q228-A232 WeakPolarHBondContact O-CB 3.25Å; Q228-A232 PolarHBondContact O-N 3.03Å; D229-A232 CarbonylContact O-C 3.56Å; D229-A232 PolarHBondContact O-N 3.12Å; K230-A232 PolarHBondContact O-N 3.35Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.96Å
233G98.1Very high98.7Very high41 Ų4139 Ų3942%0.42323%0.227SC..THydrogen-bonded Turntrans75.915.6-179.400000114.6D229 K230 A231D229-G233 PolarHBondContact O-N 3.13Å; K230-G233 PolarHBondContact O-N 3.2Å; A231-G233 PolarHBondContact O-N 2.89Å
234L98.7Very high98.7Very high37 Ų3735.3 Ų35.319%0.19421%0.211CC..  trans-80.5163.2169.4-59.7-178.9000110.7K182 V184 K205 D229 A232 P236K182-L234 WeakPolarHBondContact O-CA 3.35Å; V184-L234 HydrophobicContact CB-CD1 4.49Å; V184-L234 HydrophobicContact CG1-CB 3.9Å; V184-L234 HydrophobicContact CG1-CD1 4.39Å; K205-L234 HydrophobicContact CD-CD2 4.4Å; D229-L234 HydrophobicContact CB-CB 4.09Å; D229-L234 HydrophobicContact CB-CD1 4.19Å; D229-L234 WeakPolarHBondContact O-CB 3.48Å; D229-L234 PolarHBondContact O-N 2.88Å; D229-L234 WeakPolarHBondContact OD1-CD1 3.34Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.96Å; L234-P236 WeakPolarHBondContact O-CD 3.46Å
235I98.7Very high98.7Very high43 Ų4329.9 Ų29.922%0.22119%0.186CC..EExtended strand (participates in β ladder)trans-119.296.2-175-57.6172.4000108.1V163 L167 K182 L183 V184 F237V163-I235 HydrophobicContact CG1-CG2 4.13Å; L167-I235 HydrophobicContact CD1-CD1 3.71Å; L167-I235 HydrophobicContact CD1-CG2 4.34Å; K182-I235 HydrophobicContact CB-CD1 3.82Å; K182-I235 HydrophobicContact CB-CG1 3.92Å; K182-I235 HydrophobicContact CD-CD1 4.32Å; K182-I235 PolarHBondContact O-N 3.24Å; L183-I235 WeakPolarHBondContact CA-O 3.39Å; L183-I235 HydrophobicContact CD2-CB 4Å; L183-I235 HydrophobicContact CD2-CG2 3.83Å; V184-I235 PolarHBondContact N-O 2.74Å; I235-F237 PolarHBondContact O-N 3.41Å
236P98.8Very high98.6Very high21 Ų2131.3 Ų31.314%0.13619%0.194CC..EExtended strand (participates in β ladder)trans-54.5130.1166.4-25.635.1000111.2V184 Y186 L226 K230 L234 V266V184-P236 HydrophobicContact CG1-CG 4.47Å; V184-P236 WeakPolarHBondContact O-CA 3.42Å; Y186-P236 HydrophobicContact CE2-CB 3.78Å; Y186-P236 HydrophobicContact CE2-CG 4.32Å; L226-P236 HydrophobicContact CD2-CB 3.51Å; L226-P236 HydrophobicContact CD2-CG 3.77Å; K230-P236 HydrophobicContact CD-CG 4.42Å; K230-P236 HydrophobicContact CG-CG 3.86Å; L234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-V266 HydrophobicContact CB-CG2 3.77Å
237F98.8Very high98.6Very high0 Ų032.8 Ų32.80%020%0.204CC..EExtended strand (participates in β ladder)trans-142.2-19.1-17983-80.1000115.7L156 A159 R160 V163 L183 V184 A185 V204 I235 W267L156-F237 HydrophobicContact CG-CZ 4.42Å; A159-F237 HydrophobicContact CB-CD2 4.01Å; A159-F237 HydrophobicContact CB-CE2 4.18Å; R160-F237 HydrophobicContact CB-CD2 4.4Å; R160-F237 HydrophobicContact CB-CE2 3.8Å; R160-F237 HydrophobicContact CB-CZ 4.45Å; V163-F237 HydrophobicContact CB-CB 4.35Å; V163-F237 HydrophobicContact CG1-CB 4.34Å; V163-F237 HydrophobicContact CG2-CB 3.96Å; L183-F237 HydrophobicContact CB-CD1 3.72Å; L183-F237 HydrophobicContact CB-CE1 3.77Å; L183-F237 HydrophobicContact CD1-CD1 4.41Å; L183-F237 HydrophobicContact CD1-CE1 4.48Å; L183-F237 HydrophobicContact CD2-CB 4.2Å; L183-F237 HydrophobicContact CD2-CD1 4.09Å; L183-F237 HydrophobicContact CD2-CG 4.19Å; L183-F237 HydrophobicContact CG-CD1 4.27Å; V184-F237 VanDerWaalsContact O-CD1 3.22Å; V184-F237 WeakPolarHBondContact O-CD1 3.24Å; V184-F237 PolarHBondContact O-N 3.43Å; V184-F237 VanDerWaalsContact O-N 3.14Å; A185-F237 HydrophobicContact CB-CE1 3.88Å; A185-F237 HydrophobicContact CB-CZ 4.1Å; V204-F237 HydrophobicContact CB-CE1 4.1Å; V204-F237 HydrophobicContact CB-CZ 4.08Å; V204-F237 HydrophobicContact CG1-CE1 4.08Å; V204-F237 HydrophobicContact CG1-CZ 3.79Å; V204-F237 HydrophobicContact CG2-CE1 4.38Å; V204-F237 HydrophobicContact CG2-CZ 4.05Å; I235-F237 PolarHBondContact O-N 3.41Å; F237-W267 VanDerWaalsContact O-CB 3.3Å; F237-W267 WeakPolarHBondContact O-CB 3.45Å; F237-W267 PolarHBondContact O-N 3.26Å
238F98.9Very high98.5Very high0 Ų028.1 Ų28.10%018%0.182CC..EExtended strand (participates in β ladder)trans-148.1133.1-175.7-173-104.5000111.9A155 L156 A159 A185 Y186 V240 W267 H269A155-F238 HydrophobicContact CB-CE2 3.91Å; A155-F238 HydrophobicContact CB-CZ 4.05Å; L156-F238 HydrophobicContact CB-CD1 4.35Å; L156-F238 HydrophobicContact CB-CE1 3.96Å; L156-F238 HydrophobicContact CB-CE2 4.3Å; L156-F238 HydrophobicContact CB-CZ 3.95Å; L156-F238 HydrophobicContact CD1-CD1 4.21Å; L156-F238 HydrophobicContact CD1-CE1 4.19Å; L156-F238 HydrophobicContact CG-CD1 4.31Å; L156-F238 HydrophobicContact CG-CE1 4.35Å; A159-F238 HydrophobicContact CB-CB 4.46Å; A159-F238 HydrophobicContact CB-CD2 3.63Å; A159-F238 HydrophobicContact CB-CE2 4.33Å; A159-F238 HydrophobicContact CB-CG 4.46Å; A185-F238 CarbonylContact C-O 3.48Å; A185-F238 WeakPolarHBondContact CA-O 3.5Å; A185-F238 HydrophobicContact CB-CB 4Å; A185-F238 HydrophobicContact CB-CD1 4.14Å; Y186-F238 PolarHBondContact N-O 2.87Å; F238-V240 HydrophobicContact CD1-CG2 3.97Å; F238-V240 HydrophobicContact CE1-CG2 3.21Å; F238-V240 HydrophobicContact CZ-CG2 3.84Å; F238-W267 CarbonylContact C-O 3.55Å; F238-W267 WeakPolarHBondContact CA-O 3.39Å; F238-W267 HydrophobicContact CD2-CB 3.93Å; F238-W267 AromaticContact CD2-CD1 3.5Å; F238-W267 VanDerWaalsContact CD2-CD1 3.5Å; F238-W267 AromaticContact CD2-CG 3.8Å; F238-W267 HydrophobicContact CD2-CG 3.8Å; F238-W267 AromaticContact CE2-CD1 3.42Å; F238-W267 VanDerWaalsContact CE2-CD1 3.42Å; F238-W267 HydrophobicContact CE2-CG 4.12Å; F238-W267 AromaticContact CE2-NE1 3.86Å; F238-H269 HydrophobicContact CE1-CB 4.45Å; F238-H269 HydrophobicContact CE2-CB 3.63Å; F238-H269 HydrophobicContact CZ-CB 3.49Å; F238-H269 VanDerWaalsContact CZ-CB 3.49Å; F238-H269 AromaticContact CZ-CG 3.98Å
239V98.9Very high98.5Very high0 Ų023.4 Ų23.40%016%0.161CC..EExtended strand (participates in β ladder)trans-127.1132.6174.5171.50000108.4Y186 M217 L222 V241 V257 V266 W267 L268 H269Y186-V239 HydrophobicContact CD2-CG2 4.04Å; Y186-V239 HydrophobicContact CG-CG2 4.46Å; Y186-V239 CarbonylContact O-C 3.48Å; Y186-V239 WeakPolarHBondContact O-CA 3.4Å; M217-V239 HydrophobicContact CE-CG1 4.19Å; L222-V239 HydrophobicContact CD1-CG2 4.14Å; L222-V239 HydrophobicContact CD2-CG1 4.39Å; L222-V239 HydrophobicContact CD2-CG2 4.43Å; V239-V241 HydrophobicContact CG1-CG2 4.41Å; V239-V257 HydrophobicContact CG1-CG1 4.19Å; V239-V266 HydrophobicContact CB-CG1 4.3Å; V239-V266 HydrophobicContact CG2-CG1 3.56Å; V239-W267 PolarHBondContact N-O 3.31Å; V239-L268 HydrophobicContact CB-CD1 4.34Å; V239-L268 HydrophobicContact CG1-CD1 4.06Å; V239-H269 PolarHBondContact O-N 3.05Å
240V98.9Very high98.5Very high0 Ų023.6 Ų23.60%016%0.163CC..EExtended strand (participates in β ladder)trans-103.6117.8168.4-174.70000110T152 Y186 V195 F238 H269 D271T152-V240 HydrophobicContact CG2-CG2 4.27Å; Y186-V240 PolarHBondContact O-N 2.92Å; V195-V240 HydrophobicContact CG1-CB 4.2Å; V195-V240 HydrophobicContact CG1-CG2 3.73Å; V195-V240 HydrophobicContact CG2-CB 4.32Å; V195-V240 HydrophobicContact CG2-CG1 3.97Å; V195-V240 HydrophobicContact CG2-CG2 4.3Å; F238-V240 HydrophobicContact CD1-CG2 3.97Å; F238-V240 HydrophobicContact CE1-CG2 3.21Å; F238-V240 HydrophobicContact CZ-CG2 3.84Å; V240-H269 CarbonylContact C-O 3.58Å; V240-H269 VanDerWaalsContact CA-O 3.31Å; V240-H269 WeakPolarHBondContact CA-O 3.22Å; V240-H269 HydrophobicContact CG2-CB 4.49Å; V240-D271 HydrophobicContact CG1-CB 4.16Å
241V98.8Very high98.5Very high0 Ų021 Ų210%015%0.151CC..EExtended strand (participates in β ladder)trans-95128.5166.91600000108.5M217 V239 L243 D252 L254 V257 L268 H269 I270 D271M217-V241 HydrophobicContact CE-CG2 3.63Å; V239-V241 HydrophobicContact CG1-CG2 4.41Å; V241-L243 HydrophobicContact CG1-CD2 4.06Å; V241-L243 HydrophobicContact CG1-CG 4.42Å; V241-D252 HydrophobicContact CB-CB 4.48Å; V241-D252 HydrophobicContact CG1-CB 3.84Å; V241-L254 HydrophobicContact CB-CD1 4.41Å; V241-L254 HydrophobicContact CG1-CB 4.25Å; V241-L254 HydrophobicContact CG1-CD1 3.97Å; V241-L254 HydrophobicContact CG2-CD1 4.38Å; V241-V257 HydrophobicContact CG2-CB 4.16Å; V241-V257 HydrophobicContact CG2-CG1 3.55Å; V241-L268 HydrophobicContact CB-CD1 4.13Å; V241-L268 HydrophobicContact CG2-CD1 3.62Å; V241-H269 PolarHBondContact N-O 3.38Å; V241-I270 CarbonylContact O-C 3.54Å; V241-I270 WeakPolarHBondContact O-CA 3.25Å; V241-D271 PolarHBondContact O-N 3.49Å
242T98.9Very high98.5Very high4 Ų416.7 Ų16.73%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-103.1123178.9-49.50000110.8T245 D252 D271T242-T245 HydrophobicContact CG2-CG2 3.75Å; T242-D252 PolarHBondContact N-OD2 3.02Å; T242-D252 PolarHBondContact O-N 3.3Å; T242-D271 WeakPolarHBondContact CA-O 3.44Å
243L98.9Very high98.5Very high1 Ų114.9 Ų14.91%0.00510%0.096CC..BIsolated β-bridgetrans-106.6102.5172.6-57.9-177.8000108.8V241 F251 L254 I270 D271 A272 A275 F279 L288V241-L243 HydrophobicContact CG1-CD2 4.06Å; V241-L243 HydrophobicContact CG1-CG 4.42Å; L243-F251 HydrophobicContact CB-CD1 3.89Å; L243-F251 HydrophobicContact CB-CE1 4.27Å; L243-F251 HydrophobicContact CD2-CB 4.45Å; L243-F251 HydrophobicContact CD2-CD1 4.2Å; L243-L254 HydrophobicContact CD1-CD2 4.39Å; L243-I270 HydrophobicContact CD1-CG2 3.63Å; L243-I270 HydrophobicContact CG-CG2 3.81Å; L243-D271 PolarHBondContact N-O 3.36Å; L243-A272 HydrophobicContact CB-CB 4.05Å; L243-A272 WeakPolarHBondContact O-CA 3.24Å; L243-A275 WeakPolarHBondContact O-CB 3.44Å; L243-F279 HydrophobicContact CB-CZ 4.25Å; L243-F279 HydrophobicContact CD1-CE2 4.12Å; L243-F279 HydrophobicContact CD1-CZ 4.23Å; L243-L288 HydrophobicContact CD1-CD1 3.75Å
244G98.5Very high98.5Very high6 Ų613.2 Ų13.26%0.0628%0.077CC..SBendtrans8767.8-172.300000112.3S250G244-S250 CarbonylContact C-O 3.28Å; G244-S250 WeakPolarHBondContact CA-O 3.48Å; G244-S250 PolarHBondContact N-O 3.1Å
245T98.7Very high98.5Very high0 Ų015.8 Ų15.80%09%0.091CC..  trans-55.6155.3178620000112.9Q190 T242 C249 S250Q190-T245 HydrophobicContact CB-CG2 3.69Å; T242-T245 HydrophobicContact CG2-CG2 3.75Å; T245-C249 WeakPolarHBondContact O-CA 3.4Å; T245-C249 PolarHBondContact O-N 3.48Å; T245-C249 PolarHBondContact OG1-N 2.73Å; T245-S250 WeakPolarHBondContact CG2-OG 3.21Å; T245-S250 PolarHBondContact N-O 3.02Å; T245-S250 PolarHBondContact OG1-N 2.88Å; T245-S250 PolarHBondContact OG1-OG 3.43Å
246T97.6Very high98.5Very high45 Ų4517 Ų1728%0.27610%0.096SC..THydrogen-bonded Turntrans-67.7-43.2-174-59.50000112.1H192 R447H192-T246 PolarHBondContact CD2-OG1 2.91Å; H192-T246 VanDerWaalsContact CD2-OG1 3.3Å; T246-R447 VanDerWaalsContact O-CZ 3.31Å; T246-R447 PolarHBondContact O-NE 2.84Å; T246-R447 PolarHBondContact O-NH2 3.15Å
247S97.1Very high98.5Very high30 Ų3016 Ų1621%0.219%0.089CC..THydrogen-bonded Turntrans-65.5-53.5-173.4-60.30000111.9C410 C438 R447S247-C410 PolarHBondContact O-SG 3.09Å; S247-C438 PolarHBondContact O-SG 2.78Å; S247-R447 WeakPolarHBondContact O-CD 3.38Å; S247-R447 PolarHBondContact O-NE 3.2Å
248C97.7Very high98.5Very high4 Ų416 Ų163%0.0279%0.089CC..THydrogen-bonded Turntrans-133.28.9-171.857.20000115.8S250 T402 L440C248-S250 PolarHBondContact O-N 3.39Å; C248-T402 HydrophobicContact CB-CG2 3.71Å; C248-L440 HydrophobicContact CB-CD1 4.12Å; C248-L440 HydrophobicContact CB-CD2 3.77Å
249C98.5Very high98.4Very high7 Ų718.6 Ų18.65%0.04711%0.106CC..  trans56.738.7-176.8-159.70000112.5F80 T245 F251 L408F80-C249 HydrophobicContact CZ-CB 4.39Å; T245-C249 WeakPolarHBondContact O-CA 3.4Å; T245-C249 PolarHBondContact O-N 3.48Å; T245-C249 PolarHBondContact OG1-N 2.73Å; C249-F251 WeakPolarHBondContact O-CD2 3.38Å; C249-F251 WeakPolarHBondContact O-CE2 3.27Å; C249-L408 HydrophobicContact CB-CB 4.11Å; C249-L408 HydrophobicContact CB-CD2 3.75Å; C249-L408 HydrophobicContact CB-CG 4.46Å
250S98.4Very high98.4Very high10 Ų1019.7 Ų19.77%0.0711%0.111CC..  trans-76.2166.5169.164.50000111.5N214 F215 G244 T245 C248N214-S250 WeakPolarHBondContact O-CB 3.09Å; F215-S250 VanDerWaalsContact O-CB 3.3Å; F215-S250 WeakPolarHBondContact O-CB 3.3Å; F215-S250 PolarHBondContact O-OG 3.45Å; G244-S250 CarbonylContact C-O 3.28Å; G244-S250 WeakPolarHBondContact CA-O 3.48Å; G244-S250 PolarHBondContact N-O 3.1Å; T245-S250 WeakPolarHBondContact CG2-OG 3.21Å; T245-S250 PolarHBondContact N-O 3.02Å; T245-S250 PolarHBondContact OG1-N 2.88Å; T245-S250 PolarHBondContact OG1-OG 3.43Å; C248-S250 PolarHBondContact O-N 3.39Å
251F98.8Very high98.4Very high25 Ų2519.7 Ų19.711%0.1111%0.111CC..BIsolated β-bridgetrans-128.5119.4-176.2-63.6-97.8000109.2S216 L243 C249 A275 F279 L287 I405 L406S216-F251 WeakPolarHBondContact CB-O 3.47Å; S216-F251 PolarHBondContact OG-O 2.93Å; L243-F251 HydrophobicContact CB-CD1 3.89Å; L243-F251 HydrophobicContact CB-CE1 4.27Å; L243-F251 HydrophobicContact CD2-CB 4.45Å; L243-F251 HydrophobicContact CD2-CD1 4.2Å; C249-F251 WeakPolarHBondContact O-CD2 3.38Å; C249-F251 WeakPolarHBondContact O-CE2 3.27Å; F251-A275 HydrophobicContact CE1-CB 3.72Å; F251-A275 HydrophobicContact CZ-CB 3.97Å; F251-F279 HydrophobicContact CE1-CZ 4.34Å; F251-L287 HydrophobicContact CD1-CB 4.04Å; F251-L287 HydrophobicContact CD1-CD2 4.05Å; F251-L287 HydrophobicContact CD1-CG 4.42Å; F251-L287 HydrophobicContact CD2-CD2 4.02Å; F251-L287 HydrophobicContact CE1-CB 3.98Å; F251-L287 HydrophobicContact CE1-CD1 3.86Å; F251-L287 HydrophobicContact CE1-CD2 4.2Å; F251-L287 HydrophobicContact CE1-CG 4.23Å; F251-L287 HydrophobicContact CE2-CD1 4.24Å; F251-L287 HydrophobicContact CE2-CD2 4.17Å; F251-L287 HydrophobicContact CG-CD2 3.99Å; F251-L287 HydrophobicContact CZ-CD1 3.72Å; F251-L287 HydrophobicContact CZ-CD2 4.28Å; F251-L287 HydrophobicContact CZ-CG 4.44Å; F251-I405 HydrophobicContact CD2-CD1 3.71Å; F251-I405 HydrophobicContact CE2-CB 4.19Å; F251-I405 HydrophobicContact CE2-CD1 3.65Å; F251-I405 HydrophobicContact CE2-CG2 4.01Å; F251-I405 HydrophobicContact CZ-CG2 4.45Å; F251-L406 HydrophobicContact CZ-CD1 3.82Å; F251-L406 HydrophobicContact CZ-CG 4.43Å
252D98.8Very high98.3Very high4 Ų423.6 Ų23.62%0.02113%0.132CC..  trans-62.6145.4170.8-67.5-28.9000110.1S188 S216 M217 V241 T242 L254S188-D252 WeakPolarHBondContact CB-OD2 3.44Å; S188-D252 PolarHBondContact OG-OD1 2.86Å; S216-D252 WeakPolarHBondContact OG-CA 3.25Å; M217-D252 HydrophobicContact CB-CB 3.97Å; M217-D252 WeakPolarHBondContact CB-OD1 3.48Å; M217-D252 HydrophobicContact CE-CB 4.36Å; M217-D252 PolarHBondContact N-OD1 3.2Å; V241-D252 HydrophobicContact CB-CB 4.48Å; V241-D252 HydrophobicContact CG1-CB 3.84Å; T242-D252 PolarHBondContact N-OD2 3.02Å; T242-D252 PolarHBondContact O-N 3.3Å; D252-L254 PolarHBondContact O-N 3.23Å
253N98.4Very high98.3Very high35 Ų3530.5 Ų30.519%0.18717%0.168CC..  trans-79.588.6-175.4-169-19.8000111.5S216 M217 R218 L255 E256 V257S216-N253 PolarHBondContact OG-N 3.26Å; M217-N253 PolarHBondContact O-N 3.36Å; R218-N253 PolarHBondContact NH1-ND2 2.83Å; R218-N253 PolarHBondContact NH2-ND2 2.93Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.24Å; N253-L255 PolarHBondContact OD1-N 3.12Å; N253-E256 HydrophobicContact CB-CB 4.15Å; N253-E256 HydrophobicContact CB-CG 4.47Å; N253-E256 WeakPolarHBondContact ND2-CG 3.28Å; N253-E256 PolarHBondContact ND2-OE1 2.98Å; N253-E256 PolarHBondContact O-N 2.92Å; N253-E256 VanDerWaalsContact O-N 3.16Å; N253-E256 PolarHBondContact OD1-N 3.43Å; N253-V257 WeakPolarHBondContact O-CB 3.34Å; N253-V257 WeakPolarHBondContact O-CG2 3.37Å; N253-V257 PolarHBondContact O-N 3.46Å
254L98.1Very high98.2Very high5 Ų533.6 Ų33.63%0.02618%0.182CC..Hα-helixtrans-63.4-33.2-177.9-176.759.7000113.8V241 L243 D252 E256 G258 L268 I270 G290V241-L254 HydrophobicContact CB-CD1 4.41Å; V241-L254 HydrophobicContact CG1-CB 4.25Å; V241-L254 HydrophobicContact CG1-CD1 3.97Å; V241-L254 HydrophobicContact CG2-CD1 4.38Å; L243-L254 HydrophobicContact CD1-CD2 4.39Å; D252-L254 PolarHBondContact O-N 3.23Å; L254-E256 PolarHBondContact O-N 3.01Å; L254-G258 WeakPolarHBondContact O-CA 3.49Å; L254-G258 PolarHBondContact O-N 3.3Å; L254-L268 HydrophobicContact CD1-CD2 3.78Å; L254-I270 HydrophobicContact CD1-CD1 3.91Å; L254-I270 HydrophobicContact CD1-CG1 4.14Å; L254-I270 HydrophobicContact CD2-CD1 3.44Å; L254-I270 VanDerWaalsContact CD2-CD1 3.44Å; L254-I270 HydrophobicContact CD2-CG1 4.34Å; L254-I270 HydrophobicContact CG-CD1 4.34Å; L254-G290 VanDerWaalsContact CD2-C 3.41Å
255L98.4Very high98.1Very high92 Ų9236.1 Ų36.148%0.48221%0.208SC..Hα-helixtrans-67-26.6176.4-74.1173.9000112.7N253 P259 N289N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.24Å; N253-L255 PolarHBondContact OD1-N 3.12Å; L255-P259 VanDerWaalsContact O-CD 3.23Å; L255-P259 WeakPolarHBondContact O-CD 3.39Å; L255-P259 WeakPolarHBondContact O-CG 3.44Å; L255-N289 HydrophobicContact CD1-CB 4.03Å; L255-N289 HydrophobicContact CD2-CB 4.13Å; L255-N289 HydrophobicContact CG-CB 4.11Å
256E98.2Very high98.1Very high69 Ų6936.2 Ų36.232%0.32221%0.209SC..Hα-helixtrans-88.3-46.2175.6-79.9-177.3-170.500112.3R218 A219 N253 L254R218-E256 IonicContact CZ-OE1 3.19Å; R218-E256 IonicContact CZ-OE2 3.78Å; R218-E256 VanDerWaalsContact CZ-OE2 3.31Å; R218-E256 IonicContact NE-OE1 3.97Å; R218-E256 IonicContact NE-OE2 2.54Å; R218-E256 PolarHBondContact NE-OE2 3.12Å; R218-E256 IonicContact NH2-OE1 2.93Å; R218-E256 PolarHBondContact NH2-OE1 2.82Å; R218-E256 IonicContact NH2-OE2 2.83Å; R218-E256 PolarHBondContact NH2-OE2 3Å; A219-E256 HydrophobicContact CB-CB 3.7Å; A219-E256 HydrophobicContact CB-CG 4.36Å; A219-E256 PolarHBondContact N-OE2 2.78Å; N253-E256 HydrophobicContact CB-CB 4.15Å; N253-E256 HydrophobicContact CB-CG 4.47Å; N253-E256 WeakPolarHBondContact ND2-CG 3.28Å; N253-E256 PolarHBondContact ND2-OE1 2.98Å; N253-E256 PolarHBondContact O-N 2.92Å; N253-E256 VanDerWaalsContact O-N 3.16Å; N253-E256 PolarHBondContact OD1-N 3.43Å; L254-E256 PolarHBondContact O-N 3.01Å
257V98.6Very high98.2Very high0 Ų034.5 Ų34.50%020%0.198CC..Hα-helixtrans-74.6-38.5-174.9168.10000111.9M217 L222 V239 V241 N253 I260 C261 L268M217-V257 HydrophobicContact CE-CG1 4.16Å; M217-V257 HydrophobicContact CE-CG2 4.17Å; M217-V257 HydrophobicContact CG-CG2 4.43Å; L222-V257 HydrophobicContact CD2-CB 4.37Å; L222-V257 HydrophobicContact CD2-CG1 3.57Å; L222-V257 HydrophobicContact CD2-CG2 4.29Å; V239-V257 HydrophobicContact CG1-CG1 4.19Å; V241-V257 HydrophobicContact CG2-CB 4.16Å; V241-V257 HydrophobicContact CG2-CG1 3.55Å; N253-V257 WeakPolarHBondContact O-CB 3.34Å; N253-V257 WeakPolarHBondContact O-CG2 3.37Å; N253-V257 PolarHBondContact O-N 3.46Å; V257-I260 WeakPolarHBondContact O-CB 3.49Å; V257-I260 PolarHBondContact O-N 2.85Å; V257-I260 VanDerWaalsContact O-N 3.17Å; V257-C261 PolarHBondContact O-N 2.95Å; V257-C261 VanDerWaalsContact O-N 3.11Å; V257-L268 HydrophobicContact CG1-CD1 4.42Å
258G98.5Very high98.3Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-57.1-50-175.700000114.6L254 I260 C261 N262L254-G258 WeakPolarHBondContact O-CA 3.49Å; L254-G258 PolarHBondContact O-N 3.3Å; G258-I260 VanDerWaalsContact C-N 3.27Å; G258-I260 PolarHBondContact O-N 3.43Å; G258-C261 PolarHBondContact O-N 3.17Å; G258-N262 PolarHBondContact O-N 3.1Å; G258-N262 VanDerWaalsContact O-N 3.08Å
259P98.6Very high98.3Very high54 Ų5432.9 Ų32.935%0.35119%0.186SC..Hα-helixtrans-57-37.3175.5-27.935.6000113.9L255 N262 L263 F293L255-P259 VanDerWaalsContact O-CD 3.23Å; L255-P259 WeakPolarHBondContact O-CD 3.39Å; L255-P259 WeakPolarHBondContact O-CG 3.44Å; P259-N262 PolarHBondContact O-N 3.18Å; P259-L263 WeakPolarHBondContact O-CB 3.31Å; P259-L263 PolarHBondContact O-N 3.06Å; P259-F293 HydrophobicContact CG-CD2 4.46Å; P259-F293 HydrophobicContact CG-CE1 4.01Å; P259-F293 HydrophobicContact CG-CE2 3.94Å; P259-F293 HydrophobicContact CG-CZ 3.72Å
260I98.3Very high98.4Very high22 Ų2232.6 Ų32.611%0.11318%0.184CC..Hα-helixtrans-64.9-49.4177.5-64.5169.1000109.8A219 L222 Q223 L226 V257 G258 N262 L263 E264A219-I260 HydrophobicContact CB-CD1 3.39Å; L222-I260 HydrophobicContact CD2-CG2 4.45Å; Q223-I260 HydrophobicContact CB-CD1 4.31Å; L226-I260 HydrophobicContact CD1-CG2 3.58Å; V257-I260 WeakPolarHBondContact O-CB 3.49Å; V257-I260 PolarHBondContact O-N 2.85Å; V257-I260 VanDerWaalsContact O-N 3.17Å; G258-I260 VanDerWaalsContact C-N 3.27Å; G258-I260 PolarHBondContact O-N 3.43Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3Å; I260-L263 PolarHBondContact O-N 3Å; I260-E264 HydrophobicContact CG2-CG 4.09Å; I260-E264 VanDerWaalsContact O-CB 3.31Å; I260-E264 WeakPolarHBondContact O-CB 3.49Å; I260-E264 WeakPolarHBondContact O-CG 3.24Å; I260-E264 PolarHBondContact O-N 2.79Å
261C98.6Very high98.4Very high0 Ų032.4 Ų32.40%018%0.183CC..Hα-helixtrans-57.3-44.1178.9-66.20000112V257 G258 E264 G265 V266 L268V257-C261 PolarHBondContact O-N 2.95Å; V257-C261 VanDerWaalsContact O-N 3.11Å; G258-C261 PolarHBondContact O-N 3.17Å; C261-E264 PolarHBondContact O-N 3.28Å; C261-G265 PolarHBondContact O-N 2.9Å; C261-V266 PolarHBondContact O-N 3.5Å; C261-L268 HydrophobicContact CB-CB 3.97Å; C261-L268 HydrophobicContact CB-CD2 4.44Å
262N97.6Very high98.4Very high82 Ų8231.2 Ų31.244%0.43918%0.177SC..Hα-helixtrans-64.2-44.6176.5-90.75.6000113.1G258 P259 I260 E264 G265 F293G258-N262 PolarHBondContact O-N 3.1Å; G258-N262 VanDerWaalsContact O-N 3.08Å; P259-N262 PolarHBondContact O-N 3.18Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3Å; N262-E264 VanDerWaalsContact C-N 3.28Å; N262-E264 PolarHBondContact O-N 3.38Å; N262-G265 PolarHBondContact O-N 3.48Å; N262-F293 WeakPolarHBondContact ND2-CD1 3.44Å; N262-F293 PolarHBondContact OD1-O 3.02Å
263L97.7Very high98.4Very high149 Ų14931.4 Ų31.478%0.7818%0.18SC*.Hα-helixtrans-62-39.1178.8179.764000111.6P259 I260 G265P259-L263 WeakPolarHBondContact O-CB 3.31Å; P259-L263 PolarHBondContact O-N 3.06Å; I260-L263 PolarHBondContact O-N 3Å; L263-G265 VanDerWaalsContact C-N 3.34Å
264E97.4Very high98.4Very high66 Ų6629.8 Ų29.831%0.30817%0.171SC..Hα-helixtrans-86.3-4.9-176.6-62.9-71-173.500113.3L226 K230 I260 C261 N262 V266L226-E264 HydrophobicContact CD1-CG 4.21Å; K230-E264 IonicContact NZ-OE1 2.69Å; K230-E264 PolarHBondContact NZ-OE1 2.97Å; K230-E264 IonicContact NZ-OE2 2.66Å; K230-E264 PolarHBondContact NZ-OE2 2.83Å; I260-E264 HydrophobicContact CG2-CG 4.09Å; I260-E264 VanDerWaalsContact O-CB 3.31Å; I260-E264 WeakPolarHBondContact O-CB 3.49Å; I260-E264 WeakPolarHBondContact O-CG 3.24Å; I260-E264 PolarHBondContact O-N 2.79Å; C261-E264 PolarHBondContact O-N 3.28Å; N262-E264 VanDerWaalsContact C-N 3.28Å; N262-E264 PolarHBondContact O-N 3.38Å; E264-V266 HydrophobicContact CB-CG2 3.79Å; E264-V266 PolarHBondContact O-N 2.92Å
265G97.1Very high98.4Very high59 Ų5929.6 Ų29.661%0.60817%0.17SC*.THydrogen-bonded Turntrans64.925.9-176.100000113.8C261 N262 L263C261-G265 PolarHBondContact O-N 2.9Å; N262-G265 PolarHBondContact O-N 3.48Å; L263-G265 VanDerWaalsContact C-N 3.34Å
266V98.6Very high98.5Very high2 Ų225.2 Ų25.21%0.01215%0.147CC..  trans-91.8131.3-179176.20000109.4P236 V239 C261 E264 L268P236-V266 HydrophobicContact CB-CG2 3.77Å; V239-V266 HydrophobicContact CB-CG1 4.3Å; V239-V266 HydrophobicContact CG2-CG1 3.56Å; C261-V266 PolarHBondContact O-N 3.5Å; E264-V266 HydrophobicContact CB-CG2 3.79Å; E264-V266 PolarHBondContact O-N 2.92Å; V266-L268 PolarHBondContact O-N 3.44Å
267W98.9Very high98.5Very high10 Ų1021.9 Ų21.94%0.03813%0.131CC..EExtended strand (participates in β ladder)trans-62.3126178.8-177.2-64000110.9A158 A159 K162 F237 F238 V239 D295 S296 D321A158-W267 HydrophobicContact CB-CH2 4.11Å; A158-W267 HydrophobicContact CB-CZ3 4.42Å; A159-W267 HydrophobicContact CB-CB 3.55Å; A159-W267 HydrophobicContact CB-CD2 3.6Å; A159-W267 HydrophobicContact CB-CE3 3.66Å; A159-W267 HydrophobicContact CB-CG 3.57Å; K162-W267 HydrophobicContact CD-CE3 4.12Å; K162-W267 HydrophobicContact CD-CZ3 4.02Å; F237-W267 VanDerWaalsContact O-CB 3.3Å; F237-W267 WeakPolarHBondContact O-CB 3.45Å; F237-W267 PolarHBondContact O-N 3.26Å; F238-W267 CarbonylContact C-O 3.55Å; F238-W267 WeakPolarHBondContact CA-O 3.39Å; F238-W267 HydrophobicContact CD2-CB 3.93Å; F238-W267 AromaticContact CD2-CD1 3.5Å; F238-W267 VanDerWaalsContact CD2-CD1 3.5Å; F238-W267 AromaticContact CD2-CG 3.8Å; F238-W267 HydrophobicContact CD2-CG 3.8Å; F238-W267 AromaticContact CE2-CD1 3.42Å; F238-W267 VanDerWaalsContact CE2-CD1 3.42Å; F238-W267 HydrophobicContact CE2-CG 4.12Å; F238-W267 AromaticContact CE2-NE1 3.86Å; V239-W267 PolarHBondContact N-O 3.31Å; W267-D295 VanDerWaalsContact CA-OD2 3.29Å; W267-D295 WeakPolarHBondContact CA-OD2 3.47Å; W267-D295 HydrophobicContact CD2-CB 3.6Å; W267-D295 HydrophobicContact CE3-CB 4.17Å; W267-D295 HydrophobicContact CG-CB 3.9Å; W267-D295 HydrophobicContact CH2-CB 4.36Å; W267-D295 HydrophobicContact CZ2-CB 3.81Å; W267-S296 PolarHBondContact NE1-OG 2.98Å; W267-D321 HydrophobicContact CH2-CB 3.64Å; W267-D321 HydrophobicContact CZ3-CB 3.6Å; W267-D321 WeakPolarHBondContact CZ3-OD2 3.35Å
268L98.9Very high98.5Very high0 Ų021.9 Ų21.90%013%0.131CC..EExtended strand (participates in β ladder)trans-102.7113.1175.5-179.762.1000111.3V239 V241 L254 V257 C261 V266 F293 A294 D295 S296V239-L268 HydrophobicContact CB-CD1 4.34Å; V239-L268 HydrophobicContact CG1-CD1 4.06Å; V241-L268 HydrophobicContact CB-CD1 4.13Å; V241-L268 HydrophobicContact CG2-CD1 3.62Å; L254-L268 HydrophobicContact CD1-CD2 3.78Å; V257-L268 HydrophobicContact CG1-CD1 4.42Å; C261-L268 HydrophobicContact CB-CB 3.97Å; C261-L268 HydrophobicContact CB-CD2 4.44Å; V266-L268 PolarHBondContact O-N 3.44Å; L268-F293 HydrophobicContact CD2-CB 3.93Å; L268-A294 HydrophobicContact CD2-CB 4.41Å; L268-A294 HydrophobicContact CG-CB 4.38Å; L268-D295 PolarHBondContact N-OD2 3.03Å; L268-D295 PolarHBondContact O-N 3.39Å; L268-S296 PolarHBondContact O-N 2.62Å
269H98.9Very high98.5Very high0 Ų021.9 Ų21.90%013%0.131CC..EExtended strand (participates in β ladder)trans-104.2129.7171.9178.657000110.3T152 A155 F238 V239 V240 V241 S296 N298T152-H269 WeakPolarHBondContact CA-NE2 3.39Å; T152-H269 PolarHBondContact OG1-NE2 3.22Å; T152-H269 VanDerWaalsContact OG1-NE2 3.1Å; A155-H269 HydrophobicContact CB-CB 4.32Å; F238-H269 HydrophobicContact CE1-CB 4.45Å; F238-H269 HydrophobicContact CE2-CB 3.63Å; F238-H269 HydrophobicContact CZ-CB 3.49Å; F238-H269 VanDerWaalsContact CZ-CB 3.49Å; F238-H269 AromaticContact CZ-CG 3.98Å; V239-H269 PolarHBondContact O-N 3.05Å; V240-H269 CarbonylContact C-O 3.58Å; V240-H269 VanDerWaalsContact CA-O 3.31Å; V240-H269 WeakPolarHBondContact CA-O 3.22Å; V240-H269 HydrophobicContact CG2-CB 4.49Å; V241-H269 PolarHBondContact N-O 3.38Å; H269-S296 WeakPolarHBondContact CA-O 3.16Å; H269-S296 PolarHBondContact ND1-OG 2.85Å; H269-N298 PolarHBondContact CE1-OD1 2.92Å; H269-N298 PolarHBondContact NE2-OD1 2.97Å
270I98.9Very high98.5Very high0 Ų019.4 Ų19.40%012%0.115CC..EExtended strand (participates in β ladder)trans-101.4119.1172.9-61.8170.1000109.6V241 L243 L254 A272 V291 A294 S296 F297 N298V241-I270 CarbonylContact O-C 3.54Å; V241-I270 WeakPolarHBondContact O-CA 3.25Å; L243-I270 HydrophobicContact CD1-CG2 3.63Å; L243-I270 HydrophobicContact CG-CG2 3.81Å; L254-I270 HydrophobicContact CD1-CD1 3.91Å; L254-I270 HydrophobicContact CD1-CG1 4.14Å; L254-I270 HydrophobicContact CD2-CD1 3.44Å; L254-I270 VanDerWaalsContact CD2-CD1 3.44Å; L254-I270 HydrophobicContact CD2-CG1 4.34Å; L254-I270 HydrophobicContact CG-CD1 4.34Å; I270-A272 HydrophobicContact CG2-CB 4.37Å; I270-V291 HydrophobicContact CD1-CB 4.32Å; I270-V291 HydrophobicContact CD1-CG2 4.09Å; I270-A294 HydrophobicContact CD1-CB 3.49Å; I270-A294 VanDerWaalsContact CD1-CB 3.49Å; I270-A294 HydrophobicContact CG1-CB 3.86Å; I270-S296 PolarHBondContact N-O 3.05Å; I270-F297 HydrophobicContact CB-CB 4.47Å; I270-F297 HydrophobicContact CB-CD2 3.85Å; I270-F297 HydrophobicContact CD1-CD2 4.43Å; I270-F297 HydrophobicContact CG2-CD2 3.64Å; I270-F297 HydrophobicContact CG2-CE2 4.07Å; I270-F297 WeakPolarHBondContact O-CA 3.29Å; I270-N298 PolarHBondContact O-N 2.77Å; I270-N298 PolarHBondContact O-OD1 3.12Å
271D98.9Very high98.6Very high7 Ų718.3 Ų18.34%0.03711%0.109CC..EExtended strand (participates in β ladder)trans-95.6108.5165.6-176.39000110V240 V241 T242 L243 A273 N298V240-D271 HydrophobicContact CG1-CB 4.16Å; V241-D271 PolarHBondContact O-N 3.49Å; T242-D271 WeakPolarHBondContact CA-O 3.44Å; L243-D271 PolarHBondContact N-O 3.36Å; D271-A273 VanDerWaalsContact OD1-CB 3.28Å; D271-A273 WeakPolarHBondContact OD1-CB 2.99Å; D271-A273 PolarHBondContact OD1-N 3.32Å; D271-N298 PolarHBondContact OD1-ND2 3.38Å
272A98.9Very high98.6Very high0 Ų021.7 Ų21.70%013%0.131CC..  trans-115.430.4174.200000111.7L243 I270 Y274 A275 G276 F279 F297 N298 F299L243-A272 HydrophobicContact CB-CB 4.05Å; L243-A272 WeakPolarHBondContact O-CA 3.24Å; I270-A272 HydrophobicContact CG2-CB 4.37Å; A272-Y274 CarbonylContact O-C 3.29Å; A272-Y274 PolarHBondContact O-N 3.49Å; A272-A275 PolarHBondContact O-N 3.11Å; A272-G276 WeakPolarHBondContact O-CA 3.32Å; A272-G276 PolarHBondContact O-N 2.82Å; A272-F279 HydrophobicContact CB-CE2 4.08Å; A272-F297 HydrophobicContact CB-CD2 4.48Å; A272-F297 HydrophobicContact CB-CE2 3.58Å; A272-F297 HydrophobicContact CB-CZ 4.06Å; A272-N298 CarbonylContact C-O 3.56Å; A272-N298 WeakPolarHBondContact CA-O 3.41Å; A272-N298 WeakPolarHBondContact CB-O 3.17Å; A272-N298 PolarHBondContact N-O 2.92Å; A272-F299 HydrophobicContact CB-CB 4.2Å; A272-F299 WeakPolarHBondContact O-CB 3.32Å
273A98.8Very high98.6Very high8 Ų821.6 Ų21.67%0.06613%0.128CC..THydrogen-bonded Turntrans-37.7-48.6-17000000114.9A148 D271 N300 K303A148-A273 HydrophobicContact CB-CB 3.87Å; D271-A273 VanDerWaalsContact OD1-CB 3.28Å; D271-A273 WeakPolarHBondContact OD1-CB 2.99Å; D271-A273 PolarHBondContact OD1-N 3.32Å; A273-N300 WeakPolarHBondContact O-CB 3.43Å; A273-N300 PolarHBondContact O-N 2.87Å; A273-K303 HydrophobicContact CB-CD 4.25Å; A273-K303 WeakPolarHBondContact O-CD 3.27Å
274Y98.8Very high98.7Very high1 Ų115.7 Ų15.70%0.00410%0.096CC..THydrogen-bonded Turntrans-90.9-57177170.5-112000113F80 P81 A272 G276 W304 L406 G407F80-Y274 HydrophobicContact CB-CD2 4.11Å; F80-Y274 AromaticContact CD1-CD1 3.75Å; F80-Y274 HydrophobicContact CD1-CD1 3.75Å; F80-Y274 AromaticContact CD1-CD2 3.52Å; F80-Y274 HydrophobicContact CD1-CD2 3.52Å; F80-Y274 AromaticContact CD1-CE1 3.91Å; F80-Y274 HydrophobicContact CD1-CE1 3.91Å; F80-Y274 AromaticContact CD1-CE2 3.7Å; F80-Y274 HydrophobicContact CD1-CE2 3.7Å; F80-Y274 AromaticContact CD1-CG 3.54Å; F80-Y274 HydrophobicContact CD1-CG 3.54Å; F80-Y274 AromaticContact CD1-CZ 3.88Å; F80-Y274 HydrophobicContact CD2-CD2 4.43Å; F80-Y274 AromaticContact CD2-CG 3.99Å; F80-Y274 HydrophobicContact CD2-CG 3.99Å; F80-Y274 AromaticContact CE1-CD1 3.26Å; F80-Y274 HydrophobicContact CE1-CD1 3.26Å; F80-Y274 AromaticContact CE1-CD2 3.98Å; F80-Y274 HydrophobicContact CE1-CD2 3.98Å; F80-Y274 AromaticContact CE1-CE1 3.41Å; F80-Y274 HydrophobicContact CE1-CE1 3.41Å; F80-Y274 VanDerWaalsContact CE1-CE1 3.41Å; F80-Y274 HydrophobicContact CE1-CE2 4.11Å; F80-Y274 AromaticContact CE1-CG 3.56Å; F80-Y274 HydrophobicContact CE1-CG 3.56Å; F80-Y274 AromaticContact CE1-CZ 3.84Å; F80-Y274 HydrophobicContact CE2-CD1 4.07Å; F80-Y274 AromaticContact CE2-CG 3.95Å; F80-Y274 HydrophobicContact CE2-CG 3.95Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.8Å; F80-Y274 HydrophobicContact CG-CD2 3.8Å; F80-Y274 HydrophobicContact CG-CE2 4.39Å; F80-Y274 AromaticContact CG-CG 3.78Å; F80-Y274 HydrophobicContact CG-CG 3.78Å; F80-Y274 AromaticContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CD1 3.45Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CE1 4.02Å; F80-Y274 AromaticContact CZ-CG 3.77Å; F80-Y274 HydrophobicContact CZ-CG 3.77Å; P81-Y274 HydrophobicContact CG-CE2 4.08Å; A272-Y274 CarbonylContact O-C 3.29Å; A272-Y274 PolarHBondContact O-N 3.49Å; Y274-G276 VanDerWaalsContact C-N 3.26Å; Y274-G276 PolarHBondContact O-N 3Å; Y274-W304 HydrophobicContact CD2-CB 4.3Å; Y274-W304 HydrophobicContact CD2-CD2 4.37Å; Y274-W304 HydrophobicContact CD2-CE3 4.07Å; Y274-W304 HydrophobicContact CE1-CE3 4.27Å; Y274-W304 HydrophobicContact CE1-CZ3 4.07Å; Y274-W304 HydrophobicContact CE2-CB 4.2Å; Y274-W304 AromaticContact CE2-CD2 3.56Å; Y274-W304 HydrophobicContact CE2-CD2 3.56Å; Y274-W304 AromaticContact CE2-CE3 3.42Å; Y274-W304 HydrophobicContact CE2-CE3 3.42Å; Y274-W304 VanDerWaalsContact CE2-CE3 3.42Å; Y274-W304 AromaticContact CE2-CG 3.93Å; Y274-W304 HydrophobicContact CE2-CG 3.93Å; Y274-W304 AromaticContact CE2-CZ3 3.96Å; Y274-W304 HydrophobicContact CE2-CZ3 3.96Å; Y274-W304 AromaticContact CZ-CD2 3.98Å; Y274-W304 AromaticContact CZ-CE3 3.55Å; Y274-W304 AromaticContact CZ-CH2 3.95Å; Y274-W304 AromaticContact CZ-CZ3 3.55Å; Y274-W304 VanDerWaalsContact OH-CH2 3.27Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.46Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.1Å; Y274-W304 WeakPolarHBondContact OH-CZ3 3.42Å; Y274-L406 HydrophobicContact CE1-CB 4.28Å; Y274-L406 HydrophobicContact CE1-CD1 4.42Å; Y274-G407 WeakPolarHBondContact OH-CA 3.45Å; Y274-G407 PolarHBondContact OH-N 2.9Å; Y274-G407 VanDerWaalsContact OH-N 3.15Å
275A98.8Very high98.7Very high0 Ų014.2 Ų14.20%09%0.088CC..G310 helixtrans-70.4-20.1-169.900000113.8L243 F251 A272 S277 A278 F279 L406L243-A275 WeakPolarHBondContact O-CB 3.44Å; F251-A275 HydrophobicContact CE1-CB 3.72Å; F251-A275 HydrophobicContact CZ-CB 3.97Å; A272-A275 PolarHBondContact O-N 3.11Å; A275-S277 PolarHBondContact O-N 2.94Å; A275-S277 VanDerWaalsContact O-N 3.12Å; A275-A278 WeakPolarHBondContact O-CA 3.24Å; A275-A278 VanDerWaalsContact O-CB 3.26Å; A275-A278 WeakPolarHBondContact O-CB 3.41Å; A275-A278 PolarHBondContact O-N 3.36Å; A275-F279 HydrophobicContact CB-CE1 4.41Å; A275-F279 HydrophobicContact CB-CZ 4.05Å; A275-L406 HydrophobicContact CB-CD1 3.61Å
276G98.8Very high98.8Very high0 Ų017.5 Ų17.50%08%0.083CC..G310 helixtrans-56.8-30.5179.800000113.7L126 A272 Y274 A278 F279 F299L126-G276 VanDerWaalsContact CD2-O 3.24Å; L126-G276 WeakPolarHBondContact CD2-O 3.46Å; A272-G276 WeakPolarHBondContact O-CA 3.32Å; A272-G276 PolarHBondContact O-N 2.82Å; Y274-G276 VanDerWaalsContact C-N 3.26Å; Y274-G276 PolarHBondContact O-N 3Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 3.29Å; G276-F279 PolarHBondContact O-N 2.72Å; G276-F299 VanDerWaalsContact C-CD2 3.45Å
277S98.8Very high98.8Very high0 Ų018.5 Ų18.50%09%0.088CC..G310 helixtrans-61-36.3172.7-66.40000112.1A275 F279 I280 F299 W304 I378A275-S277 PolarHBondContact O-N 2.94Å; A275-S277 VanDerWaalsContact O-N 3.12Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.77Å; S277-I280 WeakPolarHBondContact O-CG1 3.36Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; S277-W304 WeakPolarHBondContact CB-O 3.2Å; S277-I378 WeakPolarHBondContact O-CD1 3.22Å
278A98.8Very high98.8Very high0 Ų018.2 Ų18.20%09%0.087CC..G310 helixtrans-67.7-24.3-177.200000113.3A275 G276 I280 C281 F284 W304 I378 L406A275-A278 WeakPolarHBondContact O-CA 3.24Å; A275-A278 VanDerWaalsContact O-CB 3.26Å; A275-A278 WeakPolarHBondContact O-CB 3.41Å; A275-A278 PolarHBondContact O-N 3.36Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 3.29Å; A278-I280 PolarHBondContact O-N 2.9Å; A278-I280 VanDerWaalsContact O-N 3.14Å; A278-C281 VanDerWaalsContact O-CB 3.29Å; A278-C281 WeakPolarHBondContact O-CB 3.42Å; A278-C281 PolarHBondContact O-N 3.48Å; A278-F284 HydrophobicContact CB-CB 4.14Å; A278-F284 HydrophobicContact CB-CD2 4Å; A278-F284 HydrophobicContact CB-CG 4.3Å; A278-W304 HydrophobicContact CB-CZ3 4.08Å; A278-I378 HydrophobicContact CB-CG2 4.21Å; A278-L406 HydrophobicContact CB-CD1 4.07Å; A278-L406 HydrophobicContact CB-CD2 3.78Å
279F98.8Very high98.7Very high0 Ų022.1 Ų22.10%011%0.108CC..G310 helixtrans-73.8-4.4-175.5-49.3-31.8000113.9L126 L243 F251 A272 A275 G276 S277 C281 R285 L287 L288 F297L126-F279 HydrophobicContact CD2-CB 3.79Å; L243-F279 HydrophobicContact CB-CZ 4.25Å; L243-F279 HydrophobicContact CD1-CE2 4.12Å; L243-F279 HydrophobicContact CD1-CZ 4.23Å; F251-F279 HydrophobicContact CE1-CZ 4.34Å; A272-F279 HydrophobicContact CB-CE2 4.08Å; A275-F279 HydrophobicContact CB-CE1 4.41Å; A275-F279 HydrophobicContact CB-CZ 4.05Å; G276-F279 PolarHBondContact O-N 2.72Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.77Å; F279-C281 PolarHBondContact O-N 3.11Å; F279-R285 PolarHBondContact O-NE 3.37Å; F279-R285 PolarHBondContact O-NH2 2.81Å; F279-L287 HydrophobicContact CD1-CB 4.47Å; F279-L287 HydrophobicContact CE1-CB 3.63Å; F279-L287 HydrophobicContact CE1-CD1 4.26Å; F279-L287 HydrophobicContact CZ-CB 4.18Å; F279-L288 HydrophobicContact CB-CD2 4.13Å; F279-L288 HydrophobicContact CD1-CB 4.43Å; F279-L288 HydrophobicContact CD2-CB 3.89Å; F279-L288 HydrophobicContact CD2-CD1 3.94Å; F279-L288 HydrophobicContact CD2-CD2 3.74Å; F279-L288 HydrophobicContact CD2-CG 4.06Å; F279-L288 HydrophobicContact CE2-CB 4.08Å; F279-L288 HydrophobicContact CE2-CD1 3.87Å; F279-L288 HydrophobicContact CE2-CD2 4.49Å; F279-L288 HydrophobicContact CE2-CG 4.35Å; F279-L288 HydrophobicContact CG-CB 4.09Å; F279-L288 HydrophobicContact CG-CD2 4.16Å; F279-L288 HydrophobicContact CZ-CB 4.44Å; F279-F297 HydrophobicContact CD2-CZ 4.48Å
280I98.8Very high98.7Very high1 Ų122.2 Ų22.21%0.00511%0.109CC..G310 helixtrans-70.6-19.9164.878172.5000111.8M125 L126 S277 A278 L305 L374 Q375 I378M125-I280 HydrophobicContact CB-CB 4.41Å; M125-I280 HydrophobicContact CB-CG2 4Å; L126-I280 HydrophobicContact CD2-CG2 3.88Å; S277-I280 WeakPolarHBondContact O-CG1 3.36Å; A278-I280 PolarHBondContact O-N 2.9Å; A278-I280 VanDerWaalsContact O-N 3.14Å; I280-L305 HydrophobicContact CD1-CD1 3.75Å; I280-L374 HydrophobicContact CD1-CB 3.59Å; I280-Q375 HydrophobicContact CD1-CG 4.09Å; I280-Q375 HydrophobicContact CG1-CG 3.92Å; I280-Q375 PolarHBondContact O-NE2 2.74Å; I280-I378 HydrophobicContact CD1-CD1 3.64Å; I280-I378 HydrophobicContact CG1-CD1 3.67Å
281C98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.112CC..SBendtrans-90.4120.3173.6-58.70000108.8A278 F279 E283 F284 R285A278-C281 VanDerWaalsContact O-CB 3.29Å; A278-C281 WeakPolarHBondContact O-CB 3.42Å; A278-C281 PolarHBondContact O-N 3.48Å; F279-C281 PolarHBondContact O-N 3.11Å; C281-E283 PolarHBondContact O-N 3.42Å; C281-E283 VanDerWaalsContact O-N 3.15Å; C281-F284 HydrophobicContact CB-CD2 3.64Å; C281-F284 HydrophobicContact CB-CE2 4.12Å; C281-F284 PolarHBondContact O-N 2.99Å; C281-F284 VanDerWaalsContact O-N 3.09Å; C281-R285 PolarHBondContact O-N 3.08Å
282P98.7Very high98.6Very high70 Ų7026.9 Ų26.946%0.45513%0.131SC..G310 helixtrans-54.8-35.8-176.5-28.335.9000114.4F284 R285P282-F284 PolarHBondContact O-N 3.26Å; P282-R285 WeakPolarHBondContact O-CB 3.22Å; P282-R285 PolarHBondContact O-N 3.44Å
283E98.8Very high98.6Very high81 Ų8129 Ų2938%0.37914%0.14SC..G310 helixtrans-68.2-16.5-178.766.5-88.2-153.900114.8C281 Y286 R379C281-E283 PolarHBondContact O-N 3.42Å; C281-E283 VanDerWaalsContact O-N 3.15Å; E283-Y286 VanDerWaalsContact O-CD1 3.32Å; E283-Y286 WeakPolarHBondContact O-CD1 3.48Å; E283-Y286 WeakPolarHBondContact O-CE1 3.31Å; E283-R379 IonicContact OE1-CZ 2.88Å; E283-R379 VanDerWaalsContact OE1-CZ 3.29Å; E283-R379 IonicContact OE1-NE 3.8Å; E283-R379 PolarHBondContact OE1-NE 3.32Å; E283-R379 IonicContact OE1-NH2 3.5Å; E283-R379 PolarHBondContact OE1-NH2 2.73Å; E283-R379 VanDerWaalsContact OE1-NH2 3.07Å; E283-R379 IonicContact OE2-CZ 3.7Å; E283-R379 IonicContact OE2-NE 3.34Å; E283-R379 IonicContact OE2-NH2 2.77Å; E283-R379 PolarHBondContact OE2-NH2 2.86Å
284F98.8Very high98.6Very high24 Ų2428.7 Ų28.711%0.10514%0.137CC..G310 helixtrans-104.1-6.6174.8-56.6-51.6000112.7A278 C281 P282 Y286 L287 I378 V382 L406A278-F284 HydrophobicContact CB-CB 4.14Å; A278-F284 HydrophobicContact CB-CD2 4Å; A278-F284 HydrophobicContact CB-CG 4.3Å; C281-F284 HydrophobicContact CB-CD2 3.64Å; C281-F284 HydrophobicContact CB-CE2 4.12Å; C281-F284 PolarHBondContact O-N 2.99Å; C281-F284 VanDerWaalsContact O-N 3.09Å; P282-F284 PolarHBondContact O-N 3.26Å; F284-Y286 PolarHBondContact O-N 2.87Å; F284-L287 HydrophobicContact CB-CD1 4.45Å; F284-L287 WeakPolarHBondContact O-CB 3.48Å; F284-L287 WeakPolarHBondContact O-CG 3.12Å; F284-L287 PolarHBondContact O-N 3.24Å; F284-I378 HydrophobicContact CD2-CG2 4.39Å; F284-I378 HydrophobicContact CE2-CG2 4.13Å; F284-V382 HydrophobicContact CE1-CG1 4.24Å; F284-V382 HydrophobicContact CE2-CG2 4.1Å; F284-V382 HydrophobicContact CZ-CB 4.12Å; F284-V382 HydrophobicContact CZ-CG1 3.86Å; F284-V382 HydrophobicContact CZ-CG2 3.86Å; F284-L406 HydrophobicContact CD1-CD2 3.93Å; F284-L406 HydrophobicContact CD2-CD2 4.29Å; F284-L406 HydrophobicContact CE1-CD2 4.2Å; F284-L406 HydrophobicContact CG-CD2 4Å
285R98.3Very high98.6Very high35 Ų3529.8 Ų29.813%0.13214%0.143CC..G310 helixtrans-69-20.5-172-164.6174.3-61.3133.9-10.3113.5M125 L126 E127 F279 C281 P282 L287 L288M125-R285 PolarHBondContact O-NH2 3.17Å; L126-R285 WeakPolarHBondContact O-CD 3.3Å; L126-R285 PolarHBondContact O-NE 3.02Å; E127-R285 IonicContact OE1-CZ 2.68Å; E127-R285 VanDerWaalsContact OE1-CZ 3.26Å; E127-R285 IonicContact OE1-NH1 2.87Å; E127-R285 PolarHBondContact OE1-NH1 2.98Å; E127-R285 IonicContact OE1-NH2 3.19Å; E127-R285 PolarHBondContact OE1-NH2 3.26Å; E127-R285 IonicContact OE2-CZ 3.89Å; E127-R285 IonicContact OE2-NE 3.29Å; E127-R285 IonicContact OE2-NH1 3.81Å; E127-R285 PolarHBondContact OE2-NH1 2.8Å; F279-R285 PolarHBondContact O-NE 3.37Å; F279-R285 PolarHBondContact O-NH2 2.81Å; C281-R285 PolarHBondContact O-N 3.08Å; P282-R285 WeakPolarHBondContact O-CB 3.22Å; P282-R285 PolarHBondContact O-N 3.44Å; R285-L287 PolarHBondContact O-N 3.37Å; R285-L287 VanDerWaalsContact O-N 3.09Å; R285-L288 WeakPolarHBondContact O-CB 3.24Å; R285-L288 PolarHBondContact O-N 2.96Å
286Y98.4Very high98.6Very high129 Ų12929.8 Ų29.851%0.50614%0.143SC..G310 helixtrans-57.5-25.3174.775.2-87.6000113E283 F284 L288 N289E283-Y286 VanDerWaalsContact O-CD1 3.32Å; E283-Y286 WeakPolarHBondContact O-CD1 3.48Å; E283-Y286 WeakPolarHBondContact O-CE1 3.31Å; F284-Y286 PolarHBondContact O-N 2.87Å; Y286-L288 PolarHBondContact O-N 2.93Å; Y286-N289 WeakPolarHBondContact O-CB 3.42Å; Y286-N289 PolarHBondContact O-N 3.01Å; Y286-N289 PolarHBondContact O-ND2 3.29Å
287L98.6Very high98.6Very high22 Ų2229.8 Ų29.812%0.11514%0.143CC..G310 helixtrans-69.7-14.5175.5-62.3166.1000113.1F251 F279 F284 R285 I405F251-L287 HydrophobicContact CD1-CB 4.04Å; F251-L287 HydrophobicContact CD1-CD2 4.05Å; F251-L287 HydrophobicContact CD1-CG 4.42Å; F251-L287 HydrophobicContact CD2-CD2 4.02Å; F251-L287 HydrophobicContact CE1-CB 3.98Å; F251-L287 HydrophobicContact CE1-CD1 3.86Å; F251-L287 HydrophobicContact CE1-CD2 4.2Å; F251-L287 HydrophobicContact CE1-CG 4.23Å; F251-L287 HydrophobicContact CE2-CD1 4.24Å; F251-L287 HydrophobicContact CE2-CD2 4.17Å; F251-L287 HydrophobicContact CG-CD2 3.99Å; F251-L287 HydrophobicContact CZ-CD1 3.72Å; F251-L287 HydrophobicContact CZ-CD2 4.28Å; F251-L287 HydrophobicContact CZ-CG 4.44Å; F279-L287 HydrophobicContact CD1-CB 4.47Å; F279-L287 HydrophobicContact CE1-CB 3.63Å; F279-L287 HydrophobicContact CE1-CD1 4.26Å; F279-L287 HydrophobicContact CZ-CB 4.18Å; F284-L287 HydrophobicContact CB-CD1 4.45Å; F284-L287 WeakPolarHBondContact O-CB 3.48Å; F284-L287 WeakPolarHBondContact O-CG 3.12Å; F284-L287 PolarHBondContact O-N 3.24Å; R285-L287 PolarHBondContact O-N 3.37Å; R285-L287 VanDerWaalsContact O-N 3.09Å; L287-I405 HydrophobicContact CD1-CG2 3.77Å; L287-I405 HydrophobicContact CD2-CG2 4.38Å
288L98.6Very high98.6Very high4 Ų429.8 Ų29.82%0.02114%0.143CC..G310 helixtrans-99.3-1.7176.3-171.359.9000112.5L128 L243 F279 R285 Y286 G290 V291 F297L128-L288 HydrophobicContact CD2-CD2 4.09Å; L243-L288 HydrophobicContact CD1-CD1 3.75Å; F279-L288 HydrophobicContact CB-CD2 4.13Å; F279-L288 HydrophobicContact CD1-CB 4.43Å; F279-L288 HydrophobicContact CD2-CB 3.89Å; F279-L288 HydrophobicContact CD2-CD1 3.94Å; F279-L288 HydrophobicContact CD2-CD2 3.74Å; F279-L288 HydrophobicContact CD2-CG 4.06Å; F279-L288 HydrophobicContact CE2-CB 4.08Å; F279-L288 HydrophobicContact CE2-CD1 3.87Å; F279-L288 HydrophobicContact CE2-CD2 4.49Å; F279-L288 HydrophobicContact CE2-CG 4.35Å; F279-L288 HydrophobicContact CG-CB 4.09Å; F279-L288 HydrophobicContact CG-CD2 4.16Å; F279-L288 HydrophobicContact CZ-CB 4.44Å; R285-L288 WeakPolarHBondContact O-CB 3.24Å; R285-L288 PolarHBondContact O-N 2.96Å; Y286-L288 PolarHBondContact O-N 2.93Å; L288-G290 PolarHBondContact O-N 3.44Å; L288-V291 HydrophobicContact CD1-CB 3.83Å; L288-V291 HydrophobicContact CD1-CG1 4.49Å; L288-V291 HydrophobicContact CD1-CG2 3.95Å; L288-V291 HydrophobicContact CD2-CG1 4.44Å; L288-V291 HydrophobicContact CG-CB 3.86Å; L288-V291 HydrophobicContact CG-CG1 3.98Å; L288-V291 HydrophobicContact CG-CG2 4.29Å; L288-V291 WeakPolarHBondContact O-CB 3.28Å; L288-V291 PolarHBondContact O-N 3.17Å; L288-V291 VanDerWaalsContact O-N 3.07Å; L288-F297 HydrophobicContact CD1-CD2 4.18Å; L288-F297 HydrophobicContact CD1-CE2 3.69Å; L288-F297 HydrophobicContact CD1-CZ 4.38Å
289N98.4Very high98.6Very high83 Ų8329.8 Ų29.844%0.44414%0.143SC..THydrogen-bonded Turntrans-56.1131.7179.5-72-8.7000110.9L255 Y286L255-N289 HydrophobicContact CD1-CB 4.03Å; L255-N289 HydrophobicContact CD2-CB 4.13Å; L255-N289 HydrophobicContact CG-CB 4.11Å; Y286-N289 WeakPolarHBondContact O-CB 3.42Å; Y286-N289 PolarHBondContact O-N 3.01Å; Y286-N289 PolarHBondContact O-ND2 3.29Å
290G98.3Very high98.6Very high1 Ų130 Ų301%0.0115%0.145CC..THydrogen-bonded Turntrans970.3-172.300000114.2L254 L288 E292 F293L254-G290 VanDerWaalsContact CD2-C 3.41Å; L288-G290 PolarHBondContact O-N 3.44Å; G290-E292 WeakPolarHBondContact CA-OE2 3.35Å; G290-E292 PolarHBondContact N-OE2 2.96Å; G290-E292 VanDerWaalsContact N-OE2 3.16Å; G290-E292 PolarHBondContact O-N 3.33Å; G290-E292 VanDerWaalsContact O-N 3.12Å; G290-F293 WeakPolarHBondContact O-CB 3.37Å; G290-F293 WeakPolarHBondContact O-CD2 3.47Å; G290-F293 PolarHBondContact O-N 3.21Å
291V98.6Very high98.6Very high11 Ų1130 Ų307%0.06714%0.144CC..G310 helixtrans-57.7-23.9175.164.10000113.1L128 P129 F132 I270 L288 F293 A294L128-V291 HydrophobicContact CD2-CG2 3.82Å; P129-V291 HydrophobicContact CG-CG1 4.1Å; F132-V291 HydrophobicContact CE2-CG2 4.24Å; I270-V291 HydrophobicContact CD1-CB 4.32Å; I270-V291 HydrophobicContact CD1-CG2 4.09Å; L288-V291 HydrophobicContact CD1-CB 3.83Å; L288-V291 HydrophobicContact CD1-CG1 4.49Å; L288-V291 HydrophobicContact CD1-CG2 3.95Å; L288-V291 HydrophobicContact CD2-CG1 4.44Å; L288-V291 HydrophobicContact CG-CB 3.86Å; L288-V291 HydrophobicContact CG-CG1 3.98Å; L288-V291 HydrophobicContact CG-CG2 4.29Å; L288-V291 WeakPolarHBondContact O-CB 3.28Å; L288-V291 PolarHBondContact O-N 3.17Å; L288-V291 VanDerWaalsContact O-N 3.07Å; V291-F293 PolarHBondContact O-N 2.81Å; V291-A294 WeakPolarHBondContact O-CB 3.45Å; V291-A294 PolarHBondContact O-N 2.89Å
292E97.8Very high98.6Very high95 Ų9530.6 Ų30.644%0.44415%0.147SC..G310 helixtrans-60.1-21.8172.167.5-85.7-159.400113.6P129 G290 K317P129-E292 HydrophobicContact CG-CB 4.21Å; G290-E292 WeakPolarHBondContact CA-OE2 3.35Å; G290-E292 PolarHBondContact N-OE2 2.96Å; G290-E292 VanDerWaalsContact N-OE2 3.16Å; G290-E292 PolarHBondContact O-N 3.33Å; G290-E292 VanDerWaalsContact O-N 3.12Å; E292-K317 PolarHBondContact O-NZ 3.38Å
293F98.6Very high98.6Very high45 Ų4529.2 Ų29.220%0.19713%0.134CC..G310 helixtrans-78.5-23.8174-59.5-65000112.4P259 N262 L268 G290 V291P259-F293 HydrophobicContact CG-CD2 4.46Å; P259-F293 HydrophobicContact CG-CE1 4.01Å; P259-F293 HydrophobicContact CG-CE2 3.94Å; P259-F293 HydrophobicContact CG-CZ 3.72Å; N262-F293 WeakPolarHBondContact ND2-CD1 3.44Å; N262-F293 PolarHBondContact OD1-O 3.02Å; L268-F293 HydrophobicContact CD2-CB 3.93Å; G290-F293 WeakPolarHBondContact O-CB 3.37Å; G290-F293 WeakPolarHBondContact O-CD2 3.47Å; G290-F293 PolarHBondContact O-N 3.21Å; V291-F293 PolarHBondContact O-N 2.81Å
294A98.6Very high98.6Very high0 Ų025.3 Ų25.30%012%0.116CC..  trans-70.7145.1-172.300000113.9F132 L268 I270 V291 K317F132-A294 HydrophobicContact CZ-CB 4.18Å; F132-A294 WeakPolarHBondContact CZ-O 3.41Å; L268-A294 HydrophobicContact CD2-CB 4.41Å; L268-A294 HydrophobicContact CG-CB 4.38Å; I270-A294 HydrophobicContact CD1-CB 3.49Å; I270-A294 VanDerWaalsContact CD1-CB 3.49Å; I270-A294 HydrophobicContact CG1-CB 3.86Å; V291-A294 WeakPolarHBondContact O-CB 3.45Å; V291-A294 PolarHBondContact O-N 2.89Å; A294-K317 WeakPolarHBondContact O-CE 3.45Å; A294-K317 PolarHBondContact O-NZ 3.01Å
295D98.8Very high98.6Very high24 Ų2424.2 Ų24.213%0.12811%0.111CC..SBendtrans-86.2-30.6167.2-66.5-78.7000111.2W267 L268 V316 K317W267-D295 VanDerWaalsContact CA-OD2 3.29Å; W267-D295 WeakPolarHBondContact CA-OD2 3.47Å; W267-D295 HydrophobicContact CD2-CB 3.6Å; W267-D295 HydrophobicContact CE3-CB 4.17Å; W267-D295 HydrophobicContact CG-CB 3.9Å; W267-D295 HydrophobicContact CH2-CB 4.36Å; W267-D295 HydrophobicContact CZ2-CB 3.81Å; L268-D295 PolarHBondContact N-OD2 3.03Å; L268-D295 PolarHBondContact O-N 3.39Å; D295-V316 CarbonylContact O-C 3.45Å; D295-V316 WeakPolarHBondContact O-CA 3.42Å; D295-K317 PolarHBondContact O-N 3.35Å
296S98.9Very high98.6Very high0 Ų022.6 Ų22.60%011%0.105CC..EExtended strand (participates in β ladder)trans-147.7152.3174.861.50000113.2A155 W267 L268 H269 I270 W315A155-S296 WeakPolarHBondContact CB-OG 3.02Å; W267-S296 PolarHBondContact NE1-OG 2.98Å; L268-S296 PolarHBondContact O-N 2.62Å; H269-S296 WeakPolarHBondContact CA-O 3.16Å; H269-S296 PolarHBondContact ND1-OG 2.85Å; I270-S296 PolarHBondContact N-O 3.05Å; S296-W315 CarbonylContact C-O 3.48Å; S296-W315 WeakPolarHBondContact CA-O 3.3Å; S296-W315 VanDerWaalsContact CB-O 3.28Å; S296-W315 WeakPolarHBondContact CB-O 3.44Å
297F98.8Very high98.6Very high0 Ų016.5 Ų16.50%08%0.081CC..EExtended strand (participates in β ladder)trans-140135.3-178166.6-98.5000109.2L126 L128 I270 A272 F279 L288 F299 M314 W315L126-F297 HydrophobicContact CD1-CE1 3.78Å; L126-F297 HydrophobicContact CD1-CZ 4.35Å; L128-F297 HydrophobicContact CD1-CD1 3.96Å; L128-F297 HydrophobicContact CD1-CE1 4.25Å; L128-F297 HydrophobicContact CD2-CD1 4.06Å; L128-F297 HydrophobicContact CD2-CE1 4.17Å; L128-F297 HydrophobicContact CD2-CG 4.48Å; I270-F297 HydrophobicContact CB-CB 4.47Å; I270-F297 HydrophobicContact CB-CD2 3.85Å; I270-F297 HydrophobicContact CD1-CD2 4.43Å; I270-F297 HydrophobicContact CG2-CD2 3.64Å; I270-F297 HydrophobicContact CG2-CE2 4.07Å; I270-F297 WeakPolarHBondContact O-CA 3.29Å; A272-F297 HydrophobicContact CB-CD2 4.48Å; A272-F297 HydrophobicContact CB-CE2 3.58Å; A272-F297 HydrophobicContact CB-CZ 4.06Å; F279-F297 HydrophobicContact CD2-CZ 4.48Å; L288-F297 HydrophobicContact CD1-CD2 4.18Å; L288-F297 HydrophobicContact CD1-CE2 3.69Å; L288-F297 HydrophobicContact CD1-CZ 4.38Å; F297-F299 AromaticContact CE1-CD1 3.79Å; F297-F299 HydrophobicContact CE1-CD1 3.79Å; F297-F299 HydrophobicContact CE1-CE1 4.47Å; F297-F299 HydrophobicContact CZ-CB 4.44Å; F297-F299 HydrophobicContact CZ-CD1 4.08Å; F297-M314 CarbonylContact O-C 3.56Å; F297-M314 WeakPolarHBondContact O-CA 3.43Å; F297-W315 HydrophobicContact CD1-CD2 4.45Å; F297-W315 AromaticContact CD1-CE3 3.57Å; F297-W315 HydrophobicContact CD1-CE3 3.57Å; F297-W315 AromaticContact CD1-CZ3 3.95Å; F297-W315 HydrophobicContact CD1-CZ3 3.95Å; F297-W315 AromaticContact CE1-CE3 3.99Å; F297-W315 HydrophobicContact CE1-CE3 3.99Å; F297-W315 AromaticContact CE1-CZ3 3.87Å; F297-W315 HydrophobicContact CE1-CZ3 3.87Å; F297-W315 PolarHBondContact N-O 2.94Å; F297-W315 PolarHBondContact O-N 2.88Å
298N98.9Very high98.5Very high0 Ų016.6 Ų16.60%08%0.082CC..EExtended strand (participates in β ladder)trans-130.4152.2170.476.5-91.9000112.9A148 A151 H269 I270 D271 A272 A313 M314A148-N298 WeakPolarHBondContact CB-ND2 3.01Å; A151-N298 HydrophobicContact CB-CB 3.8Å; H269-N298 PolarHBondContact CE1-OD1 2.92Å; H269-N298 PolarHBondContact NE2-OD1 2.97Å; I270-N298 PolarHBondContact O-N 2.77Å; I270-N298 PolarHBondContact O-OD1 3.12Å; D271-N298 PolarHBondContact OD1-ND2 3.38Å; A272-N298 CarbonylContact C-O 3.56Å; A272-N298 WeakPolarHBondContact CA-O 3.41Å; A272-N298 WeakPolarHBondContact CB-O 3.17Å; A272-N298 PolarHBondContact N-O 2.92Å; N298-A313 CarbonylContact C-O 3.46Å; N298-A313 WeakPolarHBondContact CA-O 3.06Å; N298-A313 WeakPolarHBondContact CB-O 3.05Å; N298-M314 HydrophobicContact CB-CB 4.34Å
299F98.8Very high98.4Very high0 Ų022.3 Ų22.30%011%0.107CC..EExtended strand (participates in β ladder)trans-151.8171.1157.282.7-75.1000111.5L122 L126 A272 G276 S277 F297 P301 L305 A313 W315L122-F299 HydrophobicContact CD1-CE1 4.41Å; L122-F299 HydrophobicContact CD1-CZ 3.89Å; L122-F299 HydrophobicContact CD2-CE1 3.77Å; L122-F299 HydrophobicContact CD2-CZ 3.65Å; L122-F299 HydrophobicContact CG-CE1 4.05Å; L122-F299 HydrophobicContact CG-CZ 3.98Å; L126-F299 HydrophobicContact CD1-CD1 4.24Å; L126-F299 HydrophobicContact CD1-CE1 3.65Å; L126-F299 HydrophobicContact CD1-CZ 4.4Å; L126-F299 HydrophobicContact CD2-CE1 4.43Å; A272-F299 HydrophobicContact CB-CB 4.2Å; A272-F299 WeakPolarHBondContact O-CB 3.32Å; G276-F299 VanDerWaalsContact C-CD2 3.45Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; F297-F299 AromaticContact CE1-CD1 3.79Å; F297-F299 HydrophobicContact CE1-CD1 3.79Å; F297-F299 HydrophobicContact CE1-CE1 4.47Å; F297-F299 HydrophobicContact CZ-CB 4.44Å; F297-F299 HydrophobicContact CZ-CD1 4.08Å; F299-P301 HydrophobicContact CE2-CG 4.12Å; F299-P301 HydrophobicContact CZ-CG 4.12Å; F299-P301 WeakPolarHBondContact O-CD 3.37Å; F299-L305 HydrophobicContact CE2-CD2 4.15Å; F299-L305 HydrophobicContact CZ-CD2 4.14Å; F299-A313 HydrophobicContact CD1-CB 4.37Å; F299-A313 HydrophobicContact CE1-CB 4.17Å; F299-A313 PolarHBondContact N-O 3.38Å; F299-A313 PolarHBondContact O-N 3.15Å; F299-W315 HydrophobicContact CD1-CH2 4.22Å; F299-W315 AromaticContact CD1-CZ3 3.8Å; F299-W315 HydrophobicContact CD1-CZ3 3.8Å; F299-W315 AromaticContact CE1-CH2 3.65Å; F299-W315 HydrophobicContact CE1-CH2 3.65Å; F299-W315 AromaticContact CE1-CZ3 3.72Å; F299-W315 HydrophobicContact CE1-CZ3 3.72Å
300N98.9Very high98.4Very high5 Ų519.6 Ų19.63%0.0279%0.092CC..  trans-107.2102.9-175.9-62.1-9.9000111.5A148 A273 H302 K303 S312A148-N300 WeakPolarHBondContact CB-OD1 3.37Å; A273-N300 WeakPolarHBondContact O-CB 3.43Å; A273-N300 PolarHBondContact O-N 2.87Å; N300-H302 VanDerWaalsContact CG-CE1 3.43Å; N300-H302 VanDerWaalsContact CG-NE2 3.33Å; N300-H302 PolarHBondContact ND2-CE1 2.88Å; N300-H302 PolarHBondContact ND2-NE2 3.19Å; N300-H302 PolarHBondContact O-N 3.35Å; N300-H302 VanDerWaalsContact O-N 3.12Å; N300-K303 HydrophobicContact CB-CB 3.95Å; N300-K303 HydrophobicContact CB-CD 4.05Å; N300-K303 HydrophobicContact CB-CG 3.72Å; N300-K303 PolarHBondContact O-N 2.83Å; N300-S312 PolarHBondContact OD1-OG 2.97Å
301P98.8Very high98.4Very high0 Ų019.6 Ų19.60%09%0.092CC..Hα-helixtrans-50.9-32161.4-29.434.4000112.8A83 L122 F299 K303 L305 V307 C311 A313A83-P301 WeakPolarHBondContact CB-O 3.47Å; L122-P301 HydrophobicContact CD2-CG 3.97Å; F299-P301 HydrophobicContact CE2-CG 4.12Å; F299-P301 HydrophobicContact CZ-CG 4.12Å; F299-P301 WeakPolarHBondContact O-CD 3.37Å; P301-K303 PolarHBondContact O-N 2.9Å; P301-L305 HydrophobicContact CB-CB 4.1Å; P301-L305 HydrophobicContact CB-CD2 4.19Å; P301-L305 HydrophobicContact CG-CD2 4.43Å; P301-L305 WeakPolarHBondContact O-CA 3.37Å; P301-L305 WeakPolarHBondContact O-CB 3.25Å; P301-L305 PolarHBondContact O-N 3.39Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 4Å; P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.28Å; P301-A313 HydrophobicContact CG-CB 3.95Å
302H98.6Very high98.4Very high13 Ų1319 Ų196%0.069%0.089CC..Hα-helixtrans-72-7.217572.6-116000116.4T82 A83 N300 V307 F309 C311T82-H302 CarbonylContact C-O 3.21Å; T82-H302 WeakPolarHBondContact CA-O 3.27Å; A83-H302 WeakPolarHBondContact CB-O 3.14Å; A83-H302 PolarHBondContact N-O 3.1Å; N300-H302 VanDerWaalsContact CG-CE1 3.43Å; N300-H302 VanDerWaalsContact CG-NE2 3.33Å; N300-H302 PolarHBondContact ND2-CE1 2.88Å; N300-H302 PolarHBondContact ND2-NE2 3.19Å; N300-H302 PolarHBondContact O-N 3.35Å; N300-H302 VanDerWaalsContact O-N 3.12Å; H302-V307 WeakPolarHBondContact CA-O 3.38Å; H302-F309 HydrophobicContact CB-CB 4.28Å; H302-F309 HydrophobicContact CB-CD2 4.45Å; H302-F309 AromaticContact CD2-CD2 3.68Å; H302-F309 AromaticContact CE1-CD2 3.92Å; H302-F309 AromaticContact CE1-CE2 3.98Å; H302-F309 AromaticContact CG-CD2 3.79Å; H302-F309 AromaticContact ND1-CD2 3.94Å; H302-F309 AromaticContact NE2-CD2 3.8Å; H302-F309 AromaticContact NE2-CE2 3.99Å; H302-C311 HydrophobicContact CB-CB 4.18Å; H302-C311 PolarHBondContact N-O 3.31Å; H302-C311 PolarHBondContact ND1-N 2.94Å; H302-C311 PolarHBondContact ND1-O 3.43Å
303K98.5Very high98.5Very high41 Ų4114.5 Ų14.518%0.1787%0.068CC..Hα-helixtrans-87.3-60.8170.2-78.6-176172.6178.80110.3F80 P81 A83 A273 N300 P301F80-K303 HydrophobicContact CB-CD 4.47Å; P81-K303 CarbonylContact C-O 3.56Å; P81-K303 WeakPolarHBondContact CB-O 3.43Å; P81-K303 CarbonylContact O-C 3.58Å; P81-K303 WeakPolarHBondContact O-CA 3.43Å; P81-K303 VanDerWaalsContact O-O 3.14Å; A83-K303 WeakPolarHBondContact CB-O 3.37Å; A83-K303 PolarHBondContact N-O 3.09Å; A273-K303 HydrophobicContact CB-CD 4.25Å; A273-K303 WeakPolarHBondContact O-CD 3.27Å; N300-K303 HydrophobicContact CB-CB 3.95Å; N300-K303 HydrophobicContact CB-CD 4.05Å; N300-K303 HydrophobicContact CB-CG 3.72Å; N300-K303 PolarHBondContact O-N 2.83Å; P301-K303 PolarHBondContact O-N 2.9Å
304W98.5Very high98.5Very high0 Ų012.4 Ų12.40%06%0.058CC..Hα-helixtrans-138.526.8-164.8-155.130.2000114.2P81 Y274 S277 A278 Y377 I378 H381 V382 L406P81-W304 HydrophobicContact CG-CG 4.45Å; Y274-W304 HydrophobicContact CD2-CB 4.3Å; Y274-W304 HydrophobicContact CD2-CD2 4.37Å; Y274-W304 HydrophobicContact CD2-CE3 4.07Å; Y274-W304 HydrophobicContact CE1-CE3 4.27Å; Y274-W304 HydrophobicContact CE1-CZ3 4.07Å; Y274-W304 HydrophobicContact CE2-CB 4.2Å; Y274-W304 AromaticContact CE2-CD2 3.56Å; Y274-W304 HydrophobicContact CE2-CD2 3.56Å; Y274-W304 AromaticContact CE2-CE3 3.42Å; Y274-W304 HydrophobicContact CE2-CE3 3.42Å; Y274-W304 VanDerWaalsContact CE2-CE3 3.42Å; Y274-W304 AromaticContact CE2-CG 3.93Å; Y274-W304 HydrophobicContact CE2-CG 3.93Å; Y274-W304 AromaticContact CE2-CZ3 3.96Å; Y274-W304 HydrophobicContact CE2-CZ3 3.96Å; Y274-W304 AromaticContact CZ-CD2 3.98Å; Y274-W304 AromaticContact CZ-CE3 3.55Å; Y274-W304 AromaticContact CZ-CH2 3.95Å; Y274-W304 AromaticContact CZ-CZ3 3.55Å; Y274-W304 VanDerWaalsContact OH-CH2 3.27Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.46Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.1Å; Y274-W304 WeakPolarHBondContact OH-CZ3 3.42Å; S277-W304 WeakPolarHBondContact CB-O 3.2Å; A278-W304 HydrophobicContact CB-CZ3 4.08Å; W304-Y377 AromaticContact CD1-CE1 3.7Å; W304-Y377 AromaticContact CD1-CZ 3.97Å; W304-I378 HydrophobicContact CH2-CG2 4.12Å; W304-I378 HydrophobicContact CZ2-CG2 4.37Å; W304-I378 HydrophobicContact CZ3-CG2 4.37Å; W304-H381 AromaticContact CD1-ND1 3.95Å; W304-H381 HydrophobicContact CZ2-CB 3.49Å; W304-H381 VanDerWaalsContact CZ2-CB 3.49Å; W304-H381 AromaticContact NE1-CE1 3.83Å; W304-H381 AromaticContact NE1-CG 3.49Å; W304-H381 AromaticContact NE1-ND1 3.07Å; W304-H381 PolarHBondContact NE1-ND1 2.77Å; W304-V382 HydrophobicContact CH2-CG2 3.82Å; W304-V382 HydrophobicContact CZ2-CG2 4.3Å; W304-L406 HydrophobicContact CH2-CB 4.04Å; W304-L406 HydrophobicContact CZ3-CB 4.16Å; W304-L406 HydrophobicContact CZ3-CD1 4.21Å; W304-L406 HydrophobicContact CZ3-CD2 4.49Å
305L98.4Very high98.5Very high0 Ų012.4 Ų12.40%06%0.058CC..SBendtrans-127.426.8178.3-155.465.6000114.2L122 I280 F299 P301 V307 F366 L374 I378L122-L305 HydrophobicContact CD1-CD2 3.84Å; I280-L305 HydrophobicContact CD1-CD1 3.75Å; F299-L305 HydrophobicContact CE2-CD2 4.15Å; F299-L305 HydrophobicContact CZ-CD2 4.14Å; P301-L305 HydrophobicContact CB-CB 4.1Å; P301-L305 HydrophobicContact CB-CD2 4.19Å; P301-L305 HydrophobicContact CG-CD2 4.43Å; P301-L305 WeakPolarHBondContact O-CA 3.37Å; P301-L305 WeakPolarHBondContact O-CB 3.25Å; P301-L305 PolarHBondContact O-N 3.39Å; L305-V307 PolarHBondContact O-N 3.45Å; L305-F366 HydrophobicContact CD2-CE1 3.88Å; L305-F366 HydrophobicContact CD2-CZ 4.2Å; L305-F366 HydrophobicContact CG-CE1 4.46Å; L305-L374 HydrophobicContact CD1-CB 4.34Å; L305-L374 HydrophobicContact CD1-CD1 4.28Å; L305-L374 HydrophobicContact CD1-CD2 4.5Å; L305-L374 HydrophobicContact CG-CD1 4.5Å; L305-I378 HydrophobicContact CD1-CD1 4.41Å
306L98.4Very high98.5Very high2 Ų211.3 Ų11.31%0.015%0.052CC..SBendtrans59.812174.7-59.2-179.2000116.7A83 S85 V365 Y369 L374 Y377 R453A83-L306 VanDerWaalsContact CB-N 3.27Å; S85-L306 WeakPolarHBondContact CB-O 3.45Å; S85-L306 PolarHBondContact OG-O 3.05Å; L306-V365 HydrophobicContact CB-CG1 4.23Å; L306-Y369 HydrophobicContact CB-CE2 4.36Å; L306-Y369 HydrophobicContact CD1-CD1 4.08Å; L306-Y369 HydrophobicContact CD1-CD2 4.34Å; L306-Y369 HydrophobicContact CD1-CE1 3.73Å; L306-Y369 HydrophobicContact CD1-CE2 4Å; L306-Y369 HydrophobicContact CD1-CG 4.37Å; L306-L374 HydrophobicContact CB-CD2 4.39Å; L306-L374 HydrophobicContact CD1-CD2 4.12Å; L306-L374 HydrophobicContact CG-CD2 4.49Å; L306-Y377 HydrophobicContact CD1-CD1 4.14Å; L306-Y377 HydrophobicContact CD1-CD2 4.22Å; L306-Y377 HydrophobicContact CD1-CG 3.96Å; L306-Y377 HydrophobicContact CD2-CD1 4.22Å; L306-Y377 HydrophobicContact CD2-CD2 4.1Å; L306-Y377 HydrophobicContact CD2-CE1 3.82Å; L306-Y377 HydrophobicContact CD2-CE2 3.67Å; L306-Y377 HydrophobicContact CD2-CG 4.34Å; L306-Y377 HydrophobicContact CG-CD1 3.92Å; L306-Y377 HydrophobicContact CG-CD2 4.42Å; L306-Y377 HydrophobicContact CG-CE1 3.9Å; L306-Y377 HydrophobicContact CG-CE2 4.38Å; L306-Y377 HydrophobicContact CG-CG 4.19Å; L306-R453 HydrophobicContact CD2-CB 4.3Å; L306-R453 HydrophobicContact CD2-CG 4.04Å
307V98.6Very high98.4Very high0 Ų013.1 Ų13.10%06%0.06CC..PPolyproline II helixtrans-92.6131.5170.5-175.60000108.2A83 P301 H302 L305 C311 K361 M362 V365A83-V307 VanDerWaalsContact CB-O 3.28Å; A83-V307 WeakPolarHBondContact CB-O 3.25Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 4Å; H302-V307 WeakPolarHBondContact CA-O 3.38Å; L305-V307 PolarHBondContact O-N 3.45Å; V307-C311 HydrophobicContact CG1-CB 3.72Å; V307-K361 HydrophobicContact CG1-CB 4.45Å; V307-K361 HydrophobicContact CG1-CD 3.61Å; V307-K361 HydrophobicContact CG1-CG 3.8Å; V307-M362 HydrophobicContact CG1-CG 4.26Å; V307-M362 HydrophobicContact CG2-CG 4.17Å; V307-V365 HydrophobicContact CG2-CB 4.14Å; V307-V365 HydrophobicContact CG2-CG1 4.11Å; V307-V365 HydrophobicContact CG2-CG2 4.09Å
308N96.8Very high98.2Very high25 Ų2517.4 Ų17.413%0.1348%0.079CC..PPolyproline II helixtrans-72.2156.218064.6-73000112.5A83 A88 D92 K361A83-N308 WeakPolarHBondContact O-CA 3.27Å; A88-N308 HydrophobicContact CB-CB 4.46Å; A88-N308 WeakPolarHBondContact CB-OD1 3.21Å; A88-N308 PolarHBondContact O-OD1 3.36Å; D92-N308 PolarHBondContact OD2-ND2 2.84Å; N308-K361 PolarHBondContact O-NZ 2.99Å; N308-K361 WeakPolarHBondContact OD1-CD 3.48Å
309F97.6Very high97.9Very high124 Ų12421.2 Ų21.254%0.5449%0.093SC..SBendtrans-61.9141.8174.9-175.1-88.6000111.6H302H302-F309 HydrophobicContact CB-CB 4.28Å; H302-F309 HydrophobicContact CB-CD2 4.45Å; H302-F309 AromaticContact CD2-CD2 3.68Å; H302-F309 AromaticContact CE1-CD2 3.92Å; H302-F309 AromaticContact CE1-CE2 3.98Å; H302-F309 AromaticContact CG-CD2 3.79Å; H302-F309 AromaticContact ND1-CD2 3.94Å; H302-F309 AromaticContact NE2-CD2 3.8Å; H302-F309 AromaticContact NE2-CE2 3.99Å
310D97.9Very high97.7Very high26 Ų2625.3 Ų25.314%0.13912%0.119CC..SBendcis-88.1143.7-5.564.7-42000112.9R356 R358 K361D310-R356 IonicContact OD1-CZ 3.62Å; D310-R356 IonicContact OD1-NE 2.75Å; D310-R356 PolarHBondContact OD1-NE 3.44Å; D310-R356 IonicContact OD1-NH2 2.84Å; D310-R356 PolarHBondContact OD1-NH2 3.25Å; D310-R356 IonicContact OD2-NE 3.59Å; D310-R358 IonicContact OD2-CZ 3.85Å; D310-R358 VanDerWaalsContact OD2-CZ 3.29Å; D310-R358 IonicContact OD2-NE 3.03Å; D310-R358 PolarHBondContact OD2-NE 3.05Å; D310-R358 IonicContact OD2-NH2 3.26Å; D310-R358 PolarHBondContact OD2-NH2 3.29Å; D310-K361 WeakPolarHBondContact O-CE 3.25Å; D310-K361 PolarHBondContact O-NZ 3.42Å
311C98.6Very high97.5Very high0 Ų026.1 Ų26.10%012%0.123CC..  trans-17291.7173.3-174.30000110.7P301 H302 V307P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.28Å; H302-C311 HydrophobicContact CB-CB 4.18Å; H302-C311 PolarHBondContact N-O 3.31Å; H302-C311 PolarHBondContact ND1-N 2.94Å; H302-C311 PolarHBondContact ND1-O 3.43Å; V307-C311 HydrophobicContact CG1-CB 3.72Å
312S98.8Very high97.4Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-112.6116.6177.9179.70000109.5I144 Q145 S147 A148 N300I144-S312 CarbonylContact C-O 3.51Å; I144-S312 WeakPolarHBondContact CA-O 3.01Å; Q145-S312 PolarHBondContact N-O 3.3Å; Q145-S312 WeakPolarHBondContact O-CB 3.15Å; Q145-S312 PolarHBondContact O-N 2.89Å; S147-S312 VanDerWaalsContact C-CB 3.41Å; S147-S312 PolarHBondContact O-OG 3Å; A148-S312 PolarHBondContact N-OG 2.97Å; N300-S312 PolarHBondContact OD1-OG 2.97Å
313A98.9Very high97.2Very high0 Ų027.1 Ų27.10%013%0.13CC..EExtended strand (participates in β ladder)trans-87125-177.500000109.3M119 L122 N298 F299 P301 W315M119-A313 HydrophobicContact CE-CB 3.83Å; M119-A313 HydrophobicContact SD-CB 4.14Å; L122-A313 HydrophobicContact CD2-CB 3.92Å; N298-A313 CarbonylContact C-O 3.46Å; N298-A313 WeakPolarHBondContact CA-O 3.06Å; N298-A313 WeakPolarHBondContact CB-O 3.05Å; F299-A313 HydrophobicContact CD1-CB 4.37Å; F299-A313 HydrophobicContact CE1-CB 4.17Å; F299-A313 PolarHBondContact N-O 3.38Å; F299-A313 PolarHBondContact O-N 3.15Å; P301-A313 HydrophobicContact CG-CB 3.95Å; A313-W315 HydrophobicContact CB-CE3 4.42Å; A313-W315 HydrophobicContact CB-CH2 3.47Å; A313-W315 VanDerWaalsContact CB-CH2 3.47Å; A313-W315 HydrophobicContact CB-CZ2 4.45Å; A313-W315 HydrophobicContact CB-CZ3 3.45Å; A313-W315 VanDerWaalsContact CB-CZ3 3.45Å
314M98.8Very high96.9Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-126.7133.8176.8178.1-176.2-179.700109.6G142 V143 Q145 A151 V154 A155 F297 N298 V316 L322G142-M314 CarbonylContact C-O 3.6Å; G142-M314 WeakPolarHBondContact CA-O 3.46Å; V143-M314 HydrophobicContact CG1-CB 4.24Å; V143-M314 PolarHBondContact N-O 3.28Å; V143-M314 PolarHBondContact O-N 3.43Å; Q145-M314 HydrophobicContact CG-CB 4.08Å; Q145-M314 HydrophobicContact CG-SD 4.24Å; A151-M314 HydrophobicContact CB-CB 4Å; A151-M314 HydrophobicContact CB-CG 4.09Å; A151-M314 HydrophobicContact CB-SD 3.75Å; A151-M314 WeakPolarHBondContact O-CE 3.33Å; V154-M314 HydrophobicContact CB-CE 4.35Å; V154-M314 HydrophobicContact CB-SD 4.27Å; V154-M314 HydrophobicContact CG1-CE 3.94Å; V154-M314 HydrophobicContact CG1-SD 4.03Å; A155-M314 HydrophobicContact CB-CE 3.84Å; F297-M314 CarbonylContact O-C 3.56Å; F297-M314 WeakPolarHBondContact O-CA 3.43Å; N298-M314 HydrophobicContact CB-CB 4.34Å; M314-V316 HydrophobicContact CE-CG1 3.86Å; M314-L322 HydrophobicContact CE-CD2 4.45Å
315W98.8Very high96.7Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-116.2149.4171.1-66.9-98.1000111M119 L122 L126 L128 F132 G141 S296 F297 F299 A313M119-W315 HydrophobicContact CE-CD2 3.79Å; M119-W315 VanDerWaalsContact CE-CE2 3.43Å; M119-W315 HydrophobicContact CE-CE3 4.09Å; M119-W315 HydrophobicContact CE-CG 4.43Å; M119-W315 HydrophobicContact CE-CH2 3.77Å; M119-W315 HydrophobicContact CE-CZ2 3.44Å; M119-W315 VanDerWaalsContact CE-CZ2 3.44Å; M119-W315 HydrophobicContact CE-CZ3 4.08Å; M119-W315 WeakPolarHBondContact O-CZ2 3.32Å; M119-W315 PolarHBondContact O-NE1 3.02Å; M119-W315 HydrophobicContact SD-CZ2 4.32Å; L122-W315 HydrophobicContact CB-CH2 4.22Å; L122-W315 HydrophobicContact CB-CZ2 3.94Å; L122-W315 HydrophobicContact CD2-CH2 3.59Å; L122-W315 HydrophobicContact CD2-CZ2 4.1Å; L122-W315 HydrophobicContact CG-CH2 3.69Å; L122-W315 HydrophobicContact CG-CZ2 3.93Å; L126-W315 HydrophobicContact CD1-CH2 4.04Å; L126-W315 HydrophobicContact CD1-CZ3 4.32Å; L128-W315 HydrophobicContact CD1-CD2 3.65Å; L128-W315 HydrophobicContact CD1-CE3 4.03Å; L128-W315 HydrophobicContact CD1-CG 3.9Å; L128-W315 HydrophobicContact CD1-CZ2 4.34Å; F132-W315 HydrophobicContact CB-CB 4.08Å; F132-W315 HydrophobicContact CB-CG 4.34Å; F132-W315 HydrophobicContact CD1-CB 3.6Å; F132-W315 HydrophobicContact CE1-CB 4.36Å; F132-W315 HydrophobicContact CG-CB 4.13Å; F132-W315 VanDerWaalsContact O-CD1 3.3Å; G141-W315 WeakPolarHBondContact O-CA 3.45Å; S296-W315 CarbonylContact C-O 3.48Å; S296-W315 WeakPolarHBondContact CA-O 3.3Å; S296-W315 VanDerWaalsContact CB-O 3.28Å; S296-W315 WeakPolarHBondContact CB-O 3.44Å; F297-W315 HydrophobicContact CD1-CD2 4.45Å; F297-W315 AromaticContact CD1-CE3 3.57Å; F297-W315 HydrophobicContact CD1-CE3 3.57Å; F297-W315 AromaticContact CD1-CZ3 3.95Å; F297-W315 HydrophobicContact CD1-CZ3 3.95Å; F297-W315 AromaticContact CE1-CE3 3.99Å; F297-W315 HydrophobicContact CE1-CE3 3.99Å; F297-W315 AromaticContact CE1-CZ3 3.87Å; F297-W315 HydrophobicContact CE1-CZ3 3.87Å; F297-W315 PolarHBondContact N-O 2.94Å; F297-W315 PolarHBondContact O-N 2.88Å; F299-W315 HydrophobicContact CD1-CH2 4.22Å; F299-W315 AromaticContact CD1-CZ3 3.8Å; F299-W315 HydrophobicContact CD1-CZ3 3.8Å; F299-W315 AromaticContact CE1-CH2 3.65Å; F299-W315 HydrophobicContact CE1-CH2 3.65Å; F299-W315 AromaticContact CE1-CZ3 3.72Å; F299-W315 HydrophobicContact CE1-CZ3 3.72Å; A313-W315 HydrophobicContact CB-CE3 4.42Å; A313-W315 HydrophobicContact CB-CH2 3.47Å; A313-W315 VanDerWaalsContact CB-CH2 3.47Å; A313-W315 HydrophobicContact CB-CZ2 4.45Å; A313-W315 HydrophobicContact CB-CZ3 3.45Å; A313-W315 VanDerWaalsContact CB-CZ3 3.45Å
316V98.4Very high96.6Very high1 Ų129.2 Ų29.21%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-127.3141.9170-670000109.8F132 G140 G141 D295 M314 K318 L322 W349F132-V316 VanDerWaalsContact CD1-C 3.43Å; G140-V316 WeakPolarHBondContact CA-O 3.17Å; G141-V316 PolarHBondContact N-O 3.08Å; G141-V316 VanDerWaalsContact N-O 3.14Å; G141-V316 PolarHBondContact O-N 3.41Å; D295-V316 CarbonylContact O-C 3.45Å; D295-V316 WeakPolarHBondContact O-CA 3.42Å; M314-V316 HydrophobicContact CE-CG1 3.86Å; V316-K318 VanDerWaalsContact C-N 3.3Å; V316-L322 HydrophobicContact CB-CD1 4.33Å; V316-L322 HydrophobicContact CB-CG 4.38Å; V316-L322 HydrophobicContact CG1-CD1 3.65Å; V316-L322 HydrophobicContact CG1-CD2 4Å; V316-L322 HydrophobicContact CG1-CG 3.76Å; V316-L322 HydrophobicContact CG2-CD1 3.74Å; V316-L322 HydrophobicContact CG2-CG 4.02Å; V316-W349 HydrophobicContact CG2-CE3 4.22Å; V316-W349 HydrophobicContact CG2-CH2 4.32Å; V316-W349 HydrophobicContact CG2-CZ3 3.7Å
317K96.1Very high96.3Very high39 Ų3934.6 Ų34.617%0.1717%0.173CC..SBendtrans-70.9-29.1179.2-174.6-179.4-83.71600111.7A131 F132 G140 E292 A294 D295A131-K317 HydrophobicContact CB-CG 3.87Å; F132-K317 HydrophobicContact CD1-CB 4.31Å; F132-K317 HydrophobicContact CE1-CB 3.88Å; F132-K317 HydrophobicContact CZ-CB 4.24Å; G140-K317 VanDerWaalsContact CA-O 3.3Å; G140-K317 WeakPolarHBondContact CA-O 3.36Å; G140-K317 PolarHBondContact N-O 3.13Å; G140-K317 VanDerWaalsContact N-O 3.17Å; E292-K317 PolarHBondContact O-NZ 3.38Å; A294-K317 WeakPolarHBondContact O-CE 3.45Å; A294-K317 PolarHBondContact O-NZ 3.01Å; D295-K317 PolarHBondContact O-N 3.35Å
318K95.1Very high95.7Very high89 Ų8941 Ų4139%0.38721%0.207SC..  trans-134.6111.6178.6-66.2-175.6177.7-176.50110.7V316 T320 D321V316-K318 VanDerWaalsContact C-N 3.3Å; K318-T320 PolarHBondContact O-N 2.96Å; K318-D321 WeakPolarHBondContact O-CB 3.25Å; K318-D321 PolarHBondContact O-N 3.13Å; K318-D321 VanDerWaalsContact O-N 3.16Å
319R93.1Very high95.2Very high80 Ų8042.4 Ų42.430%0.30221%0.214SC..Hα-helixtrans-61.7-30.1-179.772.5-173.3104.2170.44.4113.5G138 E139 D321 L322 T323 W349G138-R319 PolarHBondContact O-NH2 3.25Å; E139-R319 WeakPolarHBondContact O-CB 3.45Å; E139-R319 WeakPolarHBondContact O-CG 3.43Å; E139-R319 PolarHBondContact O-N 3.42Å; E139-R319 PolarHBondContact O-NE 2.95Å; E139-R319 VanDerWaalsContact O-NE 3.09Å; R319-D321 PolarHBondContact O-N 3.41Å; R319-L322 PolarHBondContact O-N 3.12Å; R319-T323 PolarHBondContact O-N 3.25Å; R319-T323 PolarHBondContact O-OG1 3.41Å; R319-W349 HydrophobicContact CB-CH2 3.48Å; R319-W349 VanDerWaalsContact CB-CH2 3.48Å; R319-W349 HydrophobicContact CB-CZ2 3.28Å; R319-W349 HydrophobicContact CB-CZ3 4.46Å; R319-W349 HydrophobicContact CG-CZ2 4.27Å
320T93.5Very high94.9Very high87 Ų8738.5 Ų38.553%0.53420%0.201SC..Hα-helixtrans-64.2-23.6179.247.20000112.9K318 T323 G324K318-T320 PolarHBondContact O-N 2.96Å; T320-T323 WeakPolarHBondContact CA-OG1 3.48Å; T320-G324 WeakPolarHBondContact O-CA 3.31Å; T320-G324 PolarHBondContact O-N 3.42Å
321D95.5Very high94.5Very high22 Ų2243 Ų4312%0.11823%0.229CC..Hα-helixtrans-71.3-38.2175-71-24.9000111.4K162 W267 K318 R319 A325K162-D321 WeakPolarHBondContact CD-OD1 3.28Å; K162-D321 WeakPolarHBondContact CE-OD1 3.37Å; K162-D321 IonicContact NZ-OD1 3.8Å; K162-D321 PolarHBondContact NZ-OD1 2.74Å; K162-D321 IonicContact NZ-OD2 2.81Å; K162-D321 PolarHBondContact NZ-OD2 2.95Å; W267-D321 HydrophobicContact CH2-CB 3.64Å; W267-D321 HydrophobicContact CZ3-CB 3.6Å; W267-D321 WeakPolarHBondContact CZ3-OD2 3.35Å; K318-D321 WeakPolarHBondContact O-CB 3.25Å; K318-D321 PolarHBondContact O-N 3.13Å; K318-D321 VanDerWaalsContact O-N 3.16Å; R319-D321 PolarHBondContact O-N 3.41Å; D321-A325 PolarHBondContact O-N 3.28Å
322L95.6Very high94Very high0 Ų052.1 Ų52.10%027%0.265CS..Hα-helixtrans-72.2-52.6173.1-67.1-171.6000111.6V154 A158 M314 V316 R319 G324 A325 F326 H348 W349V154-L322 HydrophobicContact CG1-CD2 3.64Å; A158-L322 HydrophobicContact CB-CD2 3.71Å; M314-L322 HydrophobicContact CE-CD2 4.45Å; V316-L322 HydrophobicContact CB-CD1 4.33Å; V316-L322 HydrophobicContact CB-CG 4.38Å; V316-L322 HydrophobicContact CG1-CD1 3.65Å; V316-L322 HydrophobicContact CG1-CD2 4Å; V316-L322 HydrophobicContact CG1-CG 3.76Å; V316-L322 HydrophobicContact CG2-CD1 3.74Å; V316-L322 HydrophobicContact CG2-CG 4.02Å; R319-L322 PolarHBondContact O-N 3.12Å; L322-G324 PolarHBondContact O-N 2.93Å; L322-A325 WeakPolarHBondContact O-CA 3.4Å; L322-A325 PolarHBondContact O-N 3.27Å; L322-F326 HydrophobicContact CD2-CE2 4.45Å; L322-F326 VanDerWaalsContact O-CD2 3.28Å; L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.44Å; L322-H348 CarbonylContact C-O 3.47Å; L322-W349 HydrophobicContact CD1-CB 4.05Å; L322-W349 HydrophobicContact CD1-CD2 3.93Å; L322-W349 HydrophobicContact CD1-CE3 3.61Å; L322-W349 HydrophobicContact CD1-CG 4.14Å; L322-W349 HydrophobicContact CD1-CZ3 4.4Å
323T94.4Very high93.6Very high33 Ų3352.9 Ų52.920%0.20227%0.269CS..Hα-helixtrans-63.9-32.2-178.362.90000111R319 T320 A325 F326 K327 H348R319-T323 PolarHBondContact O-N 3.25Å; R319-T323 PolarHBondContact O-OG1 3.41Å; T320-T323 WeakPolarHBondContact CA-OG1 3.48Å; T323-A325 PolarHBondContact O-N 3.02Å; T323-F326 PolarHBondContact O-N 2.9Å; T323-K327 WeakPolarHBondContact O-CB 3.36Å; T323-K327 PolarHBondContact O-N 3.4Å; T323-H348 HydrophobicContact CG2-CB 3.85Å
324G93.3Very high93.1Very high19 Ų1958.3 Ų58.320%0.19629%0.293CS..Hα-helixtrans-54.3-40169.900000112.4R165 T320 L322R165-G324 VanDerWaalsContact NH1-C 3.35Å; R165-G324 PolarHBondContact NH1-O 3.26Å; R165-G324 PolarHBondContact NH2-O 3.09Å; T320-G324 WeakPolarHBondContact O-CA 3.31Å; T320-G324 PolarHBondContact O-N 3.42Å; L322-G324 PolarHBondContact O-N 2.93Å
325A95.1Very high92.6Very high28 Ų2859.5 Ų59.523%0.23130%0.298CS..Hα-helixtrans-82.5-35.4-17900000114.5A158 T161 D321 L322 T323A158-A325 HydrophobicContact CB-CB 4.32Å; T161-A325 HydrophobicContact CG2-CB 4.27Å; D321-A325 PolarHBondContact O-N 3.28Å; L322-A325 WeakPolarHBondContact O-CA 3.4Å; L322-A325 PolarHBondContact O-N 3.27Å; T323-A325 PolarHBondContact O-N 3.02Å
326F95.6Very high92.1Very high38 Ų3867.4 Ų67.417%0.16734%0.34CS..Hα-helixtrans-116-1.4-167.3-59-73.3000115.1V154 L157 L322 T323 L328 I351V154-F326 HydrophobicContact CG1-CE2 3.86Å; V154-F326 HydrophobicContact CG1-CZ 4.28Å; V154-F326 HydrophobicContact CG2-CZ 4.43Å; L157-F326 HydrophobicContact CB-CE1 4.38Å; L157-F326 HydrophobicContact CB-CZ 3.8Å; L157-F326 HydrophobicContact CD1-CE1 4.03Å; L157-F326 HydrophobicContact CD1-CZ 4.02Å; L322-F326 HydrophobicContact CD2-CE2 4.45Å; L322-F326 VanDerWaalsContact O-CD2 3.28Å; L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.44Å; T323-F326 PolarHBondContact O-N 2.9Å; F326-L328 PolarHBondContact O-N 3Å; F326-I351 HydrophobicContact CE1-CG1 4.46Å
327K91.8Very high91.3Very high116 Ų11671.7 Ų71.750%0.50436%0.36SS..  trans-66.8117.6-177.9-174.7168.3-179.3173.60112.1T323 D329 H348T323-K327 WeakPolarHBondContact O-CB 3.36Å; T323-K327 PolarHBondContact O-N 3.4Å; K327-D329 WeakPolarHBondContact CE-OD2 3.23Å; K327-D329 IonicContact NZ-OD2 3.76Å; K327-H348 WeakPolarHBondContact CA-ND1 3.44Å
328L86Confident90.5Very high135 Ų13572.3 Ų72.371%0.70736%0.364SS*.  trans-137.5121.6171.8-67.2174.9000108.4F326 P330F326-L328 PolarHBondContact O-N 3Å; L328-P330 VanDerWaalsContact C-CD 3.44Å; L328-P330 WeakPolarHBondContact O-CD 3.39Å
329D87.1Confident89.5Confident53 Ų5374.4 Ų74.428%0.28338%0.379SS..  trans-123.967.1-172.7-66.1-36.4000113.1K327 R347 H348K327-D329 WeakPolarHBondContact CE-OD2 3.23Å; K327-D329 IonicContact NZ-OD2 3.76Å; D329-R347 IonicContact OD1-CZ 2.62Å; D329-R347 IonicContact OD1-NH2 3.45Å; D329-R347 PolarHBondContact OD1-NH2 2.73Å; D329-H348 IonicContact OD1-CE1 2.98Å; D329-H348 PolarHBondContact OD1-CE1 2.84Å; D329-H348 VanDerWaalsContact OD1-CE1 3.26Å; D329-H348 IonicContact OD1-NE2 3.89Å; D329-H348 PolarHBondContact OD1-NE2 3.02Å
330P89.6Confident88.7Confident42 Ų4273 Ų7327%0.27338%0.382SS..  trans-62.8152.817029.8-33.7000110.5L328 Y332 L333L328-P330 VanDerWaalsContact C-CD 3.44Å; L328-P330 WeakPolarHBondContact O-CD 3.39Å; P330-Y332 VanDerWaalsContact C-N 3.26Å; P330-Y332 HydrophobicContact CB-CD1 3.89Å; P330-Y332 HydrophobicContact CB-CE1 3.42Å; P330-Y332 VanDerWaalsContact CB-CE1 3.42Å; P330-Y332 HydrophobicContact CG-CD1 4.32Å; P330-Y332 HydrophobicContact CG-CE1 3.7Å; P330-Y332 HydrophobicContact CG-CE2 3.98Å; P330-Y332 VanDerWaalsContact CG-CZ 3.48Å; P330-Y332 PolarHBondContact O-N 3.32Å; P330-Y332 VanDerWaalsContact O-N 3.16Å; P330-L333 HydrophobicContact CG-CB 4Å; P330-L333 HydrophobicContact CG-CD1 3.73Å; P330-L333 HydrophobicContact CG-CG 3.93Å; P330-L333 WeakPolarHBondContact O-CB 3.34Å; P330-L333 PolarHBondContact O-N 2.99Å
331V90.9Very high87.8Confident122 Ų12271.7 Ų71.774%0.73939%0.385SS*.G310 helixtrans-56.9-37.6-171.2178.40000112.9L333 K334V331-L333 PolarHBondContact O-N 3.46Å; V331-L333 VanDerWaalsContact O-N 3.09Å; V331-K334 PolarHBondContact O-N 2.88Å
332Y87.6Confident86.8Confident190 Ų19078.1 Ų78.175%0.74542%0.419SS*.G310 helixtrans-69.7-3.7-179.262.5-98.3000114.6P330P330-Y332 VanDerWaalsContact C-N 3.26Å; P330-Y332 HydrophobicContact CB-CD1 3.89Å; P330-Y332 HydrophobicContact CB-CE1 3.42Å; P330-Y332 VanDerWaalsContact CB-CE1 3.42Å; P330-Y332 HydrophobicContact CG-CD1 4.32Å; P330-Y332 HydrophobicContact CG-CE1 3.7Å; P330-Y332 HydrophobicContact CG-CE2 3.98Å; P330-Y332 VanDerWaalsContact CG-CZ 3.48Å; P330-Y332 PolarHBondContact O-N 3.32Å; P330-Y332 VanDerWaalsContact O-N 3.16Å
333L90.8Very high86.1Confident16 Ų1679.6 Ų79.68%0.08443%0.426CS..G310 helixtrans-111.6-3.5-179-85.6-165000112.9F103 P330 V331 R347 L353F103-L333 HydrophobicContact CD2-CD2 3.83Å; F103-L333 HydrophobicContact CE2-CD2 3.63Å; F103-L333 HydrophobicContact CZ-CD2 4.41Å; P330-L333 HydrophobicContact CG-CB 4Å; P330-L333 HydrophobicContact CG-CD1 3.73Å; P330-L333 HydrophobicContact CG-CG 3.93Å; P330-L333 WeakPolarHBondContact O-CB 3.34Å; P330-L333 PolarHBondContact O-N 2.99Å; V331-L333 PolarHBondContact O-N 3.46Å; V331-L333 VanDerWaalsContact O-N 3.09Å; L333-R347 VanDerWaalsContact CB-NH1 3.27Å; L333-R347 PolarHBondContact O-NH1 2.94Å; L333-L353 HydrophobicContact CD1-CD1 3.68Å; L333-L353 HydrophobicContact CD1-CD2 4.4Å; L333-L353 HydrophobicContact CD2-CD1 4.32Å; L333-L353 HydrophobicContact CD2-CD2 4.48Å
334K88.6Confident85.6Confident115 Ų11578.9 Ų78.950%0.542%0.422SS..  trans-80152-178.1-66.9-173.1174.6-174.80112.3V331 Q338V331-K334 PolarHBondContact O-N 2.88Å; K334-Q338 VanDerWaalsContact CA-OE1 3.25Å
335H88.3Confident85.5Confident25 Ų2578.6 Ų78.612%0.11642%0.416CS..  trans-153.6161.3173.165.390.9000111.6A106 H337 Q338 D345A106-H335 HydrophobicContact CB-CB 3.72Å; H335-H337 PolarHBondContact ND1-N 3.21Å; H335-H337 PolarHBondContact O-N 3.03Å; H335-Q338 PolarHBondContact CE1-N 3.42Å; H335-Q338 PolarHBondContact ND1-N 3.18Å; H335-Q338 WeakPolarHBondContact O-CB 3.41Å; H335-Q338 VanDerWaalsContact O-CG 3.26Å; H335-Q338 WeakPolarHBondContact O-CG 3.49Å; H335-Q338 PolarHBondContact O-N 3.45Å; H335-Q338 VanDerWaalsContact O-N 3.17Å; H335-D345 IonicContact NE2-OD1 3.34Å; H335-D345 PolarHBondContact NE2-OD1 3.29Å; H335-D345 IonicContact NE2-OD2 3.57Å; H335-D345 PolarHBondContact NE2-OD2 3.26Å
336D86.9Confident85.5Confident165 Ų16577.5 Ų77.588%0.88241%0.406SS*.THydrogen-bonded Turntrans-65.5-14.9-169.3-59.3-20.4000114.9
337H83.3Confident85.4Confident92 Ų9276.2 Ų76.243%0.42640%0.4SS..THydrogen-bonded Turntrans-98.3-5.4-178.8-60.6-73.2000114.3W105 H335 D339 S340 I343W105-H337 HydrophobicContact CE3-CB 4.45Å; W105-H337 AromaticContact CE3-CD2 3.97Å; W105-H337 AromaticContact CZ3-CD2 3.38Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.36Å; W105-H337 AromaticContact CZ3-NE2 3.87Å; H335-H337 PolarHBondContact ND1-N 3.21Å; H335-H337 PolarHBondContact O-N 3.03Å; H337-D339 PolarHBondContact O-N 3.03Å; H337-S340 VanDerWaalsContact O-CB 3.29Å; H337-S340 WeakPolarHBondContact O-CB 3.28Å; H337-S340 PolarHBondContact O-N 3.32Å; H337-S340 VanDerWaalsContact O-N 3.12Å; H337-S340 PolarHBondContact O-OG 3.05Å; H337-I343 HydrophobicContact CB-CG1 4.35Å; H337-I343 WeakPolarHBondContact O-CG1 3.37Å
338Q77.8Confident85.6Confident52 Ų5271.3 Ų71.324%0.24338%0.379CS..THydrogen-bonded Turntrans-63-29.9-171.273.5-171.215.900113.2K334 H335K334-Q338 VanDerWaalsContact CA-OE1 3.25Å; H335-Q338 PolarHBondContact CE1-N 3.42Å; H335-Q338 PolarHBondContact ND1-N 3.18Å; H335-Q338 WeakPolarHBondContact O-CB 3.41Å; H335-Q338 VanDerWaalsContact O-CG 3.26Å; H335-Q338 WeakPolarHBondContact O-CG 3.49Å; H335-Q338 PolarHBondContact O-N 3.45Å; H335-Q338 VanDerWaalsContact O-N 3.17Å
339D75.9Confident86.1Confident132 Ų13265.2 Ų65.271%0.70635%0.347SS*.THydrogen-bonded Turntrans-100.36.8-178.4-61.2-51.6000112.6H337 G341H337-D339 PolarHBondContact O-N 3.03Å; D339-G341 PolarHBondContact O-N 2.98Å
340S75.4Confident86.6Confident51 Ų5162.9 Ų62.936%0.35733%0.334SS..SBendtrans-69.4-21.3-179.266.10000113.7H337 L342H337-S340 VanDerWaalsContact O-CB 3.29Å; H337-S340 WeakPolarHBondContact O-CB 3.28Å; H337-S340 PolarHBondContact O-N 3.32Å; H337-S340 VanDerWaalsContact O-N 3.12Å; H337-S340 PolarHBondContact O-OG 3.05Å; S340-L342 PolarHBondContact O-N 2.75Å; S340-L342 VanDerWaalsContact O-N 3.14Å; S340-L342 PolarHBondContact OG-N 2.62Å
341G73.8Confident87Confident59 Ų5965.1 Ų65.161%0.60834%0.342SS*.SBendtrans68.9-1.5-170.900000114.6D339D339-G341 PolarHBondContact O-N 2.98Å
342L74.8Confident87.3Confident157 Ų15762.5 Ų62.582%0.82233%0.328SS*.SBendtrans-94.2-15.5-175.6-63.1175000113.4S340S340-L342 PolarHBondContact O-N 2.75Å; S340-L342 VanDerWaalsContact O-N 3.14Å; S340-L342 PolarHBondContact OG-N 2.62Å
343I80.9Confident87.7Confident31 Ų3157.2 Ų57.216%0.15931%0.312CS..  trans-121159.1-172.464.486.3000111.5W105 H337W105-I343 HydrophobicContact CB-CB 4.14Å; W105-I343 HydrophobicContact CB-CD1 4.05Å; W105-I343 HydrophobicContact CB-CG1 4.35Å; W105-I343 HydrophobicContact CD2-CG2 4.19Å; W105-I343 HydrophobicContact CG-CB 4.04Å; W105-I343 HydrophobicContact CG-CG2 3.92Å; H337-I343 HydrophobicContact CB-CG1 4.35Å; H337-I343 WeakPolarHBondContact O-CG1 3.37Å
344T83.8Confident88Confident19 Ų1958.3 Ų58.312%0.11733%0.327CS..  trans-116.3116.6175.1-620000110T112 Y346 W349T112-T344 WeakPolarHBondContact CG2-O 3.46Å; T344-Y346 HydrophobicContact CG2-CD1 3.71Å; T344-Y346 HydrophobicContact CG2-CD2 4.38Å; T344-Y346 HydrophobicContact CG2-CE1 3.62Å; T344-Y346 HydrophobicContact CG2-CE2 4.29Å; T344-Y346 HydrophobicContact CG2-CG 4.1Å; T344-Y346 PolarHBondContact O-N 3.07Å; T344-W349 HydrophobicContact CG2-CD2 4.31Å; T344-W349 HydrophobicContact CG2-CZ2 3.72Å
345D91.3Very high88.4Confident13 Ų1353.1 Ų53.17%0.0730%0.304CS..  trans-86.494.3168.1-79.8-23.2000109.8T104 W105 H335 R347 H348T104-D345 WeakPolarHBondContact CA-OD1 3.5Å; T104-D345 WeakPolarHBondContact CB-OD1 3.19Å; W105-D345 PolarHBondContact N-OD1 3.21Å; H335-D345 IonicContact NE2-OD1 3.34Å; H335-D345 PolarHBondContact NE2-OD1 3.29Å; H335-D345 IonicContact NE2-OD2 3.57Å; H335-D345 PolarHBondContact NE2-OD2 3.26Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 2.84Å; D345-H348 PolarHBondContact O-N 2.84Å
346Y95Very high88.8Confident4 Ų455 Ų552%0.01631%0.31CS..G310 helixtrans-62.5-14.4-175.2-77.1-62000114.4T112 E115 T116 G142 V143 T344 H348 W349 Q350T112-Y346 HydrophobicContact CG2-CD2 3.93Å; T112-Y346 HydrophobicContact CG2-CE2 3.81Å; E115-Y346 HydrophobicContact CB-CE2 3.99Å; E115-Y346 HydrophobicContact CG-CE2 4.1Å; T116-Y346 WeakPolarHBondContact CA-OH 3.48Å; T116-Y346 PolarHBondContact N-OH 3.04Å; T116-Y346 PolarHBondContact OG1-OH 3.12Å; G142-Y346 WeakPolarHBondContact O-CE1 3.22Å; G142-Y346 PolarHBondContact O-OH 2.88Å; V143-Y346 HydrophobicContact CB-CD1 3.85Å; V143-Y346 HydrophobicContact CB-CE1 3.85Å; V143-Y346 HydrophobicContact CG2-CD1 3.53Å; V143-Y346 HydrophobicContact CG2-CE1 4Å; V143-Y346 HydrophobicContact CG2-CG 4.3Å; T344-Y346 HydrophobicContact CG2-CD1 3.71Å; T344-Y346 HydrophobicContact CG2-CD2 4.38Å; T344-Y346 HydrophobicContact CG2-CE1 3.62Å; T344-Y346 HydrophobicContact CG2-CE2 4.29Å; T344-Y346 HydrophobicContact CG2-CG 4.1Å; T344-Y346 PolarHBondContact O-N 3.07Å; Y346-H348 PolarHBondContact O-N 3.34Å; Y346-H348 VanDerWaalsContact O-N 3.16Å; Y346-W349 HydrophobicContact CD1-CB 4.26Å; Y346-W349 HydrophobicContact CD1-CD2 4.34Å; Y346-W349 HydrophobicContact CD1-CG 4.18Å; Y346-W349 PolarHBondContact O-N 2.99Å; Y346-Q350 WeakPolarHBondContact O-CG 3.19Å
347R94.6Very high89.4Confident12 Ų1247.9 Ų47.95%0.04527%0.272CS..G310 helixtrans-55.5-27.6167.566.8178.4-170.9-148.87.8113F103 D329 L333 D345 W349 L353F103-R347 HydrophobicContact CB-CB 4.39Å; F103-R347 WeakPolarHBondContact O-CB 3.34Å; F103-R347 VanDerWaalsContact O-CG 3.24Å; F103-R347 WeakPolarHBondContact O-CG 3.28Å; F103-R347 PolarHBondContact O-N 3.27Å; D329-R347 IonicContact OD1-CZ 2.62Å; D329-R347 IonicContact OD1-NH2 3.45Å; D329-R347 PolarHBondContact OD1-NH2 2.73Å; L333-R347 VanDerWaalsContact CB-NH1 3.27Å; L333-R347 PolarHBondContact O-NH1 2.94Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 2.84Å; R347-W349 VanDerWaalsContact C-N 3.28Å; R347-L353 HydrophobicContact CB-CD1 4.04Å
348H95.1Very high90.1Very high13 Ų1344.9 Ų44.96%0.0626%0.257CS..G310 helixtrans-88.14.1179.9-56.7-47.3000113.3L322 T323 K327 D329 D345 Y346L322-H348 CarbonylContact C-O 3.47Å; T323-H348 HydrophobicContact CG2-CB 3.85Å; K327-H348 WeakPolarHBondContact CA-ND1 3.44Å; D329-H348 IonicContact OD1-CE1 2.98Å; D329-H348 PolarHBondContact OD1-CE1 2.84Å; D329-H348 VanDerWaalsContact OD1-CE1 3.26Å; D329-H348 IonicContact OD1-NE2 3.89Å; D329-H348 PolarHBondContact OD1-NE2 3.02Å; D345-H348 PolarHBondContact O-N 2.84Å; Y346-H348 PolarHBondContact O-N 3.34Å; Y346-H348 VanDerWaalsContact O-N 3.16Å
349W97.3Very high91.1Very high7 Ų742.4 Ų42.43%0.02725%0.245CC..G310 helixtrans-117.77.7-177-6756.6000111.9V143 Q145 V316 R319 L322 T344 Y346 R347V143-W349 HydrophobicContact CB-CB 4.28Å; V143-W349 HydrophobicContact CB-CE3 4.07Å; V143-W349 HydrophobicContact CG1-CB 4.27Å; V143-W349 HydrophobicContact CG1-CE3 4.07Å; V143-W349 HydrophobicContact CG2-CB 4.12Å; Q145-W349 PolarHBondContact NE2-O 2.91Å; V316-W349 HydrophobicContact CG2-CE3 4.22Å; V316-W349 HydrophobicContact CG2-CH2 4.32Å; V316-W349 HydrophobicContact CG2-CZ3 3.7Å; R319-W349 HydrophobicContact CB-CH2 3.48Å; R319-W349 VanDerWaalsContact CB-CH2 3.48Å; R319-W349 HydrophobicContact CB-CZ2 3.28Å; R319-W349 HydrophobicContact CB-CZ3 4.46Å; R319-W349 HydrophobicContact CG-CZ2 4.27Å; L322-W349 HydrophobicContact CD1-CB 4.05Å; L322-W349 HydrophobicContact CD1-CD2 3.93Å; L322-W349 HydrophobicContact CD1-CE3 3.61Å; L322-W349 HydrophobicContact CD1-CG 4.14Å; L322-W349 HydrophobicContact CD1-CZ3 4.4Å; T344-W349 HydrophobicContact CG2-CD2 4.31Å; T344-W349 HydrophobicContact CG2-CZ2 3.72Å; Y346-W349 HydrophobicContact CD1-CB 4.26Å; Y346-W349 HydrophobicContact CD1-CD2 4.34Å; Y346-W349 HydrophobicContact CD1-CG 4.18Å; Y346-W349 PolarHBondContact O-N 2.99Å; R347-W349 VanDerWaalsContact C-N 3.28Å
350Q97.4Very high92.2Very high3 Ų336.6 Ų36.61%0.01421%0.214CC..SBendtrans-149.2171.1-174.671177.425.400110.6Y346 P352 L353 G354Y346-Q350 WeakPolarHBondContact O-CG 3.19Å; Q350-P352 HydrophobicContact CG-CG 4.37Å; Q350-P352 WeakPolarHBondContact CG-O 3.15Å; Q350-P352 PolarHBondContact NE2-O 3.37Å; Q350-L353 PolarHBondContact NE2-O 3.44Å; Q350-G354 PolarHBondContact NE2-O 3.25Å
351I97.8Very high93.3Very high89 Ų8934.1 Ų34.146%0.45620%0.197SC..SBendtrans-75.9-53177.1-63166.8000112.6L153 V154 F326L153-I351 HydrophobicContact CD2-CD1 3.58Å; L153-I351 HydrophobicContact CG-CD1 4.04Å; V154-I351 HydrophobicContact CG2-CD1 4.19Å; V154-I351 HydrophobicContact CG2-CG1 3.92Å; F326-I351 HydrophobicContact CE1-CG1 4.46Å
352P97.3Very high94.5Very high68 Ų6831.3 Ų31.344%0.44217%0.168SC..SBendtrans-77.9163.8-177.430-34.2000112.8Q350Q350-P352 HydrophobicContact CG-CG 4.37Å; Q350-P352 WeakPolarHBondContact CG-O 3.15Å; Q350-P352 PolarHBondContact NE2-O 3.37Å
353L96.6Very high95.6Very high79 Ų7927.5 Ų27.541%0.41414%0.143SC..SBendtrans-74.3-58.9170.6177.164.2000111.2F103 L333 R347 Q350F103-L353 HydrophobicContact CB-CD1 3.87Å; F103-L353 HydrophobicContact CB-CG 4.09Å; F103-L353 WeakPolarHBondContact CB-O 3.08Å; F103-L353 HydrophobicContact CD2-CD1 4.48Å; F103-L353 HydrophobicContact CG-CD1 4.26Å; F103-L353 HydrophobicContact CG-CG 4.38Å; L333-L353 HydrophobicContact CD1-CD1 3.68Å; L333-L353 HydrophobicContact CD1-CD2 4.4Å; L333-L353 HydrophobicContact CD2-CD1 4.32Å; L333-L353 HydrophobicContact CD2-CD2 4.48Å; R347-L353 HydrophobicContact CB-CD1 4.04Å; Q350-L353 PolarHBondContact NE2-O 3.44Å
354G96.1Very high96.5Very high38 Ų3828.1 Ų28.139%0.39214%0.144SC..  trans-71.5147.5-174.800000113Q350Q350-G354 PolarHBondContact NE2-O 3.25Å
355R97.4Very high97.2Very high6 Ų627.2 Ų27.22%0.02314%0.139CC..  trans-150.6143.1171.24616832.7-106-1.9111.4I101 G102 E115 I144I101-R355 CarbonylContact C-O 3.59Å; I101-R355 WeakPolarHBondContact CA-O 3.24Å; G102-R355 PolarHBondContact N-O 3.49Å; G102-R355 WeakPolarHBondContact O-CD 2.72Å; G102-R355 WeakPolarHBondContact O-CG 3.19Å; E115-R355 IonicContact OE1-CZ 3.54Å; E115-R355 IonicContact OE1-NH1 2.92Å; E115-R355 PolarHBondContact OE1-NH1 3.43Å; E115-R355 IonicContact OE1-NH2 3.42Å; E115-R355 IonicContact OE2-NH1 2.7Å; E115-R355 PolarHBondContact OE2-NH1 3.19Å; I144-R355 PolarHBondContact O-NH2 2.92Å
356R97Very high97.5Very high64 Ų6427 Ų2724%0.24214%0.137CC..  trans-87167.7179.173.7-172.4-166.497.8-17.5111.6D92 D310 R358D92-R356 IonicContact OD1-CZ 3.26Å; D92-R356 IonicContact OD1-NH1 3.27Å; D92-R356 PolarHBondContact OD1-NH1 3.32Å; D92-R356 IonicContact OD1-NH2 2.86Å; D92-R356 IonicContact OD2-NH1 2.88Å; D92-R356 IonicContact OD2-NH2 3.74Å; D310-R356 IonicContact OD1-CZ 3.62Å; D310-R356 IonicContact OD1-NE 2.75Å; D310-R356 PolarHBondContact OD1-NE 3.44Å; D310-R356 IonicContact OD1-NH2 2.84Å; D310-R356 PolarHBondContact OD1-NH2 3.25Å; D310-R356 IonicContact OD2-NE 3.59Å; R356-R358 HydrophobicContact CG-CG 3.51Å; R356-R358 PolarHBondContact O-N 2.9Å
357F98.4Very high97.7Very high16 Ų1634.4 Ų34.47%0.0717%0.165CC..  trans-76.159-179.3-159.3-7000113.5I98 A110 C111 L114 S359 L360I98-F357 HydrophobicContact CD1-CD2 4.28Å; I98-F357 HydrophobicContact CD1-CE2 4.4Å; A110-F357 HydrophobicContact CB-CE2 4.37Å; A110-F357 HydrophobicContact CB-CZ 4.17Å; A110-F357 WeakPolarHBondContact O-CE1 3.33Å; A110-F357 WeakPolarHBondContact O-CZ 3.35Å; C111-F357 HydrophobicContact CB-CD1 4.23Å; C111-F357 HydrophobicContact CB-CG 4.29Å; L114-F357 HydrophobicContact CB-CE1 3.92Å; L114-F357 HydrophobicContact CB-CZ 4.26Å; L114-F357 HydrophobicContact CD2-CE1 3.58Å; L114-F357 HydrophobicContact CD2-CZ 3.79Å; L114-F357 HydrophobicContact CG-CE1 4.27Å; F357-S359 VanDerWaalsContact C-N 3.3Å; F357-S359 WeakPolarHBondContact CD1-OG 3.29Å; F357-S359 VanDerWaalsContact CE1-OG 3.31Å; F357-S359 WeakPolarHBondContact CE1-OG 3.5Å; F357-S359 PolarHBondContact O-N 2.93Å; F357-L360 HydrophobicContact CD1-CB 4.08Å; F357-L360 HydrophobicContact CE1-CB 4.28Å; F357-L360 HydrophobicContact CG-CB 4.26Å; F357-L360 WeakPolarHBondContact O-CB 3.42Å; F357-L360 PolarHBondContact O-N 3.48Å
358R98.6Very high97.9Very high29 Ų2939.5 Ų39.511%0.10919%0.191CC..THydrogen-bonded Turntrans-63.1-31.8-174.2-62.8-176-180107.4-4.9114I144 D310 R356 L360 K361I144-R358 HydrophobicContact CB-CB 4.39Å; I144-R358 HydrophobicContact CD1-CB 4.05Å; I144-R358 HydrophobicContact CG2-CB 3.93Å; I144-R358 VanDerWaalsContact CG2-CD 3.49Å; I144-R358 HydrophobicContact CG2-CG 4.37Å; I144-R358 PolarHBondContact O-NH1 2.88Å; D310-R358 IonicContact OD2-CZ 3.85Å; D310-R358 VanDerWaalsContact OD2-CZ 3.29Å; D310-R358 IonicContact OD2-NE 3.03Å; D310-R358 PolarHBondContact OD2-NE 3.05Å; D310-R358 IonicContact OD2-NH2 3.26Å; D310-R358 PolarHBondContact OD2-NH2 3.29Å; R356-R358 HydrophobicContact CG-CG 3.51Å; R356-R358 PolarHBondContact O-N 2.9Å; R358-L360 PolarHBondContact O-N 3.15Å; R358-K361 WeakPolarHBondContact O-CG 3.44Å; R358-K361 PolarHBondContact O-N 2.87Å
359S98.7Very high98.1Very high0 Ų042.3 Ų42.30%020%0.201CC..Hα-helixtrans-64.9-20.2-178.555.70000113.3E115 F357 K361 M362 W363E115-S359 PolarHBondContact N-OG 3.49Å; F357-S359 VanDerWaalsContact C-N 3.3Å; F357-S359 WeakPolarHBondContact CD1-OG 3.29Å; F357-S359 VanDerWaalsContact CE1-OG 3.31Å; F357-S359 WeakPolarHBondContact CE1-OG 3.5Å; F357-S359 PolarHBondContact O-N 2.93Å; S359-K361 PolarHBondContact O-N 2.99Å; S359-M362 PolarHBondContact O-N 2.84Å; S359-W363 WeakPolarHBondContact O-CB 3.41Å; S359-W363 PolarHBondContact O-N 3.14Å
360L98.7Very high98.2Very high10 Ų1043.2 Ų43.25%0.05221%0.213CC..Hα-helixtrans-61.1-43178.8-172.261.2000112.5A91 L94 C95 I98 L114 F357 R358 W363 F364A91-L360 HydrophobicContact CB-CG 4.29Å; L94-L360 HydrophobicContact CB-CD2 4.19Å; L94-L360 HydrophobicContact CD2-CD2 4.07Å; L94-L360 HydrophobicContact CG-CD2 4Å; C95-L360 HydrophobicContact CB-CD2 4.31Å; I98-L360 HydrophobicContact CD1-CD2 4.29Å; L114-L360 HydrophobicContact CD2-CD1 4.24Å; F357-L360 HydrophobicContact CD1-CB 4.08Å; F357-L360 HydrophobicContact CE1-CB 4.28Å; F357-L360 HydrophobicContact CG-CB 4.26Å; F357-L360 WeakPolarHBondContact O-CB 3.42Å; F357-L360 PolarHBondContact O-N 3.48Å; R358-L360 PolarHBondContact O-N 3.15Å; L360-W363 HydrophobicContact CD1-CE3 4.16Å; L360-W363 WeakPolarHBondContact O-CB 3.2Å; L360-W363 PolarHBondContact O-N 3.33Å; L360-F364 HydrophobicContact CD1-CD2 4.33Å; L360-F364 HydrophobicContact CD1-CE2 3.91Å; L360-F364 HydrophobicContact CG-CE2 4.33Å; L360-F364 WeakPolarHBondContact O-CD2 3.49Å; L360-F364 PolarHBondContact O-N 3.12Å; L360-F364 VanDerWaalsContact O-N 3.07Å
361K98.6Very high98.2Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-72.6-33.6177.356.4172170.5-173.50113.7A88 A91 D92 V307 N308 D310 R358 S359 W363 F364 V365A88-K361 HydrophobicContact CB-CB 4.29Å; A91-K361 HydrophobicContact CB-CB 3.64Å; D92-K361 IonicContact OD1-NZ 3.56Å; D92-K361 IonicContact OD2-NZ 2.97Å; D92-K361 PolarHBondContact OD2-NZ 2.87Å; V307-K361 HydrophobicContact CG1-CB 4.45Å; V307-K361 HydrophobicContact CG1-CD 3.61Å; V307-K361 HydrophobicContact CG1-CG 3.8Å; N308-K361 PolarHBondContact O-NZ 2.99Å; N308-K361 WeakPolarHBondContact OD1-CD 3.48Å; D310-K361 WeakPolarHBondContact O-CE 3.25Å; D310-K361 PolarHBondContact O-NZ 3.42Å; R358-K361 WeakPolarHBondContact O-CG 3.44Å; R358-K361 PolarHBondContact O-N 2.87Å; S359-K361 PolarHBondContact O-N 2.99Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-F364 PolarHBondContact O-N 3.38Å; K361-V365 WeakPolarHBondContact O-CB 3.19Å; K361-V365 VanDerWaalsContact O-CG2 3.29Å; K361-V365 WeakPolarHBondContact O-CG2 3.38Å; K361-V365 PolarHBondContact O-N 3.43Å
362M98.7Very high98.3Very high0 Ų049.8 Ų49.80%024%0.243CC..Hα-helixtrans-60.9-44.5169.9-71.9-179.964.600110.6M118 L122 I144 V307 S359 F364 V365 F366M118-M362 HydrophobicContact CB-CB 4.48Å; M118-M362 HydrophobicContact CB-CE 4.35Å; M118-M362 HydrophobicContact CG-CB 4.38Å; L122-M362 HydrophobicContact CB-CE 4.32Å; L122-M362 HydrophobicContact CD2-CE 3.52Å; I144-M362 HydrophobicContact CD1-SD 3.42Å; I144-M362 WeakPolarHBondContact CD1-SD 3.09Å; I144-M362 HydrophobicContact CG1-SD 4.01Å; V307-M362 HydrophobicContact CG1-CG 4.26Å; V307-M362 HydrophobicContact CG2-CG 4.17Å; S359-M362 PolarHBondContact O-N 2.84Å; M362-F364 PolarHBondContact O-N 3.4Å; M362-V365 PolarHBondContact O-N 3.25Å; M362-F366 HydrophobicContact CB-CE2 4.35Å; M362-F366 HydrophobicContact CB-CZ 4.43Å; M362-F366 HydrophobicContact CE-CE2 3.71Å; M362-F366 HydrophobicContact CE-CZ 3.57Å; M362-F366 WeakPolarHBondContact O-CB 3.5Å; M362-F366 WeakPolarHBondContact O-CD1 3.38Å; M362-F366 WeakPolarHBondContact O-CG 3.22Å; M362-F366 PolarHBondContact O-N 3.1Å
363W98.8Very high98.4Very high77 Ų7747.9 Ų47.929%0.29224%0.235SC..Hα-helixtrans-60.5-43.9179-173.864.5000112.7L114 M118 S359 L360 K361 R367L114-W363 HydrophobicContact CD1-CB 4.29Å; L114-W363 HydrophobicContact CD1-CD2 4.42Å; L114-W363 HydrophobicContact CD1-CG 3.95Å; L114-W363 HydrophobicContact CD2-CB 4.12Å; L114-W363 HydrophobicContact CD2-CG 4.31Å; M118-W363 HydrophobicContact CE-CG 4.46Å; M118-W363 HydrophobicContact CG-CB 4.19Å; M118-W363 WeakPolarHBondContact SD-CA 3.23Å; M118-W363 HydrophobicContact SD-CB 3.65Å; M118-W363 HydrophobicContact SD-CG 4.06Å; S359-W363 WeakPolarHBondContact O-CB 3.41Å; S359-W363 PolarHBondContact O-N 3.14Å; L360-W363 HydrophobicContact CD1-CE3 4.16Å; L360-W363 WeakPolarHBondContact O-CB 3.2Å; L360-W363 PolarHBondContact O-N 3.33Å; K361-W363 VanDerWaalsContact C-N 3.3Å; W363-R367 VanDerWaalsContact CE2-CD 3.44Å; W363-R367 VanDerWaalsContact CH2-NH1 3.29Å; W363-R367 WeakPolarHBondContact O-CB 3.47Å; W363-R367 VanDerWaalsContact O-CG 3.28Å; W363-R367 WeakPolarHBondContact O-CG 3.4Å; W363-R367 PolarHBondContact O-N 3.47Å; W363-R367 VanDerWaalsContact O-N 3.08Å
364F98.9Very high98.5Very high44 Ų4444.1 Ų44.119%0.19322%0.216CC..Hα-helixtrans-62.1-51175.4-87.3-133.7000111.4P87 L90 A91 L94 L360 K361 M362 F366 R367 M368P87-F364 HydrophobicContact CB-CB 4.21Å; P87-F364 WeakPolarHBondContact O-CD1 3.35Å; L90-F364 HydrophobicContact CB-CD1 4.47Å; L90-F364 HydrophobicContact CB-CE1 4.38Å; A91-F364 HydrophobicContact CB-CB 3.95Å; A91-F364 HydrophobicContact CB-CD1 3.81Å; A91-F364 HydrophobicContact CB-CD2 3.98Å; A91-F364 HydrophobicContact CB-CE1 4.27Å; A91-F364 HydrophobicContact CB-CE2 4.44Å; A91-F364 HydrophobicContact CB-CG 3.66Å; L94-F364 HydrophobicContact CD2-CZ 4.32Å; L360-F364 HydrophobicContact CD1-CD2 4.33Å; L360-F364 HydrophobicContact CD1-CE2 3.91Å; L360-F364 HydrophobicContact CG-CE2 4.33Å; L360-F364 WeakPolarHBondContact O-CD2 3.49Å; L360-F364 PolarHBondContact O-N 3.12Å; L360-F364 VanDerWaalsContact O-N 3.07Å; K361-F364 PolarHBondContact O-N 3.38Å; M362-F364 PolarHBondContact O-N 3.4Å; F364-F366 PolarHBondContact O-N 3.18Å; F364-R367 PolarHBondContact O-N 2.91Å; F364-M368 HydrophobicContact CD1-SD 4.43Å; F364-M368 VanDerWaalsContact O-CB 3.3Å; F364-M368 WeakPolarHBondContact O-CB 3.42Å; F364-M368 VanDerWaalsContact O-CG 3.28Å; F364-M368 WeakPolarHBondContact O-CG 3.37Å; F364-M368 PolarHBondContact O-N 3.44Å
365V98.9Very high98.6Very high0 Ų043.7 Ų43.70%020%0.204CC..Hα-helixtrans-58.5-49.4-179.3170.50000110.9P87 A88 L306 V307 K361 M362 R367 M368 Y369 L374P87-V365 HydrophobicContact CB-CG2 4.26Å; A88-V365 HydrophobicContact CB-CG2 3.69Å; L306-V365 HydrophobicContact CB-CG1 4.23Å; V307-V365 HydrophobicContact CG2-CB 4.14Å; V307-V365 HydrophobicContact CG2-CG1 4.11Å; V307-V365 HydrophobicContact CG2-CG2 4.09Å; K361-V365 WeakPolarHBondContact O-CB 3.19Å; K361-V365 VanDerWaalsContact O-CG2 3.29Å; K361-V365 WeakPolarHBondContact O-CG2 3.38Å; K361-V365 PolarHBondContact O-N 3.43Å; M362-V365 PolarHBondContact O-N 3.25Å; V365-R367 VanDerWaalsContact C-N 3.34Å; V365-R367 PolarHBondContact O-N 2.8Å; V365-M368 PolarHBondContact O-N 3.06Å; V365-Y369 HydrophobicContact CG1-CD2 3.9Å; V365-Y369 HydrophobicContact CG1-CE2 4.44Å; V365-Y369 WeakPolarHBondContact O-CB 3.26Å; V365-Y369 WeakPolarHBondContact O-CD2 3.48Å; V365-Y369 PolarHBondContact O-N 3.45Å; V365-L374 HydrophobicContact CG1-CD2 4.02Å
366F98.8Very high98.7Very high8 Ų846 Ų464%0.03522%0.224CC..Hα-helixtrans-63.7-39.7-177.7-66.9-5.8000112.3M118 W121 L122 M125 L305 M362 F364 G370 L374M118-F366 HydrophobicContact SD-CD2 4.04Å; W121-F366 HydrophobicContact CE3-CD2 4.35Å; L122-F366 HydrophobicContact CB-CE2 4.1Å; L122-F366 HydrophobicContact CB-CZ 4.2Å; L122-F366 HydrophobicContact CD1-CE2 4.41Å; L122-F366 HydrophobicContact CD1-CZ 3.78Å; L122-F366 HydrophobicContact CD2-CZ 4.21Å; L122-F366 HydrophobicContact CG-CZ 4.3Å; M125-F366 HydrophobicContact CE-CB 4.42Å; M125-F366 HydrophobicContact CE-CD2 3.79Å; M125-F366 HydrophobicContact CE-CE2 4.11Å; M125-F366 HydrophobicContact CE-CG 4.02Å; L305-F366 HydrophobicContact CD2-CE1 3.88Å; L305-F366 HydrophobicContact CD2-CZ 4.2Å; L305-F366 HydrophobicContact CG-CE1 4.46Å; M362-F366 HydrophobicContact CB-CE2 4.35Å; M362-F366 HydrophobicContact CB-CZ 4.43Å; M362-F366 HydrophobicContact CE-CE2 3.71Å; M362-F366 HydrophobicContact CE-CZ 3.57Å; M362-F366 WeakPolarHBondContact O-CB 3.5Å; M362-F366 WeakPolarHBondContact O-CD1 3.38Å; M362-F366 WeakPolarHBondContact O-CG 3.22Å; M362-F366 PolarHBondContact O-N 3.1Å; F364-F366 PolarHBondContact O-N 3.18Å; F366-G370 WeakPolarHBondContact O-CA 3.22Å; F366-G370 PolarHBondContact O-N 3.37Å; F366-L374 HydrophobicContact CD1-CD1 3.85Å; F366-L374 HydrophobicContact CE1-CD1 4.19Å
367R98.8Very high98.8Very high160 Ų16044 Ų4460%0.60422%0.216SC*.Hα-helixtrans-74.7-36.3179.6-70.4-170.370.7-168.13.2113.3W121 W363 F364 V365W121-R367 HydrophobicContact CZ3-CG 4.33Å; W363-R367 VanDerWaalsContact CE2-CD 3.44Å; W363-R367 VanDerWaalsContact CH2-NH1 3.29Å; W363-R367 WeakPolarHBondContact O-CB 3.47Å; W363-R367 VanDerWaalsContact O-CG 3.28Å; W363-R367 WeakPolarHBondContact O-CG 3.4Å; W363-R367 PolarHBondContact O-N 3.47Å; W363-R367 VanDerWaalsContact O-N 3.08Å; F364-R367 PolarHBondContact O-N 2.91Å; V365-R367 VanDerWaalsContact C-N 3.34Å; V365-R367 PolarHBondContact O-N 2.8Å
368M98.7Very high98.8Very high119 Ų11943.2 Ų43.259%0.58621%0.213SC*.Hα-helixtrans-85.2-33.7-174.6-66.3-176.272.900113P87 F364 V365P87-M368 HydrophobicContact CB-CB 4.27Å; P87-M368 HydrophobicContact CB-CG 4.44Å; P87-M368 HydrophobicContact CB-SD 3.61Å; P87-M368 HydrophobicContact CG-CB 3.98Å; P87-M368 HydrophobicContact CG-CE 4.06Å; P87-M368 HydrophobicContact CG-CG 4.46Å; P87-M368 HydrophobicContact CG-SD 3.73Å; F364-M368 HydrophobicContact CD1-SD 4.43Å; F364-M368 VanDerWaalsContact O-CB 3.3Å; F364-M368 WeakPolarHBondContact O-CB 3.42Å; F364-M368 VanDerWaalsContact O-CG 3.28Å; F364-M368 WeakPolarHBondContact O-CG 3.37Å; F364-M368 PolarHBondContact O-N 3.44Å; V365-M368 PolarHBondContact O-N 3.06Å
369Y98.8Very high98.8Very high71 Ų7146.3 Ų46.328%0.27823%0.225SC..Hα-helixtrans-87.5-34.7173.6-75.9-79.9000112.7S85 P87 L306 V365 G373 L374S85-Y369 WeakPolarHBondContact CB-OH 3.29Å; P87-Y369 HydrophobicContact CG-CD2 4.44Å; P87-Y369 HydrophobicContact CG-CE2 3.87Å; L306-Y369 HydrophobicContact CB-CE2 4.36Å; L306-Y369 HydrophobicContact CD1-CD1 4.08Å; L306-Y369 HydrophobicContact CD1-CD2 4.34Å; L306-Y369 HydrophobicContact CD1-CE1 3.73Å; L306-Y369 HydrophobicContact CD1-CE2 4Å; L306-Y369 HydrophobicContact CD1-CG 4.37Å; V365-Y369 HydrophobicContact CG1-CD2 3.9Å; V365-Y369 HydrophobicContact CG1-CE2 4.44Å; V365-Y369 WeakPolarHBondContact O-CB 3.26Å; V365-Y369 WeakPolarHBondContact O-CD2 3.48Å; V365-Y369 PolarHBondContact O-N 3.45Å; Y369-G373 PolarHBondContact O-N 2.73Å; Y369-L374 HydrophobicContact CD2-CD2 4.45Å; Y369-L374 HydrophobicContact CG-CD2 4.19Å
370G98.8Very high98.8Very high27 Ų2749.3 Ų49.328%0.27824%0.238SC..Hα-helixtrans65162.6-165.600000112.7F366 K372 G373 L374F366-G370 WeakPolarHBondContact O-CA 3.22Å; F366-G370 PolarHBondContact O-N 3.37Å; G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 2.97Å; G370-G373 PolarHBondContact O-N 3.05Å; G370-L374 WeakPolarHBondContact O-CG 3.33Å; G370-L374 PolarHBondContact O-N 2.8Å; G370-L374 VanDerWaalsContact O-N 3.15Å
371V98.8Very high98.8Very high56 Ų5648.8 Ų48.834%0.33924%0.235SC..Hα-helixtrans-58.8-40.2-179.6-1800000111.6M125 G373 L374 Q375M125-V371 HydrophobicContact CE-CG2 3.87Å; M125-V371 HydrophobicContact CG-CG2 3.96Å; M125-V371 HydrophobicContact SD-CG2 3.95Å; V371-G373 PolarHBondContact O-N 3.13Å; V371-L374 PolarHBondContact O-N 3.32Å; V371-Q375 HydrophobicContact CG1-CG 4.22Å; V371-Q375 WeakPolarHBondContact O-CB 3.19Å; V371-Q375 VanDerWaalsContact O-CG 3.3Å; V371-Q375 WeakPolarHBondContact O-CG 3.2Å; V371-Q375 PolarHBondContact O-N 3.09Å
372K98.8Very high98.8Very high174 Ų17449.3 Ų49.376%0.75724%0.238SC*.Hα-helixtrans-62-40.4178.7-68.4-176178.5-178.90112.7G370 A376G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 2.97Å; K372-A376 WeakPolarHBondContact O-CB 3.26Å; K372-A376 PolarHBondContact O-N 2.97Å
373G98.8Very high98.8Very high27 Ų2752.2 Ų52.228%0.27826%0.262SS..Hα-helixtrans-66.7-42.8177.400000112Y369 G370 V371 A376 Y377Y369-G373 PolarHBondContact O-N 2.73Å; G370-G373 PolarHBondContact O-N 3.05Å; V371-G373 PolarHBondContact O-N 3.13Å; G373-A376 PolarHBondContact O-N 2.85Å; G373-Y377 PolarHBondContact O-N 2.98Å
374L98.9Very high98.8Very high1 Ų149 Ų491%0.00525%0.251CS..Hα-helixtrans-63.8-42.3175.6-63174.7000112.1I280 L305 L306 V365 F366 Y369 G370 V371 Y377 I378I280-L374 HydrophobicContact CD1-CB 3.59Å; L305-L374 HydrophobicContact CD1-CB 4.34Å; L305-L374 HydrophobicContact CD1-CD1 4.28Å; L305-L374 HydrophobicContact CD1-CD2 4.5Å; L305-L374 HydrophobicContact CG-CD1 4.5Å; L306-L374 HydrophobicContact CB-CD2 4.39Å; L306-L374 HydrophobicContact CD1-CD2 4.12Å; L306-L374 HydrophobicContact CG-CD2 4.49Å; V365-L374 HydrophobicContact CG1-CD2 4.02Å; F366-L374 HydrophobicContact CD1-CD1 3.85Å; F366-L374 HydrophobicContact CE1-CD1 4.19Å; Y369-L374 HydrophobicContact CD2-CD2 4.45Å; Y369-L374 HydrophobicContact CG-CD2 4.19Å; G370-L374 WeakPolarHBondContact O-CG 3.33Å; G370-L374 PolarHBondContact O-N 2.8Å; G370-L374 VanDerWaalsContact O-N 3.15Å; V371-L374 PolarHBondContact O-N 3.32Å; L374-Y377 WeakPolarHBondContact O-CB 3.26Å; L374-Y377 PolarHBondContact O-N 2.73Å; L374-I378 PolarHBondContact O-N 3.34Å; L374-I378 VanDerWaalsContact O-N 3.17Å
375Q98.9Very high98.8Very high29 Ų2946.9 Ų46.914%0.13624%0.241CC..Hα-helixtrans-63.2-43.3174.8-72.5173.5-13.900111.9I280 V371 Y377 I378 R379I280-Q375 HydrophobicContact CD1-CG 4.09Å; I280-Q375 HydrophobicContact CG1-CG 3.92Å; I280-Q375 PolarHBondContact O-NE2 2.74Å; V371-Q375 HydrophobicContact CG1-CG 4.22Å; V371-Q375 WeakPolarHBondContact O-CB 3.19Å; V371-Q375 VanDerWaalsContact O-CG 3.3Å; V371-Q375 WeakPolarHBondContact O-CG 3.2Å; V371-Q375 PolarHBondContact O-N 3.09Å; Q375-Y377 VanDerWaalsContact C-N 3.31Å; Q375-Y377 PolarHBondContact O-N 3.35Å; Q375-I378 PolarHBondContact O-N 2.74Å; Q375-R379 WeakPolarHBondContact O-CB 3.2Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.17Å; Q375-R379 PolarHBondContact O-N 3.01Å
376A98.8Very high98.8Very high54 Ų5450.6 Ų50.645%0.44626%0.259SS..Hα-helixtrans-61.8-39.6177.300000111.9K372 G373 R379 K380K372-A376 WeakPolarHBondContact O-CB 3.26Å; K372-A376 PolarHBondContact O-N 2.97Å; G373-A376 PolarHBondContact O-N 2.85Å; A376-R379 PolarHBondContact O-N 2.74Å; A376-K380 WeakPolarHBondContact O-CB 3.06Å; A376-K380 PolarHBondContact O-N 2.88Å
377Y98.8Very high98.8Very high22 Ų2252.6 Ų52.69%0.08627%0.268CS..Hα-helixtrans-58.4-49.4174.4167-104.9000112.4W304 L306 G373 L374 Q375 K380 H381 R453W304-Y377 AromaticContact CD1-CE1 3.7Å; W304-Y377 AromaticContact CD1-CZ 3.97Å; L306-Y377 HydrophobicContact CD1-CD1 4.14Å; L306-Y377 HydrophobicContact CD1-CD2 4.22Å; L306-Y377 HydrophobicContact CD1-CG 3.96Å; L306-Y377 HydrophobicContact CD2-CD1 4.22Å; L306-Y377 HydrophobicContact CD2-CD2 4.1Å; L306-Y377 HydrophobicContact CD2-CE1 3.82Å; L306-Y377 HydrophobicContact CD2-CE2 3.67Å; L306-Y377 HydrophobicContact CD2-CG 4.34Å; L306-Y377 HydrophobicContact CG-CD1 3.92Å; L306-Y377 HydrophobicContact CG-CD2 4.42Å; L306-Y377 HydrophobicContact CG-CE1 3.9Å; L306-Y377 HydrophobicContact CG-CE2 4.38Å; L306-Y377 HydrophobicContact CG-CG 4.19Å; G373-Y377 PolarHBondContact O-N 2.98Å; L374-Y377 WeakPolarHBondContact O-CB 3.26Å; L374-Y377 PolarHBondContact O-N 2.73Å; Q375-Y377 VanDerWaalsContact C-N 3.31Å; Q375-Y377 PolarHBondContact O-N 3.35Å; Y377-K380 PolarHBondContact O-N 3.32Å; Y377-H381 AromaticContact CD2-NE2 3.78Å; Y377-H381 AromaticContact CE2-CD2 3.75Å; Y377-H381 AromaticContact CE2-CE1 3.65Å; Y377-H381 AromaticContact CE2-NE2 3.05Å; Y377-H381 WeakPolarHBondContact CE2-NE2 3.43Å; Y377-H381 AromaticContact CZ-CE1 3.62Å; Y377-H381 AromaticContact CZ-NE2 3.5Å; Y377-H381 PolarHBondContact O-CD2 2.98Å; Y377-H381 PolarHBondContact O-N 3.27Å; Y377-H381 PolarHBondContact OH-CE1 2.69Å; Y377-H381 VanDerWaalsContact OH-CE1 3.29Å; Y377-R453 HydrophobicContact CE2-CB 4.25Å; Y377-R453 HydrophobicContact CE2-CG 4.19Å
378I98.9Very high98.8Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-62.4-48.6177.8-69.2157.2000110.7S277 A278 I280 F284 W304 L305 L374 Q375 K380 H381 V382S277-I378 WeakPolarHBondContact O-CD1 3.22Å; A278-I378 HydrophobicContact CB-CG2 4.21Å; I280-I378 HydrophobicContact CD1-CD1 3.64Å; I280-I378 HydrophobicContact CG1-CD1 3.67Å; F284-I378 HydrophobicContact CD2-CG2 4.39Å; F284-I378 HydrophobicContact CE2-CG2 4.13Å; W304-I378 HydrophobicContact CH2-CG2 4.12Å; W304-I378 HydrophobicContact CZ2-CG2 4.37Å; W304-I378 HydrophobicContact CZ3-CG2 4.37Å; L305-I378 HydrophobicContact CD1-CD1 4.41Å; L374-I378 PolarHBondContact O-N 3.34Å; L374-I378 VanDerWaalsContact O-N 3.17Å; Q375-I378 PolarHBondContact O-N 2.74Å; I378-K380 VanDerWaalsContact C-N 3.26Å; I378-K380 PolarHBondContact O-N 3.34Å; I378-H381 PolarHBondContact O-N 3.26Å; I378-H381 VanDerWaalsContact O-N 3.08Å; I378-V382 HydrophobicContact CG2-CG2 4.41Å; I378-V382 WeakPolarHBondContact O-CG2 3.18Å; I378-V382 PolarHBondContact O-N 3.21Å
379R98.9Very high98.8Very high94 Ų9440.6 Ų40.636%0.35522%0.217SC..Hα-helixtrans-56.4-40.6179-74.1168176135.98.9112.2E283 Q375 A376 V382 A383E283-R379 IonicContact OE1-CZ 2.88Å; E283-R379 VanDerWaalsContact OE1-CZ 3.29Å; E283-R379 IonicContact OE1-NE 3.8Å; E283-R379 PolarHBondContact OE1-NE 3.32Å; E283-R379 IonicContact OE1-NH2 3.5Å; E283-R379 PolarHBondContact OE1-NH2 2.73Å; E283-R379 VanDerWaalsContact OE1-NH2 3.07Å; E283-R379 IonicContact OE2-CZ 3.7Å; E283-R379 IonicContact OE2-NE 3.34Å; E283-R379 IonicContact OE2-NH2 2.77Å; E283-R379 PolarHBondContact OE2-NH2 2.86Å; Q375-R379 WeakPolarHBondContact O-CB 3.2Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.17Å; Q375-R379 PolarHBondContact O-N 3.01Å; A376-R379 PolarHBondContact O-N 2.74Å; R379-V382 PolarHBondContact O-N 2.88Å; R379-A383 WeakPolarHBondContact O-CB 3.37Å; R379-A383 PolarHBondContact O-N 2.95Å
380K98.8Very high98.9Very high62 Ų6240 Ų4027%0.2722%0.223SC..Hα-helixtrans-60.1-47.2175.6179.9-177.1170.8-168.10111.4A376 Y377 I378 V382 A383 L384 V455 E456A376-K380 WeakPolarHBondContact O-CB 3.06Å; A376-K380 PolarHBondContact O-N 2.88Å; Y377-K380 PolarHBondContact O-N 3.32Å; I378-K380 VanDerWaalsContact C-N 3.26Å; I378-K380 PolarHBondContact O-N 3.34Å; K380-V382 VanDerWaalsContact C-N 3.33Å; K380-V382 PolarHBondContact O-N 3.06Å; K380-A383 PolarHBondContact O-N 2.88Å; K380-L384 HydrophobicContact CG-CD1 4.14Å; K380-L384 VanDerWaalsContact O-CG 3.31Å; K380-L384 WeakPolarHBondContact O-CG 3.18Å; K380-L384 PolarHBondContact O-N 3.44Å; K380-V455 WeakPolarHBondContact CE-O 3.5Å; K380-V455 PolarHBondContact NZ-O 3.36Å; K380-E456 WeakPolarHBondContact CE-OE2 3.18Å; K380-E456 IonicContact NZ-OE1 2.84Å; K380-E456 PolarHBondContact NZ-OE1 3.16Å; K380-E456 IonicContact NZ-OE2 2.81Å; K380-E456 PolarHBondContact NZ-OE2 3.15Å
381H98.8Very high98.9Very high0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-64.3-38179.4-78.6-135.9000112.4W304 Y377 I378 L384 S385 V450 C451 S452W304-H381 AromaticContact CD1-ND1 3.95Å; W304-H381 HydrophobicContact CZ2-CB 3.49Å; W304-H381 VanDerWaalsContact CZ2-CB 3.49Å; W304-H381 AromaticContact NE1-CE1 3.83Å; W304-H381 AromaticContact NE1-CG 3.49Å; W304-H381 AromaticContact NE1-ND1 3.07Å; W304-H381 PolarHBondContact NE1-ND1 2.77Å; Y377-H381 AromaticContact CD2-NE2 3.78Å; Y377-H381 AromaticContact CE2-CD2 3.75Å; Y377-H381 AromaticContact CE2-CE1 3.65Å; Y377-H381 AromaticContact CE2-NE2 3.05Å; Y377-H381 WeakPolarHBondContact CE2-NE2 3.43Å; Y377-H381 AromaticContact CZ-CE1 3.62Å; Y377-H381 AromaticContact CZ-NE2 3.5Å; Y377-H381 PolarHBondContact O-CD2 2.98Å; Y377-H381 PolarHBondContact O-N 3.27Å; Y377-H381 PolarHBondContact OH-CE1 2.69Å; Y377-H381 VanDerWaalsContact OH-CE1 3.29Å; I378-H381 PolarHBondContact O-N 3.26Å; I378-H381 VanDerWaalsContact O-N 3.08Å; H381-L384 PolarHBondContact O-N 3.39Å; H381-S385 PolarHBondContact O-N 3.4Å; H381-S385 PolarHBondContact O-OG 3.45Å; H381-V450 HydrophobicContact CB-CB 4.36Å; H381-V450 HydrophobicContact CB-CG1 4Å; H381-V450 PolarHBondContact ND1-O 3.36Å; H381-C451 PolarHBondContact CE1-O 3.34Å; H381-S452 PolarHBondContact CE1-O 3.3Å; H381-S452 VanDerWaalsContact CE1-O 3.26Å; H381-S452 PolarHBondContact NE2-O 3.31Å
382V98.9Very high98.9Very high10 Ų1037.6 Ų37.66%0.06120%0.202CC..Hα-helixtrans-67.5-39.1174.7178.70000111.5F284 W304 I378 R379 K380 L384 S385 H386 L406F284-V382 HydrophobicContact CE1-CG1 4.24Å; F284-V382 HydrophobicContact CE2-CG2 4.1Å; F284-V382 HydrophobicContact CZ-CB 4.12Å; F284-V382 HydrophobicContact CZ-CG1 3.86Å; F284-V382 HydrophobicContact CZ-CG2 3.86Å; W304-V382 HydrophobicContact CH2-CG2 3.82Å; W304-V382 HydrophobicContact CZ2-CG2 4.3Å; I378-V382 HydrophobicContact CG2-CG2 4.41Å; I378-V382 WeakPolarHBondContact O-CG2 3.18Å; I378-V382 PolarHBondContact O-N 3.21Å; R379-V382 PolarHBondContact O-N 2.88Å; K380-V382 VanDerWaalsContact C-N 3.33Å; K380-V382 PolarHBondContact O-N 3.06Å; V382-L384 VanDerWaalsContact C-N 3.33Å; V382-L384 PolarHBondContact O-N 3.39Å; V382-S385 PolarHBondContact O-N 3.33Å; V382-S385 PolarHBondContact O-OG 3.33Å; V382-H386 PolarHBondContact O-CD2 3.36Å; V382-H386 PolarHBondContact O-N 3.21Å; V382-H386 VanDerWaalsContact O-N 3.16Å; V382-L406 HydrophobicContact CG2-CD2 4.19Å
383A98.9Very high98.9Very high61 Ų6136.5 Ų36.550%0.50419%0.194SC..Hα-helixtrans-62.1-41.9174.400000111.8R379 K380 H386 E387R379-A383 WeakPolarHBondContact O-CB 3.37Å; R379-A383 PolarHBondContact O-N 2.95Å; K380-A383 PolarHBondContact O-N 2.88Å; A383-H386 PolarHBondContact O-N 2.88Å; A383-E387 PolarHBondContact O-N 3.38Å
384L98.9Very high98.8Very high10 Ų1041.8 Ų41.85%0.05221%0.211CC..Hα-helixtrans-68.1-33.5178.4-70174000113.2K380 H381 V382 E387 F388 V450 V455 V460K380-L384 HydrophobicContact CG-CD1 4.14Å; K380-L384 VanDerWaalsContact O-CG 3.31Å; K380-L384 WeakPolarHBondContact O-CG 3.18Å; K380-L384 PolarHBondContact O-N 3.44Å; H381-L384 PolarHBondContact O-N 3.39Å; V382-L384 VanDerWaalsContact C-N 3.33Å; V382-L384 PolarHBondContact O-N 3.39Å; L384-E387 PolarHBondContact O-N 3.07Å; L384-F388 PolarHBondContact O-N 3.17Å; L384-V450 HydrophobicContact CB-CG1 4.19Å; L384-V450 HydrophobicContact CB-CG2 4.27Å; L384-V450 HydrophobicContact CD1-CG1 4.23Å; L384-V455 HydrophobicContact CD1-CG1 3.72Å; L384-V455 HydrophobicContact CD1-CG2 4.44Å; L384-V460 HydrophobicContact CB-CG2 4.2Å; L384-V460 HydrophobicContact CD2-CG2 4.13Å
385S98.8Very high98.8Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-68.5-38.8173.558.50000111.7H381 V382 F388 E389 L406 V409H381-S385 PolarHBondContact O-N 3.4Å; H381-S385 PolarHBondContact O-OG 3.45Å; V382-S385 PolarHBondContact O-N 3.33Å; V382-S385 PolarHBondContact O-OG 3.33Å; S385-F388 PolarHBondContact O-N 3.14Å; S385-E389 WeakPolarHBondContact O-CB 3.14Å; S385-E389 PolarHBondContact O-N 3.44Å; S385-L406 WeakPolarHBondContact CB-O 3.4Å; S385-L406 PolarHBondContact OG-O 2.92Å; S385-V409 WeakPolarHBondContact O-CG2 3.2Å
386H98.9Very high98.8Very high78 Ų7846 Ų4636%0.36124%0.24SC..Hα-helixtrans-69.4-31173.3-75.2-62.9000113.4V382 A383 E389 S390 V404V382-H386 PolarHBondContact O-CD2 3.36Å; V382-H386 PolarHBondContact O-N 3.21Å; V382-H386 VanDerWaalsContact O-N 3.16Å; A383-H386 PolarHBondContact O-N 2.88Å; H386-E389 IonicContact CE1-OE2 3.76Å; H386-E389 IonicContact CG-OE2 3.52Å; H386-E389 IonicContact ND1-OE2 3.76Å; H386-E389 PolarHBondContact ND1-OE2 3.17Å; H386-E389 PolarHBondContact O-N 3.11Å; H386-S390 WeakPolarHBondContact O-CB 3.39Å; H386-S390 PolarHBondContact O-N 3.35Å; H386-V404 PolarHBondContact CE1-O 2.84Å
387E98.9Very high98.8Very high49 Ų4946.6 Ų46.623%0.22923%0.231CC..Hα-helixtrans-60.2-50.3168.8-176.7-179.5166.200110.5A383 L384 E389 S390 L391 S457 Q461A383-E387 PolarHBondContact O-N 3.38Å; L384-E387 PolarHBondContact O-N 3.07Å; E387-E389 PolarHBondContact O-N 2.83Å; E387-S390 WeakPolarHBondContact O-CB 3.41Å; E387-S390 PolarHBondContact O-N 3.12Å; E387-L391 WeakPolarHBondContact O-CG 3.31Å; E387-L391 PolarHBondContact O-N 2.87Å; E387-S457 VanDerWaalsContact CD-OG 3.24Å; E387-S457 PolarHBondContact OE1-OG 3.42Å; E387-S457 VanDerWaalsContact OE2-CB 3.24Å; E387-S457 WeakPolarHBondContact OE2-CB 3.35Å; E387-S457 PolarHBondContact OE2-OG 2.92Å; E387-S457 VanDerWaalsContact OE2-OG 3.11Å; E387-Q461 PolarHBondContact OE1-NE2 3.38Å
388F98.9Very high98.8Very high0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-60.3-43.3175.9-174.8-100.8000112.3L384 S385 S390 L391 V392 V409 F411 F448 V460 W464 I467L384-F388 PolarHBondContact O-N 3.17Å; S385-F388 PolarHBondContact O-N 3.14Å; F388-S390 VanDerWaalsContact C-N 3.32Å; F388-S390 PolarHBondContact O-N 3.31Å; F388-L391 WeakPolarHBondContact O-CB 3.31Å; F388-L391 PolarHBondContact O-N 3.03Å; F388-V392 HydrophobicContact CD1-CG2 3.94Å; F388-V392 HydrophobicContact CE1-CG2 3.52Å; F388-V392 HydrophobicContact CE2-CG2 4.35Å; F388-V392 HydrophobicContact CZ-CG2 3.76Å; F388-V392 WeakPolarHBondContact O-CG2 3.38Å; F388-V392 PolarHBondContact O-N 2.8Å; F388-V409 HydrophobicContact CD1-CB 3.74Å; F388-V409 HydrophobicContact CD1-CG1 3.83Å; F388-V409 HydrophobicContact CD1-CG2 3.89Å; F388-V409 HydrophobicContact CE1-CB 4.13Å; F388-V409 HydrophobicContact CE1-CG1 4.06Å; F388-F411 AromaticContact CE1-CD1 3.88Å; F388-F411 HydrophobicContact CE1-CD1 3.88Å; F388-F411 AromaticContact CE1-CE1 3.92Å; F388-F411 HydrophobicContact CE1-CE1 3.92Å; F388-F411 HydrophobicContact CE1-CG 4.4Å; F388-F411 HydrophobicContact CE1-CZ 4.46Å; F388-F411 HydrophobicContact CZ-CD1 4.26Å; F388-F411 AromaticContact CZ-CE1 3.89Å; F388-F411 HydrophobicContact CZ-CE1 3.89Å; F388-F411 HydrophobicContact CZ-CE2 4.48Å; F388-F411 HydrophobicContact CZ-CZ 4.02Å; F388-F448 HydrophobicContact CB-CD1 4.25Å; F388-F448 HydrophobicContact CB-CE1 4.1Å; F388-F448 HydrophobicContact CD1-CB 4.01Å; F388-F448 AromaticContact CD1-CD1 3.72Å; F388-F448 HydrophobicContact CD1-CD1 3.72Å; F388-F448 HydrophobicContact CD1-CD2 4.48Å; F388-F448 HydrophobicContact CD1-CE1 4.29Å; F388-F448 AromaticContact CD1-CG 3.83Å; F388-F448 HydrophobicContact CD1-CG 3.83Å; F388-F448 HydrophobicContact CD2-CD1 4.08Å; F388-F448 HydrophobicContact CD2-CD2 4.17Å; F388-F448 AromaticContact CD2-CE1 3.89Å; F388-F448 HydrophobicContact CD2-CE1 3.89Å; F388-F448 AromaticContact CD2-CE2 3.98Å; F388-F448 HydrophobicContact CD2-CE2 3.98Å; F388-F448 HydrophobicContact CD2-CG 4.21Å; F388-F448 AromaticContact CD2-CZ 3.83Å; F388-F448 HydrophobicContact CD2-CZ 3.83Å; F388-F448 HydrophobicContact CE1-CB 3.55Å; F388-F448 HydrophobicContact CE1-CD1 4.04Å; F388-F448 HydrophobicContact CE1-CD2 4.05Å; F388-F448 AromaticContact CE1-CG 3.62Å; F388-F448 HydrophobicContact CE1-CG 3.62Å; F388-F448 HydrophobicContact CE2-CD1 4.37Å; F388-F448 AromaticContact CE2-CD2 3.71Å; F388-F448 HydrophobicContact CE2-CD2 3.71Å; F388-F448 HydrophobicContact CE2-CE1 4.41Å; F388-F448 AromaticContact CE2-CE2 3.75Å; F388-F448 HydrophobicContact CE2-CE2 3.75Å; F388-F448 HydrophobicContact CE2-CG 4.03Å; F388-F448 HydrophobicContact CE2-CZ 4.1Å; F388-F448 AromaticContact CG-CD1 3.74Å; F388-F448 HydrophobicContact CG-CD1 3.74Å; F388-F448 AromaticContact CG-CE1 3.82Å; F388-F448 HydrophobicContact CG-CE1 3.82Å; F388-F448 HydrophobicContact CG-CG 4.11Å; F388-F448 HydrophobicContact CG-CZ 4.25Å; F388-F448 HydrophobicContact CZ-CB 3.96Å; F388-F448 HydrophobicContact CZ-CD1 4.35Å; F388-F448 AromaticContact CZ-CD2 3.65Å; F388-F448 HydrophobicContact CZ-CD2 3.65Å; F388-F448 HydrophobicContact CZ-CE2 4.19Å; F388-F448 AromaticContact CZ-CG 3.73Å; F388-F448 HydrophobicContact CZ-CG 3.73Å; F388-V460 HydrophobicContact CB-CG1 3.69Å; F388-V460 HydrophobicContact CD2-CG1 3.96Å; F388-V460 HydrophobicContact CG-CG1 4.31Å; F388-W464 HydrophobicContact CD2-CB 4.34Å; F388-W464 HydrophobicContact CE2-CB 4.13Å; F388-W464 AromaticContact CE2-CE3 3.87Å; F388-W464 HydrophobicContact CE2-CE3 3.87Å; F388-W464 HydrophobicContact CZ-CE3 4.1Å; F388-I467 HydrophobicContact CE2-CD1 4.06Å; F388-I467 HydrophobicContact CZ-CD1 4.04Å
389E98.9Very high98.8Very high27 Ų2748.7 Ų48.713%0.12624%0.241CC..Hα-helixtrans-55.1-47.4175.1-174.7-166.4-178.700111.5S385 H386 E387 L391 V392 R393 I400 V404 V409S385-E389 WeakPolarHBondContact O-CB 3.14Å; S385-E389 PolarHBondContact O-N 3.44Å; H386-E389 IonicContact CE1-OE2 3.76Å; H386-E389 IonicContact CG-OE2 3.52Å; H386-E389 IonicContact ND1-OE2 3.76Å; H386-E389 PolarHBondContact ND1-OE2 3.17Å; H386-E389 PolarHBondContact O-N 3.11Å; E387-E389 PolarHBondContact O-N 2.83Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.22Å; E389-V392 PolarHBondContact O-N 3.5Å; E389-R393 WeakPolarHBondContact O-CG 3.28Å; E389-R393 PolarHBondContact O-N 3.22Å; E389-R393 IonicContact OE1-CZ 3.72Å; E389-R393 VanDerWaalsContact OE1-CZ 3.25Å; E389-R393 IonicContact OE1-NE 3.21Å; E389-R393 PolarHBondContact OE1-NE 3.26Å; E389-R393 IonicContact OE1-NH2 3.31Å; E389-R393 PolarHBondContact OE1-NH2 2.96Å; E389-I400 HydrophobicContact CG-CD1 4.13Å; E389-I400 HydrophobicContact CG-CG1 4.26Å; E389-V404 HydrophobicContact CB-CG2 4.15Å; E389-V404 HydrophobicContact CG-CB 4.38Å; E389-V404 HydrophobicContact CG-CG2 3.78Å; E389-V409 HydrophobicContact CB-CG2 4.48Å
390S98.8Very high98.7Very high58 Ų5845.7 Ų45.741%0.40623%0.231SC..Hα-helixtrans-60.2-43.8177.7-177.90000111.8H386 E387 F388 V392 R393 Q394H386-S390 WeakPolarHBondContact O-CB 3.39Å; H386-S390 PolarHBondContact O-N 3.35Å; E387-S390 WeakPolarHBondContact O-CB 3.41Å; E387-S390 PolarHBondContact O-N 3.12Å; F388-S390 VanDerWaalsContact C-N 3.32Å; F388-S390 PolarHBondContact O-N 3.31Å; S390-V392 PolarHBondContact O-N 2.68Å; S390-R393 PolarHBondContact O-N 3.21Å; S390-Q394 VanDerWaalsContact O-CG 3.28Å; S390-Q394 WeakPolarHBondContact O-CG 3.3Å; S390-Q394 PolarHBondContact O-N 3.03Å; S390-Q394 VanDerWaalsContact O-N 3.17Å; S390-Q394 PolarHBondContact O-NE2 2.7Å; S390-Q394 PolarHBondContact OG-NE2 2.99Å; S390-Q394 VanDerWaalsContact OG-NE2 3.13Å
391L98.9Very high98.7Very high33 Ų3344.4 Ų44.417%0.17323%0.23CC..Hα-helixtrans-60.8-43.4177-70.4173000112.1E387 F388 E389 Q394 V460 Q461 W464E387-L391 WeakPolarHBondContact O-CG 3.31Å; E387-L391 PolarHBondContact O-N 2.87Å; F388-L391 WeakPolarHBondContact O-CB 3.31Å; F388-L391 PolarHBondContact O-N 3.03Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.22Å; L391-Q394 PolarHBondContact O-N 3.3Å; L391-V460 HydrophobicContact CD1-CG1 4.35Å; L391-Q461 HydrophobicContact CD1-CG 4.32Å; L391-W464 HydrophobicContact CB-CD2 4.22Å; L391-W464 HydrophobicContact CB-CG 3.9Å; L391-W464 HydrophobicContact CD1-CB 4Å; L391-W464 HydrophobicContact CD1-CG 4.09Å; L391-W464 WeakPolarHBondContact O-CZ2 3.41Å
392V98.9Very high98.6Very high1 Ų145.4 Ų45.41%0.00624%0.236CC..Hα-helixtrans-64.9-44177.4175.30000111.2F388 E389 S390 Q394 D395 F398 I400 F411 W464F388-V392 HydrophobicContact CD1-CG2 3.94Å; F388-V392 HydrophobicContact CE1-CG2 3.52Å; F388-V392 HydrophobicContact CE2-CG2 4.35Å; F388-V392 HydrophobicContact CZ-CG2 3.76Å; F388-V392 WeakPolarHBondContact O-CG2 3.38Å; F388-V392 PolarHBondContact O-N 2.8Å; E389-V392 PolarHBondContact O-N 3.5Å; S390-V392 PolarHBondContact O-N 2.68Å; V392-Q394 PolarHBondContact O-N 3.15Å; V392-D395 PolarHBondContact O-N 3.34Å; V392-D395 VanDerWaalsContact O-N 3.15Å; V392-F398 HydrophobicContact CG1-CB 3.79Å; V392-I400 HydrophobicContact CB-CD1 3.88Å; V392-I400 HydrophobicContact CG1-CD1 3.6Å; V392-I400 HydrophobicContact CG1-CG1 4.18Å; V392-I400 HydrophobicContact CG2-CD1 4.49Å; V392-F411 HydrophobicContact CG1-CB 4Å; V392-F411 HydrophobicContact CG1-CD2 4.43Å; V392-F411 HydrophobicContact CG2-CD2 4.41Å; V392-F411 HydrophobicContact CG2-CG 4.45Å; V392-W464 HydrophobicContact CB-CH2 4.23Å; V392-W464 HydrophobicContact CB-CZ3 4.38Å; V392-W464 HydrophobicContact CG1-CH2 4.45Å; V392-W464 HydrophobicContact CG2-CE3 3.98Å; V392-W464 HydrophobicContact CG2-CH2 3.95Å; V392-W464 HydrophobicContact CG2-CZ3 3.6Å
393R98.6Very high98.5Very high151 Ų15151.9 Ų51.957%0.5727%0.266SS*.Hα-helixtrans-64.5-26.7-179.6-72.7-178.7-176.4-72.80.3113.4E389 S390 D395 I400E389-R393 WeakPolarHBondContact O-CG 3.28Å; E389-R393 PolarHBondContact O-N 3.22Å; E389-R393 IonicContact OE1-CZ 3.72Å; E389-R393 VanDerWaalsContact OE1-CZ 3.25Å; E389-R393 IonicContact OE1-NE 3.21Å; E389-R393 PolarHBondContact OE1-NE 3.26Å; E389-R393 IonicContact OE1-NH2 3.31Å; E389-R393 PolarHBondContact OE1-NH2 2.96Å; S390-R393 PolarHBondContact O-N 3.21Å; R393-D395 VanDerWaalsContact C-N 3.29Å; R393-I400 HydrophobicContact CG-CG1 3.86Å
394Q98.6Very high98.5Very high137 Ų13749.3 Ų49.364%0.6424%0.244SC*.Hα-helixtrans-73.6-19.1177-72169.749.900113.2S390 L391 V392S390-Q394 VanDerWaalsContact O-CG 3.28Å; S390-Q394 WeakPolarHBondContact O-CG 3.3Å; S390-Q394 PolarHBondContact O-N 3.03Å; S390-Q394 VanDerWaalsContact O-N 3.17Å; S390-Q394 PolarHBondContact O-NE2 2.7Å; S390-Q394 PolarHBondContact OG-NE2 2.99Å; S390-Q394 VanDerWaalsContact OG-NE2 3.13Å; L391-Q394 PolarHBondContact O-N 3.3Å; V392-Q394 PolarHBondContact O-N 3.15Å
395D98.6Very high98.4Very high17 Ų1750.3 Ų50.39%0.09125%0.249CC..SBendtrans-98.1110.3177.7-169.5-34.8000110.9V392 R393 R397 F398 W464V392-D395 PolarHBondContact O-N 3.34Å; V392-D395 VanDerWaalsContact O-N 3.15Å; R393-D395 VanDerWaalsContact C-N 3.29Å; D395-R397 PolarHBondContact O-N 3.41Å; D395-R397 VanDerWaalsContact OD1-CB 3.25Å; D395-R397 WeakPolarHBondContact OD1-CB 3.28Å; D395-R397 VanDerWaalsContact OD1-CG 3.27Å; D395-R397 WeakPolarHBondContact OD1-CG 3.37Å; D395-R397 IonicContact OD1-CZ 3.97Å; D395-R397 PolarHBondContact OD1-N 2.65Å; D395-R397 VanDerWaalsContact OD1-N 3.07Å; D395-R397 IonicContact OD1-NE 3.96Å; D395-R397 PolarHBondContact OD1-NE 2.93Å; D395-R397 IonicContact OD1-NH2 2.73Å; D395-R397 IonicContact OD2-CZ 2.87Å; D395-R397 IonicContact OD2-NE 2.9Å; D395-R397 PolarHBondContact OD2-NE 2.74Å; D395-R397 IonicContact OD2-NH2 3.25Å; D395-R397 PolarHBondContact OD2-NH2 3.44Å; D395-F398 HydrophobicContact CB-CD2 3.93Å; D395-F398 PolarHBondContact O-N 2.91Å; D395-F398 VanDerWaalsContact O-N 3.07Å; D395-W464 HydrophobicContact CB-CH2 4.2Å; D395-W464 HydrophobicContact CB-CZ2 3.7Å
396P98.2Very high98.4Very high101 Ų10150.3 Ų50.366%0.65625%0.249SC*.THydrogen-bonded Turntrans-66.2-11.9-172.227.9-36.1000113.9F398 K414P396-F398 VanDerWaalsContact C-N 3.29Å; P396-K414 PolarHBondContact O-NZ 3.02Å
397R98.5Very high98.4Very high68 Ų6846.6 Ų46.626%0.25723%0.232SC..THydrogen-bonded Turntrans-75-20.9177.4-56.5175.4-64.9169.61.7112.3D395 L413 K414 R468 S472 L475D395-R397 PolarHBondContact O-N 3.41Å; D395-R397 VanDerWaalsContact OD1-CB 3.25Å; D395-R397 WeakPolarHBondContact OD1-CB 3.28Å; D395-R397 VanDerWaalsContact OD1-CG 3.27Å; D395-R397 WeakPolarHBondContact OD1-CG 3.37Å; D395-R397 IonicContact OD1-CZ 3.97Å; D395-R397 PolarHBondContact OD1-N 2.65Å; D395-R397 VanDerWaalsContact OD1-N 3.07Å; D395-R397 IonicContact OD1-NE 3.96Å; D395-R397 PolarHBondContact OD1-NE 2.93Å; D395-R397 IonicContact OD1-NH2 2.73Å; D395-R397 IonicContact OD2-CZ 2.87Å; D395-R397 IonicContact OD2-NE 2.9Å; D395-R397 PolarHBondContact OD2-NE 2.74Å; D395-R397 IonicContact OD2-NH2 3.25Å; D395-R397 PolarHBondContact OD2-NH2 3.44Å; R397-L413 HydrophobicContact CB-CD2 4.06Å; R397-K414 PolarHBondContact O-N 3.45Å; R397-R468 PolarHBondContact NH2-O 2.69Å; R397-S472 PolarHBondContact NH1-OG 3.21Å; R397-L475 HydrophobicContact CB-CD1 4.38Å; R397-L475 HydrophobicContact CG-CD1 4.33Å
398F98.8Very high98.4Very high7 Ų744.5 Ų44.53%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-105.8163.2-177.6-66.1-94.6000112.2V392 D395 P396 F411 R412 L413 K414 L423 W464 I467 A471V392-F398 HydrophobicContact CG1-CB 3.79Å; D395-F398 HydrophobicContact CB-CD2 3.93Å; D395-F398 PolarHBondContact O-N 2.91Å; D395-F398 VanDerWaalsContact O-N 3.07Å; P396-F398 VanDerWaalsContact C-N 3.29Å; F398-F411 AromaticContact CD1-CD2 3.83Å; F398-F411 HydrophobicContact CD1-CD2 3.83Å; F398-F411 HydrophobicContact CD1-CE2 4.18Å; F398-F411 HydrophobicContact CE1-CD2 4.15Å; F398-F411 HydrophobicContact CE1-CE2 4.02Å; F398-R412 CarbonylContact C-O 3.53Å; F398-R412 VanDerWaalsContact CA-O 3.27Å; F398-R412 WeakPolarHBondContact CA-O 3.16Å; F398-L413 HydrophobicContact CD1-CD2 3.77Å; F398-L413 HydrophobicContact CD1-CG 4.09Å; F398-L413 HydrophobicContact CD2-CD2 4.01Å; F398-L413 HydrophobicContact CE1-CD2 3.5Å; F398-L413 HydrophobicContact CE1-CG 3.72Å; F398-L413 HydrophobicContact CE2-CD2 3.76Å; F398-L413 HydrophobicContact CG-CD2 4.05Å; F398-L413 HydrophobicContact CZ-CD2 3.52Å; F398-L413 HydrophobicContact CZ-CG 4.14Å; F398-K414 VanDerWaalsContact O-CE 3.24Å; F398-K414 WeakPolarHBondContact O-CE 3.33Å; F398-L423 HydrophobicContact CE1-CD2 4Å; F398-L423 HydrophobicContact CZ-CD2 4.47Å; F398-W464 HydrophobicContact CD1-CH2 4.42Å; F398-W464 AromaticContact CD2-CH2 3.61Å; F398-W464 HydrophobicContact CD2-CH2 3.61Å; F398-W464 HydrophobicContact CD2-CZ2 4.43Å; F398-W464 HydrophobicContact CD2-CZ3 4.46Å; F398-W464 HydrophobicContact CE1-CH2 4.44Å; F398-W464 HydrophobicContact CE1-CZ3 4.41Å; F398-W464 AromaticContact CE2-CH2 3.64Å; F398-W464 HydrophobicContact CE2-CH2 3.64Å; F398-W464 HydrophobicContact CE2-CZ2 4.45Å; F398-W464 HydrophobicContact CE2-CZ3 4.27Å; F398-W464 AromaticContact CG-CH2 3.99Å; F398-W464 HydrophobicContact CG-CH2 3.99Å; F398-W464 HydrophobicContact CZ-CH2 4.05Å; F398-W464 HydrophobicContact CZ-CZ3 4.21Å; F398-I467 HydrophobicContact CE1-CG2 4.17Å; F398-I467 HydrophobicContact CZ-CG2 4.01Å; F398-A471 HydrophobicContact CE1-CB 4.47Å; F398-A471 HydrophobicContact CE2-CB 4.08Å; F398-A471 HydrophobicContact CZ-CB 3.52Å
399E98.5Very high98.4Very high58 Ų5844.5 Ų44.527%0.27122%0.222SC..EExtended strand (participates in β ladder)trans-136.5143.1170.162.5-175.8176.900110.5F411 R412 K414E399-F411 VanDerWaalsContact O-CA 3.32Å; E399-F411 WeakPolarHBondContact O-CA 3.33Å; E399-R412 HydrophobicContact CG-CG 3.53Å; E399-R412 PolarHBondContact N-O 3.46Å; E399-R412 PolarHBondContact O-N 3.16Å; E399-R412 VanDerWaalsContact OE1-CD 3.32Å; E399-R412 WeakPolarHBondContact OE1-CD 3.45Å; E399-R412 WeakPolarHBondContact OE1-CG 3.45Å; E399-R412 IonicContact OE1-CZ 2.74Å; E399-R412 IonicContact OE1-NE 3.96Å; E399-R412 IonicContact OE1-NH1 3.24Å; E399-R412 PolarHBondContact OE1-NH1 3.24Å; E399-K414 HydrophobicContact CB-CG 4.18Å; E399-K414 HydrophobicContact CG-CG 4.21Å
400I98.5Very high98.4Very high31 Ų3143.2 Ų43.216%0.15922%0.216CC..EExtended strand (participates in β ladder)trans-83.4128.8168.1-64.3-65.4000107.9E389 V392 R393 T402 V404 V409 F411E389-I400 HydrophobicContact CG-CD1 4.13Å; E389-I400 HydrophobicContact CG-CG1 4.26Å; V392-I400 HydrophobicContact CB-CD1 3.88Å; V392-I400 HydrophobicContact CG1-CD1 3.6Å; V392-I400 HydrophobicContact CG1-CG1 4.18Å; V392-I400 HydrophobicContact CG2-CD1 4.49Å; R393-I400 HydrophobicContact CG-CG1 3.86Å; I400-T402 WeakPolarHBondContact CG2-O 3.37Å; I400-V404 HydrophobicContact CG2-CG2 4.42Å; I400-V409 HydrophobicContact CD1-CG1 3.6Å; I400-F411 HydrophobicContact CD1-CB 4.18Å
401C97.8Very high98.4Very high35 Ų3540.4 Ų40.424%0.23620%0.197CC..  trans-90.8-25.5-170.2-62.20000113.7C410 R412 L440 V445C401-C410 HydrophobicContact CB-CB 4.23Å; C401-C410 PolarHBondContact N-O 3Å; C401-R412 VanDerWaalsContact SG-CD 3.51Å; C401-R412 VanDerWaalsContact SG-CG 3.59Å; C401-L440 HydrophobicContact CB-CD1 3.94Å; C401-V445 HydrophobicContact CB-CG1 4.06Å; C401-V445 HydrophobicContact CB-CG2 4.22Å
402T96.6Very high98.4Very high22 Ų2239.5 Ų39.514%0.13519%0.191CC..SBendtrans-146.3160.3-179.757.10000110.3F215 C248 I400 V404 L440F215-T402 HydrophobicContact CD2-CG2 3.75Å; F215-T402 HydrophobicContact CE2-CG2 3.62Å; C248-T402 HydrophobicContact CB-CG2 3.71Å; I400-T402 WeakPolarHBondContact CG2-O 3.37Å; T402-V404 PolarHBondContact O-N 2.81Å; T402-L440 HydrophobicContact CG2-CD1 3.59Å
403E97Very high98.4Very high145 Ų14539.5 Ų39.568%0.67819%0.191SC*.  trans-56.8137.1171.7-173.2176-169.900111.1I405E403-I405 HydrophobicContact CB-CG1 4.5Å; E403-I405 HydrophobicContact CG-CG1 4.01Å
404V98.4Very high98.3Very high7 Ų737.5 Ų37.54%0.04219%0.186CC..  trans-93.7108.9176179.60000107.6H386 E389 I400 T402 V409H386-V404 PolarHBondContact CE1-O 2.84Å; E389-V404 HydrophobicContact CB-CG2 4.15Å; E389-V404 HydrophobicContact CG-CB 4.38Å; E389-V404 HydrophobicContact CG-CG2 3.78Å; I400-V404 HydrophobicContact CG2-CG2 4.42Å; T402-V404 PolarHBondContact O-N 2.81Å; V404-V409 HydrophobicContact CG1-CG2 3.9Å; V404-V409 HydrophobicContact CG2-CB 4.3Å; V404-V409 HydrophobicContact CG2-CG1 3.98Å; V404-V409 HydrophobicContact CG2-CG2 3.97Å
405I97.9Very high98.2Very high31 Ų3133.2 Ų33.216%0.15918%0.179CC..  trans-105.5-40.8-176.8-58.2172.9000111.1F251 L287 E403F251-I405 HydrophobicContact CD2-CD1 3.71Å; F251-I405 HydrophobicContact CE2-CB 4.19Å; F251-I405 HydrophobicContact CE2-CD1 3.65Å; F251-I405 HydrophobicContact CE2-CG2 4.01Å; F251-I405 HydrophobicContact CZ-CG2 4.45Å; L287-I405 HydrophobicContact CD1-CG2 3.77Å; L287-I405 HydrophobicContact CD2-CG2 4.38Å; E403-I405 HydrophobicContact CB-CG1 4.5Å; E403-I405 HydrophobicContact CG-CG1 4.01Å
406L98.7Very high98.2Very high1 Ų135 Ų351%0.00519%0.193CC..SBendtrans-128-146.7-175.5-63.4178.9000110F251 Y274 A275 A278 F284 W304 V382 S385 L408F251-L406 HydrophobicContact CZ-CD1 3.82Å; F251-L406 HydrophobicContact CZ-CG 4.43Å; Y274-L406 HydrophobicContact CE1-CB 4.28Å; Y274-L406 HydrophobicContact CE1-CD1 4.42Å; A275-L406 HydrophobicContact CB-CD1 3.61Å; A278-L406 HydrophobicContact CB-CD1 4.07Å; A278-L406 HydrophobicContact CB-CD2 3.78Å; F284-L406 HydrophobicContact CD1-CD2 3.93Å; F284-L406 HydrophobicContact CD2-CD2 4.29Å; F284-L406 HydrophobicContact CE1-CD2 4.2Å; F284-L406 HydrophobicContact CG-CD2 4Å; W304-L406 HydrophobicContact CH2-CB 4.04Å; W304-L406 HydrophobicContact CZ3-CB 4.16Å; W304-L406 HydrophobicContact CZ3-CD1 4.21Å; W304-L406 HydrophobicContact CZ3-CD2 4.49Å; V382-L406 HydrophobicContact CG2-CD2 4.19Å; S385-L406 WeakPolarHBondContact CB-O 3.4Å; S385-L406 PolarHBondContact OG-O 2.92Å; L406-L408 VanDerWaalsContact C-N 3.26Å; L406-L408 PolarHBondContact O-N 3.39Å; L406-L408 VanDerWaalsContact O-N 3.17Å
407G98.4Very high98.2Very high0 Ų032.5 Ų32.50%017%0.174CC..SBendtrans-80.920-174.800000116.1Y274 A449 V450Y274-G407 WeakPolarHBondContact OH-CA 3.45Å; Y274-G407 PolarHBondContact OH-N 2.9Å; Y274-G407 VanDerWaalsContact OH-N 3.15Å; G407-A449 CarbonylContact O-C 3.31Å; G407-A449 WeakPolarHBondContact O-CA 3.42Å; G407-V450 PolarHBondContact O-N 3.37Å
408L98.8Very high98.2Very high4 Ų434.9 Ų34.92%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-122.8128.6179.5175.965.9000111.1F80 C249 L406 R447 A449F80-L408 HydrophobicContact CE1-CB 4.2Å; F80-L408 HydrophobicContact CE1-CD2 4.07Å; F80-L408 HydrophobicContact CZ-CD2 4.16Å; C249-L408 HydrophobicContact CB-CB 4.11Å; C249-L408 HydrophobicContact CB-CD2 3.75Å; C249-L408 HydrophobicContact CB-CG 4.46Å; L406-L408 VanDerWaalsContact C-N 3.26Å; L406-L408 PolarHBondContact O-N 3.39Å; L406-L408 VanDerWaalsContact O-N 3.17Å; L408-R447 HydrophobicContact CD1-CB 3.9Å; L408-R447 HydrophobicContact CD1-CG 4.39Å; L408-A449 HydrophobicContact CD1-CB 4.05Å
409V98.9Very high98.1Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-115.6125.8171.4-173.80000109.9S385 F388 E389 I400 V404 F448S385-V409 WeakPolarHBondContact O-CG2 3.2Å; F388-V409 HydrophobicContact CD1-CB 3.74Å; F388-V409 HydrophobicContact CD1-CG1 3.83Å; F388-V409 HydrophobicContact CD1-CG2 3.89Å; F388-V409 HydrophobicContact CE1-CB 4.13Å; F388-V409 HydrophobicContact CE1-CG1 4.06Å; E389-V409 HydrophobicContact CB-CG2 4.48Å; I400-V409 HydrophobicContact CD1-CG1 3.6Å; V404-V409 HydrophobicContact CG1-CG2 3.9Å; V404-V409 HydrophobicContact CG2-CB 4.3Å; V404-V409 HydrophobicContact CG2-CG1 3.98Å; V404-V409 HydrophobicContact CG2-CG2 3.97Å; V409-F448 HydrophobicContact CB-CB 4.44Å; V409-F448 PolarHBondContact N-O 2.79Å; V409-F448 PolarHBondContact O-N 3.09Å
410C98.8Very high98.1Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-104.5118175.4-72.40000109.5S247 C401 V445 L446S247-C410 PolarHBondContact O-SG 3.09Å; C401-C410 HydrophobicContact CB-CB 4.23Å; C401-C410 PolarHBondContact N-O 3Å; C410-V445 HydrophobicContact CB-CG1 3.75Å; C410-L446 WeakPolarHBondContact CA-O 3.31Å
411F98.9Very high98.1Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-143.4160.6-17375-72.6000111.8F388 V392 F398 E399 I400 L435 L446 F448 W464 I467F388-F411 AromaticContact CE1-CD1 3.88Å; F388-F411 HydrophobicContact CE1-CD1 3.88Å; F388-F411 AromaticContact CE1-CE1 3.92Å; F388-F411 HydrophobicContact CE1-CE1 3.92Å; F388-F411 HydrophobicContact CE1-CG 4.4Å; F388-F411 HydrophobicContact CE1-CZ 4.46Å; F388-F411 HydrophobicContact CZ-CD1 4.26Å; F388-F411 AromaticContact CZ-CE1 3.89Å; F388-F411 HydrophobicContact CZ-CE1 3.89Å; F388-F411 HydrophobicContact CZ-CE2 4.48Å; F388-F411 HydrophobicContact CZ-CZ 4.02Å; V392-F411 HydrophobicContact CG1-CB 4Å; V392-F411 HydrophobicContact CG1-CD2 4.43Å; V392-F411 HydrophobicContact CG2-CD2 4.41Å; V392-F411 HydrophobicContact CG2-CG 4.45Å; F398-F411 AromaticContact CD1-CD2 3.83Å; F398-F411 HydrophobicContact CD1-CD2 3.83Å; F398-F411 HydrophobicContact CD1-CE2 4.18Å; F398-F411 HydrophobicContact CE1-CD2 4.15Å; F398-F411 HydrophobicContact CE1-CE2 4.02Å; E399-F411 VanDerWaalsContact O-CA 3.32Å; E399-F411 WeakPolarHBondContact O-CA 3.33Å; I400-F411 HydrophobicContact CD1-CB 4.18Å; F411-L435 HydrophobicContact CZ-CD1 4.38Å; F411-L446 HydrophobicContact CD1-CB 4.17Å; F411-L446 WeakPolarHBondContact CD1-O 3.07Å; F411-L446 HydrophobicContact CE1-CB 3.7Å; F411-L446 HydrophobicContact CE2-CB 4.39Å; F411-L446 HydrophobicContact CE2-CD2 4.34Å; F411-L446 HydrophobicContact CZ-CB 3.82Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 3.24Å; F411-L446 PolarHBondContact O-N 2.83Å; F411-F448 HydrophobicContact CD1-CB 4.48Å; F411-F448 HydrophobicContact CE1-CB 4.04Å; F411-W464 HydrophobicContact CE2-CZ3 4.48Å; F411-I467 HydrophobicContact CE2-CG2 4.01Å; F411-I467 HydrophobicContact CZ-CD1 4.05Å; F411-I467 HydrophobicContact CZ-CG2 4.36Å
412R98.7Very high98.2Very high14 Ų1434.1 Ų34.15%0.05318%0.183CC..EExtended strand (participates in β ladder)trans-154.2158.9175.967.6-167.9-65-98.6-0.5111.2F398 E399 C401 G415 N417 N420 F444F398-R412 CarbonylContact C-O 3.53Å; F398-R412 VanDerWaalsContact CA-O 3.27Å; F398-R412 WeakPolarHBondContact CA-O 3.16Å; E399-R412 HydrophobicContact CG-CG 3.53Å; E399-R412 PolarHBondContact N-O 3.46Å; E399-R412 PolarHBondContact O-N 3.16Å; E399-R412 VanDerWaalsContact OE1-CD 3.32Å; E399-R412 WeakPolarHBondContact OE1-CD 3.45Å; E399-R412 WeakPolarHBondContact OE1-CG 3.45Å; E399-R412 IonicContact OE1-CZ 2.74Å; E399-R412 IonicContact OE1-NE 3.96Å; E399-R412 IonicContact OE1-NH1 3.24Å; E399-R412 PolarHBondContact OE1-NH1 3.24Å; C401-R412 VanDerWaalsContact SG-CD 3.51Å; C401-R412 VanDerWaalsContact SG-CG 3.59Å; R412-G415 PolarHBondContact NH2-O 3.45Å; R412-N417 PolarHBondContact NH2-OD1 3.12Å; R412-N417 VanDerWaalsContact NH2-OD1 3.14Å; R412-N420 WeakPolarHBondContact CA-OD1 3.32Å; R412-N420 VanDerWaalsContact CB-OD1 3.28Å; R412-N420 WeakPolarHBondContact CB-OD1 3.28Å; R412-F444 PolarHBondContact NE-O 3.06Å
413L98.6Very high98.3Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-65.7137.6160.3-75.9174000109.5R397 F398 G415 L419 N420 L423 A471 L475R397-L413 HydrophobicContact CB-CD2 4.06Å; F398-L413 HydrophobicContact CD1-CD2 3.77Å; F398-L413 HydrophobicContact CD1-CG 4.09Å; F398-L413 HydrophobicContact CD2-CD2 4.01Å; F398-L413 HydrophobicContact CE1-CD2 3.5Å; F398-L413 HydrophobicContact CE1-CG 3.72Å; F398-L413 HydrophobicContact CE2-CD2 3.76Å; F398-L413 HydrophobicContact CG-CD2 4.05Å; F398-L413 HydrophobicContact CZ-CD2 3.52Å; F398-L413 HydrophobicContact CZ-CG 4.14Å; L413-G415 PolarHBondContact O-N 3.32Å; L413-L419 HydrophobicContact CB-CD2 3.88Å; L413-L419 HydrophobicContact CB-CG 4.35Å; L413-L419 HydrophobicContact CD1-CD1 4.4Å; L413-L419 HydrophobicContact CD1-CD2 4.08Å; L413-L419 HydrophobicContact CD1-CG 3.94Å; L413-N420 PolarHBondContact N-OD1 3.04Å; L413-N420 PolarHBondContact O-ND2 3.07Å; L413-L423 HydrophobicContact CD1-CB 4.35Å; L413-L423 HydrophobicContact CD1-CD2 3.74Å; L413-L423 HydrophobicContact CG-CD2 3.88Å; L413-A471 HydrophobicContact CD1-CB 4.18Å; L413-A471 HydrophobicContact CD2-CB 4.09Å; L413-L475 HydrophobicContact CD1-CG 4.47Å; L413-L475 HydrophobicContact CD2-CD1 4.23Å
414K98Very high98.3Very high110 Ų11026.8 Ų26.848%0.47815%0.148SC..SBendtrans-63.6122.8168.9-67.8175.8-177.7159.80108.6P396 R397 F398 E399P396-K414 PolarHBondContact O-NZ 3.02Å; R397-K414 PolarHBondContact O-N 3.45Å; F398-K414 VanDerWaalsContact O-CE 3.24Å; F398-K414 WeakPolarHBondContact O-CE 3.33Å; E399-K414 HydrophobicContact CB-CG 4.18Å; E399-K414 HydrophobicContact CG-CG 4.21Å
415G96.1Very high98.3Very high47 Ų4732.5 Ų32.549%0.48517%0.174SC..SBendtrans141.4-153.8-176.200000112.4R412 L413R412-G415 PolarHBondContact NH2-O 3.45Å; L413-G415 PolarHBondContact O-N 3.32Å
416S97.4Very high98.3Very high54 Ų5435 Ų3538%0.37818%0.181SC..  trans-73163.2-175.7710000112.9L419 N420S416-L419 WeakPolarHBondContact OG-CB 3.38Å; S416-L419 PolarHBondContact OG-N 3.43Å; S416-L419 VanDerWaalsContact OG-N 3.12Å; S416-N420 PolarHBondContact O-ND2 3.08Å
417N98.5Very high98.3Very high48 Ų4835 Ų3526%0.25718%0.181SC..Hα-helixtrans-65.6-40.5170-71.9-14000111.3R412 L419 N420 E421 D442 F444R412-N417 PolarHBondContact NH2-OD1 3.12Å; R412-N417 VanDerWaalsContact NH2-OD1 3.14Å; N417-L419 PolarHBondContact O-N 3.37Å; N417-N420 WeakPolarHBondContact O-CA 3.34Å; N417-N420 WeakPolarHBondContact O-CB 3.33Å; N417-N420 PolarHBondContact O-N 2.9Å; N417-E421 WeakPolarHBondContact O-CG 3.27Å; N417-E421 PolarHBondContact O-N 3.16Å; N417-D442 PolarHBondContact ND2-O 3.28Å; N417-F444 HydrophobicContact CB-CB 3.72Å; N417-F444 PolarHBondContact OD1-N 3.41Å
418Q98.1Very high98.2Very high118 Ų11836.4 Ų36.455%0.55119%0.189SC*.Hα-helixtrans-56.4-37.4177.4-169.162.461.100112.9N420 E421 T422Q418-N420 VanDerWaalsContact C-N 3.32Å; Q418-N420 PolarHBondContact O-N 3.22Å; Q418-E421 PolarHBondContact NE2-OE2 3.24Å; Q418-E421 PolarHBondContact O-N 3.29Å; Q418-T422 WeakPolarHBondContact O-CB 3.39Å; Q418-T422 PolarHBondContact O-N 3.3Å; Q418-T422 PolarHBondContact O-OG1 3.31Å
419L97.9Very high98Very high8 Ų840 Ų404%0.04221%0.214CC..Hα-helixtrans-60.8-43.5175.7-179.467.2000111.5L413 S416 N417 T422 L423 V474 L475 E478L413-L419 HydrophobicContact CB-CD2 3.88Å; L413-L419 HydrophobicContact CB-CG 4.35Å; L413-L419 HydrophobicContact CD1-CD1 4.4Å; L413-L419 HydrophobicContact CD1-CD2 4.08Å; L413-L419 HydrophobicContact CD1-CG 3.94Å; S416-L419 WeakPolarHBondContact OG-CB 3.38Å; S416-L419 PolarHBondContact OG-N 3.43Å; S416-L419 VanDerWaalsContact OG-N 3.12Å; N417-L419 PolarHBondContact O-N 3.37Å; L419-T422 PolarHBondContact O-N 3.1Å; L419-L423 PolarHBondContact O-N 3.34Å; L419-V474 HydrophobicContact CD1-CG1 3.4Å; L419-V474 HydrophobicContact CG-CG1 4.46Å; L419-L475 HydrophobicContact CD1-CD2 4.17Å; L419-L475 HydrophobicContact CD2-CD2 3.94Å; L419-E478 WeakPolarHBondContact CD1-OE2 3.14Å
420N98.6Very high97.8Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-75.2-36-179.5-76.5-78.5000112.7R412 L413 S416 N417 Q418 T422 L423 L424 F444 L446R412-N420 WeakPolarHBondContact CA-OD1 3.32Å; R412-N420 VanDerWaalsContact CB-OD1 3.28Å; R412-N420 WeakPolarHBondContact CB-OD1 3.28Å; L413-N420 PolarHBondContact N-OD1 3.04Å; L413-N420 PolarHBondContact O-ND2 3.07Å; S416-N420 PolarHBondContact O-ND2 3.08Å; N417-N420 WeakPolarHBondContact O-CA 3.34Å; N417-N420 WeakPolarHBondContact O-CB 3.33Å; N417-N420 PolarHBondContact O-N 2.9Å; Q418-N420 VanDerWaalsContact C-N 3.32Å; Q418-N420 PolarHBondContact O-N 3.22Å; N420-T422 VanDerWaalsContact C-N 3.32Å; N420-L423 PolarHBondContact O-N 3.3Å; N420-L424 WeakPolarHBondContact O-CB 3.48Å; N420-L424 PolarHBondContact O-N 3.22Å; N420-F444 HydrophobicContact CB-CD1 3.72Å; N420-F444 HydrophobicContact CB-CE1 4.29Å; N420-L446 HydrophobicContact CB-CD1 3.88Å
421E98.6Very high97.6Very high70 Ų7044.5 Ų44.533%0.32724%0.242SC..Hα-helixtrans-58.8-46.2169.7-72.4170-155.500110.9N417 Q418 L423 L424 Q425 F444N417-E421 WeakPolarHBondContact O-CG 3.27Å; N417-E421 PolarHBondContact O-N 3.16Å; Q418-E421 PolarHBondContact NE2-OE2 3.24Å; Q418-E421 PolarHBondContact O-N 3.29Å; E421-L423 PolarHBondContact O-N 3.02Å; E421-L424 PolarHBondContact O-N 3.07Å; E421-Q425 WeakPolarHBondContact O-CB 3.3Å; E421-Q425 PolarHBondContact O-N 3.07Å; E421-F444 HydrophobicContact CB-CE1 4.47Å; E421-F444 HydrophobicContact CB-CZ 4.36Å; E421-F444 HydrophobicContact CG-CD1 4.08Å; E421-F444 HydrophobicContact CG-CD2 3.75Å; E421-F444 HydrophobicContact CG-CE1 3.91Å; E421-F444 HydrophobicContact CG-CE2 3.57Å; E421-F444 HydrophobicContact CG-CG 3.99Å; E421-F444 HydrophobicContact CG-CZ 3.62Å
422T98.4Very high97.4Very high37 Ų3750.6 Ų50.623%0.22727%0.268CS..Hα-helixtrans-62.4-43.5177.2-550000111.5Q418 L419 N420 Q425 R426 V474Q418-T422 WeakPolarHBondContact O-CB 3.39Å; Q418-T422 PolarHBondContact O-N 3.3Å; Q418-T422 PolarHBondContact O-OG1 3.31Å; L419-T422 PolarHBondContact O-N 3.1Å; N420-T422 VanDerWaalsContact C-N 3.32Å; T422-Q425 PolarHBondContact O-N 3.19Å; T422-R426 WeakPolarHBondContact O-CG 3.4Å; T422-R426 PolarHBondContact O-N 3.39Å; T422-V474 HydrophobicContact CG2-CG1 4.1Å; T422-V474 HydrophobicContact CG2-CG2 4.24Å
423L98.6Very high97.4Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-59.7-49.6175.3175.660.6000111.2F398 L413 L419 N420 E421 Q425 R426 I427 L446 L470 A471F398-L423 HydrophobicContact CE1-CD2 4Å; F398-L423 HydrophobicContact CZ-CD2 4.47Å; L413-L423 HydrophobicContact CD1-CB 4.35Å; L413-L423 HydrophobicContact CD1-CD2 3.74Å; L413-L423 HydrophobicContact CG-CD2 3.88Å; L419-L423 PolarHBondContact O-N 3.34Å; N420-L423 PolarHBondContact O-N 3.3Å; E421-L423 PolarHBondContact O-N 3.02Å; L423-Q425 VanDerWaalsContact C-N 3.33Å; L423-Q425 PolarHBondContact O-N 3.25Å; L423-R426 PolarHBondContact O-N 3.28Å; L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.19Å; L423-I427 HydrophobicContact CD2-CD1 4.46Å; L423-I427 HydrophobicContact CG-CD1 3.78Å; L423-I427 HydrophobicContact CG-CG1 4.49Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 3.03Å; L423-L446 HydrophobicContact CD2-CD2 4.06Å; L423-L446 HydrophobicContact CG-CD2 4.2Å; L423-L470 HydrophobicContact CD1-CB 3.97Å; L423-A471 HydrophobicContact CD1-CB 4.11Å; L423-A471 HydrophobicContact CD2-CB 4.44Å
424L98.6Very high97.4Very high14 Ų1450.6 Ų50.67%0.07327%0.269CS..Hα-helixtrans-59.9-44.3178.8178.569.3000111.6N420 E421 R426 I427 N428 L435 P437 F444 L446N420-L424 WeakPolarHBondContact O-CB 3.48Å; N420-L424 PolarHBondContact O-N 3.22Å; E421-L424 PolarHBondContact O-N 3.07Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.04Å; L424-I427 PolarHBondContact O-N 2.97Å; L424-N428 PolarHBondContact O-N 3.17Å; L424-L435 HydrophobicContact CD1-CB 3.67Å; L424-P437 HydrophobicContact CD2-CB 3.77Å; L424-P437 HydrophobicContact CD2-CG 3.55Å; L424-F444 HydrophobicContact CB-CE1 4.46Å; L424-F444 HydrophobicContact CD2-CE1 4.23Å; L424-F444 HydrophobicContact CD2-CZ 3.82Å; L424-L446 HydrophobicContact CB-CD2 4.36Å; L424-L446 HydrophobicContact CB-CG 4.33Å; L424-L446 HydrophobicContact CD1-CD2 4.44Å; L424-L446 HydrophobicContact CD1-CG 4.35Å
425Q98Very high97.4Very high127 Ų12745.3 Ų45.359%0.59325%0.246SC*.Hα-helixtrans-57.2-48.4177.1-174.2-1778.300110.4E421 T422 L423 I427 N428 S429E421-Q425 WeakPolarHBondContact O-CB 3.3Å; E421-Q425 PolarHBondContact O-N 3.07Å; T422-Q425 PolarHBondContact O-N 3.19Å; L423-Q425 VanDerWaalsContact C-N 3.33Å; L423-Q425 PolarHBondContact O-N 3.25Å; Q425-I427 VanDerWaalsContact C-N 3.35Å; Q425-I427 PolarHBondContact O-N 3.15Å; Q425-N428 PolarHBondContact O-N 3.03Å; Q425-S429 VanDerWaalsContact O-CB 3.28Å; Q425-S429 WeakPolarHBondContact O-CB 3.46Å; Q425-S429 PolarHBondContact O-N 3.08Å; Q425-S429 PolarHBondContact O-OG 3.44Å
426R97.8Very high97.5Very high83 Ų8343.9 Ų43.931%0.31323%0.228SC..Hα-helixtrans-63.3-38.8178.4-70.1-167-171.5-161.62.6113T422 L423 L424 A430 L470 S473 V474T422-R426 WeakPolarHBondContact O-CG 3.4Å; T422-R426 PolarHBondContact O-N 3.39Å; L423-R426 PolarHBondContact O-N 3.28Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.04Å; R426-A430 WeakPolarHBondContact O-CB 3.46Å; R426-A430 PolarHBondContact O-N 3.12Å; R426-L470 HydrophobicContact CB-CD1 4.49Å; R426-L470 HydrophobicContact CB-CD2 4.24Å; R426-S473 PolarHBondContact NH1-OG 2.85Å; R426-V474 HydrophobicContact CG-CG2 4.46Å
427I97.9Very high97.5Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-60-53.4175.8-70.8164.6000110.3L423 L424 Q425 A430 K431 I433 L435 L446 I467 L470L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.19Å; L423-I427 HydrophobicContact CD2-CD1 4.46Å; L423-I427 HydrophobicContact CG-CD1 3.78Å; L423-I427 HydrophobicContact CG-CG1 4.49Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 3.03Å; L424-I427 PolarHBondContact O-N 2.97Å; Q425-I427 VanDerWaalsContact C-N 3.35Å; Q425-I427 PolarHBondContact O-N 3.15Å; I427-A430 PolarHBondContact O-N 2.84Å; I427-K431 PolarHBondContact O-N 3.04Å; I427-I433 HydrophobicContact CG2-CD1 3.73Å; I427-I433 HydrophobicContact CG2-CG1 3.41Å; I427-I433 VanDerWaalsContact CG2-CG1 3.41Å; I427-L435 HydrophobicContact CD1-CD1 3.96Å; I427-L435 HydrophobicContact CG2-CD1 4.04Å; I427-L435 HydrophobicContact CG2-CG 4.21Å; I427-L446 HydrophobicContact CD1-CD2 3.87Å; I427-I467 HydrophobicContact CD1-CG1 3.94Å; I427-I467 HydrophobicContact CD1-CG2 4.41Å; I427-I467 HydrophobicContact CG1-CG1 4.48Å; I427-L470 HydrophobicContact CB-CD1 4.23Å; I427-L470 HydrophobicContact CG1-CD1 3.62Å
428N96.9Very high97.5Very high30 Ų3042.2 Ų42.216%0.1622%0.218CC..Hα-helixtrans-70.5-34.9-176.9-76.6-27.3000112.4L424 Q425 A430 K431 H434 L435L424-N428 PolarHBondContact O-N 3.17Å; Q425-N428 PolarHBondContact O-N 3.03Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 3.45Å; N428-K431 WeakPolarHBondContact O-CG 3.37Å; N428-K431 PolarHBondContact O-N 2.91Å; N428-K431 VanDerWaalsContact O-N 3.12Å; N428-H434 PolarHBondContact OD1-ND1 2.91Å; N428-L435 PolarHBondContact ND2-O 2.92Å; N428-L435 PolarHBondContact OD1-N 3.38Å; N428-L435 PolarHBondContact OD1-O 3.22Å
429S95.3Very high97.4Very high80 Ų8041.7 Ų41.756%0.55922%0.216SC*.Hα-helixtrans-66.4-29.7174.1-65.50000113Q425 K431Q425-S429 VanDerWaalsContact O-CB 3.28Å; Q425-S429 WeakPolarHBondContact O-CB 3.46Å; Q425-S429 PolarHBondContact O-N 3.08Å; Q425-S429 PolarHBondContact O-OG 3.44Å; S429-K431 PolarHBondContact O-N 2.92Å
430A95.3Very high97.3Very high43 Ų4341.6 Ų41.636%0.35522%0.215SC..Hα-helixtrans-72.9-17.5173.900000112.9R426 I427 N428 K432R426-A430 WeakPolarHBondContact O-CB 3.46Å; R426-A430 PolarHBondContact O-N 3.12Å; I427-A430 PolarHBondContact O-N 2.84Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 3.45Å; A430-K432 PolarHBondContact O-N 3.35Å
431K93.9Very high97Very high51 Ų5148.4 Ų48.422%0.22224%0.241CC..THydrogen-bonded Turntrans57.210.6174-59.9167.9-179.6138.30115.6D32 I427 N428 S429D32-K431 HydrophobicContact CB-CD 4.26Å; D32-K431 VanDerWaalsContact CB-NZ 3.33Å; D32-K431 IonicContact OD1-NZ 3.77Å; D32-K431 PolarHBondContact OD1-NZ 2.95Å; D32-K431 IonicContact OD2-NZ 3.55Å; D32-K431 PolarHBondContact OD2-NZ 3.23Å; I427-K431 PolarHBondContact O-N 3.04Å; N428-K431 WeakPolarHBondContact O-CG 3.37Å; N428-K431 PolarHBondContact O-N 2.91Å; N428-K431 VanDerWaalsContact O-N 3.12Å; S429-K431 PolarHBondContact O-N 2.92Å
432K95Very high96.8Very high129 Ų12951 Ų5156%0.56126%0.257SS*.SBendtrans-75.4-38.1176.3-67-165.3-179.7-176.70112Y75 A430Y75-K432 VanDerWaalsContact CB-O 3.23Å; Y75-K432 WeakPolarHBondContact CB-O 3.38Å; A430-K432 PolarHBondContact O-N 3.35Å
433I98Very high96.7Very high3 Ų353.6 Ų53.62%0.01527%0.265CS..SBendtrans-133.7160.2172.969.4177.3000108.7Y75 F77 I427 L435 A463 I467Y75-I433 HydrophobicContact CD1-CG2 4.13Å; Y75-I433 HydrophobicContact CG-CG2 4.49Å; Y75-I433 WeakPolarHBondContact O-CA 3.48Å; F77-I433 HydrophobicContact CD2-CB 4.23Å; F77-I433 HydrophobicContact CD2-CG2 4.44Å; F77-I433 HydrophobicContact CE2-CB 4.48Å; F77-I433 HydrophobicContact CE2-CG2 4.2Å; I427-I433 HydrophobicContact CG2-CD1 3.73Å; I427-I433 HydrophobicContact CG2-CG1 3.41Å; I427-I433 VanDerWaalsContact CG2-CG1 3.41Å; I433-L435 HydrophobicContact CD1-CD1 4.23Å; I433-L435 HydrophobicContact CD1-CG 4.28Å; I433-A463 HydrophobicContact CD1-CB 4.31Å; I433-A463 HydrophobicContact CG2-CB 3.9Å; I433-I467 HydrophobicContact CD1-CD1 3.83Å; I433-I467 HydrophobicContact CD1-CG1 3.72Å
434H98.3Very high96.7Very high10 Ų1054.4 Ų54.45%0.04627%0.268CS..BIsolated β-bridgetrans-121126174.1-173.242000111.4V29 Y30 Y75 F76 F77 A78 N428V29-H434 HydrophobicContact CG1-CB 4Å; V29-H434 HydrophobicContact CG2-CB 4.14Å; Y30-H434 AromaticContact CD2-CE1 3.72Å; Y30-H434 AromaticContact CD2-ND1 3.9Å; Y30-H434 AromaticContact CD2-NE2 3.85Å; Y30-H434 AromaticContact CE2-CE1 3.88Å; Y75-H434 PolarHBondContact O-N 3.34Å; Y75-H434 VanDerWaalsContact O-N 3.08Å; F76-H434 AromaticContact CE2-CD2 3.81Å; F77-H434 CarbonylContact C-O 3.6Å; F77-H434 VanDerWaalsContact C-O 3.29Å; F77-H434 WeakPolarHBondContact CA-O 3.43Å; F77-H434 PolarHBondContact N-O 3.09Å; A78-H434 WeakPolarHBondContact CB-CD2 3.5Å; A78-H434 PolarHBondContact N-O 3.11Å; A78-H434 VanDerWaalsContact N-O 3.13Å; N428-H434 PolarHBondContact OD1-ND1 2.91Å
435L98.4Very high96.7Very high0 Ų053.7 Ų53.70%027%0.265CS..  trans-126.9158175.7-56.7178.4000110.3F77 F411 L424 I427 N428 I433 L446 R447 F448 I467F77-L435 HydrophobicContact CB-CD2 3.53Å; F77-L435 HydrophobicContact CG-CD2 4.49Å; F411-L435 HydrophobicContact CZ-CD1 4.38Å; L424-L435 HydrophobicContact CD1-CB 3.67Å; I427-L435 HydrophobicContact CD1-CD1 3.96Å; I427-L435 HydrophobicContact CG2-CD1 4.04Å; I427-L435 HydrophobicContact CG2-CG 4.21Å; N428-L435 PolarHBondContact ND2-O 2.92Å; N428-L435 PolarHBondContact OD1-N 3.38Å; N428-L435 PolarHBondContact OD1-O 3.22Å; I433-L435 HydrophobicContact CD1-CD1 4.23Å; I433-L435 HydrophobicContact CD1-CG 4.28Å; L435-L446 HydrophobicContact CD1-CD2 4.26Å; L435-R447 WeakPolarHBondContact CD2-O 3.43Å; L435-F448 HydrophobicContact CD2-CD2 3.91Å; L435-I467 HydrophobicContact CD1-CD1 4.29Å
436V97.4Very high96.7Very high17 Ų1747.7 Ų47.710%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-129.3150.7169.8-65.80000109.8A78 Y79 R447A78-V436 HydrophobicContact CB-CG1 3.84Å; A78-V436 HydrophobicContact CB-CG2 4.25Å; Y79-V436 HydrophobicContact CD1-CG1 4.49Å; Y79-V436 HydrophobicContact CD1-CG2 4.23Å; Y79-V436 HydrophobicContact CD2-CG1 4.48Å; Y79-V436 HydrophobicContact CE1-CG1 4.03Å; Y79-V436 HydrophobicContact CE1-CG2 4.49Å; Y79-V436 HydrophobicContact CE2-CG1 4.03Å; Y79-V436 HydrophobicContact CG-CG2 4.42Å; Y79-V436 VanDerWaalsContact N-CG2 3.3Å; V436-R447 WeakPolarHBondContact O-CB 3.43Å; V436-R447 PolarHBondContact O-N 3.34Å
437P98.2Very high96.8Very high53 Ų5344 Ų4434%0.34422%0.223SC..EExtended strand (participates in β ladder)trans-88.2171.7179.433.6-25.6000111.9L424 F444 V445L424-P437 HydrophobicContact CD2-CB 3.77Å; L424-P437 HydrophobicContact CD2-CG 3.55Å; P437-F444 HydrophobicContact CB-CD1 4.43Å; P437-F444 HydrophobicContact CB-CD2 4.34Å; P437-F444 HydrophobicContact CB-CE1 3.68Å; P437-F444 HydrophobicContact CB-CE2 3.56Å; P437-F444 HydrophobicContact CB-CZ 3.19Å; P437-F444 HydrophobicContact CG-CE2 3.82Å; P437-F444 HydrophobicContact CG-CZ 3.6Å; P437-V445 CarbonylContact C-O 3.59Å; P437-V445 WeakPolarHBondContact CA-O 3.29Å; P437-V445 WeakPolarHBondContact CB-O 3.37Å
438C97.7Very high96.8Very high13 Ų1344 Ų449%0.08822%0.223CC..EExtended strand (participates in β ladder)trans-138.6172.4154.462.10000110.2S247 V445 R447S247-C438 PolarHBondContact O-SG 2.78Å; C438-V445 PolarHBondContact N-O 2.83Å; C438-V445 PolarHBondContact O-N 2.97Å; C438-R447 HydrophobicContact CB-CG 4.41Å
439H96.6Very high96.9Very high107 Ų10742.6 Ų42.650%0.49522%0.215SC..EExtended strand (participates in β ladder)trans-105.5129.2165.6-73.784.6000109.2K443 F444H439-K443 WeakPolarHBondContact CA-O 3.38Å; H439-F444 AromaticContact CE1-CD2 3.75Å; H439-F444 AromaticContact NE2-CD2 3.73Å
440L95.6Very high97Very high6 Ų638.8 Ų38.83%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-10995.6168-62.2-172.8000107.2F215 C248 C401 T402 D442 K443 V445F215-L440 HydrophobicContact CE1-CB 3.93Å; F215-L440 HydrophobicContact CE1-CD2 4.34Å; F215-L440 HydrophobicContact CE2-CD1 4.23Å; F215-L440 HydrophobicContact CZ-CB 3.71Å; F215-L440 HydrophobicContact CZ-CD1 4.23Å; F215-L440 HydrophobicContact CZ-CD2 4.44Å; F215-L440 HydrophobicContact CZ-CG 4.35Å; C248-L440 HydrophobicContact CB-CD1 4.12Å; C248-L440 HydrophobicContact CB-CD2 3.77Å; C401-L440 HydrophobicContact CB-CD1 3.94Å; T402-L440 HydrophobicContact CG2-CD1 3.59Å; L440-D442 PolarHBondContact O-N 3.41Å; L440-K443 PolarHBondContact N-O 3.35Å; L440-K443 PolarHBondContact O-N 3.29Å; L440-K443 VanDerWaalsContact O-N 3.09Å; L440-V445 HydrophobicContact CB-CG2 4.23Å; L440-V445 HydrophobicContact CD1-CG1 4.48Å; L440-V445 HydrophobicContact CD1-CG2 4.01Å; L440-V445 HydrophobicContact CG-CB 4.5Å; L440-V445 HydrophobicContact CG-CG2 3.98Å
441R92.1Very high97.1Very high144 Ų14436.9 Ų36.954%0.54317%0.173SC..THydrogen-bonded Turntrans54.2-115.2-164-62.3169.2-177.1160.81.6110.2D212 F215D212-R441 PolarHBondContact O-NH2 3.26Å; F215-R441 HydrophobicContact CE1-CG 4.16Å
442D94Very high97.3Very high124 Ų12434.7 Ų34.766%0.66316%0.164SC*.THydrogen-bonded Turntrans-90-1.4-177.963.3-42.2000113.7N417 L440N417-D442 PolarHBondContact ND2-O 3.28Å; L440-D442 PolarHBondContact O-N 3.41Å
443K97.1Very high97.3Very high92 Ų9232.4 Ų32.440%0.415%0.152SC..EExtended strand (participates in β ladder)trans-99.3127.5-177-63.1-176.1179.8-176.50112.1H439 L440 V445H439-K443 WeakPolarHBondContact CA-O 3.38Å; L440-K443 PolarHBondContact N-O 3.35Å; L440-K443 PolarHBondContact O-N 3.29Å; L440-K443 VanDerWaalsContact O-N 3.09Å; K443-V445 HydrophobicContact CB-CG2 4.3Å
444F98.6Very high97.2Very high16 Ų1634.7 Ų34.77%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-79127.1167.8-172.4-82.6000109.9R412 N417 N420 E421 L424 P437 H439 L446R412-F444 PolarHBondContact NE-O 3.06Å; N417-F444 HydrophobicContact CB-CB 3.72Å; N417-F444 PolarHBondContact OD1-N 3.41Å; N420-F444 HydrophobicContact CB-CD1 3.72Å; N420-F444 HydrophobicContact CB-CE1 4.29Å; E421-F444 HydrophobicContact CB-CE1 4.47Å; E421-F444 HydrophobicContact CB-CZ 4.36Å; E421-F444 HydrophobicContact CG-CD1 4.08Å; E421-F444 HydrophobicContact CG-CD2 3.75Å; E421-F444 HydrophobicContact CG-CE1 3.91Å; E421-F444 HydrophobicContact CG-CE2 3.57Å; E421-F444 HydrophobicContact CG-CG 3.99Å; E421-F444 HydrophobicContact CG-CZ 3.62Å; L424-F444 HydrophobicContact CB-CE1 4.46Å; L424-F444 HydrophobicContact CD2-CE1 4.23Å; L424-F444 HydrophobicContact CD2-CZ 3.82Å; P437-F444 HydrophobicContact CB-CD1 4.43Å; P437-F444 HydrophobicContact CB-CD2 4.34Å; P437-F444 HydrophobicContact CB-CE1 3.68Å; P437-F444 HydrophobicContact CB-CE2 3.56Å; P437-F444 HydrophobicContact CB-CZ 3.19Å; P437-F444 HydrophobicContact CG-CE2 3.82Å; P437-F444 HydrophobicContact CG-CZ 3.6Å; H439-F444 AromaticContact CE1-CD2 3.75Å; H439-F444 AromaticContact NE2-CD2 3.73Å; F444-L446 HydrophobicContact CD1-CD1 4.38Å; F444-L446 HydrophobicContact CE1-CD1 4.15Å
445V98.4Very high97.2Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-132.8138.7-170.2-179.20000110.4C401 C410 P437 C438 L440 K443C401-V445 HydrophobicContact CB-CG1 4.06Å; C401-V445 HydrophobicContact CB-CG2 4.22Å; C410-V445 HydrophobicContact CB-CG1 3.75Å; P437-V445 CarbonylContact C-O 3.59Å; P437-V445 WeakPolarHBondContact CA-O 3.29Å; P437-V445 WeakPolarHBondContact CB-O 3.37Å; C438-V445 PolarHBondContact N-O 2.83Å; C438-V445 PolarHBondContact O-N 2.97Å; L440-V445 HydrophobicContact CB-CG2 4.23Å; L440-V445 HydrophobicContact CD1-CG1 4.48Å; L440-V445 HydrophobicContact CD1-CG2 4.01Å; L440-V445 HydrophobicContact CG-CB 4.5Å; L440-V445 HydrophobicContact CG-CG2 3.98Å; K443-V445 HydrophobicContact CB-CG2 4.3Å
446L98.8Very high97.2Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-87.3139.6172.1-74.369.8000109.4C410 F411 N420 L423 L424 I427 L435 F444C410-L446 WeakPolarHBondContact CA-O 3.31Å; F411-L446 HydrophobicContact CD1-CB 4.17Å; F411-L446 WeakPolarHBondContact CD1-O 3.07Å; F411-L446 HydrophobicContact CE1-CB 3.7Å; F411-L446 HydrophobicContact CE2-CB 4.39Å; F411-L446 HydrophobicContact CE2-CD2 4.34Å; F411-L446 HydrophobicContact CZ-CB 3.82Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 3.24Å; F411-L446 PolarHBondContact O-N 2.83Å; N420-L446 HydrophobicContact CB-CD1 3.88Å; L423-L446 HydrophobicContact CD2-CD2 4.06Å; L423-L446 HydrophobicContact CG-CD2 4.2Å; L424-L446 HydrophobicContact CB-CD2 4.36Å; L424-L446 HydrophobicContact CB-CG 4.33Å; L424-L446 HydrophobicContact CD1-CD2 4.44Å; L424-L446 HydrophobicContact CD1-CG 4.35Å; I427-L446 HydrophobicContact CD1-CD2 3.87Å; L435-L446 HydrophobicContact CD1-CD2 4.26Å; F444-L446 HydrophobicContact CD1-CD1 4.38Å; F444-L446 HydrophobicContact CE1-CD1 4.15Å
447R98.8Very high97.3Very high7 Ų739.9 Ų39.93%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-110.2128.6178.6-64.5170.771.9-98.51.6110.1Y79 T246 S247 L408 L435 V436 C438Y79-R447 PolarHBondContact O-NH1 3.18Å; Y79-R447 PolarHBondContact O-NH2 2.75Å; T246-R447 VanDerWaalsContact O-CZ 3.31Å; T246-R447 PolarHBondContact O-NE 2.84Å; T246-R447 PolarHBondContact O-NH2 3.15Å; S247-R447 WeakPolarHBondContact O-CD 3.38Å; S247-R447 PolarHBondContact O-NE 3.2Å; L408-R447 HydrophobicContact CD1-CB 3.9Å; L408-R447 HydrophobicContact CD1-CG 4.39Å; L435-R447 WeakPolarHBondContact CD2-O 3.43Å; V436-R447 WeakPolarHBondContact O-CB 3.43Å; V436-R447 PolarHBondContact O-N 3.34Å; C438-R447 HydrophobicContact CB-CG 4.41Å
448F98.8Very high97.3Very high0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-115.1100.5172.3-171.8-85.4000109.1F77 F388 V409 F411 L435 V450 V460 A463F77-F448 HydrophobicContact CB-CD2 3.96Å; F77-F448 HydrophobicContact CB-CE2 4.09Å; F77-F448 HydrophobicContact CB-CG 4.33Å; F77-F448 HydrophobicContact CD1-CD1 4.17Å; F77-F448 HydrophobicContact CD1-CD2 4.21Å; F77-F448 AromaticContact CD1-CE1 3.6Å; F77-F448 HydrophobicContact CD1-CE1 3.6Å; F77-F448 AromaticContact CD1-CE2 3.66Å; F77-F448 HydrophobicContact CD1-CE2 3.66Å; F77-F448 HydrophobicContact CD1-CG 4.45Å; F77-F448 AromaticContact CD1-CZ 3.32Å; F77-F448 HydrophobicContact CD1-CZ 3.32Å; F77-F448 HydrophobicContact CD2-CD2 4.18Å; F77-F448 AromaticContact CD2-CE2 3.5Å; F77-F448 HydrophobicContact CD2-CE2 3.5Å; F77-F448 AromaticContact CD2-CZ 3.92Å; F77-F448 HydrophobicContact CD2-CZ 3.92Å; F77-F448 AromaticContact CE1-CE1 3.69Å; F77-F448 HydrophobicContact CE1-CE1 3.69Å; F77-F448 AromaticContact CE1-CE2 3.87Å; F77-F448 HydrophobicContact CE1-CE2 3.87Å; F77-F448 AromaticContact CE1-CZ 3.21Å; F77-F448 HydrophobicContact CE1-CZ 3.21Å; F77-F448 AromaticContact CE2-CE2 3.71Å; F77-F448 HydrophobicContact CE2-CE2 3.71Å; F77-F448 AromaticContact CE2-CZ 3.81Å; F77-F448 HydrophobicContact CE2-CZ 3.81Å; F77-F448 AromaticContact CG-CD2 3.87Å; F77-F448 HydrophobicContact CG-CD2 3.87Å; F77-F448 HydrophobicContact CG-CE1 4.25Å; F77-F448 AromaticContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CE2 3.47Å; F77-F448 VanDerWaalsContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CG 4.42Å; F77-F448 AromaticContact CG-CZ 3.69Å; F77-F448 HydrophobicContact CG-CZ 3.69Å; F77-F448 HydrophobicContact CZ-CE1 4.37Å; F77-F448 AromaticContact CZ-CE2 3.88Å; F77-F448 HydrophobicContact CZ-CE2 3.88Å; F77-F448 AromaticContact CZ-CZ 3.46Å; F77-F448 HydrophobicContact CZ-CZ 3.46Å; F77-F448 VanDerWaalsContact CZ-CZ 3.46Å; F388-F448 HydrophobicContact CB-CD1 4.25Å; F388-F448 HydrophobicContact CB-CE1 4.1Å; F388-F448 HydrophobicContact CD1-CB 4.01Å; F388-F448 AromaticContact CD1-CD1 3.72Å; F388-F448 HydrophobicContact CD1-CD1 3.72Å; F388-F448 HydrophobicContact CD1-CD2 4.48Å; F388-F448 HydrophobicContact CD1-CE1 4.29Å; F388-F448 AromaticContact CD1-CG 3.83Å; F388-F448 HydrophobicContact CD1-CG 3.83Å; F388-F448 HydrophobicContact CD2-CD1 4.08Å; F388-F448 HydrophobicContact CD2-CD2 4.17Å; F388-F448 AromaticContact CD2-CE1 3.89Å; F388-F448 HydrophobicContact CD2-CE1 3.89Å; F388-F448 AromaticContact CD2-CE2 3.98Å; F388-F448 HydrophobicContact CD2-CE2 3.98Å; F388-F448 HydrophobicContact CD2-CG 4.21Å; F388-F448 AromaticContact CD2-CZ 3.83Å; F388-F448 HydrophobicContact CD2-CZ 3.83Å; F388-F448 HydrophobicContact CE1-CB 3.55Å; F388-F448 HydrophobicContact CE1-CD1 4.04Å; F388-F448 HydrophobicContact CE1-CD2 4.05Å; F388-F448 AromaticContact CE1-CG 3.62Å; F388-F448 HydrophobicContact CE1-CG 3.62Å; F388-F448 HydrophobicContact CE2-CD1 4.37Å; F388-F448 AromaticContact CE2-CD2 3.71Å; F388-F448 HydrophobicContact CE2-CD2 3.71Å; F388-F448 HydrophobicContact CE2-CE1 4.41Å; F388-F448 AromaticContact CE2-CE2 3.75Å; F388-F448 HydrophobicContact CE2-CE2 3.75Å; F388-F448 HydrophobicContact CE2-CG 4.03Å; F388-F448 HydrophobicContact CE2-CZ 4.1Å; F388-F448 AromaticContact CG-CD1 3.74Å; F388-F448 HydrophobicContact CG-CD1 3.74Å; F388-F448 AromaticContact CG-CE1 3.82Å; F388-F448 HydrophobicContact CG-CE1 3.82Å; F388-F448 HydrophobicContact CG-CG 4.11Å; F388-F448 HydrophobicContact CG-CZ 4.25Å; F388-F448 HydrophobicContact CZ-CB 3.96Å; F388-F448 HydrophobicContact CZ-CD1 4.35Å; F388-F448 AromaticContact CZ-CD2 3.65Å; F388-F448 HydrophobicContact CZ-CD2 3.65Å; F388-F448 HydrophobicContact CZ-CE2 4.19Å; F388-F448 AromaticContact CZ-CG 3.73Å; F388-F448 HydrophobicContact CZ-CG 3.73Å; V409-F448 HydrophobicContact CB-CB 4.44Å; V409-F448 PolarHBondContact N-O 2.79Å; V409-F448 PolarHBondContact O-N 3.09Å; F411-F448 HydrophobicContact CD1-CB 4.48Å; F411-F448 HydrophobicContact CE1-CB 4.04Å; L435-F448 HydrophobicContact CD2-CD2 3.91Å; F448-V450 HydrophobicContact CE1-CG2 4.18Å; F448-V460 HydrophobicContact CZ-CG1 4.47Å; F448-A463 HydrophobicContact CE2-CB 3.91Å; F448-A463 HydrophobicContact CZ-CB 4.29Å
449A98.6Very high97.3Very high0 Ų040.3 Ų40.30%020%0.199CC..EExtended strand (participates in β ladder)trans-102.4123.7179.600000111F77 Y79 G407 L408 C451F77-A449 VanDerWaalsContact CA-O 3.25Å; F77-A449 WeakPolarHBondContact CA-O 3.46Å; F77-A449 WeakPolarHBondContact CD1-O 3.12Å; F77-A449 PolarHBondContact O-N 2.59Å; Y79-A449 WeakPolarHBondContact O-CB 3.49Å; G407-A449 CarbonylContact O-C 3.31Å; G407-A449 WeakPolarHBondContact O-CA 3.42Å; L408-A449 HydrophobicContact CD1-CB 4.05Å; A449-C451 PolarHBondContact O-N 2.84Å; A449-C451 VanDerWaalsContact O-N 3.13Å; A449-C451 PolarHBondContact O-SG 2.92Å
450V98.6Very high97.4Very high0 Ų035.2 Ų35.20%018%0.176CC..  trans-75.1103.8178-1760000109.9H381 L384 G407 F448 V455H381-V450 HydrophobicContact CB-CB 4.36Å; H381-V450 HydrophobicContact CB-CG1 4Å; H381-V450 PolarHBondContact ND1-O 3.36Å; L384-V450 HydrophobicContact CB-CG1 4.19Å; L384-V450 HydrophobicContact CB-CG2 4.27Å; L384-V450 HydrophobicContact CD1-CG1 4.23Å; G407-V450 PolarHBondContact O-N 3.37Å; F448-V450 HydrophobicContact CE1-CG2 4.18Å; V450-V455 HydrophobicContact CG1-CG1 3.48Å; V450-V455 VanDerWaalsContact CG1-CG1 3.48Å; V450-V455 HydrophobicContact CG1-CG2 4.42Å
451C97.3Very high97.6Very high3 Ų338.9 Ų38.92%0.0219%0.193CC..  trans-106-53.9-167.3-67.30000116.6F76 P81 H381 A449F76-C451 HydrophobicContact CD1-CB 3.9Å; F76-C451 WeakPolarHBondContact O-CB 3.33Å; P81-C451 HydrophobicContact CB-CB 3.83Å; P81-C451 HydrophobicContact CG-CB 4.09Å; H381-C451 PolarHBondContact CE1-O 3.34Å; A449-C451 PolarHBondContact O-N 2.84Å; A449-C451 VanDerWaalsContact O-N 3.13Å; A449-C451 PolarHBondContact O-SG 2.92Å
452S96.4Very high97.9Very high4 Ų436.1 Ų36.13%0.02819%0.188CC..  trans-70147-169.8178.90000112.9H72 S73 H381 T454 V455H72-S452 WeakPolarHBondContact O-CB 3.36Å; H72-S452 PolarHBondContact O-OG 2.9Å; S73-S452 WeakPolarHBondContact O-CB 3.38Å; H381-S452 PolarHBondContact CE1-O 3.3Å; H381-S452 VanDerWaalsContact CE1-O 3.26Å; H381-S452 PolarHBondContact NE2-O 3.31Å; S452-T454 PolarHBondContact O-N 3.45Å; S452-T454 PolarHBondContact OG-N 3.2Å; S452-T454 VanDerWaalsContact OG-N 3.13Å; S452-T454 PolarHBondContact OG-OG1 3.01Å; S452-T454 VanDerWaalsContact OG-OG1 3.05Å; S452-V455 WeakPolarHBondContact O-CG1 3Å; S452-V455 PolarHBondContact O-N 3.41Å
453R95.4Very high98.1Very high82 Ų8230.2 Ų30.231%0.30916%0.157SC..THydrogen-bonded Turntrans-63.3-27.3170.9-177.3-178.36074.2-1.4113.2L306 Y377L306-R453 HydrophobicContact CD2-CB 4.3Å; L306-R453 HydrophobicContact CD2-CG 4.04Å; Y377-R453 HydrophobicContact CE2-CB 4.25Å; Y377-R453 HydrophobicContact CE2-CG 4.19Å
454T96.1Very high98.2Very high51 Ų5126.3 Ų26.331%0.31314%0.139SC..THydrogen-bonded Turntrans-99.55.8-177.355.90000112.9S452 H459S452-T454 PolarHBondContact O-N 3.45Å; S452-T454 PolarHBondContact OG-N 3.2Å; S452-T454 VanDerWaalsContact OG-N 3.13Å; S452-T454 PolarHBondContact OG-OG1 3.01Å; S452-T454 VanDerWaalsContact OG-OG1 3.05Å; T454-H459 PolarHBondContact O-CE1 3.04Å
455V98.1Very high98.2Very high0 Ų029.4 Ų29.40%015%0.154CC..  trans-62.7142.3174.471.10000110.3P74 F77 K380 L384 V450 S452 H459 V460P74-V455 HydrophobicContact CB-CB 4.39Å; F77-V455 HydrophobicContact CE1-CG2 4.1Å; F77-V455 HydrophobicContact CZ-CG2 4.41Å; K380-V455 WeakPolarHBondContact CE-O 3.5Å; K380-V455 PolarHBondContact NZ-O 3.36Å; L384-V455 HydrophobicContact CD1-CG1 3.72Å; L384-V455 HydrophobicContact CD1-CG2 4.44Å; V450-V455 HydrophobicContact CG1-CG1 3.48Å; V450-V455 VanDerWaalsContact CG1-CG1 3.48Å; V450-V455 HydrophobicContact CG1-CG2 4.42Å; S452-V455 WeakPolarHBondContact O-CG1 3Å; S452-V455 PolarHBondContact O-N 3.41Å; V455-H459 HydrophobicContact CG2-CB 4.11Å; V455-V460 HydrophobicContact CG2-CG2 4.42Å
456E98.6Very high98.2Very high93 Ų9330.2 Ų30.244%0.43516%0.158SC..  trans-141.8166.8-175.6-62.7-61.7164.800108.1K380 A458 H459 V460K380-E456 WeakPolarHBondContact CE-OE2 3.18Å; K380-E456 IonicContact NZ-OE1 2.84Å; K380-E456 PolarHBondContact NZ-OE1 3.16Å; K380-E456 IonicContact NZ-OE2 2.81Å; K380-E456 PolarHBondContact NZ-OE2 3.15Å; E456-A458 VanDerWaalsContact C-N 3.26Å; E456-A458 PolarHBondContact O-N 3.16Å; E456-H459 WeakPolarHBondContact CB-ND1 3.45Å; E456-H459 PolarHBondContact N-ND1 3.19Å; E456-H459 WeakPolarHBondContact O-CB 3.48Å; E456-H459 PolarHBondContact O-N 3.02Å; E456-V460 PolarHBondContact O-N 3.43Å
457S98.8Very high98.2Very high42 Ų4230.2 Ų30.229%0.29416%0.158SC..Hα-helixtrans-52.9-41.8178.2166.80000112.6E387 H459 V460 Q461E387-S457 VanDerWaalsContact CD-OG 3.24Å; E387-S457 PolarHBondContact OE1-OG 3.42Å; E387-S457 VanDerWaalsContact OE2-CB 3.24Å; E387-S457 WeakPolarHBondContact OE2-CB 3.35Å; E387-S457 PolarHBondContact OE2-OG 2.92Å; E387-S457 VanDerWaalsContact OE2-OG 3.11Å; S457-H459 VanDerWaalsContact C-N 3.3Å; S457-H459 PolarHBondContact O-N 3Å; S457-V460 WeakPolarHBondContact O-CB 3.18Å; S457-V460 PolarHBondContact O-N 3.47Å; S457-V460 VanDerWaalsContact O-N 3.09Å; S457-Q461 WeakPolarHBondContact O-CG 3.21Å; S457-Q461 PolarHBondContact O-N 3.18Å; S457-Q461 PolarHBondContact OG-NE2 2.94Å
458A98.6Very high98.2Very high57 Ų5734.8 Ų34.847%0.47118%0.175SC..Hα-helixtrans-57.6-40176.800000112.9E456 Q461 L462E456-A458 VanDerWaalsContact C-N 3.26Å; E456-A458 PolarHBondContact O-N 3.16Å; A458-Q461 PolarHBondContact O-N 3.24Å; A458-L462 WeakPolarHBondContact O-CB 3.46Å; A458-L462 VanDerWaalsContact O-CG 3.28Å; A458-L462 WeakPolarHBondContact O-CG 3.45Å; A458-L462 PolarHBondContact O-N 2.92Å
459H98.8Very high98.2Very high18 Ų1840.5 Ų40.58%0.08320%0.202CC..Hα-helixtrans-66.2-40.2177.3-56.1113.3000111.8E25 P74 Y75 T454 V455 E456 S457 A463E25-H459 IonicContact OE1-CD2 2.66Å; E25-H459 IonicContact OE1-NE2 3.92Å; E25-H459 IonicContact OE2-NE2 3.07Å; E25-H459 PolarHBondContact OE2-NE2 3.45Å; P74-H459 HydrophobicContact CB-CB 4.26Å; Y75-H459 HydrophobicContact CE1-CB 4.21Å; Y75-H459 AromaticContact CE1-CD2 3.91Å; Y75-H459 AromaticContact CZ-CD2 3.72Å; T454-H459 PolarHBondContact O-CE1 3.04Å; V455-H459 HydrophobicContact CG2-CB 4.11Å; E456-H459 WeakPolarHBondContact CB-ND1 3.45Å; E456-H459 PolarHBondContact N-ND1 3.19Å; E456-H459 WeakPolarHBondContact O-CB 3.48Å; E456-H459 PolarHBondContact O-N 3.02Å; S457-H459 VanDerWaalsContact C-N 3.3Å; S457-H459 PolarHBondContact O-N 3Å; H459-A463 VanDerWaalsContact O-CB 3.29Å; H459-A463 WeakPolarHBondContact O-CB 3.41Å; H459-A463 PolarHBondContact O-N 3.05Å
460V98.9Very high98.2Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-64.5-43.7177.1175.60000110.8L384 F388 L391 F448 V455 E456 S457 A463 W464L384-V460 HydrophobicContact CB-CG2 4.2Å; L384-V460 HydrophobicContact CD2-CG2 4.13Å; F388-V460 HydrophobicContact CB-CG1 3.69Å; F388-V460 HydrophobicContact CD2-CG1 3.96Å; F388-V460 HydrophobicContact CG-CG1 4.31Å; L391-V460 HydrophobicContact CD1-CG1 4.35Å; F448-V460 HydrophobicContact CZ-CG1 4.47Å; V455-V460 HydrophobicContact CG2-CG2 4.42Å; E456-V460 PolarHBondContact O-N 3.43Å; S457-V460 WeakPolarHBondContact O-CB 3.18Å; S457-V460 PolarHBondContact O-N 3.47Å; S457-V460 VanDerWaalsContact O-N 3.09Å; V460-A463 PolarHBondContact O-N 3.19Å; V460-W464 WeakPolarHBondContact O-CB 3.22Å; V460-W464 PolarHBondContact O-N 3.03Å
461Q98.8Very high98.2Very high84 Ų8441.9 Ų41.939%0.39321%0.209SC..Hα-helixtrans-63.7-48177.7-69.8175.220.800111.6E387 L391 S457 A458 A463 W464 E465E387-Q461 PolarHBondContact OE1-NE2 3.38Å; L391-Q461 HydrophobicContact CD1-CG 4.32Å; S457-Q461 WeakPolarHBondContact O-CG 3.21Å; S457-Q461 PolarHBondContact O-N 3.18Å; S457-Q461 PolarHBondContact OG-NE2 2.94Å; A458-Q461 PolarHBondContact O-N 3.24Å; Q461-A463 VanDerWaalsContact C-N 3.33Å; Q461-A463 PolarHBondContact O-N 3.03Å; Q461-W464 PolarHBondContact O-N 3.25Å; Q461-E465 WeakPolarHBondContact O-CG 3.36Å; Q461-E465 PolarHBondContact O-N 3.46Å
462L98.6Very high98.2Very high86 Ų8643.3 Ų43.345%0.4522%0.219SC..Hα-helixtrans-61.1-41.5176.8-72.7170.5000112.2A458 W464 E465 H466A458-L462 WeakPolarHBondContact O-CB 3.46Å; A458-L462 VanDerWaalsContact O-CG 3.28Å; A458-L462 WeakPolarHBondContact O-CG 3.45Å; A458-L462 PolarHBondContact O-N 2.92Å; L462-W464 VanDerWaalsContact C-N 3.35Å; L462-E465 PolarHBondContact O-N 3.13Å; L462-H466 WeakPolarHBondContact O-CB 3.42Å; L462-H466 PolarHBondContact O-N 3.39Å
463A98.7Very high98.2Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-61.9-44.3175.500000111.4F77 I433 F448 H459 V460 Q461 H466 I467F77-A463 HydrophobicContact CD2-CB 4.43Å; F77-A463 HydrophobicContact CE2-CB 3.65Å; F77-A463 HydrophobicContact CZ-CB 4.16Å; I433-A463 HydrophobicContact CD1-CB 4.31Å; I433-A463 HydrophobicContact CG2-CB 3.9Å; F448-A463 HydrophobicContact CE2-CB 3.91Å; F448-A463 HydrophobicContact CZ-CB 4.29Å; H459-A463 VanDerWaalsContact O-CB 3.29Å; H459-A463 WeakPolarHBondContact O-CB 3.41Å; H459-A463 PolarHBondContact O-N 3.05Å; V460-A463 PolarHBondContact O-N 3.19Å; Q461-A463 VanDerWaalsContact C-N 3.33Å; Q461-A463 PolarHBondContact O-N 3.03Å; A463-H466 PolarHBondContact O-N 3.33Å; A463-I467 WeakPolarHBondContact O-CD1 3.3Å; A463-I467 VanDerWaalsContact O-CG1 3.25Å; A463-I467 WeakPolarHBondContact O-CG1 3.41Å; A463-I467 PolarHBondContact O-N 3.06Å
464W98.9Very high98.2Very high9 Ų941.7 Ų41.73%0.03422%0.22CC..Hα-helixtrans-64.7-45.1177175.1-119.3000112.8F388 L391 V392 D395 F398 F411 V460 Q461 L462 H466 I467 R468F388-W464 HydrophobicContact CD2-CB 4.34Å; F388-W464 HydrophobicContact CE2-CB 4.13Å; F388-W464 AromaticContact CE2-CE3 3.87Å; F388-W464 HydrophobicContact CE2-CE3 3.87Å; F388-W464 HydrophobicContact CZ-CE3 4.1Å; L391-W464 HydrophobicContact CB-CD2 4.22Å; L391-W464 HydrophobicContact CB-CG 3.9Å; L391-W464 HydrophobicContact CD1-CB 4Å; L391-W464 HydrophobicContact CD1-CG 4.09Å; L391-W464 WeakPolarHBondContact O-CZ2 3.41Å; V392-W464 HydrophobicContact CB-CH2 4.23Å; V392-W464 HydrophobicContact CB-CZ3 4.38Å; V392-W464 HydrophobicContact CG1-CH2 4.45Å; V392-W464 HydrophobicContact CG2-CE3 3.98Å; V392-W464 HydrophobicContact CG2-CH2 3.95Å; V392-W464 HydrophobicContact CG2-CZ3 3.6Å; D395-W464 HydrophobicContact CB-CH2 4.2Å; D395-W464 HydrophobicContact CB-CZ2 3.7Å; F398-W464 HydrophobicContact CD1-CH2 4.42Å; F398-W464 AromaticContact CD2-CH2 3.61Å; F398-W464 HydrophobicContact CD2-CH2 3.61Å; F398-W464 HydrophobicContact CD2-CZ2 4.43Å; F398-W464 HydrophobicContact CD2-CZ3 4.46Å; F398-W464 HydrophobicContact CE1-CH2 4.44Å; F398-W464 HydrophobicContact CE1-CZ3 4.41Å; F398-W464 AromaticContact CE2-CH2 3.64Å; F398-W464 HydrophobicContact CE2-CH2 3.64Å; F398-W464 HydrophobicContact CE2-CZ2 4.45Å; F398-W464 HydrophobicContact CE2-CZ3 4.27Å; F398-W464 AromaticContact CG-CH2 3.99Å; F398-W464 HydrophobicContact CG-CH2 3.99Å; F398-W464 HydrophobicContact CZ-CH2 4.05Å; F398-W464 HydrophobicContact CZ-CZ3 4.21Å; F411-W464 HydrophobicContact CE2-CZ3 4.48Å; V460-W464 WeakPolarHBondContact O-CB 3.22Å; V460-W464 PolarHBondContact O-N 3.03Å; Q461-W464 PolarHBondContact O-N 3.25Å; L462-W464 VanDerWaalsContact C-N 3.35Å; W464-H466 VanDerWaalsContact C-N 3.27Å; W464-H466 PolarHBondContact O-N 2.87Å; W464-I467 HydrophobicContact CE3-CB 4.2Å; W464-I467 HydrophobicContact CE3-CD1 4.48Å; W464-I467 HydrophobicContact CE3-CG2 4.11Å; W464-I467 HydrophobicContact CZ3-CB 4.48Å; W464-I467 HydrophobicContact CZ3-CG2 3.9Å; W464-I467 PolarHBondContact O-N 3.28Å; W464-R468 VanDerWaalsContact O-CB 3.31Å; W464-R468 WeakPolarHBondContact O-CB 3.4Å; W464-R468 PolarHBondContact O-N 3.28Å
465E98.7Very high98.2Very high82 Ų8241 Ų4138%0.38321%0.214SC..Hα-helixtrans-56.1-45.2175.8-74.5178.4168.600111.1Q461 L462 R468 E469Q461-E465 WeakPolarHBondContact O-CG 3.36Å; Q461-E465 PolarHBondContact O-N 3.46Å; L462-E465 PolarHBondContact O-N 3.13Å; E465-R468 WeakPolarHBondContact O-CB 3.37Å; E465-R468 PolarHBondContact O-N 3.43Å; E465-E469 WeakPolarHBondContact O-CG 3.45Å; E465-E469 PolarHBondContact O-N 3.31Å
466H98.4Very high98Very high17 Ų1748.7 Ų48.78%0.07924%0.243CC..Hα-helixtrans-62-45177-174.747.7000112.8L462 A463 W464 R468 E469 L470L462-H466 WeakPolarHBondContact O-CB 3.42Å; L462-H466 PolarHBondContact O-N 3.39Å; A463-H466 PolarHBondContact O-N 3.33Å; W464-H466 VanDerWaalsContact C-N 3.27Å; W464-H466 PolarHBondContact O-N 2.87Å; H466-R468 VanDerWaalsContact C-N 3.31Å; H466-R468 PolarHBondContact O-N 3.32Å; H466-E469 PolarHBondContact O-N 3.05Å; H466-L470 VanDerWaalsContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact CE1-CD1 3.35Å; H466-L470 WeakPolarHBondContact NE2-CD1 3.36Å; H466-L470 WeakPolarHBondContact O-CG 3.08Å; H466-L470 PolarHBondContact O-N 2.96Å; H466-L470 VanDerWaalsContact O-N 3.1Å
467I98.8Very high97.5Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-58.9-44.8174.9-69.5162000110.3F388 F398 F411 I427 I433 L435 A463 W464 L470 A471F388-I467 HydrophobicContact CE2-CD1 4.06Å; F388-I467 HydrophobicContact CZ-CD1 4.04Å; F398-I467 HydrophobicContact CE1-CG2 4.17Å; F398-I467 HydrophobicContact CZ-CG2 4.01Å; F411-I467 HydrophobicContact CE2-CG2 4.01Å; F411-I467 HydrophobicContact CZ-CD1 4.05Å; F411-I467 HydrophobicContact CZ-CG2 4.36Å; I427-I467 HydrophobicContact CD1-CG1 3.94Å; I427-I467 HydrophobicContact CD1-CG2 4.41Å; I427-I467 HydrophobicContact CG1-CG1 4.48Å; I433-I467 HydrophobicContact CD1-CD1 3.83Å; I433-I467 HydrophobicContact CD1-CG1 3.72Å; L435-I467 HydrophobicContact CD1-CD1 4.29Å; A463-I467 WeakPolarHBondContact O-CD1 3.3Å; A463-I467 VanDerWaalsContact O-CG1 3.25Å; A463-I467 WeakPolarHBondContact O-CG1 3.41Å; A463-I467 PolarHBondContact O-N 3.06Å; W464-I467 HydrophobicContact CE3-CB 4.2Å; W464-I467 HydrophobicContact CE3-CD1 4.48Å; W464-I467 HydrophobicContact CE3-CG2 4.11Å; W464-I467 HydrophobicContact CZ3-CB 4.48Å; W464-I467 HydrophobicContact CZ3-CG2 3.9Å; W464-I467 PolarHBondContact O-N 3.28Å; I467-L470 PolarHBondContact O-N 3.25Å; I467-A471 VanDerWaalsContact O-CB 3.3Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.09Å
468R98.4Very high96.7Very high102 Ų10249.6 Ų49.639%0.38525%0.251SS..Hα-helixtrans-65.2-39.7-177.7-167.6-178.260.9-168.1-7.8112.4R397 W464 E465 H466 S472R397-R468 PolarHBondContact NH2-O 2.69Å; W464-R468 VanDerWaalsContact O-CB 3.31Å; W464-R468 WeakPolarHBondContact O-CB 3.4Å; W464-R468 PolarHBondContact O-N 3.28Å; E465-R468 WeakPolarHBondContact O-CB 3.37Å; E465-R468 PolarHBondContact O-N 3.43Å; H466-R468 VanDerWaalsContact C-N 3.31Å; H466-R468 PolarHBondContact O-N 3.32Å; R468-S472 PolarHBondContact O-N 3.4Å; R468-S472 VanDerWaalsContact O-N 3.09Å; R468-S472 PolarHBondContact O-OG 3.19Å
469E98.4Very high95.6Very high120 Ų12055.9 Ų55.956%0.56127%0.267SS*.Hα-helixtrans-64-49.2174.9-75.7176.9174.200111.3E465 H466 A471 S472 S473E465-E469 WeakPolarHBondContact O-CG 3.45Å; E465-E469 PolarHBondContact O-N 3.31Å; H466-E469 PolarHBondContact O-N 3.05Å; E469-A471 PolarHBondContact O-N 2.85Å; E469-S472 WeakPolarHBondContact O-CB 3.47Å; E469-S472 PolarHBondContact O-N 3.04Å; E469-S472 VanDerWaalsContact O-N 3.15Å; E469-S473 PolarHBondContact O-N 2.87Å; E469-S473 VanDerWaalsContact O-N 3.12Å
470L98.4Very high94Very high30 Ų3065.3 Ų65.316%0.15731%0.311CS..Hα-helixtrans-64-41.8179.1-69.6172.2000111.6L423 R426 I427 H466 I467 S472 S473 V474L423-L470 HydrophobicContact CD1-CB 3.97Å; R426-L470 HydrophobicContact CB-CD1 4.49Å; R426-L470 HydrophobicContact CB-CD2 4.24Å; I427-L470 HydrophobicContact CB-CD1 4.23Å; I427-L470 HydrophobicContact CG1-CD1 3.62Å; H466-L470 VanDerWaalsContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact CE1-CD1 3.35Å; H466-L470 WeakPolarHBondContact NE2-CD1 3.36Å; H466-L470 WeakPolarHBondContact O-CG 3.08Å; H466-L470 PolarHBondContact O-N 2.96Å; H466-L470 VanDerWaalsContact O-N 3.1Å; I467-L470 PolarHBondContact O-N 3.25Å; L470-S472 VanDerWaalsContact C-N 3.28Å; L470-S472 PolarHBondContact O-N 3.03Å; L470-S473 WeakPolarHBondContact O-CB 3.29Å; L470-S473 PolarHBondContact O-N 3.31Å; L470-V474 WeakPolarHBondContact O-CG2 3.18Å; L470-V474 PolarHBondContact O-N 3.06Å
471A98.3Very high93.8Very high0 Ų068.6 Ų68.60%033%0.327CS..Hα-helixtrans-58.1-40173.400000112.4F398 L413 L423 I467 E469 S473 V474 L475F398-A471 HydrophobicContact CE1-CB 4.47Å; F398-A471 HydrophobicContact CE2-CB 4.08Å; F398-A471 HydrophobicContact CZ-CB 3.52Å; L413-A471 HydrophobicContact CD1-CB 4.18Å; L413-A471 HydrophobicContact CD2-CB 4.09Å; L423-A471 HydrophobicContact CD1-CB 4.11Å; L423-A471 HydrophobicContact CD2-CB 4.44Å; I467-A471 VanDerWaalsContact O-CB 3.3Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.09Å; E469-A471 PolarHBondContact O-N 2.85Å; A471-S473 VanDerWaalsContact C-N 3.26Å; A471-S473 PolarHBondContact O-N 3.37Å; A471-V474 PolarHBondContact O-N 2.76Å; A471-L475 WeakPolarHBondContact O-CB 3.46Å; A471-L475 VanDerWaalsContact O-CG 3.29Å; A471-L475 WeakPolarHBondContact O-CG 3.28Å; A471-L475 PolarHBondContact O-N 2.82Å
472S97.8Very high93.5Very high32 Ų3267.7 Ų67.722%0.22432%0.323CS..Hα-helixtrans-64.8-30.7175.4-52.20000112.8R397 R468 E469 L470 R476R397-S472 PolarHBondContact NH1-OG 3.21Å; R468-S472 PolarHBondContact O-N 3.4Å; R468-S472 VanDerWaalsContact O-N 3.09Å; R468-S472 PolarHBondContact O-OG 3.19Å; E469-S472 WeakPolarHBondContact O-CB 3.47Å; E469-S472 PolarHBondContact O-N 3.04Å; E469-S472 VanDerWaalsContact O-N 3.15Å; L470-S472 VanDerWaalsContact C-N 3.28Å; L470-S472 PolarHBondContact O-N 3.03Å; S472-R476 WeakPolarHBondContact O-CG 3.27Å; S472-R476 PolarHBondContact O-N 3.45Å; S472-R476 PolarHBondContact O-NE 2.75Å
473S96.1Very high93.2Very high47 Ų4766.7 Ų66.733%0.32932%0.316SS..Hα-helixtrans-76.1-43.2174.8-1770000111.7R426 E469 L470 A471 R476 A477R426-S473 PolarHBondContact NH1-OG 2.85Å; E469-S473 PolarHBondContact O-N 2.87Å; E469-S473 VanDerWaalsContact O-N 3.12Å; L470-S473 WeakPolarHBondContact O-CB 3.29Å; L470-S473 PolarHBondContact O-N 3.31Å; A471-S473 VanDerWaalsContact C-N 3.26Å; A471-S473 PolarHBondContact O-N 3.37Å; S473-R476 PolarHBondContact O-N 3.12Å; S473-A477 PolarHBondContact O-N 2.86Å; S473-A477 VanDerWaalsContact O-N 3.15Å
474V96.7Very high92.9Very high6 Ų670.6 Ų70.64%0.03634%0.335CS..Hα-helixtrans-62.1-48.1177.8175.90000111.2L419 T422 R426 L470 A471 R476 A477 E478L419-V474 HydrophobicContact CD1-CG1 3.4Å; L419-V474 HydrophobicContact CG-CG1 4.46Å; T422-V474 HydrophobicContact CG2-CG1 4.1Å; T422-V474 HydrophobicContact CG2-CG2 4.24Å; R426-V474 HydrophobicContact CG-CG2 4.46Å; L470-V474 WeakPolarHBondContact O-CG2 3.18Å; L470-V474 PolarHBondContact O-N 3.06Å; A471-V474 PolarHBondContact O-N 2.76Å; V474-R476 PolarHBondContact O-N 2.61Å; V474-A477 PolarHBondContact O-N 3.39Å; V474-E478 PolarHBondContact O-N 2.96Å; V474-E478 VanDerWaalsContact O-N 3.12Å
475L95.8Very high92.5Very high36 Ų3674.5 Ų74.519%0.18835%0.354CS..Hα-helixtrans-67.6-22.3-179.8-70.2168.3000113.8R397 L413 L419 A471 K479R397-L475 HydrophobicContact CB-CD1 4.38Å; R397-L475 HydrophobicContact CG-CD1 4.33Å; L413-L475 HydrophobicContact CD1-CG 4.47Å; L413-L475 HydrophobicContact CD2-CD1 4.23Å; L419-L475 HydrophobicContact CD1-CD2 4.17Å; L419-L475 HydrophobicContact CD2-CD2 3.94Å; A471-L475 WeakPolarHBondContact O-CB 3.46Å; A471-L475 VanDerWaalsContact O-CG 3.29Å; A471-L475 WeakPolarHBondContact O-CG 3.28Å; A471-L475 PolarHBondContact O-N 2.82Å; L475-K479 WeakPolarHBondContact O-CG 3.49Å
476R93.5Very high92.1Very high161 Ų16174 Ų7461%0.60835%0.352SS*.Hα-helixtrans-74.4-45.7172-84.1-177-84.6-179.4-5.5110.7S472 S473 V474 E478 K479 E480S472-R476 WeakPolarHBondContact O-CG 3.27Å; S472-R476 PolarHBondContact O-N 3.45Å; S472-R476 PolarHBondContact O-NE 2.75Å; S473-R476 PolarHBondContact O-N 3.12Å; V474-R476 PolarHBondContact O-N 2.61Å; R476-E478 PolarHBondContact O-N 2.77Å; R476-K479 PolarHBondContact O-N 3.48Å; R476-K479 VanDerWaalsContact O-N 3.09Å; R476-E480 PolarHBondContact O-N 3.45Å
477A87.9Confident91.7Very high45 Ų4578.1 Ų78.137%0.37237%0.371SS..Hα-helixtrans-66-20.4178.200000114S473 V474S473-A477 PolarHBondContact O-N 2.86Å; S473-A477 VanDerWaalsContact O-N 3.15Å; V474-A477 PolarHBondContact O-N 3.39Å
478E81.6Confident91.1Very high110 Ų11084.1 Ų84.151%0.51440%0.4SS..THydrogen-bonded Turntrans-79-19.6174.1-170.2177.6-145.500112.9L419 V474 R476L419-E478 WeakPolarHBondContact CD1-OE2 3.14Å; V474-E478 PolarHBondContact O-N 2.96Å; V474-E478 VanDerWaalsContact O-N 3.12Å; R476-E478 PolarHBondContact O-N 2.77Å
479K76.8Confident90.5Very high188 Ų18882.6 Ų82.682%0.81740%0.401SS*.THydrogen-bonded Turntrans-93.5-16.9-179.8-69179.9-179.8-175.80113.5L475 R476L475-K479 WeakPolarHBondContact O-CG 3.49Å; R476-K479 PolarHBondContact O-N 3.48Å; R476-K479 VanDerWaalsContact O-N 3.09Å
480E65.2Low89.8Confident216 Ų21679.2 Ų79.2100%1.00939%0.387SS*.  trans-88.20172.3-68.2173.6-174.200109.3R476R476-E480 PolarHBondContact O-N 3.45Å

Retrieved 480 of 480 residues in 144.8 ms (Link to these results)

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