A0A077YUX6_TRITR Loading...

Vesicle-fusing ATPase

Required for vesicle-mediated transport. Catalyzes the fusion of transport vesicles within the Golgi cisternae. Is also required for transport from the endoplasmic reticulum to the Golgi stack. Seems to function as a fusion protein required for the delivery of cargo proteins to all compartments of the Golgi stack independent of vesicle origin.

AlphaFold DB , UniProt , Accession A0A077YUX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 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
1M62.6Low84.8Confident107 Ų10773.9 Ų73.953%0.52736%0.361SS..  0141.60-69.2170.9-172.400107.8D32 I34 L36 P86M1-D32 HydrophobicContact CE-CB 3.98Å; M1-D32 HydrophobicContact SD-CB 4.09Å; M1-I34 HydrophobicContact CE-CB 3.8Å; M1-I34 HydrophobicContact CE-CD1 3.45Å; M1-I34 VanDerWaalsContact CE-CD1 3.45Å; M1-I34 HydrophobicContact CE-CG1 4.11Å; M1-I34 HydrophobicContact CE-CG2 4.27Å; M1-L36 HydrophobicContact CE-CD1 4.01Å; M1-L36 HydrophobicContact SD-CD1 3.44Å; M1-L36 WeakPolarHBondContact SD-CD1 3.03Å; M1-L36 HydrophobicContact SD-CG 4.4Å; M1-P86 HydrophobicContact CB-CB 3.94Å; M1-P86 HydrophobicContact CB-CG 3.56Å; M1-P86 HydrophobicContact CG-CB 4.25Å; M1-P86 HydrophobicContact CG-CG 4.12Å; M1-P86 HydrophobicContact SD-CB 3.33Å; M1-P86 WeakPolarHBondContact SD-CB 3.42Å; M1-P86 HydrophobicContact SD-CG 3.38Å; M1-P86 WeakPolarHBondContact SD-CG 3.35Å
2A70.5Confident84.5Confident75 Ų7572.9 Ų72.962%0.6238%0.384SS*.  trans-73146.6-179.300000110.9
3P80.5Confident84.5Confident64 Ų6472.8 Ų72.842%0.41639%0.388SS..  trans-62.7143172.226.2-32.6000110.6E83 Q85P3-E83 HydrophobicContact CB-CG 3.57Å; P3-E83 VanDerWaalsContact CB-OE1 3.29Å; P3-E83 WeakPolarHBondContact CB-OE1 3.43Å; P3-Q85 HydrophobicContact CB-CB 4.29Å
4K85.5Confident84.3Confident62 Ų6277.4 Ų77.427%0.2741%0.406SS..EExtended strand (participates in β ladder)trans-115.1140.4174.9-70.4176.6-179.1162.50109.2D28 F29 D32 V84K4-D28 PolarHBondContact NZ-O 3.2Å; K4-F29 HydrophobicContact CD-CE1 4.29Å; K4-D32 IonicContact NZ-OD2 2.68Å; K4-D32 PolarHBondContact NZ-OD2 2.96Å; K4-V84 PolarHBondContact N-O 2.87Å; K4-V84 PolarHBondContact O-N 2.98Å
5W89Confident84.3Confident172 Ų17282.7 Ų82.765%0.65243%0.428SS*.EExtended strand (participates in β ladder)trans-87.3125.4171.8-71.191.8000109.3E81 I82 E83W5-E81 HydrophobicContact CE3-CB 4.32Å; W5-I82 WeakPolarHBondContact CA-O 3.45Å; W5-E83 HydrophobicContact CH2-CB 4.26Å; W5-E83 HydrophobicContact CZ2-CB 4.36Å; W5-E83 HydrophobicContact CZ3-CB 4.35Å
6M90.7Very high84.3Confident5 Ų578.3 Ų78.33%0.02541%0.405CS..EExtended strand (participates in β ladder)trans-130.7151.5179.4-59.1-173.979.400110.2V24 D28 F29 G62 T63 I64 I82 V84M6-V24 HydrophobicContact CE-CG1 4.34Å; M6-D28 HydrophobicContact CE-CB 4.17Å; M6-D28 WeakPolarHBondContact CE-OD2 3.48Å; M6-F29 HydrophobicContact SD-CE2 4.37Å; M6-F29 HydrophobicContact SD-CZ 4.09Å; M6-G62 WeakPolarHBondContact CA-O 3.47Å; M6-T63 WeakPolarHBondContact CE-O 3.36Å; M6-I64 HydrophobicContact CB-CG2 4Å; M6-I64 HydrophobicContact CE-CB 4.15Å; M6-I64 HydrophobicContact SD-CB 4.33Å; M6-I82 PolarHBondContact N-O 3.08Å; M6-I82 WeakPolarHBondContact O-CG1 3.34Å; M6-I82 PolarHBondContact O-N 3.11Å; M6-V84 HydrophobicContact CB-CG2 4.06Å; M6-V84 HydrophobicContact CG-CB 4.42Å; M6-V84 HydrophobicContact CG-CG2 4.07Å; M6-V84 HydrophobicContact SD-CB 4.17Å; M6-V84 HydrophobicContact SD-CG1 4.33Å; M6-V84 HydrophobicContact SD-CG2 4Å
7R91.8Very high84.3Confident127 Ų12775.6 Ų75.648%0.47940%0.397SS..EExtended strand (participates in β ladder)trans-93.1136.7173.3-72.2-177.9-178.6-175.2-0.1111.6G62 T63 I64 Q80 E81R7-G62 PolarHBondContact N-O 2.88Å; R7-T63 HydrophobicContact CB-CG2 4.29Å; R7-T63 CarbonylContact O-C 3.52Å; R7-T63 WeakPolarHBondContact O-CA 3.42Å; R7-T63 WeakPolarHBondContact O-CB 3.38Å; R7-I64 PolarHBondContact O-N 2.95Å; R7-Q80 WeakPolarHBondContact CA-O 3.49Å; R7-E81 HydrophobicContact CG-CG 3.65Å; R7-E81 IonicContact CZ-OE1 3.64Å; R7-E81 IonicContact NE-OE1 2.88Å; R7-E81 PolarHBondContact NE-OE1 3.42Å; R7-E81 IonicContact NH2-OE1 3.46Å; R7-E81 PolarHBondContact NH2-OE1 3.14Å
8T91.3Very high84.3Confident0 Ų072.4 Ų72.40%038%0.38CS..EExtended strand (participates in β ladder)trans-73.7133.7176.955.60000111.3I64 F66 L76 S77 D79 Q80 I82T8-I64 WeakPolarHBondContact CA-O 3.43Å; T8-F66 HydrophobicContact CG2-CD2 4.22Å; T8-F66 HydrophobicContact CG2-CE2 4.03Å; T8-L76 HydrophobicContact CG2-CB 4.39Å; T8-L76 HydrophobicContact CG2-CD1 4.32Å; T8-L76 HydrophobicContact CG2-CD2 4.16Å; T8-S77 WeakPolarHBondContact CB-O 3.35Å; T8-S77 PolarHBondContact OG1-O 3.42Å; T8-D79 WeakPolarHBondContact O-CA 3.37Å; T8-D79 PolarHBondContact O-N 2.94Å; T8-D79 PolarHBondContact OG1-N 3.48Å; T8-Q80 HydrophobicContact CG2-CB 4.35Å; T8-Q80 PolarHBondContact N-O 3.29Å; T8-Q80 PolarHBondContact OG1-N 3.16Å; T8-Q80 PolarHBondContact OG1-O 3.08Å; T8-I82 HydrophobicContact CG2-CD1 3.66Å; T8-I82 HydrophobicContact CG2-CG1 3.96Å; T8-I82 HydrophobicContact CG2-CG2 4.14Å
9T92.2Very high84.4Confident40 Ų4070 Ų7025%0.24537%0.369CS..EExtended strand (participates in β ladder)trans-130.6173.9172.1-169.70000111.2I64 A65 F66T9-I64 PolarHBondContact N-O 3.39Å; T9-A65 HydrophobicContact CG2-CB 3.57Å; T9-A65 WeakPolarHBondContact O-CA 3.39Å; T9-F66 PolarHBondContact O-N 3.08Å
10K91.6Very high84.4Confident140 Ų14066.9 Ų66.961%0.60935%0.353SS*.EExtended strand (participates in β ladder)trans-89.7145.4175.867.2-179.4-177.6-179.30110.6L78K10-L78 HydrophobicContact CB-CD2 3.97Å
11V87.6Confident84.6Confident21 Ų2163.9 Ų63.913%0.12734%0.337CS..  trans-63.9140.6168.3171.90000110.5T13 M16 F23 A65 F66V11-T13 VanDerWaalsContact CG1-O 3.32Å; V11-T13 WeakPolarHBondContact CG1-O 3.33Å; V11-M16 HydrophobicContact CG1-CB 3.13Å; V11-M16 HydrophobicContact CG1-CE 4.19Å; V11-M16 HydrophobicContact CG1-CG 4.15Å; V11-M16 HydrophobicContact CG1-SD 4Å; V11-F23 HydrophobicContact CG2-CD2 3.97Å; V11-F23 HydrophobicContact CG2-CE2 4.39Å; V11-A65 HydrophobicContact CG2-CB 4.02Å; V11-F66 VanDerWaalsContact CG2-C 3.44Å; V11-F66 PolarHBondContact N-O 3.45Å
12G80.4Confident85.9Confident62 Ų6258.8 Ų58.864%0.63931%0.312SS*.SBendtrans-83-27.9-173.100000115.6
13T85.5Confident86.8Confident72 Ų7255.7 Ų55.744%0.44228%0.284SS..SBendtrans-127.6156.4-177.8650000111.9V11 M16 A17V11-T13 VanDerWaalsContact CG1-O 3.32Å; V11-T13 WeakPolarHBondContact CG1-O 3.33Å; T13-M16 WeakPolarHBondContact OG1-CG 3.45Å; T13-M16 PolarHBondContact OG1-N 2.78Å; T13-M16 PolarHBondContact OG1-SD 3.33Å; T13-A17 PolarHBondContact O-N 3.28Å
14E81.5Confident87.3Confident136 Ų13652.6 Ų52.664%0.63627%0.265SS*.Hα-helixtrans-67.4-35.5176.4-67.7-157.7152.800112.6M16 A17 L18 K148E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 3.21Å; E14-A17 WeakPolarHBondContact O-CA 3.36Å; E14-A17 WeakPolarHBondContact O-CB 3.28Å; E14-A17 PolarHBondContact O-N 3.34Å; E14-L18 PolarHBondContact O-N 3.35Å; E14-K148 IonicContact OE1-NZ 2.77Å; E14-K148 IonicContact OE2-NZ 3.43Å; E14-K148 PolarHBondContact OE2-NZ 3Å
15E83.8Confident87.4Confident158 Ų15851 Ų5174%0.73826%0.259SS*.Hα-helixtrans-59.4-43178.6-66.4-178.9171.500111.8A17 L18E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 3.47Å; E15-L18 PolarHBondContact O-N 3.45Å
16M84.5Confident87.2Confident12 Ų1245.6 Ų45.66%0.05925%0.251CS..Hα-helixtrans-60.3-39174.8-74.3172.881.600111V11 T13 E14 L18 T19 F23 H56V11-M16 HydrophobicContact CG1-CB 3.13Å; V11-M16 HydrophobicContact CG1-CE 4.19Å; V11-M16 HydrophobicContact CG1-CG 4.15Å; V11-M16 HydrophobicContact CG1-SD 4Å; T13-M16 WeakPolarHBondContact OG1-CG 3.45Å; T13-M16 PolarHBondContact OG1-N 2.78Å; T13-M16 PolarHBondContact OG1-SD 3.33Å; E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 3.21Å; M16-L18 VanDerWaalsContact C-N 3.25Å; M16-L18 PolarHBondContact O-N 2.92Å; M16-T19 PolarHBondContact O-N 3.25Å; M16-T19 PolarHBondContact O-OG1 3.47Å; M16-F23 HydrophobicContact CB-CD2 4.33Å; M16-F23 HydrophobicContact CB-CE1 4.33Å; M16-F23 HydrophobicContact CB-CE2 3.57Å; M16-F23 HydrophobicContact CB-CZ 3.54Å; M16-F23 HydrophobicContact CE-CB 3.81Å; M16-F23 HydrophobicContact CE-CD1 3.39Å; M16-F23 HydrophobicContact CE-CD2 3.6Å; M16-F23 HydrophobicContact CE-CE1 3.7Å; M16-F23 HydrophobicContact CE-CE2 3.93Å; M16-F23 HydrophobicContact CE-CG 3.29Å; M16-F23 HydrophobicContact CE-CZ 3.95Å; M16-F23 HydrophobicContact CG-CE1 3.99Å; M16-F23 HydrophobicContact CG-CE2 4.11Å; M16-F23 HydrophobicContact CG-CZ 3.69Å; M16-F23 VanDerWaalsContact O-CE2 3.28Å; M16-F23 WeakPolarHBondContact O-CE2 3.42Å; M16-H56 HydrophobicContact CE-CB 3.8Å
17A84.4Confident86.8Confident33 Ų3348.1 Ų48.127%0.27327%0.273SS..Hα-helixtrans-65.4-26.5179.600000113.6T13 E14 E15 T19T13-A17 PolarHBondContact O-N 3.28Å; E14-A17 WeakPolarHBondContact O-CA 3.36Å; E14-A17 WeakPolarHBondContact O-CB 3.28Å; E14-A17 PolarHBondContact O-N 3.34Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 3.47Å; A17-T19 VanDerWaalsContact C-N 3.33Å
18L84.7Confident86.3Confident17 Ų1743.1 Ų43.19%0.08926%0.255CS..Hα-helixtrans-78.3-14.9178.6-64170.1000113.6E14 E15 M16 N20 Q128 F129 V141 Q143E14-L18 PolarHBondContact O-N 3.35Å; E15-L18 PolarHBondContact O-N 3.45Å; M16-L18 VanDerWaalsContact C-N 3.25Å; M16-L18 PolarHBondContact O-N 2.92Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.05Å; L18-Q128 PolarHBondContact O-NE2 3.09Å; L18-Q128 VanDerWaalsContact O-NE2 3.12Å; L18-F129 WeakPolarHBondContact O-CE1 3.4Å; L18-F129 WeakPolarHBondContact O-CZ 3.43Å; L18-V141 HydrophobicContact CD2-CB 4.4Å; L18-V141 HydrophobicContact CD2-CG1 3.75Å; L18-Q143 HydrophobicContact CD1-CB 4.19Å; L18-Q143 HydrophobicContact CD2-CB 4.12Å
19T84.8Confident85.7Confident27 Ų2744.1 Ų44.117%0.16626%0.26CS..THydrogen-bonded Turntrans-76.6-12.8-179.765.40000113.4M16 A17 C21 F23 R132M16-T19 PolarHBondContact O-N 3.25Å; M16-T19 PolarHBondContact O-OG1 3.47Å; A17-T19 VanDerWaalsContact C-N 3.33Å; T19-C21 PolarHBondContact O-N 3.31Å; T19-C21 PolarHBondContact OG1-N 3.47Å; T19-F23 HydrophobicContact CG2-CZ 4.36Å; T19-F23 VanDerWaalsContact OG1-CZ 3.28Å; T19-F23 WeakPolarHBondContact OG1-CZ 3.38Å; T19-R132 WeakPolarHBondContact O-CD 3.44Å; T19-R132 PolarHBondContact O-NE 3.36Å; T19-R132 VanDerWaalsContact O-NE 3.08Å; T19-R132 PolarHBondContact O-NH1 3.15Å
20N85.9Confident84.6Confident8 Ų845.7 Ų45.74%0.04328%0.277CS..THydrogen-bonded Turntrans50.925.6-171.6-16736.1000113.9L18 Q70 F129 F134 Q138 I140L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.05Å; N20-Q70 PolarHBondContact O-NE2 3.37Å; N20-Q70 VanDerWaalsContact O-NE2 3.13Å; N20-Q70 PolarHBondContact OD1-NE2 3.36Å; N20-F129 HydrophobicContact CB-CD1 4.17Å; N20-F129 HydrophobicContact CB-CE1 3.71Å; N20-F134 WeakPolarHBondContact ND2-CE1 3.38Å; N20-Q138 PolarHBondContact ND2-NE2 2.95Å; N20-Q138 PolarHBondContact OD1-NE2 3.13Å; N20-Q138 VanDerWaalsContact OD1-NE2 3.14Å; N20-I140 HydrophobicContact CB-CG2 4.29Å
21C87.8Confident83.2Confident4 Ų443.1 Ų43.13%0.02728%0.282CS..  trans-102150171.3-65.40000110.2T19 F23 S52 L54 Q70 R132T19-C21 PolarHBondContact O-N 3.31Å; T19-C21 PolarHBondContact OG1-N 3.47Å; C21-F23 WeakPolarHBondContact O-CE2 3.39Å; C21-S52 CarbonylContact C-O 3.47Å; C21-S52 VanDerWaalsContact CA-O 3.27Å; C21-S52 WeakPolarHBondContact CA-O 3.48Å; C21-L54 HydrophobicContact CB-CB 4.28Å; C21-L54 HydrophobicContact CB-CD1 3.82Å; C21-L54 HydrophobicContact CB-CG 3.87Å; C21-Q70 PolarHBondContact O-NE2 3.17Å; C21-R132 PolarHBondContact SG-NE 2.88Å
22A89.3Confident81.9Confident0 Ų044 Ų440%029%0.286CS..EExtended strand (participates in β ladder)trans-81.4139.3162.500000108.5F51 S52 I53 L54 I64 F66A22-F51 HydrophobicContact CB-CB 4.18Å; A22-S52 PolarHBondContact N-O 3.37Å; A22-I53 CarbonylContact O-C 3.52Å; A22-I53 VanDerWaalsContact O-CA 3.25Å; A22-I53 WeakPolarHBondContact O-CA 3.4Å; A22-L54 PolarHBondContact O-N 2.95Å; A22-I64 HydrophobicContact CB-CD1 3.86Å; A22-I64 HydrophobicContact CB-CG1 3.99Å; A22-F66 HydrophobicContact CB-CD1 3.93Å; A22-F66 HydrophobicContact CB-CE1 3.45Å; A22-F66 VanDerWaalsContact CB-CE1 3.45Å; A22-F66 HydrophobicContact CB-CZ 4.14Å
23F91Very high80.7Confident9 Ų952.9 Ų52.94%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-105.4133.2-179.2-64.6-95000111.5V11 M16 T19 C21 L54 H56 V59 I64 A65V11-F23 HydrophobicContact CG2-CD2 3.97Å; V11-F23 HydrophobicContact CG2-CE2 4.39Å; M16-F23 HydrophobicContact CB-CD2 4.33Å; M16-F23 HydrophobicContact CB-CE1 4.33Å; M16-F23 HydrophobicContact CB-CE2 3.57Å; M16-F23 HydrophobicContact CB-CZ 3.54Å; M16-F23 HydrophobicContact CE-CB 3.81Å; M16-F23 HydrophobicContact CE-CD1 3.39Å; M16-F23 HydrophobicContact CE-CD2 3.6Å; M16-F23 HydrophobicContact CE-CE1 3.7Å; M16-F23 HydrophobicContact CE-CE2 3.93Å; M16-F23 HydrophobicContact CE-CG 3.29Å; M16-F23 HydrophobicContact CE-CZ 3.95Å; M16-F23 HydrophobicContact CG-CE1 3.99Å; M16-F23 HydrophobicContact CG-CE2 4.11Å; M16-F23 HydrophobicContact CG-CZ 3.69Å; M16-F23 VanDerWaalsContact O-CE2 3.28Å; M16-F23 WeakPolarHBondContact O-CE2 3.42Å; T19-F23 HydrophobicContact CG2-CZ 4.36Å; T19-F23 VanDerWaalsContact OG1-CZ 3.28Å; T19-F23 WeakPolarHBondContact OG1-CZ 3.38Å; C21-F23 WeakPolarHBondContact O-CE2 3.39Å; F23-L54 VanDerWaalsContact CA-O 3.26Å; F23-L54 WeakPolarHBondContact CA-O 3.47Å; F23-L54 HydrophobicContact CD1-CB 3.87Å; F23-L54 HydrophobicContact CE1-CB 3.8Å; F23-L54 HydrophobicContact CE1-CD1 4.19Å; F23-L54 HydrophobicContact CZ-CD1 4.45Å; F23-H56 HydrophobicContact CB-CB 4.39Å; F23-H56 HydrophobicContact CD1-CB 3.76Å; F23-H56 HydrophobicContact CG-CB 4.45Å; F23-V59 HydrophobicContact CB-CG2 3.82Å; F23-I64 CarbonylContact O-C 3.59Å; F23-I64 WeakPolarHBondContact O-CA 3.47Å; F23-A65 HydrophobicContact CB-CB 4.19Å; F23-A65 PolarHBondContact N-O 3.3Å; F23-A65 PolarHBondContact O-N 3.25Å
24V90.2Very high79.5Confident0 Ų054.8 Ų54.80%031%0.306CS..EExtended strand (participates in β ladder)trans-126.9165.9179.2-56.40000110.1M6 F29 I53 L54 N55 H56 I64M6-V24 HydrophobicContact CE-CG1 4.34Å; V24-F29 HydrophobicContact CB-CD2 4.41Å; V24-F29 HydrophobicContact CB-CE2 4Å; V24-F29 HydrophobicContact CG1-CE2 3.94Å; V24-F29 HydrophobicContact CG2-CD2 3.87Å; V24-F29 HydrophobicContact CG2-CE2 3.88Å; V24-I53 HydrophobicContact CB-CG2 4.09Å; V24-I53 HydrophobicContact CG1-CG2 3.75Å; V24-I53 HydrophobicContact CG2-CG2 3.31Å; V24-L54 PolarHBondContact N-O 3.38Å; V24-L54 VanDerWaalsContact N-O 3.09Å; V24-N55 VanDerWaalsContact CG2-OD1 3.29Å; V24-N55 WeakPolarHBondContact CG2-OD1 3.45Å; V24-N55 WeakPolarHBondContact O-CA 3.43Å; V24-H56 PolarHBondContact O-N 2.69Å; V24-I64 HydrophobicContact CG1-CB 4.19Å; V24-I64 HydrophobicContact CG1-CD1 3.69Å; V24-I64 HydrophobicContact CG1-CG1 3.75Å
25N87.9Confident78.7Confident29 Ų2957.2 Ų57.216%0.15532%0.318CS..  trans-80.4140.4169.7-164.8-70.8000109.7A27 D28 V59 V61N25-A27 PolarHBondContact O-N 3.23Å; N25-A27 VanDerWaalsContact O-N 3.1Å; N25-A27 WeakPolarHBondContact OD1-CB 3.26Å; N25-A27 PolarHBondContact OD1-N 3.49Å; N25-D28 WeakPolarHBondContact CB-OD2 3.42Å; N25-D28 PolarHBondContact N-OD2 3.45Å; N25-D28 WeakPolarHBondContact O-CB 3.42Å; N25-D28 PolarHBondContact O-N 3.46Å; N25-V59 WeakPolarHBondContact CB-O 3.28Å; N25-V59 PolarHBondContact ND2-O 2.86Å; N25-V61 HydrophobicContact CB-CG2 4.18Å
26A83.5Confident78Confident58 Ų5851.3 Ų51.348%0.47929%0.291SS..Hα-helixtrans-56.9-28.2177.500000112.9D28 A30 N55A26-D28 VanDerWaalsContact C-N 3.32Å; A26-D28 PolarHBondContact O-N 2.85Å; A26-A30 PolarHBondContact O-N 3.12Å; A26-N55 HydrophobicContact CB-CB 4.25Å
27A83.5Confident77.7Confident58 Ų5854.5 Ų54.548%0.47931%0.311SS..Hα-helixtrans-68.3-26.3177.600000113.6N25 F29 V61N25-A27 PolarHBondContact O-N 3.23Å; N25-A27 VanDerWaalsContact O-N 3.1Å; N25-A27 WeakPolarHBondContact OD1-CB 3.26Å; N25-A27 PolarHBondContact OD1-N 3.49Å; A27-F29 VanDerWaalsContact C-N 3.28Å; A27-F29 PolarHBondContact O-N 2.97Å; A27-V61 HydrophobicContact CB-CG2 4.09Å
28D82.1Confident77.8Confident22 Ų2253.1 Ų53.112%0.11830%0.299CS..Hα-helixtrans-65.9-31.3-174.4-68.3-41000112.4K4 M6 N25 A26 V61 G62K4-D28 PolarHBondContact NZ-O 3.2Å; M6-D28 HydrophobicContact CE-CB 4.17Å; M6-D28 WeakPolarHBondContact CE-OD2 3.48Å; N25-D28 WeakPolarHBondContact CB-OD2 3.42Å; N25-D28 PolarHBondContact N-OD2 3.45Å; N25-D28 WeakPolarHBondContact O-CB 3.42Å; N25-D28 PolarHBondContact O-N 3.46Å; A26-D28 VanDerWaalsContact C-N 3.32Å; A26-D28 PolarHBondContact O-N 2.85Å; D28-V61 VanDerWaalsContact OD1-CG1 3.25Å; D28-V61 WeakPolarHBondContact OD1-CG1 3.4Å; D28-G62 PolarHBondContact OD1-N 3.35Å
29F78.5Confident77.9Confident21 Ų2152.3 Ų52.39%0.09230%0.295CS..Hα-helixtrans-120.47.5-177.1-59.4-82000113.6K4 M6 V24 A27 A31 D32 L36 V39 V84K4-F29 HydrophobicContact CD-CE1 4.29Å; M6-F29 HydrophobicContact SD-CE2 4.37Å; M6-F29 HydrophobicContact SD-CZ 4.09Å; V24-F29 HydrophobicContact CB-CD2 4.41Å; V24-F29 HydrophobicContact CB-CE2 4Å; V24-F29 HydrophobicContact CG1-CE2 3.94Å; V24-F29 HydrophobicContact CG2-CD2 3.87Å; V24-F29 HydrophobicContact CG2-CE2 3.88Å; A27-F29 VanDerWaalsContact C-N 3.28Å; A27-F29 PolarHBondContact O-N 2.97Å; F29-A31 PolarHBondContact O-N 2.99Å; F29-A31 VanDerWaalsContact O-N 3.12Å; F29-D32 PolarHBondContact O-N 3Å; F29-L36 HydrophobicContact CD1-CD1 3.87Å; F29-L36 HydrophobicContact CG-CD1 4.49Å; F29-V39 HydrophobicContact CZ-CG1 4.42Å; F29-V84 HydrophobicContact CZ-CG1 4.43Å
30A68.4Low78.1Confident73 Ų7352.1 Ų52.160%0.60329%0.292SS*.G310 helixtrans-57.5-29.8-179.500000113.4A26 D32A26-A30 PolarHBondContact O-N 3.12Å; A30-D32 VanDerWaalsContact C-N 3.32Å; A30-D32 PolarHBondContact O-N 3.38Å
31A61.6Low78.2Confident86 Ų8651.7 Ų51.771%0.71129%0.29SS*.G310 helixtrans-71.6-22.8178.900000113.8F29 R33F29-A31 PolarHBondContact O-N 2.99Å; F29-A31 VanDerWaalsContact O-N 3.12Å; A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 2.97Å
32D61Low78.1Confident39 Ų3953.8 Ų53.821%0.20930%0.298CS..G310 helixtrans-80.8-2.5-167.3-69.3-48.4000113.3M1 K4 F29 A30 I34 L36M1-D32 HydrophobicContact CE-CB 3.98Å; M1-D32 HydrophobicContact SD-CB 4.09Å; K4-D32 IonicContact NZ-OD2 2.68Å; K4-D32 PolarHBondContact NZ-OD2 2.96Å; F29-D32 PolarHBondContact O-N 3Å; A30-D32 VanDerWaalsContact C-N 3.32Å; A30-D32 PolarHBondContact O-N 3.38Å; D32-I34 WeakPolarHBondContact O-CG1 3.5Å; D32-I34 PolarHBondContact O-N 3.42Å; D32-L36 HydrophobicContact CB-CD1 4.22Å
33R55.5Low77.8Confident249 Ų24955.6 Ų55.694%0.9431%0.31SS*.  trans48.81.1177.1-75.8-170.1179.9-1781.2117A31A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 2.97Å
34I59.7Low77.2Confident112 Ų11256.4 Ų56.457%0.57432%0.32SS*.SBendtrans-113.8131.8-178.6-66.1167.3000105.8M1 D32 L36M1-I34 HydrophobicContact CE-CB 3.8Å; M1-I34 HydrophobicContact CE-CD1 3.45Å; M1-I34 VanDerWaalsContact CE-CD1 3.45Å; M1-I34 HydrophobicContact CE-CG1 4.11Å; M1-I34 HydrophobicContact CE-CG2 4.27Å; D32-I34 WeakPolarHBondContact O-CG1 3.5Å; D32-I34 PolarHBondContact O-N 3.42Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 3Å
35Q64.4Low76.3Confident187 Ų18763 Ų6387%0.87436%0.363SS*.  trans-6596.4170.4-78.6-176.3-9.100108.2T37Q35-T37 PolarHBondContact O-N 2.64Å
36L70.3Confident75.8Confident33 Ų3365.6 Ų65.617%0.17339%0.389CS..  trans-82106.8-174-140.3149.6000107.9M1 F29 D32 I34 H38 V39 I53 P86M1-L36 HydrophobicContact CE-CD1 4.01Å; M1-L36 HydrophobicContact SD-CD1 3.44Å; M1-L36 WeakPolarHBondContact SD-CD1 3.03Å; M1-L36 HydrophobicContact SD-CG 4.4Å; F29-L36 HydrophobicContact CD1-CD1 3.87Å; F29-L36 HydrophobicContact CG-CD1 4.49Å; D32-L36 HydrophobicContact CB-CD1 4.22Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 3Å; L36-H38 WeakPolarHBondContact CD2-O 3.32Å; L36-V39 HydrophobicContact CD2-CG1 3.85Å; L36-I53 HydrophobicContact CD2-CD1 4.4Å; L36-P86 HydrophobicContact CD1-CB 3.78Å; L36-P86 HydrophobicContact CD1-CG 3.66Å; L36-P86 HydrophobicContact CD2-CB 3.82Å; L36-P86 HydrophobicContact CD2-CG 4.17Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.41Å
37T77.2Confident75.5Confident79 Ų7967.3 Ų67.349%0.48539%0.387SS..  trans-92.8-26.3-175.452.30000113.1Q35 S52 I53Q35-T37 PolarHBondContact O-N 2.64Å; T37-S52 WeakPolarHBondContact O-CA 3.28Å; T37-I53 PolarHBondContact O-N 3.17Å
38H85.8Confident75.6Confident4 Ų471.7 Ų71.72%0.01939%0.391CS..EExtended strand (participates in β ladder)trans-136.8146.7-177.5-43.1-73.9000112.6L36 V50 F51 S52 Y87L36-H38 WeakPolarHBondContact CD2-O 3.32Å; H38-V50 HydrophobicContact CB-CG1 4.42Å; H38-F51 CarbonylContact C-O 3.53Å; H38-F51 VanDerWaalsContact CA-O 3.27Å; H38-F51 WeakPolarHBondContact CA-O 3.5Å; H38-S52 PolarHBondContact CE1-OG 3.44Å; H38-S52 VanDerWaalsContact CE1-OG 3.3Å; H38-S52 PolarHBondContact ND1-OG 3.42Å; H38-Y87 HydrophobicContact CB-CD1 4.49Å; H38-Y87 PolarHBondContact O-N 3.21Å
39V88.3Confident75.9Confident0 Ų071.9 Ų71.90%039%0.39CS..EExtended strand (participates in β ladder)trans-126.5151.6169.3-790000110.9F29 L36 I41 V50 F51 I53 V84 Q85F29-V39 HydrophobicContact CZ-CG1 4.42Å; L36-V39 HydrophobicContact CD2-CG1 3.85Å; V39-I41 HydrophobicContact CG2-CG1 4.39Å; V39-V50 CarbonylContact O-C 3.56Å; V39-V50 WeakPolarHBondContact O-CA 3.5Å; V39-F51 HydrophobicContact CG2-CB 4.46Å; V39-F51 PolarHBondContact N-O 2.84Å; V39-F51 PolarHBondContact O-N 3.39Å; V39-I53 HydrophobicContact CB-CD1 3.65Å; V39-I53 HydrophobicContact CB-CG1 4.44Å; V39-I53 HydrophobicContact CG1-CD1 3.15Å; V39-I53 HydrophobicContact CG1-CG1 4.38Å; V39-I53 HydrophobicContact CG2-CD1 3.29Å; V39-I53 HydrophobicContact CG2-CG1 3.59Å; V39-V84 HydrophobicContact CB-CG1 3.67Å; V39-V84 HydrophobicContact CG1-CG1 3.59Å; V39-V84 HydrophobicContact CG2-CG1 3.9Å; V39-Q85 CarbonylContact C-O 3.5Å; V39-Q85 WeakPolarHBondContact CA-O 3.49Å
40E87.7Confident76.3Confident23 Ų2371.7 Ų71.711%0.10739%0.391CS..EExtended strand (participates in β ladder)trans-103134.1166.2-178.7177.2-154.300109R48 F49 V50 Q85 Y87E40-R48 HydrophobicContact CG-CB 4.35Å; E40-R48 WeakPolarHBondContact OE1-CB 3.36Å; E40-R48 VanDerWaalsContact OE1-CD 3.29Å; E40-R48 WeakPolarHBondContact OE1-CD 3.45Å; E40-F49 CarbonylContact C-O 3.5Å; E40-F49 WeakPolarHBondContact CA-O 3.31Å; E40-V50 HydrophobicContact CB-CG2 4.42Å; E40-V50 HydrophobicContact CG-CG2 4.44Å; E40-Q85 HydrophobicContact CB-CG 3.89Å; E40-Q85 HydrophobicContact CG-CG 4.44Å; E40-Q85 PolarHBondContact N-O 3.34Å; E40-Q85 PolarHBondContact O-N 3.48Å; E40-Q85 PolarHBondContact OE2-NE2 3.4Å; E40-Y87 HydrophobicContact CB-CD2 4Å; E40-Y87 HydrophobicContact CB-CG 4.26Å
41I89.1Confident77.3Confident0 Ų068.2 Ų68.20%036%0.362CS..EExtended strand (participates in β ladder)trans-114.2131.2-179.4-56.4-178.9000108.2V39 T43 R48 F49 F51 I64 F66 I82 E83 V84V39-I41 HydrophobicContact CG2-CG1 4.39Å; I41-T43 HydrophobicContact CG2-CG2 4.24Å; I41-R48 WeakPolarHBondContact O-CA 3.3Å; I41-F49 PolarHBondContact N-O 3.03Å; I41-F49 PolarHBondContact O-N 3.49Å; I41-F51 HydrophobicContact CD1-CD2 3.42Å; I41-F51 VanDerWaalsContact CD1-CD2 3.42Å; I41-F51 HydrophobicContact CD1-CE2 3.73Å; I41-F51 HydrophobicContact CD1-CG 4.4Å; I41-F51 HydrophobicContact CG1-CD2 3.99Å; I41-F51 HydrophobicContact CG1-CE2 4.43Å; I41-I64 HydrophobicContact CD1-CD1 4.49Å; I41-F66 HydrophobicContact CD1-CE1 3.66Å; I41-F66 HydrophobicContact CD1-CE2 4.23Å; I41-F66 HydrophobicContact CD1-CZ 3.2Å; I41-I82 HydrophobicContact CD1-CD1 4.07Å; I41-I82 HydrophobicContact CG2-CB 4Å; I41-I82 HydrophobicContact CG2-CD1 3.61Å; I41-I82 HydrophobicContact CG2-CG1 4.32Å; I41-I82 HydrophobicContact CG2-CG2 4.41Å; I41-E83 WeakPolarHBondContact CA-O 3.13Å; I41-V84 HydrophobicContact CG1-CG2 4.4Å
42K85.9Confident78.5Confident47 Ų4764.4 Ų64.420%0.20433%0.331CS..EExtended strand (participates in β ladder)trans-103.9117.6171.6-60.2179-164.2144.50109.4H47 R48 E83 Q85K42-H47 WeakPolarHBondContact CA-O 3.28Å; K42-R48 HydrophobicContact CG-CG 4.2Å; K42-E83 HydrophobicContact CB-CB 4.36Å; K42-E83 PolarHBondContact N-O 2.9Å; K42-E83 IonicContact NZ-OE1 3.37Å; K42-E83 PolarHBondContact NZ-OE1 2.92Å; K42-E83 IonicContact NZ-OE2 3.65Å; K42-Q85 VanDerWaalsContact CE-NE2 3.34Å
43T82Confident79.9Confident39 Ų3963.3 Ų63.324%0.23932%0.324CS..EExtended strand (participates in β ladder)trans-98.9-13.9173.160.50000112.4I41 H47 F49 L76 I82I41-T43 HydrophobicContact CG2-CG2 4.24Å; T43-H47 PolarHBondContact N-O 3.42Å; T43-H47 VanDerWaalsContact N-O 3.12Å; T43-H47 VanDerWaalsContact OG1-CB 3.23Å; T43-H47 WeakPolarHBondContact OG1-CB 3.45Å; T43-F49 HydrophobicContact CG2-CD2 4.26Å; T43-F49 HydrophobicContact CG2-CE2 4.29Å; T43-L76 HydrophobicContact CG2-CD2 3.34Å; T43-L76 HydrophobicContact CG2-CG 4.33Å; T43-I82 HydrophobicContact CG2-CG2 4.48Å
44G78.1Confident81.4Confident25 Ų2555 Ų5526%0.25830%0.298SS..EExtended strand (participates in β ladder)trans-170.1-178.3174.100000111.1A46 H47G44-A46 PolarHBondContact O-N 2.99Å; G44-H47 PolarHBondContact O-N 3.35Å
45P73.1Confident82.7Confident138 Ų13854.4 Ų54.490%0.89630%0.296SS*.THydrogen-bonded Turntrans-59.6-32.2-174.6-22.331.8000113.9
46A75.5Confident83.9Confident85 Ų8548.5 Ų48.570%0.70227%0.268SS*.THydrogen-bonded Turntrans-108.5-6.5-176.800000114G44G44-A46 PolarHBondContact O-N 2.99Å
47H79.2Confident84.5Confident94 Ų9452.5 Ų52.544%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-110.3101.7-171.5-63.9-60.7000110.6K42 T43 G44 F49K42-H47 WeakPolarHBondContact CA-O 3.28Å; T43-H47 PolarHBondContact N-O 3.42Å; T43-H47 VanDerWaalsContact N-O 3.12Å; T43-H47 VanDerWaalsContact OG1-CB 3.23Å; T43-H47 WeakPolarHBondContact OG1-CB 3.45Å; G44-H47 PolarHBondContact O-N 3.35Å; H47-F49 HydrophobicContact CB-CE2 3.89Å; H47-F49 HydrophobicContact CB-CZ 4.34Å
48R84.9Confident85Confident150 Ų15052.3 Ų52.357%0.56630%0.299SS*.EExtended strand (participates in β ladder)trans-118.5127.3178.5-67.3174-175.2-161.47.5108.8E40 I41 K42E40-R48 HydrophobicContact CG-CB 4.35Å; E40-R48 WeakPolarHBondContact OE1-CB 3.36Å; E40-R48 VanDerWaalsContact OE1-CD 3.29Å; E40-R48 WeakPolarHBondContact OE1-CD 3.45Å; I41-R48 WeakPolarHBondContact O-CA 3.3Å; K42-R48 HydrophobicContact CG-CG 4.2Å
49F87.1Confident85.1Confident25 Ų2552.4 Ų52.411%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-128.3133.9-179.3-59.5-78.8000109.7E40 I41 T43 H47 F51 W73 A74E40-F49 CarbonylContact C-O 3.5Å; E40-F49 WeakPolarHBondContact CA-O 3.31Å; I41-F49 PolarHBondContact N-O 3.03Å; I41-F49 PolarHBondContact O-N 3.49Å; T43-F49 HydrophobicContact CG2-CD2 4.26Å; T43-F49 HydrophobicContact CG2-CE2 4.29Å; H47-F49 HydrophobicContact CB-CE2 3.89Å; H47-F49 HydrophobicContact CB-CZ 4.34Å; F49-F51 HydrophobicContact CB-CD2 4.24Å; F49-F51 HydrophobicContact CB-CE2 3.58Å; F49-F51 HydrophobicContact CB-CZ 4.25Å; F49-W73 HydrophobicContact CB-CH2 4.26Å; F49-W73 HydrophobicContact CB-CZ3 4.15Å; F49-W73 HydrophobicContact CD1-CD2 4.24Å; F49-W73 AromaticContact CD1-CE2 3.99Å; F49-W73 HydrophobicContact CD1-CE3 4.19Å; F49-W73 AromaticContact CD1-CH2 3.72Å; F49-W73 HydrophobicContact CD1-CH2 3.72Å; F49-W73 AromaticContact CD1-CZ2 3.74Å; F49-W73 HydrophobicContact CD1-CZ2 3.74Å; F49-W73 AromaticContact CD1-CZ3 3.95Å; F49-W73 HydrophobicContact CD1-CZ3 3.95Å; F49-W73 HydrophobicContact CE1-CD2 4.46Å; F49-W73 HydrophobicContact CE1-CZ2 4.27Å; F49-W73 HydrophobicContact CG-CH2 4.47Å; F49-W73 HydrophobicContact CG-CZ3 4.44Å; F49-A74 HydrophobicContact CB-CB 4.47Å; F49-A74 HydrophobicContact CD1-CB 4.31Å; F49-A74 HydrophobicContact CD2-CB 3.74Å; F49-A74 HydrophobicContact CE2-CB 3.95Å; F49-A74 HydrophobicContact CG-CB 3.93Å; F49-A74 HydrophobicContact CZ-CB 4.34Å
50V87.5Confident85.1Confident17 Ų1755.8 Ų55.810%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-101.3130.2177.9-177.20000109.4H38 V39 E40 Y87 M89 A133H38-V50 HydrophobicContact CB-CG1 4.42Å; V39-V50 CarbonylContact O-C 3.56Å; V39-V50 WeakPolarHBondContact O-CA 3.5Å; E40-V50 HydrophobicContact CB-CG2 4.42Å; E40-V50 HydrophobicContact CG-CG2 4.44Å; V50-Y87 HydrophobicContact CG1-CD1 3.72Å; V50-Y87 HydrophobicContact CG1-CE1 4.14Å; V50-Y87 HydrophobicContact CG1-CG 4.21Å; V50-Y87 HydrophobicContact CG2-CD1 4.3Å; V50-Y87 HydrophobicContact CG2-CD2 4.36Å; V50-Y87 HydrophobicContact CG2-CE1 4.32Å; V50-Y87 HydrophobicContact CG2-CE2 4.37Å; V50-Y87 HydrophobicContact CG2-CG 4.33Å; V50-M89 HydrophobicContact CG1-CE 3.94Å; V50-A133 HydrophobicContact CG1-CB 4.15Å
51F88.7Confident85.1Confident0 Ų059.2 Ų59.20%035%0.345CS..EExtended strand (participates in β ladder)trans-127.4141.7178.6-69.3-82.8000111.2A22 H38 V39 I41 F49 F66 Q70 W73 A74A22-F51 HydrophobicContact CB-CB 4.18Å; H38-F51 CarbonylContact C-O 3.53Å; H38-F51 VanDerWaalsContact CA-O 3.27Å; H38-F51 WeakPolarHBondContact CA-O 3.5Å; V39-F51 HydrophobicContact CG2-CB 4.46Å; V39-F51 PolarHBondContact N-O 2.84Å; V39-F51 PolarHBondContact O-N 3.39Å; I41-F51 HydrophobicContact CD1-CD2 3.42Å; I41-F51 VanDerWaalsContact CD1-CD2 3.42Å; I41-F51 HydrophobicContact CD1-CE2 3.73Å; I41-F51 HydrophobicContact CD1-CG 4.4Å; I41-F51 HydrophobicContact CG1-CD2 3.99Å; I41-F51 HydrophobicContact CG1-CE2 4.43Å; F49-F51 HydrophobicContact CB-CD2 4.24Å; F49-F51 HydrophobicContact CB-CE2 3.58Å; F49-F51 HydrophobicContact CB-CZ 4.25Å; F51-F66 HydrophobicContact CD1-CE1 4.33Å; F51-F66 HydrophobicContact CD2-CE1 4.11Å; F51-F66 HydrophobicContact CE1-CD1 4.43Å; F51-F66 HydrophobicContact CE1-CE1 4.4Å; F51-F66 HydrophobicContact CE2-CE1 4.15Å; F51-F66 HydrophobicContact CG-CE1 4.18Å; F51-F66 HydrophobicContact CZ-CE1 4.29Å; F51-Q70 HydrophobicContact CD1-CG 4.49Å; F51-Q70 HydrophobicContact CE1-CB 3.95Å; F51-Q70 HydrophobicContact CE1-CG 3.91Å; F51-W73 HydrophobicContact CD1-CZ3 4.49Å; F51-W73 AromaticContact CE1-CE3 3.9Å; F51-W73 HydrophobicContact CE1-CE3 3.9Å; F51-W73 AromaticContact CE1-CZ3 3.71Å; F51-W73 HydrophobicContact CE1-CZ3 3.71Å; F51-W73 HydrophobicContact CE2-CZ3 4.23Å; F51-W73 AromaticContact CZ-CE3 3.71Å; F51-W73 HydrophobicContact CZ-CE3 3.71Å; F51-W73 AromaticContact CZ-CZ3 3.57Å; F51-W73 HydrophobicContact CZ-CZ3 3.57Å; F51-A74 HydrophobicContact CE2-CB 4.21Å; F51-A74 HydrophobicContact CZ-CB 3.87Å
52S88.4Confident85.1Confident7 Ų760.7 Ų60.75%0.04936%0.361CS..EExtended strand (participates in β ladder)trans-75.4143.2162.8-74.50000110.6C21 A22 T37 H38 R132 A133C21-S52 CarbonylContact C-O 3.47Å; C21-S52 VanDerWaalsContact CA-O 3.27Å; C21-S52 WeakPolarHBondContact CA-O 3.48Å; A22-S52 PolarHBondContact N-O 3.37Å; T37-S52 WeakPolarHBondContact O-CA 3.28Å; H38-S52 PolarHBondContact CE1-OG 3.44Å; H38-S52 VanDerWaalsContact CE1-OG 3.3Å; H38-S52 PolarHBondContact ND1-OG 3.42Å; S52-R132 WeakPolarHBondContact OG-CA 3.25Å; S52-A133 PolarHBondContact OG-N 3.41Å
53I88.7Confident85.4Confident15 Ų1559.5 Ų59.58%0.07736%0.357CS..EExtended strand (participates in β ladder)trans-112.9144.3-178.1-61.3161.2000111.7A22 V24 L36 T37 V39A22-I53 CarbonylContact O-C 3.52Å; A22-I53 VanDerWaalsContact O-CA 3.25Å; A22-I53 WeakPolarHBondContact O-CA 3.4Å; V24-I53 HydrophobicContact CB-CG2 4.09Å; V24-I53 HydrophobicContact CG1-CG2 3.75Å; V24-I53 HydrophobicContact CG2-CG2 3.31Å; L36-I53 HydrophobicContact CD2-CD1 4.4Å; T37-I53 PolarHBondContact O-N 3.17Å; V39-I53 HydrophobicContact CB-CD1 3.65Å; V39-I53 HydrophobicContact CB-CG1 4.44Å; V39-I53 HydrophobicContact CG1-CD1 3.15Å; V39-I53 HydrophobicContact CG1-CG1 4.38Å; V39-I53 HydrophobicContact CG2-CD1 3.29Å; V39-I53 HydrophobicContact CG2-CG1 3.59Å
54L87.7Confident85.8Confident74 Ų7457.6 Ų57.639%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-128.1144.8164.1-69.9173.1000110.6C21 A22 F23 V24C21-L54 HydrophobicContact CB-CB 4.28Å; C21-L54 HydrophobicContact CB-CD1 3.82Å; C21-L54 HydrophobicContact CB-CG 3.87Å; A22-L54 PolarHBondContact O-N 2.95Å; F23-L54 VanDerWaalsContact CA-O 3.26Å; F23-L54 WeakPolarHBondContact CA-O 3.47Å; F23-L54 HydrophobicContact CD1-CB 3.87Å; F23-L54 HydrophobicContact CE1-CB 3.8Å; F23-L54 HydrophobicContact CE1-CD1 4.19Å; F23-L54 HydrophobicContact CZ-CD1 4.45Å; V24-L54 PolarHBondContact N-O 3.38Å; V24-L54 VanDerWaalsContact N-O 3.09Å
55N88.1Confident86.5Confident101 Ų10156.5 Ų56.554%0.5433%0.334SS..EExtended strand (participates in β ladder)trans-82.1134.6175.8-63.8-33.7000109.9V24 A26V24-N55 VanDerWaalsContact CG2-OD1 3.29Å; V24-N55 WeakPolarHBondContact CG2-OD1 3.45Å; V24-N55 WeakPolarHBondContact O-CA 3.43Å; A26-N55 HydrophobicContact CB-CB 4.25Å
56H87.7Confident87.4Confident62 Ų6249.9 Ų49.929%0.28729%0.291SS..  trans-141.9133.6173.3-166.4-90.8000111.9M16 F23 V24 S58 V59M16-H56 HydrophobicContact CE-CB 3.8Å; F23-H56 HydrophobicContact CB-CB 4.39Å; F23-H56 HydrophobicContact CD1-CB 3.76Å; F23-H56 HydrophobicContact CG-CB 4.45Å; V24-H56 PolarHBondContact O-N 2.69Å; H56-S58 PolarHBondContact CE1-OG 3.46Å; H56-S58 VanDerWaalsContact CE1-OG 3.26Å; H56-S58 WeakPolarHBondContact ND1-CB 3.48Å; H56-S58 PolarHBondContact ND1-N 3.11Å; H56-S58 PolarHBondContact ND1-OG 3.26Å; H56-S58 PolarHBondContact O-N 3.2Å; H56-V59 HydrophobicContact CB-CG2 4.39Å; H56-V59 PolarHBondContact O-N 2.93Å
57P84.9Confident88.1Confident117 Ų11746.1 Ų46.176%0.7626%0.259SS*.THydrogen-bonded Turntrans-66.6-19.5-17425.8-35.2000114.1V59P57-V59 VanDerWaalsContact C-N 3.27Å; P57-V59 PolarHBondContact O-N 2.93Å
58S86.3Confident88.5Confident76 Ų7645.6 Ų45.653%0.53126%0.258SS..THydrogen-bonded Turntrans-77.6-7.4178.477.60000114.5H56H56-S58 PolarHBondContact CE1-OG 3.46Å; H56-S58 VanDerWaalsContact CE1-OG 3.26Å; H56-S58 WeakPolarHBondContact ND1-CB 3.48Å; H56-S58 PolarHBondContact ND1-N 3.11Å; H56-S58 PolarHBondContact ND1-OG 3.26Å; H56-S58 PolarHBondContact O-N 3.2Å
59V87.2Confident88.6Confident6 Ų638.9 Ų38.94%0.03623%0.234CC..SBendtrans-90.9128.1179.3-177.30000108.7F23 N25 H56 P57 T63 A65F23-V59 HydrophobicContact CB-CG2 3.82Å; N25-V59 WeakPolarHBondContact CB-O 3.28Å; N25-V59 PolarHBondContact ND2-O 2.86Å; H56-V59 HydrophobicContact CB-CG2 4.39Å; H56-V59 PolarHBondContact O-N 2.93Å; P57-V59 VanDerWaalsContact C-N 3.27Å; P57-V59 PolarHBondContact O-N 2.93Å; V59-T63 VanDerWaalsContact CG1-O 3.22Å; V59-T63 WeakPolarHBondContact CG1-O 3.31Å; V59-T63 WeakPolarHBondContact CG1-OG1 3.31Å; V59-A65 HydrophobicContact CG2-CB 3.97Å
60S88.7Confident88.6Confident70 Ų7037.7 Ų37.749%0.4923%0.229SC..PPolyproline II helixtrans-66.8144.817633.70000111.7G62 T63S60-G62 PolarHBondContact O-N 3.4Å; S60-T63 PolarHBondContact N-OG1 3.17Å; S60-T63 PolarHBondContact O-N 3.36Å; S60-T63 VanDerWaalsContact O-N 3.08Å; S60-T63 PolarHBondContact O-OG1 3.16Å; S60-T63 VanDerWaalsContact OG-CG2 3.28Å; S60-T63 WeakPolarHBondContact OG-CG2 3.37Å; S60-T63 PolarHBondContact OG-OG1 3.21Å
61V88.9Confident88.7Confident96 Ų9639.4 Ų39.458%0.58223%0.233SC*.THydrogen-bonded Turntrans-56.3135.8172.2-176.20000109.5N25 A27 D28 T63N25-V61 HydrophobicContact CB-CG2 4.18Å; A27-V61 HydrophobicContact CB-CG2 4.09Å; D28-V61 VanDerWaalsContact OD1-CG1 3.25Å; D28-V61 WeakPolarHBondContact OD1-CG1 3.4Å; V61-T63 VanDerWaalsContact C-N 3.31Å
62G88.2Confident88.6Confident31 Ų3146 Ų4632%0.3226%0.258SS..THydrogen-bonded Turntrans79.76.5-175.400000114.9M6 R7 D28 S60M6-G62 WeakPolarHBondContact CA-O 3.47Å; R7-G62 PolarHBondContact N-O 2.88Å; D28-G62 PolarHBondContact OD1-N 3.35Å; S60-G62 PolarHBondContact O-N 3.4Å
63T91.6Very high88.6Confident21 Ų2147.6 Ų47.613%0.12926%0.263CS..EExtended strand (participates in β ladder)trans-123.2149177.168.50000111.8M6 R7 V59 S60 V61M6-T63 WeakPolarHBondContact CE-O 3.36Å; R7-T63 HydrophobicContact CB-CG2 4.29Å; R7-T63 CarbonylContact O-C 3.52Å; R7-T63 WeakPolarHBondContact O-CA 3.42Å; R7-T63 WeakPolarHBondContact O-CB 3.38Å; V59-T63 VanDerWaalsContact CG1-O 3.22Å; V59-T63 WeakPolarHBondContact CG1-O 3.31Å; V59-T63 WeakPolarHBondContact CG1-OG1 3.31Å; S60-T63 PolarHBondContact N-OG1 3.17Å; S60-T63 PolarHBondContact O-N 3.36Å; S60-T63 VanDerWaalsContact O-N 3.08Å; S60-T63 PolarHBondContact O-OG1 3.16Å; S60-T63 VanDerWaalsContact OG-CG2 3.28Å; S60-T63 WeakPolarHBondContact OG-CG2 3.37Å; S60-T63 PolarHBondContact OG-OG1 3.21Å; V61-T63 VanDerWaalsContact C-N 3.31Å
64I91.8Very high88.5Confident0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-126.3124177.1-177.4162.9000109.4M6 R7 T8 T9 A22 F23 V24 I41 F66 I82M6-I64 HydrophobicContact CB-CG2 4Å; M6-I64 HydrophobicContact CE-CB 4.15Å; M6-I64 HydrophobicContact SD-CB 4.33Å; R7-I64 PolarHBondContact O-N 2.95Å; T8-I64 WeakPolarHBondContact CA-O 3.43Å; T9-I64 PolarHBondContact N-O 3.39Å; A22-I64 HydrophobicContact CB-CD1 3.86Å; A22-I64 HydrophobicContact CB-CG1 3.99Å; F23-I64 CarbonylContact O-C 3.59Å; F23-I64 WeakPolarHBondContact O-CA 3.47Å; V24-I64 HydrophobicContact CG1-CB 4.19Å; V24-I64 HydrophobicContact CG1-CD1 3.69Å; V24-I64 HydrophobicContact CG1-CG1 3.75Å; I41-I64 HydrophobicContact CD1-CD1 4.49Å; I64-F66 HydrophobicContact CB-CE2 4.24Å; I64-F66 HydrophobicContact CB-CZ 4.39Å; I64-F66 HydrophobicContact CD1-CE1 4.34Å; I64-F66 HydrophobicContact CD1-CE2 4.35Å; I64-F66 HydrophobicContact CD1-CZ 3.67Å; I64-F66 HydrophobicContact CG1-CE1 4.32Å; I64-F66 HydrophobicContact CG1-CE2 3.88Å; I64-F66 HydrophobicContact CG1-CZ 3.61Å; I64-F66 HydrophobicContact CG2-CE2 3.57Å; I64-F66 HydrophobicContact CG2-CZ 3.97Å; I64-I82 HydrophobicContact CG2-CD1 3.82Å; I64-I82 HydrophobicContact CG2-CG1 4.49Å
65A92.5Very high88.4Confident1 Ų150.2 Ų50.21%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-94.4127.2-17400000111.2T9 V11 F23 V59T9-A65 HydrophobicContact CG2-CB 3.57Å; T9-A65 WeakPolarHBondContact O-CA 3.39Å; V11-A65 HydrophobicContact CG2-CB 4.02Å; F23-A65 HydrophobicContact CB-CB 4.19Å; F23-A65 PolarHBondContact N-O 3.3Å; F23-A65 PolarHBondContact O-N 3.25Å; V59-A65 HydrophobicContact CG2-CB 3.97Å
66F91.6Very high88.4Confident0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-117.3146177.3-64.8-76.5000112.1T8 T9 V11 A22 I41 F51 I64 Q70 R71 L76 I82T8-F66 HydrophobicContact CG2-CD2 4.22Å; T8-F66 HydrophobicContact CG2-CE2 4.03Å; T9-F66 PolarHBondContact O-N 3.08Å; V11-F66 VanDerWaalsContact CG2-C 3.44Å; V11-F66 PolarHBondContact N-O 3.45Å; A22-F66 HydrophobicContact CB-CD1 3.93Å; A22-F66 HydrophobicContact CB-CE1 3.45Å; A22-F66 VanDerWaalsContact CB-CE1 3.45Å; A22-F66 HydrophobicContact CB-CZ 4.14Å; I41-F66 HydrophobicContact CD1-CE1 3.66Å; I41-F66 HydrophobicContact CD1-CE2 4.23Å; I41-F66 HydrophobicContact CD1-CZ 3.2Å; F51-F66 HydrophobicContact CD1-CE1 4.33Å; F51-F66 HydrophobicContact CD2-CE1 4.11Å; F51-F66 HydrophobicContact CE1-CD1 4.43Å; F51-F66 HydrophobicContact CE1-CE1 4.4Å; F51-F66 HydrophobicContact CE2-CE1 4.15Å; F51-F66 HydrophobicContact CG-CE1 4.18Å; F51-F66 HydrophobicContact CZ-CE1 4.29Å; I64-F66 HydrophobicContact CB-CE2 4.24Å; I64-F66 HydrophobicContact CB-CZ 4.39Å; I64-F66 HydrophobicContact CD1-CE1 4.34Å; I64-F66 HydrophobicContact CD1-CE2 4.35Å; I64-F66 HydrophobicContact CD1-CZ 3.67Å; I64-F66 HydrophobicContact CG1-CE1 4.32Å; I64-F66 HydrophobicContact CG1-CE2 3.88Å; I64-F66 HydrophobicContact CG1-CZ 3.61Å; I64-F66 HydrophobicContact CG2-CE2 3.57Å; I64-F66 HydrophobicContact CG2-CZ 3.97Å; F66-Q70 HydrophobicContact CB-CB 4.25Å; F66-Q70 HydrophobicContact CD1-CB 4.24Å; F66-R71 HydrophobicContact CB-CG 3.44Å; F66-R71 VanDerWaalsContact CB-CG 3.44Å; F66-R71 HydrophobicContact CG-CG 4.32Å; F66-L76 HydrophobicContact CD1-CD1 4.38Å; F66-L76 HydrophobicContact CD2-CD1 3.67Å; F66-L76 HydrophobicContact CE1-CD1 4.39Å; F66-L76 HydrophobicContact CE2-CD1 3.68Å; F66-L76 HydrophobicContact CG-CD1 4.06Å; F66-L76 HydrophobicContact CZ-CD1 4.1Å; F66-I82 HydrophobicContact CE2-CD1 3.9Å; F66-I82 HydrophobicContact CZ-CD1 4.21Å
67S90.2Very high88.5Confident5 Ų546.7 Ų46.74%0.03526%0.263CS..  trans-70.2162.6169.775.60000110.8Q70 R71S67-Q70 PolarHBondContact O-N 2.58Å; S67-Q70 VanDerWaalsContact OG-CG 3.27Å; S67-Q70 WeakPolarHBondContact OG-CG 3.45Å; S67-Q70 PolarHBondContact OG-N 3.2Å; S67-Q70 PolarHBondContact OG-OE1 2.94Å; S67-R71 WeakPolarHBondContact O-CG 3.21Å; S67-R71 PolarHBondContact O-N 3.17Å
68M87.4Confident88.8Confident84 Ų8445 Ų4541%0.41425%0.246SC..Hα-helixtrans-60.8-43.1178.4-175.5-95.9-105.900113.4Q70 R71 R72M68-Q70 PolarHBondContact O-N 3.34Å; M68-R71 PolarHBondContact O-N 3.02Å; M68-R72 PolarHBondContact O-N 2.9Å; M68-R72 PolarHBondContact SD-NH2 2.96Å
69P86.4Confident88.9Confident8 Ų847.1 Ų47.15%0.05225%0.252CS..Hα-helixtrans-58-45.1173-23.831.2000113.6R71 R72 W73 Y106 E139 V141P69-R71 PolarHBondContact O-N 2.87Å; P69-R72 PolarHBondContact O-N 3.16Å; P69-W73 WeakPolarHBondContact O-CB 3.39Å; P69-W73 PolarHBondContact O-N 2.88Å; P69-Y106 HydrophobicContact CG-CE2 4.48Å; P69-E139 HydrophobicContact CB-CG 4.4Å; P69-V141 HydrophobicContact CB-CG2 4.3Å; P69-V141 HydrophobicContact CG-CG2 3.44Å; P69-V141 VanDerWaalsContact CG-CG2 3.44Å
70Q88.9Confident89Confident1 Ų149.6 Ų49.61%0.00526%0.263CS..Hα-helixtrans-62.5-43.9178.8-70.8170-22.900111.9N20 C21 F51 F66 S67 M68 R72 W73 A74N20-Q70 PolarHBondContact O-NE2 3.37Å; N20-Q70 VanDerWaalsContact O-NE2 3.13Å; N20-Q70 PolarHBondContact OD1-NE2 3.36Å; C21-Q70 PolarHBondContact O-NE2 3.17Å; F51-Q70 HydrophobicContact CD1-CG 4.49Å; F51-Q70 HydrophobicContact CE1-CB 3.95Å; F51-Q70 HydrophobicContact CE1-CG 3.91Å; F66-Q70 HydrophobicContact CB-CB 4.25Å; F66-Q70 HydrophobicContact CD1-CB 4.24Å; S67-Q70 PolarHBondContact O-N 2.58Å; S67-Q70 VanDerWaalsContact OG-CG 3.27Å; S67-Q70 WeakPolarHBondContact OG-CG 3.45Å; S67-Q70 PolarHBondContact OG-N 3.2Å; S67-Q70 PolarHBondContact OG-OE1 2.94Å; M68-Q70 PolarHBondContact O-N 3.34Å; Q70-R72 VanDerWaalsContact C-N 3.34Å; Q70-R72 PolarHBondContact O-N 3.48Å; Q70-W73 PolarHBondContact O-N 3.18Å; Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 3.14Å
71R89.2Confident89.1Confident52 Ų5251.3 Ų51.320%0.19626%0.264CS..Hα-helixtrans-63.8-40176.7-72.3-172.1-72.7138.5-1.9112.1F66 S67 M68 P69 Q75 L76 L78F66-R71 HydrophobicContact CB-CG 3.44Å; F66-R71 VanDerWaalsContact CB-CG 3.44Å; F66-R71 HydrophobicContact CG-CG 4.32Å; S67-R71 WeakPolarHBondContact O-CG 3.21Å; S67-R71 PolarHBondContact O-N 3.17Å; M68-R71 PolarHBondContact O-N 3.02Å; P69-R71 PolarHBondContact O-N 2.87Å; R71-Q75 CarbonylContact O-C 3.57Å; R71-Q75 VanDerWaalsContact O-CA 3.28Å; R71-Q75 WeakPolarHBondContact O-CA 3.33Å; R71-Q75 PolarHBondContact O-N 2.71Å; R71-L76 HydrophobicContact CB-CB 4.2Å; R71-L76 HydrophobicContact CG-CB 4.08Å; R71-L76 PolarHBondContact O-N 2.89Å; R71-L78 VanDerWaalsContact NH1-CD2 3.34Å
72R86.6Confident89.2Confident138 Ų13846.9 Ų46.952%0.52124%0.236SC..Hα-helixtrans-64.7-45.6176.7-173.3-175-66.7161.9-4.5111.2M68 P69 Q70 Q75 E139M68-R72 PolarHBondContact O-N 2.9Å; M68-R72 PolarHBondContact SD-NH2 2.96Å; P69-R72 PolarHBondContact O-N 3.16Å; Q70-R72 VanDerWaalsContact C-N 3.34Å; Q70-R72 PolarHBondContact O-N 3.48Å; R72-Q75 PolarHBondContact O-N 2.89Å; R72-E139 IonicContact NH1-OE1 3.3Å
73W87.1Confident89.3Confident42 Ų4247.3 Ų47.316%0.15923%0.23CC..Hα-helixtrans-63.1-47.4178.9175.760.8000112.3F49 F51 P69 Q70 Q75 T135 G137 Q138F49-W73 HydrophobicContact CB-CH2 4.26Å; F49-W73 HydrophobicContact CB-CZ3 4.15Å; F49-W73 HydrophobicContact CD1-CD2 4.24Å; F49-W73 AromaticContact CD1-CE2 3.99Å; F49-W73 HydrophobicContact CD1-CE3 4.19Å; F49-W73 AromaticContact CD1-CH2 3.72Å; F49-W73 HydrophobicContact CD1-CH2 3.72Å; F49-W73 AromaticContact CD1-CZ2 3.74Å; F49-W73 HydrophobicContact CD1-CZ2 3.74Å; F49-W73 AromaticContact CD1-CZ3 3.95Å; F49-W73 HydrophobicContact CD1-CZ3 3.95Å; F49-W73 HydrophobicContact CE1-CD2 4.46Å; F49-W73 HydrophobicContact CE1-CZ2 4.27Å; F49-W73 HydrophobicContact CG-CH2 4.47Å; F49-W73 HydrophobicContact CG-CZ3 4.44Å; F51-W73 HydrophobicContact CD1-CZ3 4.49Å; F51-W73 AromaticContact CE1-CE3 3.9Å; F51-W73 HydrophobicContact CE1-CE3 3.9Å; F51-W73 AromaticContact CE1-CZ3 3.71Å; F51-W73 HydrophobicContact CE1-CZ3 3.71Å; F51-W73 HydrophobicContact CE2-CZ3 4.23Å; F51-W73 AromaticContact CZ-CE3 3.71Å; F51-W73 HydrophobicContact CZ-CE3 3.71Å; F51-W73 AromaticContact CZ-CZ3 3.57Å; F51-W73 HydrophobicContact CZ-CZ3 3.57Å; P69-W73 WeakPolarHBondContact O-CB 3.39Å; P69-W73 PolarHBondContact O-N 2.88Å; Q70-W73 PolarHBondContact O-N 3.18Å; W73-Q75 VanDerWaalsContact C-N 3.3Å; W73-Q75 PolarHBondContact O-N 3.47Å; W73-T135 HydrophobicContact CH2-CG2 4.23Å; W73-T135 HydrophobicContact CZ2-CG2 3.95Å; W73-G137 PolarHBondContact NE1-O 3.06Å; W73-G137 VanDerWaalsContact NE1-O 3.14Å; W73-Q138 HydrophobicContact CD2-CB 4.19Å; W73-Q138 HydrophobicContact CD2-CG 4.09Å; W73-Q138 HydrophobicContact CE3-CB 4.49Å; W73-Q138 HydrophobicContact CE3-CG 3.99Å; W73-Q138 HydrophobicContact CH2-CB 4.19Å; W73-Q138 HydrophobicContact CH2-CG 4.22Å; W73-Q138 HydrophobicContact CZ2-CB 3.87Å; W73-Q138 HydrophobicContact CZ2-CG 4.32Å; W73-Q138 HydrophobicContact CZ3-CB 4.49Å; W73-Q138 HydrophobicContact CZ3-CG 4.06Å
74A86.8Confident89.1Confident0 Ų046.3 Ų46.30%022%0.224CC..THydrogen-bonded Turntrans-85.64179.200000114.5F49 F51 Q70 L76F49-A74 HydrophobicContact CB-CB 4.47Å; F49-A74 HydrophobicContact CD1-CB 4.31Å; F49-A74 HydrophobicContact CD2-CB 3.74Å; F49-A74 HydrophobicContact CE2-CB 3.95Å; F49-A74 HydrophobicContact CG-CB 3.93Å; F49-A74 HydrophobicContact CZ-CB 4.34Å; F51-A74 HydrophobicContact CE2-CB 4.21Å; F51-A74 HydrophobicContact CZ-CB 3.87Å; Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 3.14Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 HydrophobicContact CB-CD1 3.91Å; A74-L76 HydrophobicContact CB-CG 3.85Å; A74-L76 PolarHBondContact O-N 3.35Å
75Q86Confident88.9Confident144 Ų14448.2 Ų48.267%0.67323%0.233SC*.THydrogen-bonded Turntrans53.541-178-56.4-179.3-2.400114R71 R72 W73R71-Q75 CarbonylContact O-C 3.57Å; R71-Q75 VanDerWaalsContact O-CA 3.28Å; R71-Q75 WeakPolarHBondContact O-CA 3.33Å; R71-Q75 PolarHBondContact O-N 2.71Å; R72-Q75 PolarHBondContact O-N 2.89Å; W73-Q75 VanDerWaalsContact C-N 3.3Å; W73-Q75 PolarHBondContact O-N 3.47Å
76L88.5Confident88.6Confident11 Ų1149.7 Ų49.76%0.05824%0.243CC..PPolyproline II helixtrans-91.5130.3-178.4-63173.5000111.7T8 T43 F66 R71 A74 I82T8-L76 HydrophobicContact CG2-CB 4.39Å; T8-L76 HydrophobicContact CG2-CD1 4.32Å; T8-L76 HydrophobicContact CG2-CD2 4.16Å; T43-L76 HydrophobicContact CG2-CD2 3.34Å; T43-L76 HydrophobicContact CG2-CG 4.33Å; F66-L76 HydrophobicContact CD1-CD1 4.38Å; F66-L76 HydrophobicContact CD2-CD1 3.67Å; F66-L76 HydrophobicContact CE1-CD1 4.39Å; F66-L76 HydrophobicContact CE2-CD1 3.68Å; F66-L76 HydrophobicContact CG-CD1 4.06Å; F66-L76 HydrophobicContact CZ-CD1 4.1Å; R71-L76 HydrophobicContact CB-CB 4.2Å; R71-L76 HydrophobicContact CG-CB 4.08Å; R71-L76 PolarHBondContact O-N 2.89Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 HydrophobicContact CB-CD1 3.91Å; A74-L76 HydrophobicContact CB-CG 3.85Å; A74-L76 PolarHBondContact O-N 3.35Å; L76-I82 HydrophobicContact CD2-CG2 3.74Å
77S89.9Confident88.1Confident78 Ų7852.5 Ų52.555%0.54525%0.253SS..PPolyproline II helixtrans-85.8166.8166.8-65.60000110.9T8T8-S77 WeakPolarHBondContact CB-O 3.35Å; T8-S77 PolarHBondContact OG1-O 3.42Å
78L90.3Very high87.6Confident80 Ų8056.6 Ų56.642%0.41929%0.288SS..THydrogen-bonded Turntrans-75.6146.9168.5-66.5172.6000109.5K10 R71 Q80K10-L78 HydrophobicContact CB-CD2 3.97Å; R71-L78 VanDerWaalsContact NH1-CD2 3.34Å; L78-Q80 PolarHBondContact O-N 3.34Å
79D88.7Confident86.9Confident122 Ų12254.3 Ų54.365%0.65228%0.276SS*.THydrogen-bonded Turntrans59.520-178.1-60.3-46000114.9T8T8-D79 WeakPolarHBondContact O-CA 3.37Å; T8-D79 PolarHBondContact O-N 2.94Å; T8-D79 PolarHBondContact OG1-N 3.48Å
80Q90Very high86.2Confident58 Ų5857.7 Ų57.727%0.27129%0.294SS..  trans-79.2134173.6-176.9178.1-3.700109.8R7 T8 L78 I82R7-Q80 WeakPolarHBondContact CA-O 3.49Å; T8-Q80 HydrophobicContact CG2-CB 4.35Å; T8-Q80 PolarHBondContact N-O 3.29Å; T8-Q80 PolarHBondContact OG1-N 3.16Å; T8-Q80 PolarHBondContact OG1-O 3.08Å; L78-Q80 PolarHBondContact O-N 3.34Å; Q80-I82 HydrophobicContact CG-CG2 4.23Å
81E90.2Very high85Confident106 Ų10661.7 Ų61.750%0.49532%0.322SS..EExtended strand (participates in β ladder)trans-80.5128.2170.9-75.7-178.9-177.800110.4W5 R7W5-E81 HydrophobicContact CE3-CB 4.32Å; R7-E81 HydrophobicContact CG-CG 3.65Å; R7-E81 IonicContact CZ-OE1 3.64Å; R7-E81 IonicContact NE-OE1 2.88Å; R7-E81 PolarHBondContact NE-OE1 3.42Å; R7-E81 IonicContact NH2-OE1 3.46Å; R7-E81 PolarHBondContact NH2-OE1 3.14Å
82I90.7Very high83.9Confident2 Ų267.8 Ų67.81%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-130.6147.8-178.852.7166.6000110.8W5 M6 T8 I41 T43 I64 F66 L76 Q80 V84W5-I82 WeakPolarHBondContact CA-O 3.45Å; M6-I82 PolarHBondContact N-O 3.08Å; M6-I82 WeakPolarHBondContact O-CG1 3.34Å; M6-I82 PolarHBondContact O-N 3.11Å; T8-I82 HydrophobicContact CG2-CD1 3.66Å; T8-I82 HydrophobicContact CG2-CG1 3.96Å; T8-I82 HydrophobicContact CG2-CG2 4.14Å; I41-I82 HydrophobicContact CD1-CD1 4.07Å; I41-I82 HydrophobicContact CG2-CB 4Å; I41-I82 HydrophobicContact CG2-CD1 3.61Å; I41-I82 HydrophobicContact CG2-CG1 4.32Å; I41-I82 HydrophobicContact CG2-CG2 4.41Å; T43-I82 HydrophobicContact CG2-CG2 4.48Å; I64-I82 HydrophobicContact CG2-CD1 3.82Å; I64-I82 HydrophobicContact CG2-CG1 4.49Å; F66-I82 HydrophobicContact CE2-CD1 3.9Å; F66-I82 HydrophobicContact CZ-CD1 4.21Å; L76-I82 HydrophobicContact CD2-CG2 3.74Å; Q80-I82 HydrophobicContact CG-CG2 4.23Å; I82-V84 HydrophobicContact CD1-CG2 3.99Å; I82-V84 HydrophobicContact CG1-CG2 4.08Å
83E90.4Very high83.1Confident40 Ų4067.8 Ų67.819%0.18736%0.361CS..EExtended strand (participates in β ladder)trans-85.2116.4173.3-170.6-166.4149.600108.8P3 W5 I41 K42P3-E83 HydrophobicContact CB-CG 3.57Å; P3-E83 VanDerWaalsContact CB-OE1 3.29Å; P3-E83 WeakPolarHBondContact CB-OE1 3.43Å; W5-E83 HydrophobicContact CH2-CB 4.26Å; W5-E83 HydrophobicContact CZ2-CB 4.36Å; W5-E83 HydrophobicContact CZ3-CB 4.35Å; I41-E83 WeakPolarHBondContact CA-O 3.13Å; K42-E83 HydrophobicContact CB-CB 4.36Å; K42-E83 PolarHBondContact N-O 2.9Å; K42-E83 IonicContact NZ-OE1 3.37Å; K42-E83 PolarHBondContact NZ-OE1 2.92Å; K42-E83 IonicContact NZ-OE2 3.65Å
84V89.1Confident82.6Confident0 Ų068.2 Ų68.20%036%0.364CS..EExtended strand (participates in β ladder)trans-110.1119.6179.2-175.90000108.5K4 M6 F29 V39 I41 I82K4-V84 PolarHBondContact N-O 2.87Å; K4-V84 PolarHBondContact O-N 2.98Å; M6-V84 HydrophobicContact CB-CG2 4.06Å; M6-V84 HydrophobicContact CG-CB 4.42Å; M6-V84 HydrophobicContact CG-CG2 4.07Å; M6-V84 HydrophobicContact SD-CB 4.17Å; M6-V84 HydrophobicContact SD-CG1 4.33Å; M6-V84 HydrophobicContact SD-CG2 4Å; F29-V84 HydrophobicContact CZ-CG1 4.43Å; V39-V84 HydrophobicContact CB-CG1 3.67Å; V39-V84 HydrophobicContact CG1-CG1 3.59Å; V39-V84 HydrophobicContact CG2-CG1 3.9Å; I41-V84 HydrophobicContact CG1-CG2 4.4Å; I82-V84 HydrophobicContact CD1-CG2 3.99Å; I82-V84 HydrophobicContact CG1-CG2 4.08Å
85Q87.2Confident82.4Confident40 Ų4072.4 Ų72.419%0.18738%0.383CS..EExtended strand (participates in β ladder)trans-119.8138.1176.768.2-175.78.800111P3 V39 E40 K42 Y87P3-Q85 HydrophobicContact CB-CB 4.29Å; V39-Q85 CarbonylContact C-O 3.5Å; V39-Q85 WeakPolarHBondContact CA-O 3.49Å; E40-Q85 HydrophobicContact CB-CG 3.89Å; E40-Q85 HydrophobicContact CG-CG 4.44Å; E40-Q85 PolarHBondContact N-O 3.34Å; E40-Q85 PolarHBondContact O-N 3.48Å; E40-Q85 PolarHBondContact OE2-NE2 3.4Å; K42-Q85 VanDerWaalsContact CE-NE2 3.34Å; Q85-Y87 PolarHBondContact O-N 3.45Å
86P85.2Confident82.1Confident33 Ų3365.6 Ų65.621%0.21435%0.351CS..EExtended strand (participates in β ladder)trans-57.8132173.6-33.643.8000112.3M1 L36M1-P86 HydrophobicContact CB-CB 3.94Å; M1-P86 HydrophobicContact CB-CG 3.56Å; M1-P86 HydrophobicContact CG-CB 4.25Å; M1-P86 HydrophobicContact CG-CG 4.12Å; M1-P86 HydrophobicContact SD-CB 3.33Å; M1-P86 WeakPolarHBondContact SD-CB 3.42Å; M1-P86 HydrophobicContact SD-CG 3.38Å; M1-P86 WeakPolarHBondContact SD-CG 3.35Å; L36-P86 HydrophobicContact CD1-CB 3.78Å; L36-P86 HydrophobicContact CD1-CG 3.66Å; L36-P86 HydrophobicContact CD2-CB 3.82Å; L36-P86 HydrophobicContact CD2-CG 4.17Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.41Å
87Y82.3Confident81.8Confident58 Ų5869.3 Ų69.323%0.22738%0.383CS..  trans-120.1120.4-178.3-175-91.3000109.8H38 E40 V50 Q85 M89 Q94H38-Y87 HydrophobicContact CB-CD1 4.49Å; H38-Y87 PolarHBondContact O-N 3.21Å; E40-Y87 HydrophobicContact CB-CD2 4Å; E40-Y87 HydrophobicContact CB-CG 4.26Å; V50-Y87 HydrophobicContact CG1-CD1 3.72Å; V50-Y87 HydrophobicContact CG1-CE1 4.14Å; V50-Y87 HydrophobicContact CG1-CG 4.21Å; V50-Y87 HydrophobicContact CG2-CD1 4.3Å; V50-Y87 HydrophobicContact CG2-CD2 4.36Å; V50-Y87 HydrophobicContact CG2-CE1 4.32Å; V50-Y87 HydrophobicContact CG2-CE2 4.37Å; V50-Y87 HydrophobicContact CG2-CG 4.33Å; Q85-Y87 PolarHBondContact O-N 3.45Å; Y87-M89 HydrophobicContact CD1-CE 4.44Å; Y87-M89 HydrophobicContact CD1-CG 4.31Å; Y87-M89 HydrophobicContact CD1-SD 4.49Å; Y87-M89 HydrophobicContact CE1-CE 3.93Å; Y87-M89 HydrophobicContact CE1-CG 3.92Å; Y87-M89 HydrophobicContact CE1-SD 3.66Å; Y87-Q94 PolarHBondContact OH-NE2 3.33Å; Y87-Q94 VanDerWaalsContact OH-NE2 3.12Å; Y87-Q94 PolarHBondContact OH-OE1 3.28Å
88A78.3Confident81.5Confident91 Ų9166.8 Ų66.875%0.75237%0.369SS*.  trans-100.4119.117400000108.7
89M73.1Confident81.3Confident36 Ų3663 Ų6318%0.17735%0.349CS..  trans-66.2134.7174.4-74.6-81.5-178.300110V50 Y87 S91 Q94 A133V50-M89 HydrophobicContact CG1-CE 3.94Å; Y87-M89 HydrophobicContact CD1-CE 4.44Å; Y87-M89 HydrophobicContact CD1-CG 4.31Å; Y87-M89 HydrophobicContact CD1-SD 4.49Å; Y87-M89 HydrophobicContact CE1-CE 3.93Å; Y87-M89 HydrophobicContact CE1-CG 3.92Å; Y87-M89 HydrophobicContact CE1-SD 3.66Å; M89-S91 PolarHBondContact O-N 2.99Å; M89-Q94 VanDerWaalsContact CA-OE1 3.23Å; M89-Q94 HydrophobicContact CB-CB 4.43Å; M89-Q94 HydrophobicContact SD-CB 3.8Å; M89-Q94 HydrophobicContact SD-CG 4.46Å; M89-Q94 PolarHBondContact SD-OE1 2.86Å; M89-A133 HydrophobicContact CE-CB 3.34Å
90D70.9Confident81.3Confident79 Ų7958.3 Ų58.342%0.42233%0.325SS..  trans-74114.6175.6-175.36.5000110.1K92 N93 Q94D90-K92 PolarHBondContact O-N 3.28Å; D90-K92 PolarHBondContact OD1-N 3.2Å; D90-N93 PolarHBondContact O-N 3.07Å; D90-Q94 HydrophobicContact CB-CG 4.18Å; D90-Q94 WeakPolarHBondContact O-CB 3.48Å; D90-Q94 PolarHBondContact O-N 3.34Å; D90-Q94 VanDerWaalsContact O-N 3.1Å
91S65.4Low81.2Confident86 Ų8655.5 Ų55.560%0.60131%0.312SS*.THydrogen-bonded Turntrans-64.6-9.6-173.457.10000114.5M89 F95M89-S91 PolarHBondContact O-N 2.99Å; S91-F95 WeakPolarHBondContact O-CD2 3.48Å; S91-F95 WeakPolarHBondContact O-CE2 3.31Å
92K66.3Low81.2Confident180 Ų18053.3 Ų53.378%0.78330%0.302SS*.THydrogen-bonded Turntrans-92.5-32.7178-70.5-175.9179.1179.20114.3D90D90-K92 PolarHBondContact O-N 3.28Å; D90-K92 PolarHBondContact OD1-N 3.2Å
93N69.7Low81.1Confident138 Ų13853.2 Ų53.274%0.73830%0.301SS*.THydrogen-bonded Turntrans-128.9-8.4-166.4-73.9-9.4000114.6D90D90-N93 PolarHBondContact O-N 3.07Å
94Q76Confident81Confident51 Ų5152.8 Ų52.824%0.23830%0.3CS..  trans-109.328.9-171.7-60.9-176.3-7.500113Y87 M89 D90 G158 E159Y87-Q94 PolarHBondContact OH-NE2 3.33Å; Y87-Q94 VanDerWaalsContact OH-NE2 3.12Å; Y87-Q94 PolarHBondContact OH-OE1 3.28Å; M89-Q94 VanDerWaalsContact CA-OE1 3.23Å; M89-Q94 HydrophobicContact CB-CB 4.43Å; M89-Q94 HydrophobicContact SD-CB 3.8Å; M89-Q94 HydrophobicContact SD-CG 4.46Å; M89-Q94 PolarHBondContact SD-OE1 2.86Å; D90-Q94 HydrophobicContact CB-CG 4.18Å; D90-Q94 WeakPolarHBondContact O-CB 3.48Å; D90-Q94 PolarHBondContact O-N 3.34Å; D90-Q94 VanDerWaalsContact O-N 3.1Å; Q94-G158 CarbonylContact O-C 3.59Å; Q94-G158 WeakPolarHBondContact O-CA 3.37Å; Q94-E159 PolarHBondContact O-N 3.14Å
95F81.4Confident80.8Confident87 Ų8753.1 Ų53.138%0.38230%0.302SS..EExtended strand (participates in β ladder)trans-101.2138.6169-68.5-61.3000111.3S91 A97 E159 L161S91-F95 WeakPolarHBondContact O-CD2 3.48Å; S91-F95 WeakPolarHBondContact O-CE2 3.31Å; F95-A97 PolarHBondContact O-N 3.32Å; F95-E159 HydrophobicContact CD1-CB 4.02Å; F95-E159 HydrophobicContact CE1-CB 4.21Å; F95-L161 HydrophobicContact CB-CD1 3.83Å; F95-L161 HydrophobicContact CB-CG 4.18Å; F95-L161 HydrophobicContact CD1-CD1 4.17Å; F95-L161 HydrophobicContact CD1-CD2 3.54Å; F95-L161 HydrophobicContact CD1-CG 3.82Å; F95-L161 HydrophobicContact CE1-CD2 3.81Å; F95-L161 HydrophobicContact CG-CD1 4.02Å; F95-L161 HydrophobicContact CG-CD2 4.19Å; F95-L161 HydrophobicContact CG-CG 4.18Å
96I81.1Confident80.7Confident2 Ų254.4 Ų54.41%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-84.8110.9178.8-61.3177.9000108.6G98 M99 F134 G158 E159 S164I96-G98 VanDerWaalsContact CG2-C 3.47Å; I96-G98 VanDerWaalsContact CG2-O 3.27Å; I96-G98 WeakPolarHBondContact CG2-O 3.49Å; I96-M99 HydrophobicContact CD1-CE 3.57Å; I96-M99 HydrophobicContact CG2-CB 3.88Å; I96-M99 HydrophobicContact CG2-CE 4.06Å; I96-M99 HydrophobicContact CG2-CG 4.39Å; I96-F134 HydrophobicContact CD1-CB 3.94Å; I96-F134 HydrophobicContact CD1-CD2 4.44Å; I96-G158 WeakPolarHBondContact CD1-O 3.38Å; I96-E159 PolarHBondContact N-O 2.89Å; I96-S164 WeakPolarHBondContact O-CB 3.49Å; I96-S164 PolarHBondContact O-OG 3.32Å
97A81.5Confident80.4Confident89 Ų8957.9 Ų57.974%0.73632%0.319SS*.EExtended strand (participates in β ladder)trans-75.2-37.2170.400000111.6F95 S164 A165F95-A97 PolarHBondContact O-N 3.32Å; A97-S164 WeakPolarHBondContact O-CA 3.36Å; A97-A165 PolarHBondContact O-N 2.93Å
98G83.6Confident80Confident24 Ų2463.2 Ų63.225%0.24734%0.343CS..EExtended strand (participates in β ladder)trans-151.8149.3171.700000111.7I96 H156 A165I96-G98 VanDerWaalsContact CG2-C 3.47Å; I96-G98 VanDerWaalsContact CG2-O 3.27Å; I96-G98 WeakPolarHBondContact CG2-O 3.49Å; G98-H156 PolarHBondContact O-CD2 2.85Å; G98-H156 VanDerWaalsContact O-CD2 3.26Å; G98-A165 CarbonylContact C-O 3.56Å; G98-A165 WeakPolarHBondContact CA-O 3.34Å
99M87Confident79.6Confident1 Ų168.7 Ų68.71%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-131.8146.2177.355.5169.356.100111.6I96 L101 F125 F134 L153 L160 A165 V166 V167I96-M99 HydrophobicContact CD1-CE 3.57Å; I96-M99 HydrophobicContact CG2-CB 3.88Å; I96-M99 HydrophobicContact CG2-CE 4.06Å; I96-M99 HydrophobicContact CG2-CG 4.39Å; M99-L101 HydrophobicContact SD-CD1 3.92Å; M99-L101 HydrophobicContact SD-CD2 4.28Å; M99-L101 HydrophobicContact SD-CG 4.17Å; M99-F125 HydrophobicContact CE-CE1 4.45Å; M99-F125 HydrophobicContact SD-CD1 4.49Å; M99-F125 HydrophobicContact SD-CE1 3.53Å; M99-F125 VanDerWaalsContact SD-CE1 3.53Å; M99-F125 HydrophobicContact SD-CZ 4.04Å; M99-F134 HydrophobicContact CE-CB 4.5Å; M99-F134 HydrophobicContact CE-CD2 3.85Å; M99-F134 HydrophobicContact CE-CE2 4.26Å; M99-F134 HydrophobicContact CE-CG 4.2Å; M99-L153 HydrophobicContact CB-CD1 3.84Å; M99-L153 HydrophobicContact CE-CD1 4.35Å; M99-L153 HydrophobicContact SD-CD1 4.33Å; M99-L160 HydrophobicContact CE-CB 4.22Å; M99-L160 HydrophobicContact CE-CD1 3.46Å; M99-L160 VanDerWaalsContact CE-CD1 3.46Å; M99-L160 HydrophobicContact CE-CD2 4.41Å; M99-L160 HydrophobicContact CE-CG 4.24Å; M99-L160 HydrophobicContact SD-CD1 4.04Å; M99-A165 PolarHBondContact N-O 3.26Å; M99-V166 HydrophobicContact CG-CB 4.41Å; M99-V166 HydrophobicContact CG-CG1 4.24Å; M99-V166 HydrophobicContact CG-CG2 4.06Å; M99-V166 HydrophobicContact SD-CG1 4.4Å; M99-V166 HydrophobicContact SD-CG2 4.24Å; M99-V167 PolarHBondContact O-N 2.73Å
100T88.1Confident79.3Confident23 Ų2370.2 Ų70.214%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-109.6124.8172.8-500000109.5V154 T155 V167 E169T100-V154 PolarHBondContact O-N 3.2Å; T100-T155 VanDerWaalsContact CB-OG1 3.24Å; T100-T155 WeakPolarHBondContact CB-OG1 3.28Å; T100-T155 PolarHBondContact N-OG1 3.13Å; T100-T155 PolarHBondContact OG1-OG1 2.91Å; T100-T155 VanDerWaalsContact OG1-OG1 3.07Å; T100-V167 CarbonylContact C-O 3.57Å; T100-V167 VanDerWaalsContact CA-O 3.32Å; T100-V167 WeakPolarHBondContact CA-O 3.08Å; T100-V167 HydrophobicContact CG2-CG1 4.41Å; T100-E169 HydrophobicContact CG2-CB 4.29Å; T100-E169 VanDerWaalsContact CG2-CD 3.43Å; T100-E169 HydrophobicContact CG2-CG 3.71Å
101L88.8Confident79.2Confident0 Ų071.2 Ų71.20%036%0.363CS..EExtended strand (participates in β ladder)trans-116.4115-178.6-64169.9000109.6M99 T103 F125 I140 L151 L152 L153 V166 V167 F168 E169M99-L101 HydrophobicContact SD-CD1 3.92Å; M99-L101 HydrophobicContact SD-CD2 4.28Å; M99-L101 HydrophobicContact SD-CG 4.17Å; L101-T103 PolarHBondContact O-N 3.38Å; L101-T103 PolarHBondContact O-OG1 3.18Å; L101-F125 HydrophobicContact CD1-CD1 4.35Å; L101-F125 HydrophobicContact CD1-CD2 4.21Å; L101-F125 HydrophobicContact CD1-CE1 3.87Å; L101-F125 HydrophobicContact CD1-CE2 3.73Å; L101-F125 HydrophobicContact CD1-CZ 3.53Å; L101-I140 HydrophobicContact CD2-CD1 4.19Å; L101-L151 HydrophobicContact CB-CB 4.46Å; L101-L151 HydrophobicContact CD1-CD1 4.04Å; L101-L151 HydrophobicContact CD2-CB 4.45Å; L101-L152 CarbonylContact C-O 3.59Å; L101-L152 WeakPolarHBondContact CA-O 3.29Å; L101-L153 HydrophobicContact CD2-CB 4.2Å; L101-L153 HydrophobicContact CD2-CD1 3.58Å; L101-L153 HydrophobicContact CG-CD1 4.48Å; L101-V166 HydrophobicContact CD1-CG1 3.63Å; L101-V166 HydrophobicContact CG-CG1 4.46Å; L101-V167 PolarHBondContact N-O 3.38Å; L101-F168 HydrophobicContact CB-CD1 4.09Å; L101-F168 HydrophobicContact CB-CE1 4.37Å; L101-F168 HydrophobicContact CD1-CD1 4.4Å; L101-F168 HydrophobicContact CD1-CE1 3.85Å; L101-F168 HydrophobicContact CD1-CZ 4.49Å; L101-F168 WeakPolarHBondContact O-CA 3.45Å; L101-E169 PolarHBondContact O-N 3.15Å
102E89.2Confident79.4Confident59 Ų5968.3 Ų68.328%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-75.5124171.2-175.3-175.2175.300109.1L151 L152 V154 E169 A171E102-L151 CarbonylContact O-C 3.58Å; E102-L151 VanDerWaalsContact O-CA 3.28Å; E102-L151 WeakPolarHBondContact O-CA 3.14Å; E102-L152 HydrophobicContact CB-CB 4.24Å; E102-L152 PolarHBondContact N-O 3.06Å; E102-L152 PolarHBondContact O-N 2.87Å; E102-V154 HydrophobicContact CB-CG2 3.72Å; E102-E169 CarbonylContact C-O 3.5Å; E102-E169 WeakPolarHBondContact CA-O 3.43Å; E102-A171 VanDerWaalsContact CG-CA 3.49Å; E102-A171 HydrophobicContact CG-CB 3.66Å; E102-A171 WeakPolarHBondContact OE1-CA 3.48Å; E102-A171 WeakPolarHBondContact OE1-CB 3.37Å
103T88.3Confident79.5Confident0 Ų065.3 Ų65.30%035%0.345CS..EExtended strand (participates in β ladder)trans-113.9131-166.6-53.20000110.6L101 M121 L149 R150 L151 E169 A171 I176L101-T103 PolarHBondContact O-N 3.38Å; L101-T103 PolarHBondContact O-OG1 3.18Å; T103-M121 HydrophobicContact CG2-CE 4.42Å; T103-L149 HydrophobicContact CG2-CB 4.44Å; T103-L149 HydrophobicContact CG2-CD1 4.15Å; T103-R150 WeakPolarHBondContact CA-O 2.93Å; T103-L151 HydrophobicContact CG2-CD2 3.64Å; T103-L151 WeakPolarHBondContact OG1-CD2 3.37Å; T103-E169 WeakPolarHBondContact CB-O 3.47Å; T103-E169 PolarHBondContact N-O 3.14Å; T103-E169 PolarHBondContact OG1-O 2.84Å; T103-A171 PolarHBondContact O-N 2.95Å; T103-I176 HydrophobicContact CG2-CD1 3.66Å
104D87.7Confident79.7Confident31 Ų3164.6 Ų64.617%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-143.9168.9171-165.117.1000111.1L149 R150 A171 S174D104-L149 CarbonylContact O-C 3.59Å; D104-L149 WeakPolarHBondContact O-CA 3.48Å; D104-R150 PolarHBondContact N-O 3.27Å; D104-R150 PolarHBondContact O-N 3.11Å; D104-A171 HydrophobicContact CB-CB 4Å; D104-S174 VanDerWaalsContact OD1-CB 3.25Å; D104-S174 WeakPolarHBondContact OD1-CB 3.42Å; D104-S174 PolarHBondContact OD1-OG 2.91Å
105F86.5Confident79.9Confident7 Ų764.7 Ų64.73%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-69.4132.7171.7-70.2-79.4000110.8Q107 Q111 S112 Y116 L149 I176F105-Q107 VanDerWaalsContact C-N 3.27Å; F105-Q107 PolarHBondContact O-N 2.94Å; F105-Q111 HydrophobicContact CB-CG 4.45Å; F105-Q111 HydrophobicContact CD2-CB 4.26Å; F105-Q111 HydrophobicContact CD2-CG 3.73Å; F105-Q111 HydrophobicContact CE2-CB 4.24Å; F105-Q111 HydrophobicContact CE2-CG 4.17Å; F105-Q111 HydrophobicContact CG-CG 4.13Å; F105-S112 VanDerWaalsContact CZ-O 3.28Å; F105-S112 WeakPolarHBondContact CZ-O 3.03Å; F105-Y116 HydrophobicContact CE1-CE2 4.09Å; F105-Y116 WeakPolarHBondContact CE1-OH 3.33Å; F105-Y116 HydrophobicContact CZ-CE2 4.02Å; F105-L149 HydrophobicContact CD1-CD2 4.21Å; F105-L149 HydrophobicContact CE1-CD2 4.47Å; F105-I176 HydrophobicContact CD2-CB 4.36Å; F105-I176 HydrophobicContact CE2-CB 3.8Å; F105-I176 HydrophobicContact CE2-CG1 4.13Å; F105-I176 HydrophobicContact CZ-CB 4.27Å; F105-I176 HydrophobicContact CZ-CG1 4.08Å
106Y83.6Confident80Confident68 Ų6860.8 Ų60.827%0.26733%0.329SS..SBendtrans-62.9-35.6178-177.9-112.6000112.5P69 V141 K148 R150P69-Y106 HydrophobicContact CG-CE2 4.48Å; Y106-V141 HydrophobicContact CD2-CG1 4.33Å; Y106-V141 HydrophobicContact CD2-CG2 3.67Å; Y106-V141 HydrophobicContact CE2-CG2 3.46Å; Y106-V141 VanDerWaalsContact CE2-CG2 3.46Å; Y106-V141 HydrophobicContact CG-CG1 4.43Å; Y106-K148 WeakPolarHBondContact CB-O 3.42Å; Y106-K148 HydrophobicContact CD1-CB 4.31Å; Y106-K148 HydrophobicContact CG-CB 4.4Å; Y106-K148 PolarHBondContact N-O 3.24Å; Y106-R150 HydrophobicContact CD2-CB 4.42Å
107Q80.1Confident80.2Confident106 Ų10663.8 Ų63.850%0.49535%0.345SS..SBendtrans-122125173.6-66.8-177.511.700110.2F105 K109 T110F105-Q107 VanDerWaalsContact C-N 3.27Å; F105-Q107 PolarHBondContact O-N 2.94Å; Q107-K109 PolarHBondContact O-N 3.46Å; Q107-K109 VanDerWaalsContact O-N 3.08Å; Q107-T110 PolarHBondContact O-N 2.79Å; Q107-T110 VanDerWaalsContact O-N 3.08Å
108K72.4Confident80.6Confident170 Ų17059.6 Ų59.674%0.73931%0.31SS*.G310 helixtrans-61.8-18177.9-65.6-170.4176.8-172.50114.1T110 Q111K108-T110 VanDerWaalsContact C-N 3.34Å; K108-Q111 WeakPolarHBondContact O-CG 3.12Å
109K70.4Confident80.7Confident205 Ų20560.7 Ų60.789%0.89131%0.311SS*.G310 helixtrans-77.3-19.7177.2-67.7-172.3178.5-176.10113.4Q107Q107-K109 PolarHBondContact O-N 3.46Å; Q107-K109 VanDerWaalsContact O-N 3.08Å
110T67.6Low80.8Confident68 Ų6862.3 Ų62.342%0.41732%0.324SS..G310 helixtrans-104.923.1-172.6-25.90000111.9Q107 K108 S112Q107-T110 PolarHBondContact O-N 2.79Å; Q107-T110 VanDerWaalsContact O-N 3.08Å; K108-T110 VanDerWaalsContact C-N 3.34Å; T110-S112 PolarHBondContact O-N 3.45Å; T110-S112 VanDerWaalsContact O-N 3.1Å
111Q69.3Low80.9Confident100 Ų10061.2 Ų61.247%0.46732%0.318SS..  trans-61.8115.8178.4-69.6-17812.500109.3F105 K108 S175F105-Q111 HydrophobicContact CB-CG 4.45Å; F105-Q111 HydrophobicContact CD2-CB 4.26Å; F105-Q111 HydrophobicContact CD2-CG 3.73Å; F105-Q111 HydrophobicContact CE2-CB 4.24Å; F105-Q111 HydrophobicContact CE2-CG 4.17Å; F105-Q111 HydrophobicContact CG-CG 4.13Å; K108-Q111 WeakPolarHBondContact O-CG 3.12Å; Q111-S175 VanDerWaalsContact CD-OG 3.25Å; Q111-S175 PolarHBondContact OE1-OG 3.02Å
112S69Low81Confident26 Ų2661.6 Ų61.618%0.18232%0.321CS..  trans-101.5146.4170.670.70000109.7F105 T110 Y116F105-S112 VanDerWaalsContact CZ-O 3.28Å; F105-S112 WeakPolarHBondContact CZ-O 3.03Å; T110-S112 PolarHBondContact O-N 3.45Å; T110-S112 VanDerWaalsContact O-N 3.1Å; S112-Y116 PolarHBondContact OG-OH 3.1Å
113S67.7Low80.9Confident116 Ų11664 Ų6481%0.81134%0.335SS*.  trans-83.40.9172.154.20000113
114E75.4Confident81Confident123 Ų12367.7 Ų67.758%0.57535%0.352SS*.  trans-64.1143-178.5-66.3-175.2163.900111.3Y116E114-Y116 WeakPolarHBondContact O-CD2 3.46Å; E114-Y116 WeakPolarHBondContact O-CE2 3.36Å
115A78.5Confident81.1Confident53 Ų5366.2 Ų66.244%0.43834%0.344SS..EExtended strand (participates in β ladder)trans-75.3129.7174.100000110.3N177 T179A115-N177 WeakPolarHBondContact CA-O 3.45Å; A115-T179 HydrophobicContact CB-CG2 3.86Å
116Y83.8Confident81.2Confident6 Ų667.1 Ų67.12%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-99.8113.9176.3-71.7-96.2000109.3F105 S112 E114 T118 M121 F144 N147 L149 I176 N177 T179F105-Y116 HydrophobicContact CE1-CE2 4.09Å; F105-Y116 WeakPolarHBondContact CE1-OH 3.33Å; F105-Y116 HydrophobicContact CZ-CE2 4.02Å; S112-Y116 PolarHBondContact OG-OH 3.1Å; E114-Y116 WeakPolarHBondContact O-CD2 3.46Å; E114-Y116 WeakPolarHBondContact O-CE2 3.36Å; Y116-T118 PolarHBondContact O-N 2.97Å; Y116-M121 HydrophobicContact CD1-SD 4.34Å; Y116-M121 HydrophobicContact CG-SD 4.45Å; Y116-F144 AromaticContact CD1-CD1 3.74Å; Y116-F144 HydrophobicContact CD1-CD1 3.74Å; Y116-F144 HydrophobicContact CD1-CE1 4.14Å; Y116-F144 HydrophobicContact CE1-CD1 4.2Å; Y116-N147 HydrophobicContact CE1-CB 4.5Å; Y116-N147 PolarHBondContact OH-ND2 3.17Å; Y116-L149 HydrophobicContact CD1-CD1 4.21Å; Y116-L149 HydrophobicContact CE1-CD1 4.28Å; Y116-L149 HydrophobicContact CE1-CD2 4.29Å; Y116-I176 HydrophobicContact CD2-CD1 4Å; Y116-I176 HydrophobicContact CD2-CG1 3.68Å; Y116-I176 HydrophobicContact CE2-CD1 4.25Å; Y116-I176 HydrophobicContact CE2-CG1 3.96Å; Y116-I176 HydrophobicContact CG-CD1 4.29Å; Y116-I176 HydrophobicContact CG-CG1 4.38Å; Y116-N177 PolarHBondContact N-O 3.16Å; Y116-T179 PolarHBondContact O-N 3.02Å; Y116-T179 PolarHBondContact O-OG1 3.3Å
117D86.6Confident81.4Confident65 Ų6571.2 Ų71.235%0.34837%0.373SS..EExtended strand (participates in β ladder)trans-73.5105.6176.4-178.27000110.7D119 A120 M121D117-D119 PolarHBondContact O-N 3.06Å; D117-D119 PolarHBondContact OD1-N 2.87Å; D117-D119 VanDerWaalsContact OD1-N 3.1Å; D117-A120 HydrophobicContact CB-CB 4.15Å; D117-A120 PolarHBondContact O-N 3.47Å; D117-M121 VanDerWaalsContact O-CG 3.28Å; D117-M121 WeakPolarHBondContact O-CG 3.46Å; D117-M121 PolarHBondContact O-N 2.89Å
118T88.4Confident81.6Confident0 Ų068.6 Ų68.60%036%0.36CS..Hα-helixtrans-62.1-28-178.955.40000113.1Y116 A122 F168 L178 T179 G180 S182 R183Y116-T118 PolarHBondContact O-N 2.97Å; T118-A122 VanDerWaalsContact O-CB 3.3Å; T118-A122 WeakPolarHBondContact O-CB 3.44Å; T118-A122 PolarHBondContact O-N 2.93Å; T118-F168 HydrophobicContact CG2-CB 4.07Å; T118-F168 HydrophobicContact CG2-CD2 4.21Å; T118-L178 HydrophobicContact CG2-CB 3.8Å; T118-L178 HydrophobicContact CG2-CD1 4.47Å; T118-L178 HydrophobicContact CG2-CD2 4.04Å; T118-L178 HydrophobicContact CG2-CG 4.31Å; T118-T179 VanDerWaalsContact CB-O 3.32Å; T118-T179 WeakPolarHBondContact CB-O 3.4Å; T118-T179 WeakPolarHBondContact CG2-O 3.42Å; T118-T179 PolarHBondContact N-O 3.25Å; T118-T179 PolarHBondContact OG1-O 2.74Å; T118-G180 WeakPolarHBondContact OG1-CA 3.48Å; T118-S182 PolarHBondContact OG1-N 3.45Å; T118-R183 HydrophobicContact CG2-CB 4.15Å; T118-R183 PolarHBondContact OG1-N 2.95Å
119D87.1Confident82.3Confident48 Ų4860.5 Ų60.526%0.25733%0.325SS..Hα-helixtrans-73-42.2178.5-65.3-33.9000110.3D117 A122 L123 K181 S182D117-D119 PolarHBondContact O-N 3.06Å; D117-D119 PolarHBondContact OD1-N 2.87Å; D117-D119 VanDerWaalsContact OD1-N 3.1Å; D119-A122 PolarHBondContact O-N 2.88Å; D119-L123 WeakPolarHBondContact O-CG 3.37Å; D119-L123 PolarHBondContact O-N 2.68Å; D119-K181 PolarHBondContact OD1-N 3.08Å; D119-K181 PolarHBondContact OD2-N 3.37Å; D119-S182 VanDerWaalsContact OD1-CB 3.31Å; D119-S182 WeakPolarHBondContact OD1-CB 3.41Å; D119-S182 PolarHBondContact OD1-N 3.02Å; D119-S182 PolarHBondContact OD1-OG 3.19Å
120A88.8Confident82.8Confident35 Ų3552.9 Ų52.929%0.28930%0.298SS..Hα-helixtrans-65.8-41171.700000112D117 A122 L123 E124 F144D117-A120 HydrophobicContact CB-CB 4.15Å; D117-A120 PolarHBondContact O-N 3.47Å; A120-A122 PolarHBondContact O-N 3.35Å; A120-L123 PolarHBondContact O-N 3.12Å; A120-E124 PolarHBondContact O-N 3.3Å; A120-F144 HydrophobicContact CB-CE2 4.22Å; A120-F144 HydrophobicContact CB-CZ 3.96Å
121M90.8Very high83.4Confident0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-61.5-42.1175.1-71.4173.163.500112T103 Y116 D117 L123 E124 F125 F142 F144 L149 F168 L178T103-M121 HydrophobicContact CG2-CE 4.42Å; Y116-M121 HydrophobicContact CD1-SD 4.34Å; Y116-M121 HydrophobicContact CG-SD 4.45Å; D117-M121 VanDerWaalsContact O-CG 3.28Å; D117-M121 WeakPolarHBondContact O-CG 3.46Å; D117-M121 PolarHBondContact O-N 2.89Å; M121-L123 VanDerWaalsContact C-N 3.34Å; M121-L123 PolarHBondContact O-N 3.36Å; M121-E124 PolarHBondContact O-N 3.29Å; M121-F125 WeakPolarHBondContact O-CB 3.46Å; M121-F125 PolarHBondContact O-N 3.21Å; M121-F142 HydrophobicContact CB-CE1 4.16Å; M121-F142 HydrophobicContact CE-CD1 4.43Å; M121-F142 HydrophobicContact CE-CE1 4.22Å; M121-F142 HydrophobicContact CG-CE1 4.33Å; M121-F144 HydrophobicContact CB-CD2 4.31Å; M121-F144 HydrophobicContact CB-CE2 4.23Å; M121-F144 HydrophobicContact CG-CD1 3.73Å; M121-F144 HydrophobicContact CG-CD2 3.7Å; M121-F144 HydrophobicContact CG-CE1 3.64Å; M121-F144 HydrophobicContact CG-CE2 3.66Å; M121-F144 HydrophobicContact CG-CG 3.73Å; M121-F144 HydrophobicContact CG-CZ 3.61Å; M121-F144 HydrophobicContact SD-CD1 4.46Å; M121-L149 HydrophobicContact CE-CD1 3.53Å; M121-L149 HydrophobicContact SD-CD1 4.48Å; M121-F168 HydrophobicContact CB-CD2 4.43Å; M121-F168 HydrophobicContact CB-CE2 3.77Å; M121-F168 HydrophobicContact CB-CZ 3.89Å; M121-F168 HydrophobicContact CE-CD1 3.98Å; M121-F168 HydrophobicContact CE-CE1 3.98Å; M121-F168 HydrophobicContact CE-CG 4.3Å; M121-F168 HydrophobicContact CE-CZ 4.29Å; M121-L178 HydrophobicContact SD-CD2 4.25Å
122A89.5Confident84.1Confident8 Ų853.6 Ų53.67%0.06629%0.293CS..Hα-helixtrans-61.9-44178.900000111T118 D119 A120 F125 L126 V166 F168T118-A122 VanDerWaalsContact O-CB 3.3Å; T118-A122 WeakPolarHBondContact O-CB 3.44Å; T118-A122 PolarHBondContact O-N 2.93Å; D119-A122 PolarHBondContact O-N 2.88Å; A120-A122 PolarHBondContact O-N 3.35Å; A122-F125 PolarHBondContact O-N 3.1Å; A122-L126 WeakPolarHBondContact O-CB 3.24Å; A122-L126 VanDerWaalsContact O-CG 3.24Å; A122-L126 WeakPolarHBondContact O-CG 3.42Å; A122-L126 PolarHBondContact O-N 2.67Å; A122-V166 HydrophobicContact CB-CB 4.15Å; A122-F168 HydrophobicContact CB-CE2 3.93Å
123L88Confident84.8Confident108 Ų10852.4 Ų52.457%0.56529%0.285SS*.Hα-helixtrans-62.1-49.1176.9-72.2170.5000112D119 A120 M121 F125 L126 M127D119-L123 WeakPolarHBondContact O-CG 3.37Å; D119-L123 PolarHBondContact O-N 2.68Å; A120-L123 PolarHBondContact O-N 3.12Å; M121-L123 VanDerWaalsContact C-N 3.34Å; M121-L123 PolarHBondContact O-N 3.36Å; L123-F125 VanDerWaalsContact C-N 3.34Å; L123-F125 PolarHBondContact O-N 2.88Å; L123-L126 PolarHBondContact O-N 3.28Å; L123-M127 WeakPolarHBondContact O-CG 3.47Å; L123-M127 PolarHBondContact O-N 2.79Å
124E89.1Confident85.8Confident79 Ų7946.9 Ų46.937%0.36925%0.246SC..Hα-helixtrans-67-36.6-179.9-171.5168-178.400111.7A120 M121 M127 Q128 F142 F144A120-E124 PolarHBondContact O-N 3.3Å; M121-E124 PolarHBondContact O-N 3.29Å; E124-M127 PolarHBondContact O-N 3.45Å; E124-Q128 WeakPolarHBondContact O-CB 3.25Å; E124-Q128 PolarHBondContact O-N 2.69Å; E124-F142 HydrophobicContact CB-CZ 4.12Å; E124-F142 HydrophobicContact CG-CE2 4.26Å; E124-F142 HydrophobicContact CG-CZ 4.22Å; E124-F144 HydrophobicContact CB-CD2 4.35Å; E124-F144 HydrophobicContact CB-CE2 4.46Å; E124-F144 WeakPolarHBondContact OE2-CD2 3.26Å; E124-F144 WeakPolarHBondContact OE2-CE2 3.49Å
125F90.6Very high86.1Confident0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-62.9-46.9173.7-175.1-88.9000111.7M99 L101 M121 A122 L123 M127 Q128 F129 F134 F142 L151 L160 V166 F168M99-F125 HydrophobicContact CE-CE1 4.45Å; M99-F125 HydrophobicContact SD-CD1 4.49Å; M99-F125 HydrophobicContact SD-CE1 3.53Å; M99-F125 VanDerWaalsContact SD-CE1 3.53Å; M99-F125 HydrophobicContact SD-CZ 4.04Å; L101-F125 HydrophobicContact CD1-CD1 4.35Å; L101-F125 HydrophobicContact CD1-CD2 4.21Å; L101-F125 HydrophobicContact CD1-CE1 3.87Å; L101-F125 HydrophobicContact CD1-CE2 3.73Å; L101-F125 HydrophobicContact CD1-CZ 3.53Å; M121-F125 WeakPolarHBondContact O-CB 3.46Å; M121-F125 PolarHBondContact O-N 3.21Å; A122-F125 PolarHBondContact O-N 3.1Å; L123-F125 VanDerWaalsContact C-N 3.34Å; L123-F125 PolarHBondContact O-N 2.88Å; F125-M127 VanDerWaalsContact C-N 3.32Å; F125-M127 PolarHBondContact O-N 3.41Å; F125-Q128 PolarHBondContact O-N 3.48Å; F125-F129 HydrophobicContact CD1-CD2 4.32Å; F125-F129 AromaticContact CD2-CD2 3.48Å; F125-F129 HydrophobicContact CD2-CD2 3.48Å; F125-F129 VanDerWaalsContact CD2-CD2 3.48Å; F125-F129 AromaticContact CD2-CE2 3.67Å; F125-F129 HydrophobicContact CD2-CE2 3.67Å; F125-F129 HydrophobicContact CD2-CG 4.5Å; F125-F129 HydrophobicContact CE1-CB 4.36Å; F125-F129 HydrophobicContact CE1-CD2 4.33Å; F125-F129 AromaticContact CE2-CD2 3.47Å; F125-F129 HydrophobicContact CE2-CD2 3.47Å; F125-F129 VanDerWaalsContact CE2-CD2 3.47Å; F125-F129 AromaticContact CE2-CE2 3.71Å; F125-F129 HydrophobicContact CE2-CE2 3.71Å; F125-F129 HydrophobicContact CE2-CG 4.16Å; F125-F129 AromaticContact CG-CD2 3.92Å; F125-F129 HydrophobicContact CG-CD2 3.92Å; F125-F129 HydrophobicContact CG-CE2 4.48Å; F125-F129 HydrophobicContact CZ-CB 4.39Å; F125-F129 AromaticContact CZ-CD2 3.93Å; F125-F129 HydrophobicContact CZ-CD2 3.93Å; F125-F129 HydrophobicContact CZ-CG 4.21Å; F125-F129 WeakPolarHBondContact O-CB 3.35Å; F125-F129 WeakPolarHBondContact O-CD2 3.38Å; F125-F129 PolarHBondContact O-N 2.88Å; F125-F134 HydrophobicContact CE1-CZ 4.44Å; F125-F134 HydrophobicContact CZ-CE1 4.33Å; F125-F134 AromaticContact CZ-CZ 3.93Å; F125-F134 HydrophobicContact CZ-CZ 3.93Å; F125-F142 HydrophobicContact CB-CE2 4.17Å; F125-F142 HydrophobicContact CB-CZ 4.01Å; F125-F142 HydrophobicContact CD2-CD2 4.16Å; F125-F142 HydrophobicContact CD2-CE2 4.36Å; F125-F142 HydrophobicContact CD2-CG 4.25Å; F125-L151 HydrophobicContact CD2-CD1 3.83Å; F125-L151 HydrophobicContact CE2-CD1 3.66Å; F125-L160 HydrophobicContact CD1-CD2 4.18Å; F125-L160 HydrophobicContact CE1-CD2 3.75Å; F125-V166 HydrophobicContact CD1-CG1 4.16Å; F125-V166 HydrophobicContact CD1-CG2 3.95Å; F125-V166 HydrophobicContact CE1-CG2 4.4Å; F125-F168 HydrophobicContact CB-CZ 4.31Å
126L88.6Confident86.4Confident26 Ų2643.8 Ų43.814%0.13623%0.23CC..Hα-helixtrans-62.1-40.2176.3-72.8169.3000111.7A122 L123 S130 L160 V166A122-L126 WeakPolarHBondContact O-CB 3.24Å; A122-L126 VanDerWaalsContact O-CG 3.24Å; A122-L126 WeakPolarHBondContact O-CG 3.42Å; A122-L126 PolarHBondContact O-N 2.67Å; L123-L126 PolarHBondContact O-N 3.28Å; L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.34Å; L126-S130 PolarHBondContact O-N 3.02Å; L126-L160 HydrophobicContact CD2-CD1 3.82Å; L126-L160 HydrophobicContact CD2-CD2 4.13Å; L126-L160 HydrophobicContact CD2-CG 4.12Å; L126-V166 HydrophobicContact CD2-CG2 3.89Å; L126-V166 HydrophobicContact CG-CG2 4Å
127M87Confident86.4Confident153 Ų15345 Ų4575%0.75424%0.244SC*.Hα-helixtrans-62.4-44.3175-73-177.6-176.400111.8L123 E124 F125L123-M127 WeakPolarHBondContact O-CG 3.47Å; L123-M127 PolarHBondContact O-N 2.79Å; E124-M127 PolarHBondContact O-N 3.45Å; F125-M127 VanDerWaalsContact C-N 3.32Å; F125-M127 PolarHBondContact O-N 3.41Å
128Q85.4Confident86.4Confident51 Ų5142 Ų4224%0.23823%0.228CC..Hα-helixtrans-75.6-36.7-175.7-173.1175.55.800113L18 E124 F125 R132L18-Q128 PolarHBondContact O-NE2 3.09Å; L18-Q128 VanDerWaalsContact O-NE2 3.12Å; E124-Q128 WeakPolarHBondContact O-CB 3.25Å; E124-Q128 PolarHBondContact O-N 2.69Å; F125-Q128 PolarHBondContact O-N 3.48Å; Q128-R132 PolarHBondContact O-NH1 2.94Å; Q128-R132 PolarHBondContact O-NH2 3.04Å
129F86.8Confident86.3Confident0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-114.37.2-168.8-61.6-84.3000115.5L18 N20 F125 K131 R132 F134 I140 F142 L160L18-F129 WeakPolarHBondContact O-CE1 3.4Å; L18-F129 WeakPolarHBondContact O-CZ 3.43Å; N20-F129 HydrophobicContact CB-CD1 4.17Å; N20-F129 HydrophobicContact CB-CE1 3.71Å; F125-F129 HydrophobicContact CD1-CD2 4.32Å; F125-F129 AromaticContact CD2-CD2 3.48Å; F125-F129 HydrophobicContact CD2-CD2 3.48Å; F125-F129 VanDerWaalsContact CD2-CD2 3.48Å; F125-F129 AromaticContact CD2-CE2 3.67Å; F125-F129 HydrophobicContact CD2-CE2 3.67Å; F125-F129 HydrophobicContact CD2-CG 4.5Å; F125-F129 HydrophobicContact CE1-CB 4.36Å; F125-F129 HydrophobicContact CE1-CD2 4.33Å; F125-F129 AromaticContact CE2-CD2 3.47Å; F125-F129 HydrophobicContact CE2-CD2 3.47Å; F125-F129 VanDerWaalsContact CE2-CD2 3.47Å; F125-F129 AromaticContact CE2-CE2 3.71Å; F125-F129 HydrophobicContact CE2-CE2 3.71Å; F125-F129 HydrophobicContact CE2-CG 4.16Å; F125-F129 AromaticContact CG-CD2 3.92Å; F125-F129 HydrophobicContact CG-CD2 3.92Å; F125-F129 HydrophobicContact CG-CE2 4.48Å; F125-F129 HydrophobicContact CZ-CB 4.39Å; F125-F129 AromaticContact CZ-CD2 3.93Å; F125-F129 HydrophobicContact CZ-CD2 3.93Å; F125-F129 HydrophobicContact CZ-CG 4.21Å; F125-F129 WeakPolarHBondContact O-CB 3.35Å; F125-F129 WeakPolarHBondContact O-CD2 3.38Å; F125-F129 PolarHBondContact O-N 2.88Å; F129-K131 PolarHBondContact O-N 3.07Å; F129-R132 VanDerWaalsContact CE1-NH1 3.26Å; F129-R132 VanDerWaalsContact O-CB 3.28Å; F129-R132 WeakPolarHBondContact O-CB 3.49Å; F129-R132 WeakPolarHBondContact O-CG 3.44Å; F129-R132 PolarHBondContact O-N 3.35Å; F129-F134 HydrophobicContact CB-CE2 4.04Å; F129-F134 HydrophobicContact CB-CZ 3.69Å; F129-F134 AromaticContact CD1-CZ 3.88Å; F129-F134 HydrophobicContact CD1-CZ 3.88Å; F129-F134 AromaticContact CG-CZ 3.94Å; F129-F134 HydrophobicContact CG-CZ 3.94Å; F129-I140 HydrophobicContact CE1-CG2 3.93Å; F129-I140 HydrophobicContact CZ-CG2 3.89Å; F129-F142 AromaticContact CE2-CD2 3.79Å; F129-F142 HydrophobicContact CE2-CD2 3.79Å; F129-F142 HydrophobicContact CE2-CE2 4.4Å; F129-L160 HydrophobicContact CB-CD2 3.93Å
130S81.9Confident86.4Confident46 Ų4640.3 Ų40.332%0.32222%0.219SC..THydrogen-bonded Turntrans-51.8140.5176.759.30000112.7L126 R132L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.34Å; L126-S130 PolarHBondContact O-N 3.02Å; S130-R132 PolarHBondContact O-N 3.29Å
131K80.2Confident86.5Confident145 Ų14539.3 Ų39.363%0.6321%0.209SC*.THydrogen-bonded Turntrans62.921.5-178.4-53.3-178.3179.3-179.10115.3F129 E159 L160F129-K131 PolarHBondContact O-N 3.07Å; K131-E159 WeakPolarHBondContact CA-OE1 3.41Å; K131-E159 WeakPolarHBondContact CB-OE1 3.31Å; K131-L160 WeakPolarHBondContact CA-O 3.44Å; K131-L160 PolarHBondContact N-O 3.41Å
132R83.9Confident86.4Confident37 Ų3739.3 Ų39.314%0.1421%0.209CC..  trans-97.2147.5173-63.7-175.7179.3145.79.8111.3T19 C21 S52 Q128 F129 S130 F134 E159 L160T19-R132 WeakPolarHBondContact O-CD 3.44Å; T19-R132 PolarHBondContact O-NE 3.36Å; T19-R132 VanDerWaalsContact O-NE 3.08Å; T19-R132 PolarHBondContact O-NH1 3.15Å; C21-R132 PolarHBondContact SG-NE 2.88Å; S52-R132 WeakPolarHBondContact OG-CA 3.25Å; Q128-R132 PolarHBondContact O-NH1 2.94Å; Q128-R132 PolarHBondContact O-NH2 3.04Å; F129-R132 VanDerWaalsContact CE1-NH1 3.26Å; F129-R132 VanDerWaalsContact O-CB 3.28Å; F129-R132 WeakPolarHBondContact O-CB 3.49Å; F129-R132 WeakPolarHBondContact O-CG 3.44Å; F129-R132 PolarHBondContact O-N 3.35Å; S130-R132 PolarHBondContact O-N 3.29Å; R132-F134 HydrophobicContact CB-CE2 3.94Å; R132-F134 HydrophobicContact CB-CZ 4.34Å; R132-F134 WeakPolarHBondContact O-CD2 3.13Å; R132-E159 WeakPolarHBondContact O-CA 3.42Å; R132-L160 PolarHBondContact O-N 3.1Å
133A83.6Confident86.3Confident2 Ų242.4 Ų42.42%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-82132.417400000110.4V50 S52 M89V50-A133 HydrophobicContact CG1-CB 4.15Å; S52-A133 PolarHBondContact OG-N 3.41Å; M89-A133 HydrophobicContact CE-CB 3.34Å
134F86.9Confident86.1Confident0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-126.1141.9177.9-72.1-76.6000110.9N20 I96 M99 F125 F129 R132 I140 L153 C157 G158 L160N20-F134 WeakPolarHBondContact ND2-CE1 3.38Å; I96-F134 HydrophobicContact CD1-CB 3.94Å; I96-F134 HydrophobicContact CD1-CD2 4.44Å; M99-F134 HydrophobicContact CE-CB 4.5Å; M99-F134 HydrophobicContact CE-CD2 3.85Å; M99-F134 HydrophobicContact CE-CE2 4.26Å; M99-F134 HydrophobicContact CE-CG 4.2Å; F125-F134 HydrophobicContact CE1-CZ 4.44Å; F125-F134 HydrophobicContact CZ-CE1 4.33Å; F125-F134 AromaticContact CZ-CZ 3.93Å; F125-F134 HydrophobicContact CZ-CZ 3.93Å; F129-F134 HydrophobicContact CB-CE2 4.04Å; F129-F134 HydrophobicContact CB-CZ 3.69Å; F129-F134 AromaticContact CD1-CZ 3.88Å; F129-F134 HydrophobicContact CD1-CZ 3.88Å; F129-F134 AromaticContact CG-CZ 3.94Å; F129-F134 HydrophobicContact CG-CZ 3.94Å; R132-F134 HydrophobicContact CB-CE2 3.94Å; R132-F134 HydrophobicContact CB-CZ 4.34Å; R132-F134 WeakPolarHBondContact O-CD2 3.13Å; F134-I140 HydrophobicContact CD1-CD1 3.63Å; F134-I140 HydrophobicContact CD1-CG1 4.37Å; F134-I140 HydrophobicContact CE1-CD1 3.34Å; F134-I140 HydrophobicContact CE1-CG1 3.97Å; F134-I140 HydrophobicContact CZ-CD1 4.46Å; F134-L153 HydrophobicContact CB-CD2 3.72Å; F134-C157 WeakPolarHBondContact O-CA 3.47Å; F134-G158 PolarHBondContact N-O 3.42Å; F134-G158 PolarHBondContact O-N 2.79Å; F134-L160 HydrophobicContact CD2-CB 3.86Å; F134-L160 HydrophobicContact CE2-CB 3.76Å; F134-L160 HydrophobicContact CE2-CD2 3.84Å; F134-L160 HydrophobicContact CE2-CG 4.42Å
135T83Confident85.5Confident37 Ų3739.8 Ų39.823%0.22721%0.205CC..  trans-125.2143.5178.8-51.70000110.1W73 G137 Q138 L153W73-T135 HydrophobicContact CH2-CG2 4.23Å; W73-T135 HydrophobicContact CZ2-CG2 3.95Å; T135-G137 PolarHBondContact O-N 2.73Å; T135-Q138 VanDerWaalsContact N-OE1 3.1Å; T135-Q138 WeakPolarHBondContact O-CB 3.27Å; T135-Q138 PolarHBondContact O-N 3.21Å; T135-L153 WeakPolarHBondContact O-CD2 3.45Å
136V84.2Confident84.9Confident73 Ų7344.9 Ų44.944%0.44224%0.238SC..THydrogen-bonded Turntrans-58.5134.5178.6-179.60000110.1Q138 V154 H156V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-V154 WeakPolarHBondContact CG1-O 3.34Å; V136-H156 WeakPolarHBondContact CG2-O 3.36Å
137G83.8Confident84.7Confident31 Ų3144.8 Ų44.832%0.3224%0.237SC..THydrogen-bonded Turntrans83.9-0-175.600000114.8W73 T135 L152 L153W73-G137 PolarHBondContact NE1-O 3.06Å; W73-G137 VanDerWaalsContact NE1-O 3.14Å; T135-G137 PolarHBondContact O-N 2.73Å; G137-L152 VanDerWaalsContact O-CD1 3.28Å; G137-L152 WeakPolarHBondContact O-CD1 3.48Å; G137-L153 PolarHBondContact N-O 3.47Å
138Q86.1Confident84.7Confident2 Ų240.2 Ų40.21%0.00921%0.213CC..  trans-69.8130.8177.3-174.81766.100111.5N20 W73 T135 V136 I140 L153N20-Q138 PolarHBondContact ND2-NE2 2.95Å; N20-Q138 PolarHBondContact OD1-NE2 3.13Å; N20-Q138 VanDerWaalsContact OD1-NE2 3.14Å; W73-Q138 HydrophobicContact CD2-CB 4.19Å; W73-Q138 HydrophobicContact CD2-CG 4.09Å; W73-Q138 HydrophobicContact CE3-CB 4.49Å; W73-Q138 HydrophobicContact CE3-CG 3.99Å; W73-Q138 HydrophobicContact CH2-CB 4.19Å; W73-Q138 HydrophobicContact CH2-CG 4.22Å; W73-Q138 HydrophobicContact CZ2-CB 3.87Å; W73-Q138 HydrophobicContact CZ2-CG 4.32Å; W73-Q138 HydrophobicContact CZ3-CB 4.49Å; W73-Q138 HydrophobicContact CZ3-CG 4.06Å; T135-Q138 VanDerWaalsContact N-OE1 3.1Å; T135-Q138 WeakPolarHBondContact O-CB 3.27Å; T135-Q138 PolarHBondContact O-N 3.21Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-I140 HydrophobicContact CG-CG1 4.31Å; Q138-L153 PolarHBondContact O-N 2.97Å
139E87.7Confident84.7Confident13 Ų1337.8 Ų37.86%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-91.8123.8174.9-174.4176.8162.200110.6P69 R72 R150 L151P69-E139 HydrophobicContact CB-CG 4.4Å; R72-E139 IonicContact NH1-OE1 3.3Å; E139-R150 HydrophobicContact CG-CG 4Å; E139-R150 IonicContact OE1-CZ 2.89Å; E139-R150 IonicContact OE1-NE 2.96Å; E139-R150 PolarHBondContact OE1-NE 3.36Å; E139-R150 IonicContact OE1-NH2 3.37Å; E139-R150 IonicContact OE2-CZ 3.7Å; E139-R150 IonicContact OE2-NE 3.86Å; E139-R150 PolarHBondContact OE2-NE 2.83Å; E139-R150 IonicContact OE2-NH2 2.79Å; E139-R150 PolarHBondContact OE2-NH2 2.85Å; E139-L151 WeakPolarHBondContact CA-O 3.26Å
140I88.7Confident84.8Confident1 Ų142.2 Ų42.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121.6141-175.7-52.8149.9000108.4N20 L101 F129 F134 Q138 L151N20-I140 HydrophobicContact CB-CG2 4.29Å; L101-I140 HydrophobicContact CD2-CD1 4.19Å; F129-I140 HydrophobicContact CE1-CG2 3.93Å; F129-I140 HydrophobicContact CZ-CG2 3.89Å; F134-I140 HydrophobicContact CD1-CD1 3.63Å; F134-I140 HydrophobicContact CD1-CG1 4.37Å; F134-I140 HydrophobicContact CE1-CD1 3.34Å; F134-I140 HydrophobicContact CE1-CG1 3.97Å; F134-I140 HydrophobicContact CZ-CD1 4.46Å; Q138-I140 HydrophobicContact CG-CG1 4.31Å; I140-L151 HydrophobicContact CB-CB 4.27Å; I140-L151 PolarHBondContact N-O 3.38Å; I140-L151 PolarHBondContact O-N 3.36Å
141V89.8Confident85.2Confident13 Ų1340 Ų408%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-102.5117.9170.5-179.20000108L18 P69 Y106 K148 L149L18-V141 HydrophobicContact CD2-CB 4.4Å; L18-V141 HydrophobicContact CD2-CG1 3.75Å; P69-V141 HydrophobicContact CB-CG2 4.3Å; P69-V141 HydrophobicContact CG-CG2 3.44Å; P69-V141 VanDerWaalsContact CG-CG2 3.44Å; Y106-V141 HydrophobicContact CD2-CG1 4.33Å; Y106-V141 HydrophobicContact CD2-CG2 3.67Å; Y106-V141 HydrophobicContact CE2-CG2 3.46Å; Y106-V141 VanDerWaalsContact CE2-CG2 3.46Å; Y106-V141 HydrophobicContact CG-CG1 4.43Å; V141-K148 HydrophobicContact CG1-CB 4.3Å; V141-L149 WeakPolarHBondContact CA-O 3.42Å
142F89.4Confident85.6Confident0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-110.8126.3178.9176.3-132.9000109.3M121 E124 F125 F129 F144 L149 L151M121-F142 HydrophobicContact CB-CE1 4.16Å; M121-F142 HydrophobicContact CE-CD1 4.43Å; M121-F142 HydrophobicContact CE-CE1 4.22Å; M121-F142 HydrophobicContact CG-CE1 4.33Å; E124-F142 HydrophobicContact CB-CZ 4.12Å; E124-F142 HydrophobicContact CG-CE2 4.26Å; E124-F142 HydrophobicContact CG-CZ 4.22Å; F125-F142 HydrophobicContact CB-CE2 4.17Å; F125-F142 HydrophobicContact CB-CZ 4.01Å; F125-F142 HydrophobicContact CD2-CD2 4.16Å; F125-F142 HydrophobicContact CD2-CE2 4.36Å; F125-F142 HydrophobicContact CD2-CG 4.25Å; F129-F142 AromaticContact CE2-CD2 3.79Å; F129-F142 HydrophobicContact CE2-CD2 3.79Å; F129-F142 HydrophobicContact CE2-CE2 4.4Å; F142-F144 HydrophobicContact CD1-CB 4.1Å; F142-F144 HydrophobicContact CE1-CB 3.64Å; F142-F144 HydrophobicContact CE1-CD2 4.08Å; F142-F144 HydrophobicContact CE1-CG 4.16Å; F142-F144 HydrophobicContact CZ-CB 4.03Å; F142-F144 AromaticContact CZ-CD2 3.99Å; F142-F144 HydrophobicContact CZ-CD2 3.99Å; F142-F144 HydrophobicContact CZ-CG 4.44Å; F142-L149 HydrophobicContact CD1-CD1 4.39Å; F142-L149 PolarHBondContact N-O 3.27Å; F142-L149 PolarHBondContact O-N 3.15Å; F142-L151 HydrophobicContact CB-CD1 3.38Å; F142-L151 HydrophobicContact CB-CG 3.89Å; F142-L151 HydrophobicContact CD1-CD1 3.9Å; F142-L151 HydrophobicContact CG-CD1 3.87Å
143Q87.7Confident85.7Confident73 Ų7333.8 Ų33.834%0.34118%0.179SC..EExtended strand (participates in β ladder)trans-95.6117.7173.4-178.6167.7-2.700108L18L18-Q143 HydrophobicContact CD1-CB 4.19Å; L18-Q143 HydrophobicContact CD2-CB 4.12Å
144F84Confident85.6Confident3 Ų336.6 Ų36.61%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-127.2116.6175.8-177.7-102.6000108.4Y116 A120 M121 E124 F142 N147 L149Y116-F144 AromaticContact CD1-CD1 3.74Å; Y116-F144 HydrophobicContact CD1-CD1 3.74Å; Y116-F144 HydrophobicContact CD1-CE1 4.14Å; Y116-F144 HydrophobicContact CE1-CD1 4.2Å; A120-F144 HydrophobicContact CB-CE2 4.22Å; A120-F144 HydrophobicContact CB-CZ 3.96Å; M121-F144 HydrophobicContact CB-CD2 4.31Å; M121-F144 HydrophobicContact CB-CE2 4.23Å; M121-F144 HydrophobicContact CG-CD1 3.73Å; M121-F144 HydrophobicContact CG-CD2 3.7Å; M121-F144 HydrophobicContact CG-CE1 3.64Å; M121-F144 HydrophobicContact CG-CE2 3.66Å; M121-F144 HydrophobicContact CG-CG 3.73Å; M121-F144 HydrophobicContact CG-CZ 3.61Å; M121-F144 HydrophobicContact SD-CD1 4.46Å; E124-F144 HydrophobicContact CB-CD2 4.35Å; E124-F144 HydrophobicContact CB-CE2 4.46Å; E124-F144 WeakPolarHBondContact OE2-CD2 3.26Å; E124-F144 WeakPolarHBondContact OE2-CE2 3.49Å; F142-F144 HydrophobicContact CD1-CB 4.1Å; F142-F144 HydrophobicContact CE1-CB 3.64Å; F142-F144 HydrophobicContact CE1-CD2 4.08Å; F142-F144 HydrophobicContact CE1-CG 4.16Å; F142-F144 HydrophobicContact CZ-CB 4.03Å; F142-F144 AromaticContact CZ-CD2 3.99Å; F142-F144 HydrophobicContact CZ-CD2 3.99Å; F142-F144 HydrophobicContact CZ-CG 4.44Å; F144-N147 PolarHBondContact N-O 2.85Å; F144-N147 PolarHBondContact O-N 2.64Å; F144-L149 HydrophobicContact CB-CD1 4.33Å
145K77.2Confident85Confident129 Ų12938.6 Ų38.656%0.56121%0.208SC*.THydrogen-bonded Turntrans54.4-148.3-168.9-52.3-179.3175.8176.80109.6N147K145-N147 PolarHBondContact O-N 3.41Å; K145-N147 VanDerWaalsContact O-N 3.14Å
146P77.9Confident84.4Confident108 Ų10842.6 Ų42.670%0.70122%0.224SC*.THydrogen-bonded Turntrans-73-4.6-17632.2-35.4000113.5
147N83.4Confident83.9Confident23 Ų2343.1 Ų43.112%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-103.5142.3-169-64.5-31.3000112.3Y116 F144 K145Y116-N147 HydrophobicContact CE1-CB 4.5Å; Y116-N147 PolarHBondContact OH-ND2 3.17Å; F144-N147 PolarHBondContact N-O 2.85Å; F144-N147 PolarHBondContact O-N 2.64Å; K145-N147 PolarHBondContact O-N 3.41Å; K145-N147 VanDerWaalsContact O-N 3.14Å
148K86.2Confident83.9Confident58 Ų5841.8 Ų41.825%0.25222%0.216SC..EExtended strand (participates in β ladder)trans-97.6122.3174.3-65.8180-177.3176.70109.3E14 Y106 V141E14-K148 IonicContact OE1-NZ 2.77Å; E14-K148 IonicContact OE2-NZ 3.43Å; E14-K148 PolarHBondContact OE2-NZ 3Å; Y106-K148 WeakPolarHBondContact CB-O 3.42Å; Y106-K148 HydrophobicContact CD1-CB 4.31Å; Y106-K148 HydrophobicContact CG-CB 4.4Å; Y106-K148 PolarHBondContact N-O 3.24Å; V141-K148 HydrophobicContact CG1-CB 4.3Å
149L87.3Confident83.7Confident0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-104144.3176.9-58.6178.2000109.7T103 D104 F105 Y116 M121 V141 F142 F144 L151 I176T103-L149 HydrophobicContact CG2-CB 4.44Å; T103-L149 HydrophobicContact CG2-CD1 4.15Å; D104-L149 CarbonylContact O-C 3.59Å; D104-L149 WeakPolarHBondContact O-CA 3.48Å; F105-L149 HydrophobicContact CD1-CD2 4.21Å; F105-L149 HydrophobicContact CE1-CD2 4.47Å; Y116-L149 HydrophobicContact CD1-CD1 4.21Å; Y116-L149 HydrophobicContact CE1-CD1 4.28Å; Y116-L149 HydrophobicContact CE1-CD2 4.29Å; M121-L149 HydrophobicContact CE-CD1 3.53Å; M121-L149 HydrophobicContact SD-CD1 4.48Å; V141-L149 WeakPolarHBondContact CA-O 3.42Å; F142-L149 HydrophobicContact CD1-CD1 4.39Å; F142-L149 PolarHBondContact N-O 3.27Å; F142-L149 PolarHBondContact O-N 3.15Å; F144-L149 HydrophobicContact CB-CD1 4.33Å; L149-L151 HydrophobicContact CB-CD2 4.46Å; L149-I176 HydrophobicContact CD1-CD1 4.36Å; L149-I176 HydrophobicContact CD2-CD1 3.73Å
150R88.9Confident83.6Confident92 Ų9242.6 Ų42.635%0.34722%0.22SC..EExtended strand (participates in β ladder)trans-95.4120.4169.5-178.5-173.5-171.3-134.6-10.4107.2T103 D104 Y106 E139T103-R150 WeakPolarHBondContact CA-O 2.93Å; D104-R150 PolarHBondContact N-O 3.27Å; D104-R150 PolarHBondContact O-N 3.11Å; Y106-R150 HydrophobicContact CD2-CB 4.42Å; E139-R150 HydrophobicContact CG-CG 4Å; E139-R150 IonicContact OE1-CZ 2.89Å; E139-R150 IonicContact OE1-NE 2.96Å; E139-R150 PolarHBondContact OE1-NE 3.36Å; E139-R150 IonicContact OE1-NH2 3.37Å; E139-R150 IonicContact OE2-CZ 3.7Å; E139-R150 IonicContact OE2-NE 3.86Å; E139-R150 PolarHBondContact OE2-NE 2.83Å; E139-R150 IonicContact OE2-NH2 2.79Å; E139-R150 PolarHBondContact OE2-NH2 2.85Å
151L89.9Confident83.4Confident0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-112.2131.8176.2-54.5-178.9000109L101 E102 T103 F125 E139 I140 F142 L149 F168L101-L151 HydrophobicContact CB-CB 4.46Å; L101-L151 HydrophobicContact CD1-CD1 4.04Å; L101-L151 HydrophobicContact CD2-CB 4.45Å; E102-L151 CarbonylContact O-C 3.58Å; E102-L151 VanDerWaalsContact O-CA 3.28Å; E102-L151 WeakPolarHBondContact O-CA 3.14Å; T103-L151 HydrophobicContact CG2-CD2 3.64Å; T103-L151 WeakPolarHBondContact OG1-CD2 3.37Å; F125-L151 HydrophobicContact CD2-CD1 3.83Å; F125-L151 HydrophobicContact CE2-CD1 3.66Å; E139-L151 WeakPolarHBondContact CA-O 3.26Å; I140-L151 HydrophobicContact CB-CB 4.27Å; I140-L151 PolarHBondContact N-O 3.38Å; I140-L151 PolarHBondContact O-N 3.36Å; F142-L151 HydrophobicContact CB-CD1 3.38Å; F142-L151 HydrophobicContact CB-CG 3.89Å; F142-L151 HydrophobicContact CD1-CD1 3.9Å; F142-L151 HydrophobicContact CG-CD1 3.87Å; L149-L151 HydrophobicContact CB-CD2 4.46Å; L151-F168 HydrophobicContact CD1-CE1 4.17Å; L151-F168 HydrophobicContact CD2-CD1 4.3Å; L151-F168 HydrophobicContact CD2-CE1 4.32Å
152L88Confident83.1Confident50 Ų5048.3 Ų48.326%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-113.9124.5173.2-179.772.4000108.6L101 E102 G137 V154L101-L152 CarbonylContact C-O 3.59Å; L101-L152 WeakPolarHBondContact CA-O 3.29Å; E102-L152 HydrophobicContact CB-CB 4.24Å; E102-L152 PolarHBondContact N-O 3.06Å; E102-L152 PolarHBondContact O-N 2.87Å; G137-L152 VanDerWaalsContact O-CD1 3.28Å; G137-L152 WeakPolarHBondContact O-CD1 3.48Å; L152-V154 PolarHBondContact O-N 3.42Å
153L85.7Confident82.8Confident1 Ų154.6 Ų54.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-74117.2177.7-172.171.9000110.9M99 L101 F134 T135 G137 Q138 H156M99-L153 HydrophobicContact CB-CD1 3.84Å; M99-L153 HydrophobicContact CE-CD1 4.35Å; M99-L153 HydrophobicContact SD-CD1 4.33Å; L101-L153 HydrophobicContact CD2-CB 4.2Å; L101-L153 HydrophobicContact CD2-CD1 3.58Å; L101-L153 HydrophobicContact CG-CD1 4.48Å; F134-L153 HydrophobicContact CB-CD2 3.72Å; T135-L153 WeakPolarHBondContact O-CD2 3.45Å; G137-L153 PolarHBondContact N-O 3.47Å; Q138-L153 PolarHBondContact O-N 2.97Å; L153-H156 VanDerWaalsContact CD2-O 3.23Å; L153-H156 WeakPolarHBondContact CD2-O 3.33Å
154V81.1Confident82.7Confident61 Ų6151.4 Ų51.437%0.3727%0.274SS..  trans-94.3-35.6-178.2-172.70000111.5T100 E102 V136 L152T100-V154 PolarHBondContact O-N 3.2Å; E102-V154 HydrophobicContact CB-CG2 3.72Å; V136-V154 WeakPolarHBondContact CG1-O 3.34Å; L152-V154 PolarHBondContact O-N 3.42Å
155T75.9Confident82.7Confident42 Ų4254 Ų5426%0.25830%0.296SS..SBendtrans-128.5142.2-172.158.70000112.9T100T100-T155 VanDerWaalsContact CB-OG1 3.24Å; T100-T155 WeakPolarHBondContact CB-OG1 3.28Å; T100-T155 PolarHBondContact N-OG1 3.13Å; T100-T155 PolarHBondContact OG1-OG1 2.91Å; T100-T155 VanDerWaalsContact OG1-OG1 3.07Å
156H70.4Confident83.2Confident121 Ų12148 Ų4856%0.5627%0.27SS*.  trans62.6143.6174-53.8-69.8000116.4G98 V136 L153G98-H156 PolarHBondContact O-CD2 2.85Å; G98-H156 VanDerWaalsContact O-CD2 3.26Å; V136-H156 WeakPolarHBondContact CG2-O 3.36Å; L153-H156 VanDerWaalsContact CD2-O 3.23Å; L153-H156 WeakPolarHBondContact CD2-O 3.33Å
157C73.5Confident83.7Confident85 Ų8545 Ų4557%0.57425%0.249SC*.  trans-114.1140170.557.10000108.9F134F134-C157 WeakPolarHBondContact O-CA 3.47Å
158G82.4Confident84Confident2 Ų243.9 Ų43.92%0.02124%0.244CC..EExtended strand (participates in β ladder)trans156.2-171.5179.300000113.2Q94 I96 F134Q94-G158 CarbonylContact O-C 3.59Å; Q94-G158 WeakPolarHBondContact O-CA 3.37Å; I96-G158 WeakPolarHBondContact CD1-O 3.38Å; F134-G158 PolarHBondContact N-O 3.42Å; F134-G158 PolarHBondContact O-N 2.79Å
159E83.5Confident83.9Confident32 Ų3244.2 Ų44.215%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-87.4132174.5-169.3-176.9161.700110.8Q94 F95 I96 K131 R132Q94-E159 PolarHBondContact O-N 3.14Å; F95-E159 HydrophobicContact CD1-CB 4.02Å; F95-E159 HydrophobicContact CE1-CB 4.21Å; I96-E159 PolarHBondContact N-O 2.89Å; K131-E159 WeakPolarHBondContact CA-OE1 3.41Å; K131-E159 WeakPolarHBondContact CB-OE1 3.31Å; R132-E159 WeakPolarHBondContact O-CA 3.42Å
160L84.9Confident83.8Confident0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-75.9123176.6178.970.5000110.8M99 F125 L126 F129 K131 R132 F134 S164M99-L160 HydrophobicContact CE-CB 4.22Å; M99-L160 HydrophobicContact CE-CD1 3.46Å; M99-L160 VanDerWaalsContact CE-CD1 3.46Å; M99-L160 HydrophobicContact CE-CD2 4.41Å; M99-L160 HydrophobicContact CE-CG 4.24Å; M99-L160 HydrophobicContact SD-CD1 4.04Å; F125-L160 HydrophobicContact CD1-CD2 4.18Å; F125-L160 HydrophobicContact CE1-CD2 3.75Å; L126-L160 HydrophobicContact CD2-CD1 3.82Å; L126-L160 HydrophobicContact CD2-CD2 4.13Å; L126-L160 HydrophobicContact CD2-CG 4.12Å; F129-L160 HydrophobicContact CB-CD2 3.93Å; K131-L160 WeakPolarHBondContact CA-O 3.44Å; K131-L160 PolarHBondContact N-O 3.41Å; R132-L160 PolarHBondContact O-N 3.1Å; F134-L160 HydrophobicContact CD2-CB 3.86Å; F134-L160 HydrophobicContact CE2-CB 3.76Å; F134-L160 HydrophobicContact CE2-CD2 3.84Å; F134-L160 HydrophobicContact CE2-CG 4.42Å; L160-S164 VanDerWaalsContact CD1-CB 3.44Å
161L84.3Confident83.4Confident49 Ų4942.6 Ų42.626%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-88.9154.2173.6-64.9172.9000110.8F95 N163 S164F95-L161 HydrophobicContact CB-CD1 3.83Å; F95-L161 HydrophobicContact CB-CG 4.18Å; F95-L161 HydrophobicContact CD1-CD1 4.17Å; F95-L161 HydrophobicContact CD1-CD2 3.54Å; F95-L161 HydrophobicContact CD1-CG 3.82Å; F95-L161 HydrophobicContact CE1-CD2 3.81Å; F95-L161 HydrophobicContact CG-CD1 4.02Å; F95-L161 HydrophobicContact CG-CD2 4.19Å; F95-L161 HydrophobicContact CG-CG 4.18Å; L161-N163 WeakPolarHBondContact CB-OD1 2.94Å; L161-N163 PolarHBondContact O-N 3.07Å; L161-N163 VanDerWaalsContact O-N 3.1Å; L161-S164 WeakPolarHBondContact CA-OG 3.38Å; L161-S164 WeakPolarHBondContact CB-OG 3.37Å; L161-S164 PolarHBondContact N-OG 3.07Å; L161-S164 WeakPolarHBondContact O-CB 3.26Å; L161-S164 PolarHBondContact O-N 3.22Å; L161-S164 VanDerWaalsContact O-N 3.13Å; L161-S164 PolarHBondContact O-OG 2.92Å
162P83Confident82.6Confident85 Ų8552 Ų5255%0.55229%0.288SS*.EExtended strand (participates in β ladder)trans-60.4-19.4176.1-24.334.3000114.8
163N83.9Confident81.8Confident133 Ų13353.1 Ų53.171%0.71131%0.312SS*.EExtended strand (participates in β ladder)trans-1079.7179.866.3-29.6000113.4L161L161-N163 WeakPolarHBondContact CB-OD1 2.94Å; L161-N163 PolarHBondContact O-N 3.07Å; L161-N163 VanDerWaalsContact O-N 3.1Å
164S84.8Confident81.3Confident5 Ų553.4 Ų53.44%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-65.8142.5176.3-58.80000111.2I96 A97 L160 L161I96-S164 WeakPolarHBondContact O-CB 3.49Å; I96-S164 PolarHBondContact O-OG 3.32Å; A97-S164 WeakPolarHBondContact O-CA 3.36Å; L160-S164 VanDerWaalsContact CD1-CB 3.44Å; L161-S164 WeakPolarHBondContact CA-OG 3.38Å; L161-S164 WeakPolarHBondContact CB-OG 3.37Å; L161-S164 PolarHBondContact N-OG 3.07Å; L161-S164 WeakPolarHBondContact O-CB 3.26Å; L161-S164 PolarHBondContact O-N 3.22Å; L161-S164 VanDerWaalsContact O-N 3.13Å; L161-S164 PolarHBondContact O-OG 2.92Å
165A85.5Confident81Confident57 Ų5753 Ų5347%0.47131%0.313SS..EExtended strand (participates in β ladder)trans-79.8125.3172.800000110.5A97 G98 M99A97-A165 PolarHBondContact O-N 2.93Å; G98-A165 CarbonylContact C-O 3.56Å; G98-A165 WeakPolarHBondContact CA-O 3.34Å; M99-A165 PolarHBondContact N-O 3.26Å
166V87.4Confident81.2Confident5 Ų551 Ų513%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-107.4125.6177.2-176.10000108.6M99 L101 A122 F125 L126 F168 S182M99-V166 HydrophobicContact CG-CB 4.41Å; M99-V166 HydrophobicContact CG-CG1 4.24Å; M99-V166 HydrophobicContact CG-CG2 4.06Å; M99-V166 HydrophobicContact SD-CG1 4.4Å; M99-V166 HydrophobicContact SD-CG2 4.24Å; L101-V166 HydrophobicContact CD1-CG1 3.63Å; L101-V166 HydrophobicContact CG-CG1 4.46Å; A122-V166 HydrophobicContact CB-CB 4.15Å; F125-V166 HydrophobicContact CD1-CG1 4.16Å; F125-V166 HydrophobicContact CD1-CG2 3.95Å; F125-V166 HydrophobicContact CE1-CG2 4.4Å; L126-V166 HydrophobicContact CD2-CG2 3.89Å; L126-V166 HydrophobicContact CG-CG2 4Å; V166-F168 HydrophobicContact CB-CE2 4.43Å; V166-F168 HydrophobicContact CG1-CD2 4.36Å; V166-F168 HydrophobicContact CG1-CE1 4.05Å; V166-F168 HydrophobicContact CG1-CE2 3.71Å; V166-F168 HydrophobicContact CG1-CZ 3.54Å; V166-S182 WeakPolarHBondContact O-CB 3.35Å
167V88.1Confident81.4Confident43 Ų4348.8 Ų48.826%0.26129%0.294SS..EExtended strand (participates in β ladder)trans-116.1124.1-178.6179.60000109M99 T100 L101 S182 G184M99-V167 PolarHBondContact O-N 2.73Å; T100-V167 CarbonylContact C-O 3.57Å; T100-V167 VanDerWaalsContact CA-O 3.32Å; T100-V167 WeakPolarHBondContact CA-O 3.08Å; T100-V167 HydrophobicContact CG2-CG1 4.41Å; L101-V167 PolarHBondContact N-O 3.38Å; V167-S182 CarbonylContact C-O 3.59Å; V167-S182 VanDerWaalsContact CA-O 3.26Å; V167-S182 WeakPolarHBondContact CA-O 3.49Å; V167-G184 VanDerWaalsContact CG1-N 3.29Å
168F88.6Confident81.8Confident0 Ų044.9 Ų44.90%027%0.267CS..EExtended strand (participates in β ladder)trans-100.9123178.2-61.2-83.1000110.8L101 T118 M121 A122 F125 L151 V166 L178 S182 R183 G184L101-F168 HydrophobicContact CB-CD1 4.09Å; L101-F168 HydrophobicContact CB-CE1 4.37Å; L101-F168 HydrophobicContact CD1-CD1 4.4Å; L101-F168 HydrophobicContact CD1-CE1 3.85Å; L101-F168 HydrophobicContact CD1-CZ 4.49Å; L101-F168 WeakPolarHBondContact O-CA 3.45Å; T118-F168 HydrophobicContact CG2-CB 4.07Å; T118-F168 HydrophobicContact CG2-CD2 4.21Å; M121-F168 HydrophobicContact CB-CD2 4.43Å; M121-F168 HydrophobicContact CB-CE2 3.77Å; M121-F168 HydrophobicContact CB-CZ 3.89Å; M121-F168 HydrophobicContact CE-CD1 3.98Å; M121-F168 HydrophobicContact CE-CE1 3.98Å; M121-F168 HydrophobicContact CE-CG 4.3Å; M121-F168 HydrophobicContact CE-CZ 4.29Å; A122-F168 HydrophobicContact CB-CE2 3.93Å; F125-F168 HydrophobicContact CB-CZ 4.31Å; L151-F168 HydrophobicContact CD1-CE1 4.17Å; L151-F168 HydrophobicContact CD2-CD1 4.3Å; L151-F168 HydrophobicContact CD2-CE1 4.32Å; V166-F168 HydrophobicContact CB-CE2 4.43Å; V166-F168 HydrophobicContact CG1-CD2 4.36Å; V166-F168 HydrophobicContact CG1-CE1 4.05Å; V166-F168 HydrophobicContact CG1-CE2 3.71Å; V166-F168 HydrophobicContact CG1-CZ 3.54Å; F168-L178 HydrophobicContact CB-CD1 4.06Å; F168-S182 PolarHBondContact N-O 3.37Å; F168-R183 WeakPolarHBondContact O-CA 3.32Å; F168-G184 PolarHBondContact O-N 3.01Å
169E85.3Confident81.6Confident66 Ų6647.6 Ų47.631%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-108.7147171.6-73.5-176.4177.100109.7T100 L101 E102 T103T100-E169 HydrophobicContact CG2-CB 4.29Å; T100-E169 VanDerWaalsContact CG2-CD 3.43Å; T100-E169 HydrophobicContact CG2-CG 3.71Å; L101-E169 PolarHBondContact O-N 3.15Å; E102-E169 CarbonylContact C-O 3.5Å; E102-E169 WeakPolarHBondContact CA-O 3.43Å; T103-E169 WeakPolarHBondContact CB-O 3.47Å; T103-E169 PolarHBondContact N-O 3.14Å; T103-E169 PolarHBondContact OG1-O 2.84Å
170K84.6Confident81.3Confident45 Ų4548.1 Ų48.120%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-82.2133.5177.2171.6175.5-179174.70109.5S174 I176 L178K170-S174 WeakPolarHBondContact CE-O 3.32Å; K170-S174 PolarHBondContact NZ-O 2.84Å; K170-I176 HydrophobicContact CB-CG2 4.36Å; K170-I176 HydrophobicContact CD-CG2 4.26Å; K170-I176 WeakPolarHBondContact CD-O 3.35Å; K170-I176 WeakPolarHBondContact CE-O 3.25Å; K170-I176 HydrophobicContact CG-CG2 3.89Å; K170-I176 PolarHBondContact NZ-O 3.41Å; K170-L178 HydrophobicContact CB-CD1 4.28Å
171A81.7Confident80.9Confident12 Ų1257.3 Ų57.310%0.09934%0.337CS..  trans-62.5146.9175.600000112.8E102 T103 D104 G173 S174E102-A171 VanDerWaalsContact CG-CA 3.49Å; E102-A171 HydrophobicContact CG-CB 3.66Å; E102-A171 WeakPolarHBondContact OE1-CA 3.48Å; E102-A171 WeakPolarHBondContact OE1-CB 3.37Å; T103-A171 PolarHBondContact O-N 2.95Å; D104-A171 HydrophobicContact CB-CB 4Å; A171-G173 PolarHBondContact O-N 3.44Å; A171-S174 WeakPolarHBondContact O-CB 3.49Å; A171-S174 PolarHBondContact O-N 3.32Å
172E72.2Confident80.5Confident197 Ų19756.4 Ų56.492%0.92134%0.335SS*.THydrogen-bonded Turntrans-59115.4177.4-71-165.5164.600110.6
173G70.6Confident80.2Confident75 Ų7555.4 Ų55.477%0.77332%0.321SS*.THydrogen-bonded Turntrans861.2-178.300000115.9A171A171-G173 PolarHBondContact O-N 3.44Å
174S76.3Confident79.2Confident7 Ų749.3 Ų49.35%0.04929%0.289CS..  trans-64158.2171.1-175.50000111D104 K170 A171 I176D104-S174 VanDerWaalsContact OD1-CB 3.25Å; D104-S174 WeakPolarHBondContact OD1-CB 3.42Å; D104-S174 PolarHBondContact OD1-OG 2.91Å; K170-S174 WeakPolarHBondContact CE-O 3.32Å; K170-S174 PolarHBondContact NZ-O 2.84Å; A171-S174 WeakPolarHBondContact O-CB 3.49Å; A171-S174 PolarHBondContact O-N 3.32Å; S174-I176 WeakPolarHBondContact OG-CG2 3.45Å; S174-I176 PolarHBondContact OG-N 2.8Å
175S73.4Confident77.9Confident51 Ų5158.9 Ų58.936%0.35733%0.33SS..  trans-101.6-0.3171.852.60000112.8Q111Q111-S175 VanDerWaalsContact CD-OG 3.25Å; Q111-S175 PolarHBondContact OE1-OG 3.02Å
176I80.4Confident76.3Confident2 Ų259.7 Ų59.71%0.0132%0.324CS..  trans-61.9140.2-177.2-160.2171.9000111.7T103 F105 Y116 L149 K170 S174 L178T103-I176 HydrophobicContact CG2-CD1 3.66Å; F105-I176 HydrophobicContact CD2-CB 4.36Å; F105-I176 HydrophobicContact CE2-CB 3.8Å; F105-I176 HydrophobicContact CE2-CG1 4.13Å; F105-I176 HydrophobicContact CZ-CB 4.27Å; F105-I176 HydrophobicContact CZ-CG1 4.08Å; Y116-I176 HydrophobicContact CD2-CD1 4Å; Y116-I176 HydrophobicContact CD2-CG1 3.68Å; Y116-I176 HydrophobicContact CE2-CD1 4.25Å; Y116-I176 HydrophobicContact CE2-CG1 3.96Å; Y116-I176 HydrophobicContact CG-CD1 4.29Å; Y116-I176 HydrophobicContact CG-CG1 4.38Å; L149-I176 HydrophobicContact CD1-CD1 4.36Å; L149-I176 HydrophobicContact CD2-CD1 3.73Å; K170-I176 HydrophobicContact CB-CG2 4.36Å; K170-I176 HydrophobicContact CD-CG2 4.26Å; K170-I176 WeakPolarHBondContact CD-O 3.35Å; K170-I176 WeakPolarHBondContact CE-O 3.25Å; K170-I176 HydrophobicContact CG-CG2 3.89Å; K170-I176 PolarHBondContact NZ-O 3.41Å; S174-I176 WeakPolarHBondContact OG-CG2 3.45Å; S174-I176 PolarHBondContact OG-N 2.8Å; I176-L178 HydrophobicContact CD1-CD2 4.04Å; I176-L178 HydrophobicContact CG1-CD2 4.26Å; I176-L178 HydrophobicContact CG2-CG 4.31Å
177N76.2Confident74.3Confident74 Ų7463.8 Ų63.840%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-108.5103.3178.5-169.715.1000109.7A115 Y116A115-N177 WeakPolarHBondContact CA-O 3.45Å; Y116-N177 PolarHBondContact N-O 3.16Å
178L81Confident72.5Confident3 Ų366.4 Ų66.42%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-96.3126.3-179.3-62.9178.1000110.4T118 M121 F168 K170 I176 R183T118-L178 HydrophobicContact CG2-CB 3.8Å; T118-L178 HydrophobicContact CG2-CD1 4.47Å; T118-L178 HydrophobicContact CG2-CD2 4.04Å; T118-L178 HydrophobicContact CG2-CG 4.31Å; M121-L178 HydrophobicContact SD-CD2 4.25Å; F168-L178 HydrophobicContact CB-CD1 4.06Å; K170-L178 HydrophobicContact CB-CD1 4.28Å; I176-L178 HydrophobicContact CD1-CD2 4.04Å; I176-L178 HydrophobicContact CG1-CD2 4.26Å; I176-L178 HydrophobicContact CG2-CG 4.31Å; L178-R183 HydrophobicContact CB-CG 4.36Å; L178-R183 WeakPolarHBondContact O-CD 3.44Å; L178-R183 PolarHBondContact O-NH1 3.39Å
179T78.8Confident70.8Confident58 Ų5877.3 Ų77.336%0.35641%0.407SS..EExtended strand (participates in β ladder)trans-120.3160176.357.70000110.7A115 Y116 T118A115-T179 HydrophobicContact CB-CG2 3.86Å; Y116-T179 PolarHBondContact O-N 3.02Å; Y116-T179 PolarHBondContact O-OG1 3.3Å; T118-T179 VanDerWaalsContact CB-O 3.32Å; T118-T179 WeakPolarHBondContact CB-O 3.4Å; T118-T179 WeakPolarHBondContact CG2-O 3.42Å; T118-T179 PolarHBondContact N-O 3.25Å; T118-T179 PolarHBondContact OG1-O 2.74Å
180G76.2Confident69.4Low44 Ų4477.3 Ų77.345%0.45442%0.415SS..SBendtrans103.8175.217800000114.3T118T118-G180 WeakPolarHBondContact OG1-CA 3.48Å
181K76.9Confident68.4Low192 Ų19277 Ų7784%0.83542%0.415SS*.THydrogen-bonded Turntrans-81.3-25.7-170.5-63.7177.1-178.7174.80113.5D119 R183D119-K181 PolarHBondContact OD1-N 3.08Å; D119-K181 PolarHBondContact OD2-N 3.37Å; K181-R183 PolarHBondContact O-N 3.4Å
182S76.4Confident67.5Low30 Ų3077.5 Ų77.521%0.2142%0.416CS..THydrogen-bonded Turntrans-79.99.9179.8-56.60000113.2T118 D119 V166 V167 F168T118-S182 PolarHBondContact OG1-N 3.45Å; D119-S182 VanDerWaalsContact OD1-CB 3.31Å; D119-S182 WeakPolarHBondContact OD1-CB 3.41Å; D119-S182 PolarHBondContact OD1-N 3.02Å; D119-S182 PolarHBondContact OD1-OG 3.19Å; V166-S182 WeakPolarHBondContact O-CB 3.35Å; V167-S182 CarbonylContact C-O 3.59Å; V167-S182 VanDerWaalsContact CA-O 3.26Å; V167-S182 WeakPolarHBondContact CA-O 3.49Å; F168-S182 PolarHBondContact N-O 3.37Å
183R76.2Confident67Low65 Ų6571.5 Ų71.525%0.24539%0.39CS..BIsolated β-bridgetrans-75.9140.3170.3-176176163.7-175-12.9110.1T118 F168 L178 K181 K185 N302T118-R183 HydrophobicContact CG2-CB 4.15Å; T118-R183 PolarHBondContact OG1-N 2.95Å; F168-R183 WeakPolarHBondContact O-CA 3.32Å; L178-R183 HydrophobicContact CB-CG 4.36Å; L178-R183 WeakPolarHBondContact O-CD 3.44Å; L178-R183 PolarHBondContact O-NH1 3.39Å; K181-R183 PolarHBondContact O-N 3.4Å; R183-K185 PolarHBondContact O-N 3.33Å; R183-N302 PolarHBondContact NH2-ND2 2.99Å
184G63.5Low66.3Low4 Ų472.8 Ų72.84%0.04138%0.384CS..  trans-56.6133.3173.700000111.2V167 F168 Q186V167-G184 VanDerWaalsContact CG1-N 3.29Å; F168-G184 PolarHBondContact O-N 3.01Å; G184-Q186 PolarHBondContact O-N 3.11Å
185K57.4Low65.4Low206 Ų20679.1 Ų79.190%0.89642%0.418SS*.  trans-66.381.7170.9-69.6-176.3-178.8179.60107.7R183 A187R183-K185 PolarHBondContact O-N 3.33Å; K185-A187 PolarHBondContact O-N 3.2Å; K185-A187 VanDerWaalsContact O-N 3.1Å
186Q51.6Low64.8Low75 Ų7580.3 Ų80.335%0.3542%0.415SS..  trans-55.8122.2168.8-76.7176.5-26.400106.6G184 F188 N302G184-Q186 PolarHBondContact O-N 3.11Å; Q186-F188 PolarHBondContact O-N 2.92Å; Q186-N302 PolarHBondContact OE1-ND2 2.93Å
187A43.9Very low64.1Low91 Ų9184.5 Ų84.575%0.75244%0.437SS*.  trans-51.2111.1-175.900000108.7K185 R189K185-A187 PolarHBondContact O-N 3.2Å; K185-A187 VanDerWaalsContact O-N 3.1Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.47Å
188F50.5Low63.6Low97 Ų9783 Ų8343%0.42543%0.427SS..  trans-60.2100.7172.3-178.4-98.8000106.4Q186 S190Q186-F188 PolarHBondContact O-N 2.92Å; F188-S190 PolarHBondContact O-N 3.24Å
189R54.2Low62.7Low229 Ų22990.9 Ų90.986%0.86446%0.464SS*.  trans-69.1107.4170.6-71.4-171.9-179-176.81.7105.3A187 I191A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.47Å; R189-I191 PolarHBondContact O-N 2.88Å
190S54.6Low62.1Low66 Ų6696.4 Ų96.446%0.46248%0.483SS..  trans-52.9118.5174.951.30000108.3F188 I192 N261F188-S190 PolarHBondContact O-N 3.24Å; S190-I192 PolarHBondContact O-N 3.31Å; S190-N261 PolarHBondContact O-ND2 3.39Å
191I64.3Low61.7Low40 Ų4095.7 Ų95.721%0.20547%0.468CS..SBendtrans-64.6-10179.7-59.7168.7000110.2R189 R221 L260 N261 L305R189-I191 PolarHBondContact O-N 2.88Å; I191-R221 HydrophobicContact CD1-CB 4.34Å; I191-L260 HydrophobicContact CG2-CB 4.44Å; I191-L260 HydrophobicContact CG2-CD2 4.23Å; I191-L260 CarbonylContact O-C 3.47Å; I191-L260 WeakPolarHBondContact O-CA 3.49Å; I191-N261 PolarHBondContact O-N 3.46Å; I191-L305 HydrophobicContact CG2-CB 4.47Å; I191-L305 HydrophobicContact CG2-CD2 4.12Å
192I62.1Low61.5Low22 Ų2287.7 Ų87.711%0.11344%0.44CS..BIsolated β-bridgetrans-114131.3-176.8-63.3161000109.3S190 F214 V222 M259 L260S190-I192 PolarHBondContact O-N 3.31Å; I192-F214 HydrophobicContact CD1-CE2 3.8Å; I192-F214 HydrophobicContact CD1-CZ 3.79Å; I192-V222 HydrophobicContact CD1-CB 4.37Å; I192-V222 HydrophobicContact CD1-CG2 3.26Å; I192-M259 HydrophobicContact CG2-CE 4.32Å; I192-L260 HydrophobicContact CG1-CD2 4.03Å
193N62.4Low61.7Low70 Ų7086.6 Ų86.637%0.37443%0.432SS..  trans-71.3127.5165.5-80.7-32000109.6D195 N261N193-D195 PolarHBondContact O-N 2.9Å; N193-N261 VanDerWaalsContact CG-OD1 3.22Å; N193-N261 PolarHBondContact ND2-OD1 3.37Å; N193-N261 PolarHBondContact OD1-ND2 3.11Å; N193-N261 PolarHBondContact OD1-OD1 3.23Å; N193-N261 VanDerWaalsContact OD1-OD1 3.09Å
194P55.7Low61.7Low102 Ų10283.9 Ų83.966%0.66242%0.424SS*.SBendtrans-66.8-18.6-179.124.8-31.6000113.5W196P194-W196 VanDerWaalsContact C-N 3.32Å; P194-W196 PolarHBondContact O-N 2.79Å; P194-W196 VanDerWaalsContact O-N 3.15Å
195D57.6Low62.4Low140 Ų14084.5 Ų84.575%0.74943%0.431SS*.  trans-91.646-170.7-59.9-26.4000114.1N193N193-D195 PolarHBondContact O-N 2.9Å
196W61.1Low63.6Low77 Ų7775.5 Ų75.529%0.29239%0.392SS..  trans-93.4111.5-17871.3-85.4000111.3P194 F198 M201 F210 M259P194-W196 VanDerWaalsContact C-N 3.32Å; P194-W196 PolarHBondContact O-N 2.79Å; P194-W196 VanDerWaalsContact O-N 3.15Å; W196-F198 HydrophobicContact CE3-CE2 4.41Å; W196-F198 HydrophobicContact CE3-CZ 4.42Å; W196-F198 AromaticContact CH2-CE2 3.78Å; W196-F198 HydrophobicContact CH2-CE2 3.78Å; W196-F198 AromaticContact CH2-CZ 3.85Å; W196-F198 HydrophobicContact CH2-CZ 3.85Å; W196-F198 HydrophobicContact CZ3-CD1 4.22Å; W196-F198 AromaticContact CZ3-CD2 3.8Å; W196-F198 HydrophobicContact CZ3-CD2 3.8Å; W196-F198 AromaticContact CZ3-CE1 3.76Å; W196-F198 HydrophobicContact CZ3-CE1 3.76Å; W196-F198 AromaticContact CZ3-CE2 3.31Å; W196-F198 HydrophobicContact CZ3-CE2 3.31Å; W196-F198 HydrophobicContact CZ3-CG 4.26Å; W196-F198 AromaticContact CZ3-CZ 3.31Å; W196-F198 HydrophobicContact CZ3-CZ 3.31Å; W196-M201 HydrophobicContact CB-CE 3.35Å; W196-M201 HydrophobicContact CB-SD 4.26Å; W196-F210 HydrophobicContact CE3-CE1 4.5Å; W196-F210 HydrophobicContact CZ3-CE1 4.29Å; W196-M259 HydrophobicContact CB-CE 3.76Å; W196-M259 HydrophobicContact CD2-CE 3.48Å; W196-M259 VanDerWaalsContact CD2-CE 3.48Å; W196-M259 HydrophobicContact CE3-CE 4.01Å; W196-M259 HydrophobicContact CG-CE 3.34Å
197N65.7Low65Low89 Ų8974.1 Ų74.148%0.47639%0.387SS..  trans-116129.6167.4-86.6-4.3000108.7E199 K200 M201N197-E199 VanDerWaalsContact C-N 3.29Å; N197-E199 PolarHBondContact O-N 3.27Å; N197-K200 HydrophobicContact CB-CB 4.12Å; N197-K200 HydrophobicContact CB-CD 4.14Å; N197-K200 HydrophobicContact CB-CG 3.97Å; N197-K200 WeakPolarHBondContact O-CB 3.46Å; N197-K200 PolarHBondContact O-N 3.4Å; N197-M201 WeakPolarHBondContact O-CG 3.33Å; N197-M201 PolarHBondContact O-N 3.23Å
198F64.6Low67Low43 Ų4375.8 Ų75.819%0.18938%0.384CS..Hα-helixtrans-56.2-41.7179.8-70.5-72.1000113.1W196 K200 M201 G202 I203 D207 F210W196-F198 HydrophobicContact CE3-CE2 4.41Å; W196-F198 HydrophobicContact CE3-CZ 4.42Å; W196-F198 AromaticContact CH2-CE2 3.78Å; W196-F198 HydrophobicContact CH2-CE2 3.78Å; W196-F198 AromaticContact CH2-CZ 3.85Å; W196-F198 HydrophobicContact CH2-CZ 3.85Å; W196-F198 HydrophobicContact CZ3-CD1 4.22Å; W196-F198 AromaticContact CZ3-CD2 3.8Å; W196-F198 HydrophobicContact CZ3-CD2 3.8Å; W196-F198 AromaticContact CZ3-CE1 3.76Å; W196-F198 HydrophobicContact CZ3-CE1 3.76Å; W196-F198 AromaticContact CZ3-CE2 3.31Å; W196-F198 HydrophobicContact CZ3-CE2 3.31Å; W196-F198 HydrophobicContact CZ3-CG 4.26Å; W196-F198 AromaticContact CZ3-CZ 3.31Å; W196-F198 HydrophobicContact CZ3-CZ 3.31Å; F198-K200 VanDerWaalsContact C-N 3.34Å; F198-K200 PolarHBondContact O-N 3.49Å; F198-M201 CarbonylContact O-C 3.56Å; F198-M201 WeakPolarHBondContact O-CA 3.19Å; F198-M201 WeakPolarHBondContact O-CB 3.25Å; F198-M201 PolarHBondContact O-N 3.04Å; F198-G202 PolarHBondContact O-N 3.43Å; F198-I203 PolarHBondContact O-N 3.02Å; F198-D207 HydrophobicContact CE2-CB 4.47Å; F198-D207 HydrophobicContact CZ-CB 4.43Å; F198-F210 HydrophobicContact CE1-CB 3.89Å; F198-F210 AromaticContact CE1-CD1 3.38Å; F198-F210 HydrophobicContact CE1-CD1 3.38Å; F198-F210 AromaticContact CE1-CE1 4Å; F198-F210 HydrophobicContact CE1-CE1 4Å; F198-F210 AromaticContact CE1-CG 3.7Å; F198-F210 HydrophobicContact CE1-CG 3.7Å; F198-F210 HydrophobicContact CZ-CB 4.37Å; F198-F210 AromaticContact CZ-CD1 3.78Å; F198-F210 HydrophobicContact CZ-CD1 3.78Å; F198-F210 HydrophobicContact CZ-CE1 4.48Å; F198-F210 HydrophobicContact CZ-CG 4.36Å
199E63.7Low68.7Low169 Ų16973.9 Ų73.979%0.7938%0.376SS*.Hα-helixtrans-59.6-44.1175.3-65.5-178.6169.400111.8N197 M201 G202N197-E199 VanDerWaalsContact C-N 3.29Å; N197-E199 PolarHBondContact O-N 3.27Å; E199-M201 PolarHBondContact O-N 3.03Å; E199-G202 PolarHBondContact O-N 3.38Å; E199-G202 VanDerWaalsContact O-N 3.17Å
200K65.9Low70.2Confident173 Ų17363.1 Ų63.175%0.75234%0.335SS*.Hα-helixtrans-68-27.8176.5-66.7-173.4179.9176.60112.1N197 F198 G202N197-K200 HydrophobicContact CB-CB 4.12Å; N197-K200 HydrophobicContact CB-CD 4.14Å; N197-K200 HydrophobicContact CB-CG 3.97Å; N197-K200 WeakPolarHBondContact O-CB 3.46Å; N197-K200 PolarHBondContact O-N 3.4Å; F198-K200 VanDerWaalsContact C-N 3.34Å; F198-K200 PolarHBondContact O-N 3.49Å; K200-G202 VanDerWaalsContact C-N 3.3Å
201M67.1Low71.6Confident29 Ų2962.6 Ų62.614%0.14333%0.332CS..Hα-helixtrans-81-10.3176.6-70-177.3167.300113.1W196 N197 F198 E199 I203 Q255 M259W196-M201 HydrophobicContact CB-CE 3.35Å; W196-M201 HydrophobicContact CB-SD 4.26Å; N197-M201 WeakPolarHBondContact O-CG 3.33Å; N197-M201 PolarHBondContact O-N 3.23Å; F198-M201 CarbonylContact O-C 3.56Å; F198-M201 WeakPolarHBondContact O-CA 3.19Å; F198-M201 WeakPolarHBondContact O-CB 3.25Å; F198-M201 PolarHBondContact O-N 3.04Å; E199-M201 PolarHBondContact O-N 3.03Å; M201-I203 VanDerWaalsContact C-N 3.25Å; M201-I203 HydrophobicContact CB-CG1 4.37Å; M201-I203 PolarHBondContact O-N 3.17Å; M201-Q255 VanDerWaalsContact O-CD 3.24Å; M201-Q255 PolarHBondContact O-NE2 2.79Å; M201-M259 HydrophobicContact CE-CB 3.92Å; M201-M259 HydrophobicContact CE-CG 3.85Å
202G73.4Confident72.7Confident24 Ų2461.9 Ų61.925%0.24733%0.332CS..THydrogen-bonded Turntrans64.529.5-178.400000113.1F198 E199 K200F198-G202 PolarHBondContact O-N 3.43Å; E199-G202 PolarHBondContact O-N 3.38Å; E199-G202 VanDerWaalsContact O-N 3.17Å; K200-G202 VanDerWaalsContact C-N 3.3Å
203I79.2Confident73.9Confident7 Ų760.9 Ų60.94%0.03633%0.327CS..  trans-103.7120.8170.2-55.6176.5000106.9F198 M201 L206 F210 L251 Q255F198-I203 PolarHBondContact O-N 3.02Å; M201-I203 VanDerWaalsContact C-N 3.25Å; M201-I203 HydrophobicContact CB-CG1 4.37Å; M201-I203 PolarHBondContact O-N 3.17Å; I203-L206 HydrophobicContact CG2-CB 3.99Å; I203-L206 HydrophobicContact CG2-CD1 4.37Å; I203-F210 HydrophobicContact CD1-CD2 4.24Å; I203-F210 HydrophobicContact CD1-CE2 4.21Å; I203-L251 HydrophobicContact CG1-CD2 3.65Å; I203-Q255 HydrophobicContact CD1-CB 3.76Å; I203-Q255 HydrophobicContact CD1-CG 3.98Å; I203-Q255 HydrophobicContact CG1-CB 4.37Å; I203-Q255 HydrophobicContact CG1-CG 4.03Å
204G77.8Confident75Confident8 Ų859.9 Ų59.98%0.08232%0.319CS..  trans-117.1141.9172.500000110.9L206G204-L206 VanDerWaalsContact C-N 3.32Å; G204-L206 PolarHBondContact O-N 3.21Å
205G78Confident76.3Confident18 Ų1863.7 Ų63.719%0.18632%0.32CS..SBendtrans78.74.2169.100000116.5
206L82Confident77.7Confident17 Ų1762.6 Ų62.69%0.08931%0.306CS..  trans-119.823.7-175.1-62.3176.5000112.7I203 G204 N208 E209 F210 I378I203-L206 HydrophobicContact CG2-CB 3.99Å; I203-L206 HydrophobicContact CG2-CD1 4.37Å; G204-L206 VanDerWaalsContact C-N 3.32Å; G204-L206 PolarHBondContact O-N 3.21Å; L206-N208 VanDerWaalsContact C-N 3.29Å; L206-N208 PolarHBondContact O-N 2.94Å; L206-E209 WeakPolarHBondContact CA-OE2 3.41Å; L206-E209 PolarHBondContact O-N 3.2Å; L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.48Å; L206-F210 PolarHBondContact O-N 3.12Å; L206-I378 HydrophobicContact CD1-CG2 3.94Å; L206-I378 HydrophobicContact CD2-CG2 3.77Å
207D81.7Confident78.8Confident46 Ų4659 Ų5925%0.24629%0.293CS..Hα-helixtrans-62.8-38.3-172.3-57.6-21.6000111.6F198 S211 Q388F198-D207 HydrophobicContact CE2-CB 4.47Å; F198-D207 HydrophobicContact CZ-CB 4.43Å; D207-S211 WeakPolarHBondContact O-CB 3.42Å; D207-S211 PolarHBondContact O-N 3.35Å; D207-S211 PolarHBondContact O-OG 3.31Å; D207-Q388 PolarHBondContact OD2-NE2 3.17Å
208N84.9Confident79.6Confident126 Ų12654.8 Ų54.867%0.67427%0.27SS*.Hα-helixtrans-69.7-47.7-179.7-69.5-35.1000111.5L206 S211 A212L206-N208 VanDerWaalsContact C-N 3.29Å; L206-N208 PolarHBondContact O-N 2.94Å; N208-S211 PolarHBondContact O-N 2.7Å; N208-A212 WeakPolarHBondContact O-CB 3.38Å; N208-A212 PolarHBondContact O-N 3.29Å
209E86.8Confident80.5Confident56 Ų5654.3 Ų54.326%0.26227%0.274SS..Hα-helixtrans-64.1-44.2179.1-67.272-162.100110.4L206 A212 I213 M252 M376L206-E209 WeakPolarHBondContact CA-OE2 3.41Å; L206-E209 PolarHBondContact O-N 3.2Å; E209-A212 PolarHBondContact O-N 3.25Å; E209-I213 WeakPolarHBondContact O-CG1 3.48Å; E209-I213 PolarHBondContact O-N 3.31Å; E209-M252 HydrophobicContact CB-CE 4.29Å; E209-M376 HydrophobicContact CB-CE 4.04Å; E209-M376 HydrophobicContact CG-CE 4.3Å
210F85.3Confident81.3Confident3 Ų347 Ų471%0.01324%0.242CC..Hα-helixtrans-64.9-45.5177.6-169.5-88000111.6W196 F198 I203 L206 A212 I213 F214 M252 I256 M259W196-F210 HydrophobicContact CE3-CE1 4.5Å; W196-F210 HydrophobicContact CZ3-CE1 4.29Å; F198-F210 HydrophobicContact CE1-CB 3.89Å; F198-F210 AromaticContact CE1-CD1 3.38Å; F198-F210 HydrophobicContact CE1-CD1 3.38Å; F198-F210 AromaticContact CE1-CE1 4Å; F198-F210 HydrophobicContact CE1-CE1 4Å; F198-F210 AromaticContact CE1-CG 3.7Å; F198-F210 HydrophobicContact CE1-CG 3.7Å; F198-F210 HydrophobicContact CZ-CB 4.37Å; F198-F210 AromaticContact CZ-CD1 3.78Å; F198-F210 HydrophobicContact CZ-CD1 3.78Å; F198-F210 HydrophobicContact CZ-CE1 4.48Å; F198-F210 HydrophobicContact CZ-CG 4.36Å; I203-F210 HydrophobicContact CD1-CD2 4.24Å; I203-F210 HydrophobicContact CD1-CE2 4.21Å; L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.48Å; L206-F210 PolarHBondContact O-N 3.12Å; F210-A212 VanDerWaalsContact C-N 3.27Å; F210-A212 PolarHBondContact O-N 2.88Å; F210-I213 PolarHBondContact O-N 3.41Å; F210-F214 WeakPolarHBondContact O-CB 3.33Å; F210-F214 PolarHBondContact O-N 2.94Å; F210-M252 HydrophobicContact CB-CE 3.73Å; F210-M252 HydrophobicContact CD2-CE 3.76Å; F210-M252 HydrophobicContact CD2-CG 4.4Å; F210-M252 HydrophobicContact CG-CE 4.22Å; F210-I256 HydrophobicContact CD2-CG1 4.44Å; F210-I256 HydrophobicContact CE2-CD1 4.49Å; F210-I256 HydrophobicContact CE2-CG1 3.72Å; F210-I256 HydrophobicContact CZ-CG1 4.49Å; F210-M259 HydrophobicContact CE1-CE 4.23Å; F210-M259 HydrophobicContact CE1-SD 4.13Å; F210-M259 HydrophobicContact CZ-CE 4.36Å; F210-M259 HydrophobicContact CZ-SD 3.7Å
211S84.1Confident81.9Confident56 Ų5639.5 Ų39.539%0.39221%0.209SC..Hα-helixtrans-61.5-37.4176-62.30000111.9D207 N208 F214 R215D207-S211 WeakPolarHBondContact O-CB 3.42Å; D207-S211 PolarHBondContact O-N 3.35Å; D207-S211 PolarHBondContact O-OG 3.31Å; N208-S211 PolarHBondContact O-N 2.7Å; S211-F214 PolarHBondContact O-N 3.47Å; S211-R215 WeakPolarHBondContact O-CB 3.27Å; S211-R215 PolarHBondContact O-N 2.94Å
212A87.9Confident82.5Confident25 Ų2541.3 Ų41.321%0.20722%0.221CC..Hα-helixtrans-65.5-43.117500000112.2N208 E209 F210 R216 M376N208-A212 WeakPolarHBondContact O-CB 3.38Å; N208-A212 PolarHBondContact O-N 3.29Å; E209-A212 PolarHBondContact O-N 3.25Å; F210-A212 VanDerWaalsContact C-N 3.27Å; F210-A212 PolarHBondContact O-N 2.88Å; A212-R216 WeakPolarHBondContact O-CB 3.43Å; A212-R216 VanDerWaalsContact O-CG 3.29Å; A212-R216 WeakPolarHBondContact O-CG 3.44Å; A212-R216 PolarHBondContact O-N 2.61Å; A212-M376 HydrophobicContact CB-CE 3.99Å
213I87.4Confident82.7Confident1 Ų145.2 Ų45.21%0.00523%0.232CC..Hα-helixtrans-61.5-47.5173-69.7171.7000110.2E209 F210 R215 R216 A217 F218 I239 L241 M252 I256 M376E209-I213 WeakPolarHBondContact O-CG1 3.48Å; E209-I213 PolarHBondContact O-N 3.31Å; F210-I213 PolarHBondContact O-N 3.41Å; I213-R215 PolarHBondContact O-N 3.43Å; I213-R216 PolarHBondContact O-N 2.98Å; I213-A217 HydrophobicContact CG2-CB 4.35Å; I213-A217 WeakPolarHBondContact O-CB 3.33Å; I213-A217 PolarHBondContact O-N 2.87Å; I213-F218 HydrophobicContact CG2-CE2 3.94Å; I213-I239 HydrophobicContact CG2-CD1 3.96Å; I213-L241 HydrophobicContact CD1-CD2 3.75Å; I213-M252 HydrophobicContact CD1-CE 3.54Å; I213-M252 HydrophobicContact CD1-SD 3.97Å; I213-I256 HydrophobicContact CG2-CD1 4.35Å; I213-M376 HydrophobicContact CD1-CB 4.24Å; I213-M376 HydrophobicContact CD1-CG 3.87Å; I213-M376 HydrophobicContact CG1-CB 4.41Å; I213-M376 HydrophobicContact CG1-CE 4.39Å; I213-M376 HydrophobicContact CG1-CG 3.51Å; I213-M376 HydrophobicContact CG1-SD 4.29Å
214F84.5Confident82.4Confident49 Ų4948 Ų4822%0.21525%0.25CC..Iπ-helixtrans-59.9-47.6-177.1-173.9-89.6000111.9I192 F210 S211 R216 F218 A219 V222 M259I192-F214 HydrophobicContact CD1-CE2 3.8Å; I192-F214 HydrophobicContact CD1-CZ 3.79Å; F210-F214 WeakPolarHBondContact O-CB 3.33Å; F210-F214 PolarHBondContact O-N 2.94Å; S211-F214 PolarHBondContact O-N 3.47Å; F214-R216 PolarHBondContact O-N 3.18Å; F214-F218 HydrophobicContact CB-CD2 4.31Å; F214-F218 HydrophobicContact CD2-CB 4.05Å; F214-F218 AromaticContact CD2-CD2 3.75Å; F214-F218 HydrophobicContact CD2-CD2 3.75Å; F214-F218 HydrophobicContact CD2-CG 4.33Å; F214-F218 HydrophobicContact CE2-CB 4.19Å; F214-F218 HydrophobicContact CE2-CD2 4.47Å; F214-F218 HydrophobicContact CG-CB 4.43Å; F214-F218 HydrophobicContact CG-CD2 4.32Å; F214-F218 WeakPolarHBondContact O-CA 3.27Å; F214-F218 WeakPolarHBondContact O-CB 3.29Å; F214-F218 PolarHBondContact O-N 3.48Å; F214-A219 PolarHBondContact O-N 3.49Å; F214-A219 VanDerWaalsContact O-N 3.12Å; F214-V222 HydrophobicContact CZ-CG2 4.4Å; F214-M259 HydrophobicContact CD2-CE 4.07Å; F214-M259 HydrophobicContact CD2-SD 4.37Å; F214-M259 HydrophobicContact CE2-CE 3.79Å; F214-M259 HydrophobicContact CE2-SD 4.37Å
215R84.4Confident82.1Confident181 Ų18149.4 Ų49.468%0.68326%0.258SS*.Iπ-helixtrans-62.5-39.4176.2-175.1178.261.2145.7-1.4112.9S211 I213 A219S211-R215 WeakPolarHBondContact O-CB 3.27Å; S211-R215 PolarHBondContact O-N 2.94Å; I213-R215 PolarHBondContact O-N 3.43Å; R215-A219 WeakPolarHBondContact O-CB 3.47Å
216R85.7Confident81.9Confident117 Ų11753.8 Ų53.844%0.44228%0.277SS..Iπ-helixtrans-83.4-41.9-175.3-70.5179.568.9-172.5-0.5113.4A212 I213 F214 V374A212-R216 WeakPolarHBondContact O-CB 3.43Å; A212-R216 VanDerWaalsContact O-CG 3.29Å; A212-R216 WeakPolarHBondContact O-CG 3.44Å; A212-R216 PolarHBondContact O-N 2.61Å; I213-R216 PolarHBondContact O-N 2.98Å; F214-R216 PolarHBondContact O-N 3.18Å; R216-V374 HydrophobicContact CB-CG2 4.17Å
217A84.6Confident81.8Confident2 Ų257.2 Ų57.22%0.01729%0.291CS..Iπ-helixtrans-95.9-41.6-173.300000112.9I213 V236 I239I213-A217 HydrophobicContact CG2-CB 4.35Å; I213-A217 WeakPolarHBondContact O-CB 3.33Å; I213-A217 PolarHBondContact O-N 2.87Å; A217-V236 HydrophobicContact CB-CG1 4.48Å; A217-I239 HydrophobicContact CB-CD1 3.8Å; A217-I239 HydrophobicContact CB-CG1 4.25Å
218F83Confident81.7Confident1 Ų155.4 Ų55.40%0.00428%0.281CS..Iπ-helixtrans-97.1-21.1-170.3-57.6-50.1000114.4I213 F214 S220 R221 V222 I239 I256 L260 L351I213-F218 HydrophobicContact CG2-CE2 3.94Å; F214-F218 HydrophobicContact CB-CD2 4.31Å; F214-F218 HydrophobicContact CD2-CB 4.05Å; F214-F218 AromaticContact CD2-CD2 3.75Å; F214-F218 HydrophobicContact CD2-CD2 3.75Å; F214-F218 HydrophobicContact CD2-CG 4.33Å; F214-F218 HydrophobicContact CE2-CB 4.19Å; F214-F218 HydrophobicContact CE2-CD2 4.47Å; F214-F218 HydrophobicContact CG-CB 4.43Å; F214-F218 HydrophobicContact CG-CD2 4.32Å; F214-F218 WeakPolarHBondContact O-CA 3.27Å; F214-F218 WeakPolarHBondContact O-CB 3.29Å; F214-F218 PolarHBondContact O-N 3.48Å; F218-S220 PolarHBondContact O-N 3.33Å; F218-R221 WeakPolarHBondContact O-CA 3.46Å; F218-R221 PolarHBondContact O-N 3.49Å; F218-V222 WeakPolarHBondContact O-CG2 3.14Å; F218-V222 PolarHBondContact O-N 3.28Å; F218-V222 VanDerWaalsContact O-N 3.15Å; F218-I239 HydrophobicContact CZ-CD1 4.18Å; F218-I256 HydrophobicContact CE1-CG2 4.49Å; F218-I256 HydrophobicContact CE2-CG2 3.93Å; F218-I256 HydrophobicContact CZ-CG2 3.47Å; F218-I256 VanDerWaalsContact CZ-CG2 3.47Å; F218-L260 HydrophobicContact CD1-CD1 4.17Å; F218-L260 HydrophobicContact CD1-CD2 3.95Å; F218-L260 HydrophobicContact CE1-CD1 3.48Å; F218-L260 VanDerWaalsContact CE1-CD1 3.48Å; F218-L260 HydrophobicContact CE1-CD2 4.1Å; F218-L260 HydrophobicContact CE1-CG 4.37Å; F218-L260 HydrophobicContact CG-CD2 4.34Å; F218-L260 HydrophobicContact CZ-CD1 3.76Å; F218-L351 HydrophobicContact CE1-CD2 3.69Å; F218-L351 HydrophobicContact CZ-CD2 4.05Å
219A82.1Confident81.4Confident33 Ų3355.1 Ų55.127%0.27328%0.276SS..Hα-helixtrans-50.5-45.7177.100000112.3F214 R215 R221 V222 F223F214-A219 PolarHBondContact O-N 3.49Å; F214-A219 VanDerWaalsContact O-N 3.12Å; R215-A219 WeakPolarHBondContact O-CB 3.47Å; A219-R221 PolarHBondContact O-N 2.87Å; A219-V222 PolarHBondContact O-N 2.98Å; A219-F223 WeakPolarHBondContact O-CD2 3.19Å
220S81.5Confident81Confident16 Ų1660 Ų6011%0.11230%0.299CS..Hα-helixtrans-61.4-26.5177.869.60000113.9F218 I228 H235F218-S220 PolarHBondContact O-N 3.33Å; S220-I228 WeakPolarHBondContact O-CD1 3.25Å; S220-I228 WeakPolarHBondContact O-CG1 3.2Å; S220-H235 WeakPolarHBondContact CB-ND1 3.4Å; S220-H235 PolarHBondContact O-CE1 3.08Å; S220-H235 PolarHBondContact OG-ND1 3.04Å
221R78.8Confident81.1Confident15 Ų1564.3 Ų64.36%0.05732%0.322CS..Hα-helixtrans-92.5-11.4-177.9-59.1-173.7-174.6-90.95.9113.2I191 F218 A219 V236 N348 I350I191-R221 HydrophobicContact CD1-CB 4.34Å; F218-R221 WeakPolarHBondContact O-CA 3.46Å; F218-R221 PolarHBondContact O-N 3.49Å; A219-R221 PolarHBondContact O-N 2.87Å; R221-V236 PolarHBondContact NH2-O 3.34Å; R221-N348 PolarHBondContact NH1-O 3.27Å; R221-I350 PolarHBondContact NH2-O 2.91Å; R221-I350 VanDerWaalsContact NH2-O 3.11Å
222V79.9Confident81Confident66 Ų6664.6 Ų64.640%0.433%0.333SS..Hα-helixtrans-81.4-36176.7-173.60000110.7I192 F214 F218 A219I192-V222 HydrophobicContact CD1-CB 4.37Å; I192-V222 HydrophobicContact CD1-CG2 3.26Å; F214-V222 HydrophobicContact CZ-CG2 4.4Å; F218-V222 WeakPolarHBondContact O-CG2 3.14Å; F218-V222 PolarHBondContact O-N 3.28Å; F218-V222 VanDerWaalsContact O-N 3.15Å; A219-V222 PolarHBondContact O-N 2.98Å
223F76.7Confident80.6Confident107 Ų10768 Ų6847%0.46935%0.347SS..SBendtrans-77.6150.9-179.5-68-74.5000112A219 F227 I228A219-F223 WeakPolarHBondContact O-CD2 3.19Å; F223-F227 HydrophobicContact CB-CD1 4.08Å; F223-F227 HydrophobicContact CD1-CD1 4.34Å; F223-F227 HydrophobicContact CD1-CE1 4.44Å; F223-F227 HydrophobicContact CG-CD1 4.25Å; F223-I228 HydrophobicContact CB-CD1 4.02Å; F223-I228 HydrophobicContact CB-CG1 4.27Å
224P73.2Confident80.3Confident65 Ų6574.5 Ų74.542%0.42238%0.376SS..  trans-56.8143.6176.2-2433.8000112.2D226 F227 I228P224-D226 VanDerWaalsContact C-N 3.28Å; P224-D226 PolarHBondContact O-N 3.17Å; P224-F227 WeakPolarHBondContact O-CB 3.38Å; P224-F227 PolarHBondContact O-N 3.45Å; P224-I228 PolarHBondContact O-N 2.75Å
225P71.7Confident80.4Confident38 Ų3874.1 Ų74.125%0.24737%0.374CS..Hα-helixtrans-58.9-39.1-17723.5-33.4000112.3F227 I228 E229 I301P225-F227 PolarHBondContact O-N 2.72Å; P225-I228 WeakPolarHBondContact O-CB 3.02Å; P225-I228 PolarHBondContact O-N 3.12Å; P225-E229 WeakPolarHBondContact O-CG 3.09Å; P225-E229 PolarHBondContact O-N 2.76Å; P225-I301 HydrophobicContact CB-CG2 4.12Å
226D74.2Confident80.5Confident109 Ų10966.1 Ų66.158%0.58335%0.346SS*.Hα-helixtrans-56.9-36.2178-54.8-19.4000112.5P224 Q230P224-D226 VanDerWaalsContact C-N 3.28Å; P224-D226 PolarHBondContact O-N 3.17Å; D226-Q230 VanDerWaalsContact O-CG 3.24Å; D226-Q230 WeakPolarHBondContact O-CG 3.42Å; D226-Q230 PolarHBondContact O-N 2.86Å
227F79.4Confident80.6Confident90 Ų9061.8 Ų61.840%0.39533%0.329SS..Hα-helixtrans-74.1-37.8178-176.6-104.7000111.6F223 P224 P225 Q230 L231F223-F227 HydrophobicContact CB-CD1 4.08Å; F223-F227 HydrophobicContact CD1-CD1 4.34Å; F223-F227 HydrophobicContact CD1-CE1 4.44Å; F223-F227 HydrophobicContact CG-CD1 4.25Å; P224-F227 WeakPolarHBondContact O-CB 3.38Å; P224-F227 PolarHBondContact O-N 3.45Å; P225-F227 PolarHBondContact O-N 2.72Å; F227-Q230 PolarHBondContact O-N 3.33Å; F227-L231 HydrophobicContact CD1-CD1 3.91Å; F227-L231 HydrophobicContact CE1-CD1 3.43Å; F227-L231 VanDerWaalsContact CE1-CD1 3.43Å; F227-L231 HydrophobicContact CE1-CG 4.34Å; F227-L231 HydrophobicContact CZ-CD1 3.87Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.35Å; F227-L231 PolarHBondContact O-N 3.28Å; F227-L231 VanDerWaalsContact O-N 3.16Å
228I80.7Confident80.8Confident8 Ų861.7 Ų61.74%0.04133%0.328CS..Hα-helixtrans-67.2-40.1176.5-64.1-60.4000111.3S220 F223 P224 P225 L231 G232 L233S220-I228 WeakPolarHBondContact O-CD1 3.25Å; S220-I228 WeakPolarHBondContact O-CG1 3.2Å; F223-I228 HydrophobicContact CB-CD1 4.02Å; F223-I228 HydrophobicContact CB-CG1 4.27Å; P224-I228 PolarHBondContact O-N 2.75Å; P225-I228 WeakPolarHBondContact O-CB 3.02Å; P225-I228 PolarHBondContact O-N 3.12Å; I228-L231 PolarHBondContact O-N 3.11Å; I228-G232 PolarHBondContact O-N 2.96Å; I228-L233 HydrophobicContact CG2-CB 4.14Å; I228-L233 VanDerWaalsContact CG2-O 3.28Å; I228-L233 WeakPolarHBondContact CG2-O 3.46Å; I228-L233 PolarHBondContact O-N 3.47Å
229E77.3Confident81.3Confident119 Ų11961.6 Ų61.656%0.55633%0.328SS*.Hα-helixtrans-62.8-42.3174.9-73.4-176.1-177.800111.6P225 L231 G232P225-E229 WeakPolarHBondContact O-CG 3.09Å; P225-E229 PolarHBondContact O-N 2.76Å; E229-L231 VanDerWaalsContact C-N 3.27Å; E229-L231 PolarHBondContact O-N 3.48Å; E229-G232 PolarHBondContact O-N 3.25Å
230Q79.3Confident81.9Confident158 Ų15860 Ų6074%0.73832%0.315SS*.Hα-helixtrans-60.9-35.2174.4-74.717119.200112.9D226 F227 G232D226-Q230 VanDerWaalsContact O-CG 3.24Å; D226-Q230 WeakPolarHBondContact O-CG 3.42Å; D226-Q230 PolarHBondContact O-N 2.86Å; F227-Q230 PolarHBondContact O-N 3.33Å; Q230-G232 VanDerWaalsContact C-N 3.31Å
231L86.2Confident82.5Confident95 Ų9559.3 Ų59.350%0.49731%0.31SS..Hα-helixtrans-80-11.2176-67.5174.8000113.4F227 I228 E229 L233F227-L231 HydrophobicContact CD1-CD1 3.91Å; F227-L231 HydrophobicContact CE1-CD1 3.43Å; F227-L231 VanDerWaalsContact CE1-CD1 3.43Å; F227-L231 HydrophobicContact CE1-CG 4.34Å; F227-L231 HydrophobicContact CZ-CD1 3.87Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.35Å; F227-L231 PolarHBondContact O-N 3.28Å; F227-L231 VanDerWaalsContact O-N 3.16Å; I228-L231 PolarHBondContact O-N 3.11Å; E229-L231 VanDerWaalsContact C-N 3.27Å; E229-L231 PolarHBondContact O-N 3.48Å; L231-L233 HydrophobicContact CB-CB 4.45Å; L231-L233 HydrophobicContact CB-CD1 3.88Å; L231-L233 HydrophobicContact CB-CG 3.8Å; L231-L233 HydrophobicContact CD1-CD1 3.72Å; L231-L233 HydrophobicContact CG-CD1 4.46Å; L231-L233 PolarHBondContact O-N 3.41Å
232G82.2Confident83.2Confident61 Ų6160.1 Ų60.163%0.62931%0.313SS*.THydrogen-bonded Turntrans63.322.2-174.300000113.6I228 E229 Q230I228-G232 PolarHBondContact O-N 2.96Å; E229-G232 PolarHBondContact O-N 3.25Å; Q230-G232 VanDerWaalsContact C-N 3.31Å
233L80.6Confident83.5Confident96 Ų9657.3 Ų57.350%0.50330%0.298SS..PPolyproline II helixtrans-80.8133.6-177.4-71.6173.5000110.7I228 L231I228-L233 HydrophobicContact CG2-CB 4.14Å; I228-L233 VanDerWaalsContact CG2-O 3.28Å; I228-L233 WeakPolarHBondContact CG2-O 3.46Å; I228-L233 PolarHBondContact O-N 3.47Å; L231-L233 HydrophobicContact CB-CB 4.45Å; L231-L233 HydrophobicContact CB-CD1 3.88Å; L231-L233 HydrophobicContact CB-CG 3.8Å; L231-L233 HydrophobicContact CD1-CD1 3.72Å; L231-L233 HydrophobicContact CG-CD1 4.46Å; L231-L233 PolarHBondContact O-N 3.41Å
234K81.2Confident83.8Confident139 Ų13952.5 Ų52.560%0.60428%0.277SS*.PPolyproline II helixtrans-91.7139.3170.5-62.5-170.9-178.3-164.90109.9
235H84.9Confident84.3Confident41 Ų4153.3 Ų53.319%0.1928%0.282CS..PPolyproline II helixtrans-67.4143.9173.8-62.1-61.9000111.2S220 R237S220-H235 WeakPolarHBondContact CB-ND1 3.4Å; S220-H235 PolarHBondContact O-CE1 3.08Å; S220-H235 PolarHBondContact OG-ND1 3.04Å; H235-R237 PolarHBondContact O-N 2.89Å
236V87.8Confident84.9Confident13 Ų1352.9 Ų52.98%0.07929%0.285CS..PPolyproline II helixtrans-64.9126.9172.5177.80000109.3A217 R221 V374A217-V236 HydrophobicContact CB-CG1 4.48Å; R221-V236 PolarHBondContact NH2-O 3.34Å; V236-V374 HydrophobicContact CG1-CG2 3.88Å; V236-V374 HydrophobicContact CG2-CG2 4.48Å
237R86.6Confident85.4Confident25 Ų2548.2 Ų48.29%0.09426%0.26CS..  trans-91.9-26.9-179.1-65.7-172.817816011.4113.7H235 I341 Q346 L351 V352H235-R237 PolarHBondContact O-N 2.89Å; R237-I341 HydrophobicContact CB-CG2 4.36Å; R237-I341 WeakPolarHBondContact CD-O 3.3Å; R237-I341 PolarHBondContact NH1-O 3.25Å; R237-Q346 VanDerWaalsContact NH2-CG 3.28Å; R237-L351 CarbonylContact O-C 3.5Å; R237-L351 WeakPolarHBondContact O-CA 3.39Å; R237-V352 PolarHBondContact O-N 3.05Å
238G90.5Very high85.7Confident0 Ų045.2 Ų45.20%026%0.255CS..EExtended strand (participates in β ladder)trans-145.7137.6-168.900000114.8V352 R371 E373 V374G238-V352 CarbonylContact C-O 3.57Å; G238-V352 WeakPolarHBondContact CA-O 3.37Å; G238-R371 WeakPolarHBondContact CA-O 3.41Å; G238-R371 PolarHBondContact N-O 2.87Å; G238-R371 VanDerWaalsContact N-O 3.14Å; G238-E373 PolarHBondContact O-N 2.91Å; G238-V374 PolarHBondContact O-N 3.34Å
239I93.3Very high86.1Confident0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-121.2133.7173.9-57.2168.5000107.7I213 A217 F218 L241 L351 V352 I353 G354 V374I213-I239 HydrophobicContact CG2-CD1 3.96Å; A217-I239 HydrophobicContact CB-CD1 3.8Å; A217-I239 HydrophobicContact CB-CG1 4.25Å; F218-I239 HydrophobicContact CZ-CD1 4.18Å; I239-L241 HydrophobicContact CG2-CD2 3.83Å; I239-L241 HydrophobicContact CG2-CG 4.35Å; I239-L351 HydrophobicContact CD1-CD1 3.98Å; I239-L351 HydrophobicContact CD1-CD2 4.43Å; I239-L351 HydrophobicContact CG1-CD1 4.14Å; I239-V352 PolarHBondContact N-O 3.43Å; I239-I353 CarbonylContact O-C 3.59Å; I239-I353 WeakPolarHBondContact O-CA 3.46Å; I239-G354 PolarHBondContact O-N 3.39Å; I239-V374 CarbonylContact C-O 3.49Å; I239-V374 WeakPolarHBondContact CA-O 3.38Å; I239-V374 HydrophobicContact CG1-CB 4.22Å; I239-V374 HydrophobicContact CG2-CB 4.48Å; I239-V374 HydrophobicContact CG2-CG1 4.3Å
240L94.2Very high86.6Confident0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans-113.1116.5171.7179.868.4000109.5Y242 L313 G354 T356 I362 L367 L372 V374 Q375 M376L240-Y242 HydrophobicContact CG-CD1 4.45Å; L240-L313 HydrophobicContact CD1-CD2 4Å; L240-G354 CarbonylContact C-O 3.58Å; L240-G354 WeakPolarHBondContact CA-O 3.26Å; L240-T356 HydrophobicContact CD1-CG2 4.14Å; L240-I362 HydrophobicContact CD1-CD1 3.77Å; L240-I362 HydrophobicContact CD2-CD1 4.01Å; L240-L367 HydrophobicContact CD2-CD2 3.38Å; L240-L372 HydrophobicContact CB-CB 4.22Å; L240-L372 HydrophobicContact CB-CD1 4.28Å; L240-L372 HydrophobicContact CD1-CD1 4.24Å; L240-V374 PolarHBondContact N-O 2.81Å; L240-Q375 HydrophobicContact CB-CG 4.28Å; L240-Q375 HydrophobicContact CD2-CG 4.32Å; L240-Q375 WeakPolarHBondContact O-CA 3.18Å; L240-M376 PolarHBondContact O-N 3.43Å
241L94.1Very high87Confident0 Ų038.2 Ų38.20%023%0.227CC..EExtended strand (participates in β ladder)trans-97.9121.2171.9-53.5-179.1000108.8I213 I239 M252 A253 I353 G354 M355 T356 M376 I378I213-L241 HydrophobicContact CD1-CD2 3.75Å; I239-L241 HydrophobicContact CG2-CD2 3.83Å; I239-L241 HydrophobicContact CG2-CG 4.35Å; L241-M252 HydrophobicContact CD1-CB 4.39Å; L241-M252 HydrophobicContact CD1-SD 4.22Å; L241-M252 HydrophobicContact CD2-SD 4.26Å; L241-A253 HydrophobicContact CD1-CB 4.2Å; L241-I353 HydrophobicContact CD1-CG2 4.05Å; L241-I353 HydrophobicContact CG-CG2 4.25Å; L241-G354 PolarHBondContact N-O 3.17Å; L241-M355 HydrophobicContact CB-CG 4.32Å; L241-M355 HydrophobicContact CD1-CG 4.43Å; L241-M355 VanDerWaalsContact O-CA 3.32Å; L241-M355 WeakPolarHBondContact O-CA 3.4Å; L241-T356 PolarHBondContact O-N 3.31Å; L241-M376 HydrophobicContact CD2-CB 4.05Å; L241-I378 HydrophobicContact CB-CD1 4.28Å; L241-I378 HydrophobicContact CD1-CD1 4.35Å; L241-I378 HydrophobicContact CD2-CD1 4.38Å
242Y92.2Very high87.1Confident33 Ų3333.7 Ų33.713%0.12920%0.204CC..EExtended strand (participates in β ladder)trans-133.9154.3178.367.3-84000111.9L240 T356 R359 Q375 M376 E377 I378L240-Y242 HydrophobicContact CG-CD1 4.45Å; Y242-T356 VanDerWaalsContact CA-O 3.28Å; Y242-T356 WeakPolarHBondContact CA-O 3.28Å; Y242-T356 VanDerWaalsContact CB-CG2 3.46Å; Y242-R359 HydrophobicContact CD2-CB 3.84Å; Y242-R359 HydrophobicContact CD2-CG 4.37Å; Y242-R359 HydrophobicContact CE2-CB 4.37Å; Y242-R359 VanDerWaalsContact CE2-CD 3.49Å; Y242-R359 HydrophobicContact CG-CB 4.01Å; Y242-R359 HydrophobicContact CG-CG 4.39Å; Y242-R359 VanDerWaalsContact CZ-CD 3.49Å; Y242-R359 PolarHBondContact OH-NH1 3.36Å; Y242-Q375 HydrophobicContact CE1-CB 4.07Å; Y242-M376 VanDerWaalsContact CD1-O 3.27Å; Y242-M376 WeakPolarHBondContact CD1-O 3.26Å; Y242-M376 PolarHBondContact N-O 3.28Å; Y242-E377 HydrophobicContact CD2-CB 4.27Å; Y242-E377 HydrophobicContact CD2-CG 4.11Å; Y242-E377 HydrophobicContact CE1-CB 4.24Å; Y242-E377 HydrophobicContact CE2-CB 3.63Å; Y242-E377 HydrophobicContact CE2-CG 3.66Å; Y242-E377 CarbonylContact O-C 3.42Å; Y242-E377 VanDerWaalsContact O-CA 3.27Å; Y242-E377 WeakPolarHBondContact O-CA 3.49Å; Y242-I378 PolarHBondContact O-N 3.14Å
243G87.3Confident87.4Confident7 Ų730.8 Ų30.87%0.07217%0.174CC..  trans156.6177.4179.300000112.4K249 T356 N357G243-K249 PolarHBondContact O-NZ 2.9Å; G243-T356 PolarHBondContact N-O 3.4Å; G243-N357 WeakPolarHBondContact O-CA 3.43Å
244P83Confident87.6Confident6 Ų632.4 Ų32.44%0.03917%0.173CC..SBendtrans-54.1151.9179-23.433.5000113T247 K249 I378 F475 K577P244-T247 HydrophobicContact CB-CG2 4.05Å; P244-T247 HydrophobicContact CG-CG2 4.4Å; P244-T247 PolarHBondContact O-OG1 3.4Å; P244-T247 VanDerWaalsContact O-OG1 3.09Å; P244-K249 PolarHBondContact O-NZ 3.23Å; P244-I378 WeakPolarHBondContact CD-O 3.4Å; P244-F475 HydrophobicContact CB-CD2 4.34Å; P244-F475 HydrophobicContact CB-CE2 4.05Å; P244-F475 HydrophobicContact CG-CE2 4.46Å; P244-K577 HydrophobicContact CG-CD 4.23Å
245P84.2Confident87.8Confident82 Ų8227.4 Ų27.453%0.53215%0.152SC..THydrogen-bonded Turntrans-60.4150.4173.528.2-34.6000110.6T247P245-T247 VanDerWaalsContact C-N 3.34Å; P245-T247 PolarHBondContact O-N 3.14Å
246G83.6Confident87.8Confident29 Ų2925.4 Ų25.430%0.29914%0.143SC..THydrogen-bonded Turntrans80.9-1.1176.700000116.6G248 G421 A422G246-G248 VanDerWaalsContact C-N 3.3Å; G246-G248 PolarHBondContact O-N 2.92Å; G246-G421 PolarHBondContact O-N 3.43Å; G246-A422 PolarHBondContact O-N 2.71Å
247T84.7Confident87.5Confident10 Ų1025 Ų256%0.06114%0.141CC..SBendtrans-82.12.7-179.760.60000115.2P244 P245 I378 G379 L380P244-T247 HydrophobicContact CB-CG2 4.05Å; P244-T247 HydrophobicContact CG-CG2 4.4Å; P244-T247 PolarHBondContact O-OG1 3.4Å; P244-T247 VanDerWaalsContact O-OG1 3.09Å; P245-T247 VanDerWaalsContact C-N 3.34Å; P245-T247 PolarHBondContact O-N 3.14Å; T247-I378 PolarHBondContact OG1-O 2.98Å; T247-G379 WeakPolarHBondContact CB-O 3.17Å; T247-G379 VanDerWaalsContact CG2-O 3.31Å; T247-G379 WeakPolarHBondContact CG2-O 3.27Å; T247-L380 HydrophobicContact CG2-CD2 4.17Å
248G85.2Confident87.2Confident28 Ų2830.9 Ų30.929%0.28917%0.167SC..SBendtrans89.916175.900000116.1G246 T250 L251 M252G246-G248 VanDerWaalsContact C-N 3.3Å; G246-G248 PolarHBondContact O-N 2.92Å; G248-T250 VanDerWaalsContact C-N 3.33Å; G248-T250 PolarHBondContact O-N 2.8Å; G248-L251 WeakPolarHBondContact O-CB 3.46Å; G248-L251 PolarHBondContact O-N 3.05Å; G248-M252 PolarHBondContact O-N 3.49Å
249K90.1Very high86.6Confident12 Ų1231.1 Ų31.15%0.05217%0.168CC..Hα-helixtrans-48.7-50175.4-61.6-176.3-66.9-79.40113.4G243 P244 L251 M252 A253 T356 N357 I378G243-K249 PolarHBondContact O-NZ 2.9Å; P244-K249 PolarHBondContact O-NZ 3.23Å; K249-L251 VanDerWaalsContact C-N 3.35Å; K249-L251 PolarHBondContact O-N 3.14Å; K249-M252 PolarHBondContact O-N 3.37Å; K249-A253 PolarHBondContact O-N 2.88Å; K249-T356 WeakPolarHBondContact CD-O 3.07Å; K249-T356 VanDerWaalsContact CE-O 3.28Å; K249-T356 WeakPolarHBondContact CE-O 3.25Å; K249-N357 WeakPolarHBondContact CE-OD1 3.38Å; K249-N357 PolarHBondContact NZ-OD1 3.03Å; K249-I378 HydrophobicContact CB-CD1 4.33Å; K249-I378 HydrophobicContact CG-CB 4.17Å; K249-I378 HydrophobicContact CG-CD1 3.89Å; K249-I378 HydrophobicContact CG-CG1 4.29Å
250T88.2Confident85.9Confident47 Ų4731.4 Ų31.429%0.28817%0.17SC..Hα-helixtrans-66.1-36.2179.4-46.50000112.4G248 R254 D311 M355G248-T250 VanDerWaalsContact C-N 3.33Å; G248-T250 PolarHBondContact O-N 2.8Å; T250-R254 WeakPolarHBondContact O-CB 3.04Å; T250-R254 VanDerWaalsContact O-CG 3.27Å; T250-R254 WeakPolarHBondContact O-CG 3.5Å; T250-R254 PolarHBondContact O-N 2.9Å; T250-R254 VanDerWaalsContact O-N 3.1Å; T250-D311 PolarHBondContact OG1-OD2 3.31Å; T250-M355 VanDerWaalsContact CA-SD 3.55Å; T250-M355 HydrophobicContact CG2-CE 4.4Å
251L86.9Confident84.6Confident78 Ų7835.2 Ų35.241%0.40819%0.19SC..Hα-helixtrans-66.3-46.6175.2-172.9150.7000110.2I203 G248 K249 A253 R254 Q255I203-L251 HydrophobicContact CG1-CD2 3.65Å; G248-L251 WeakPolarHBondContact O-CB 3.46Å; G248-L251 PolarHBondContact O-N 3.05Å; K249-L251 VanDerWaalsContact C-N 3.35Å; K249-L251 PolarHBondContact O-N 3.14Å; L251-A253 PolarHBondContact O-N 3.47Å; L251-R254 PolarHBondContact O-N 3.16Å; L251-Q255 HydrophobicContact CD2-CG 3.84Å; L251-Q255 HydrophobicContact CG-CG 4.44Å; L251-Q255 VanDerWaalsContact O-CG 3.31Å; L251-Q255 WeakPolarHBondContact O-CG 3.47Å; L251-Q255 PolarHBondContact O-N 3.33Å
252M88Confident83.6Confident1 Ų136.4 Ų36.41%0.00520%0.2CC..Hα-helixtrans-58-47.6177.6-165.1-171.8-155.300111.6E209 F210 I213 L241 G248 K249 R254 Q255 I256 I378E209-M252 HydrophobicContact CB-CE 4.29Å; F210-M252 HydrophobicContact CB-CE 3.73Å; F210-M252 HydrophobicContact CD2-CE 3.76Å; F210-M252 HydrophobicContact CD2-CG 4.4Å; F210-M252 HydrophobicContact CG-CE 4.22Å; I213-M252 HydrophobicContact CD1-CE 3.54Å; I213-M252 HydrophobicContact CD1-SD 3.97Å; L241-M252 HydrophobicContact CD1-CB 4.39Å; L241-M252 HydrophobicContact CD1-SD 4.22Å; L241-M252 HydrophobicContact CD2-SD 4.26Å; G248-M252 PolarHBondContact O-N 3.49Å; K249-M252 PolarHBondContact O-N 3.37Å; M252-R254 PolarHBondContact O-N 2.99Å; M252-Q255 PolarHBondContact O-N 3.09Å; M252-I256 HydrophobicContact CG-CD1 4.13Å; M252-I256 VanDerWaalsContact O-CG1 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.03Å; M252-I256 PolarHBondContact O-N 2.7Å; M252-I378 HydrophobicContact CB-CD1 4.36Å; M252-I378 HydrophobicContact SD-CD1 3.4Å; M252-I378 WeakPolarHBondContact SD-CD1 3.34Å; M252-I378 HydrophobicContact SD-CG1 4.41Å
253A88.7Confident83Confident0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-61.1-42.8177.900000112.5L241 K249 L251 I256 G257 I309 I353 M355L241-A253 HydrophobicContact CD1-CB 4.2Å; K249-A253 PolarHBondContact O-N 2.88Å; L251-A253 PolarHBondContact O-N 3.47Å; A253-I256 PolarHBondContact O-N 3.49Å; A253-G257 PolarHBondContact O-N 2.86Å; A253-I309 HydrophobicContact CB-CD1 4.2Å; A253-I309 HydrophobicContact CB-CG2 4.03Å; A253-I309 WeakPolarHBondContact O-CD1 3.47Å; A253-I353 HydrophobicContact CB-CG2 3.93Å; A253-M355 HydrophobicContact CB-CE 4.39Å; A253-M355 HydrophobicContact CB-CG 4.39Å; A253-M355 HydrophobicContact CB-SD 3.41Å; A253-M355 WeakPolarHBondContact CB-SD 3.4Å
254R85.6Confident82.7Confident130 Ų13049 Ų4949%0.49125%0.253SS..Hα-helixtrans-64.5-40.1176.5-73.9176-179.6-132.31.6112.1T250 L251 M252 G257 K258 I267T250-R254 WeakPolarHBondContact O-CB 3.04Å; T250-R254 VanDerWaalsContact O-CG 3.27Å; T250-R254 WeakPolarHBondContact O-CG 3.5Å; T250-R254 PolarHBondContact O-N 2.9Å; T250-R254 VanDerWaalsContact O-N 3.1Å; L251-R254 PolarHBondContact O-N 3.16Å; M252-R254 PolarHBondContact O-N 2.99Å; R254-G257 PolarHBondContact O-N 3.35Å; R254-K258 WeakPolarHBondContact O-CG 3.46Å; R254-K258 PolarHBondContact O-N 3.33Å; R254-I267 HydrophobicContact CG-CD1 4.03Å
255Q83.9Confident82.9Confident33 Ų3350.2 Ų50.215%0.15426%0.261CS..Hα-helixtrans-71.3-38.1179.1-67.5-59.7-3.500112.4M201 I203 L251 M252 G257 K258 M259M201-Q255 VanDerWaalsContact O-CD 3.24Å; M201-Q255 PolarHBondContact O-NE2 2.79Å; I203-Q255 HydrophobicContact CD1-CB 3.76Å; I203-Q255 HydrophobicContact CD1-CG 3.98Å; I203-Q255 HydrophobicContact CG1-CB 4.37Å; I203-Q255 HydrophobicContact CG1-CG 4.03Å; L251-Q255 HydrophobicContact CD2-CG 3.84Å; L251-Q255 HydrophobicContact CG-CG 4.44Å; L251-Q255 VanDerWaalsContact O-CG 3.31Å; L251-Q255 WeakPolarHBondContact O-CG 3.47Å; L251-Q255 PolarHBondContact O-N 3.33Å; M252-Q255 PolarHBondContact O-N 3.09Å; Q255-G257 PolarHBondContact O-N 3.47Å; Q255-K258 PolarHBondContact O-N 2.97Å; Q255-K258 VanDerWaalsContact O-N 3.17Å; Q255-M259 WeakPolarHBondContact O-CB 3.05Å; Q255-M259 PolarHBondContact O-N 2.77Å
256I85Confident83.1Confident0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-56.5-44.4169.3-70.7168.6000110F210 I213 F218 M252 A253 K258 M259 L260 I353F210-I256 HydrophobicContact CD2-CG1 4.44Å; F210-I256 HydrophobicContact CE2-CD1 4.49Å; F210-I256 HydrophobicContact CE2-CG1 3.72Å; F210-I256 HydrophobicContact CZ-CG1 4.49Å; I213-I256 HydrophobicContact CG2-CD1 4.35Å; F218-I256 HydrophobicContact CE1-CG2 4.49Å; F218-I256 HydrophobicContact CE2-CG2 3.93Å; F218-I256 HydrophobicContact CZ-CG2 3.47Å; F218-I256 VanDerWaalsContact CZ-CG2 3.47Å; M252-I256 HydrophobicContact CG-CD1 4.13Å; M252-I256 VanDerWaalsContact O-CG1 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.03Å; M252-I256 PolarHBondContact O-N 2.7Å; A253-I256 PolarHBondContact O-N 3.49Å; I256-K258 PolarHBondContact O-N 3.42Å; I256-M259 PolarHBondContact O-N 2.68Å; I256-L260 HydrophobicContact CG2-CD1 3.92Å; I256-L260 WeakPolarHBondContact O-CD1 3.45Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.43Å; I256-L260 PolarHBondContact O-N 3.39Å; I256-I353 HydrophobicContact CB-CD1 4.35Å; I256-I353 HydrophobicContact CG2-CD1 3.81Å
257G83Confident83.4Confident4 Ų451 Ų514%0.04125%0.25CS..Hα-helixtrans-61.5-37.5176.300000114.3A253 R254 Q255A253-G257 PolarHBondContact O-N 2.86Å; R254-G257 PolarHBondContact O-N 3.35Å; Q255-G257 PolarHBondContact O-N 3.47Å
258K80.3Confident83.8Confident148 Ų14851.5 Ų51.564%0.64325%0.253SS*.Hα-helixtrans-78.1-33.6177.9-72.5178.8178.6-177.80113.8R254 Q255 I256 L260R254-K258 WeakPolarHBondContact O-CG 3.46Å; R254-K258 PolarHBondContact O-N 3.33Å; Q255-K258 PolarHBondContact O-N 2.97Å; Q255-K258 VanDerWaalsContact O-N 3.17Å; I256-K258 PolarHBondContact O-N 3.42Å; K258-L260 VanDerWaalsContact C-N 3.34Å
259M77.7Confident84Confident5 Ų552.4 Ų52.43%0.02525%0.252CS..Hα-helixtrans-67-39.8-179.7178.9-160.1-15700111.2I192 W196 M201 F210 F214 Q255 I256I192-M259 HydrophobicContact CG2-CE 4.32Å; W196-M259 HydrophobicContact CB-CE 3.76Å; W196-M259 HydrophobicContact CD2-CE 3.48Å; W196-M259 VanDerWaalsContact CD2-CE 3.48Å; W196-M259 HydrophobicContact CE3-CE 4.01Å; W196-M259 HydrophobicContact CG-CE 3.34Å; M201-M259 HydrophobicContact CE-CB 3.92Å; M201-M259 HydrophobicContact CE-CG 3.85Å; F210-M259 HydrophobicContact CE1-CE 4.23Å; F210-M259 HydrophobicContact CE1-SD 4.13Å; F210-M259 HydrophobicContact CZ-CE 4.36Å; F210-M259 HydrophobicContact CZ-SD 3.7Å; F214-M259 HydrophobicContact CD2-CE 4.07Å; F214-M259 HydrophobicContact CD2-SD 4.37Å; F214-M259 HydrophobicContact CE2-CE 3.79Å; F214-M259 HydrophobicContact CE2-SD 4.37Å; Q255-M259 WeakPolarHBondContact O-CB 3.05Å; Q255-M259 PolarHBondContact O-N 2.77Å; I256-M259 PolarHBondContact O-N 2.68Å
260L77.5Confident83.8Confident6 Ų651.9 Ų51.93%0.03125%0.249CC..BIsolated β-bridgetrans-76.8128.1177.3-60.5167.2000108I191 I192 F218 I256 K258 A262 L305 I307 L351I191-L260 HydrophobicContact CG2-CB 4.44Å; I191-L260 HydrophobicContact CG2-CD2 4.23Å; I191-L260 CarbonylContact O-C 3.47Å; I191-L260 WeakPolarHBondContact O-CA 3.49Å; I192-L260 HydrophobicContact CG1-CD2 4.03Å; F218-L260 HydrophobicContact CD1-CD1 4.17Å; F218-L260 HydrophobicContact CD1-CD2 3.95Å; F218-L260 HydrophobicContact CE1-CD1 3.48Å; F218-L260 VanDerWaalsContact CE1-CD1 3.48Å; F218-L260 HydrophobicContact CE1-CD2 4.1Å; F218-L260 HydrophobicContact CE1-CG 4.37Å; F218-L260 HydrophobicContact CG-CD2 4.34Å; F218-L260 HydrophobicContact CZ-CD1 3.76Å; I256-L260 HydrophobicContact CG2-CD1 3.92Å; I256-L260 WeakPolarHBondContact O-CD1 3.45Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.43Å; I256-L260 PolarHBondContact O-N 3.39Å; K258-L260 VanDerWaalsContact C-N 3.34Å; L260-A262 HydrophobicContact CB-CB 4.1Å; L260-A262 PolarHBondContact O-N 2.91Å; L260-L305 HydrophobicContact CD1-CD2 4.07Å; L260-I307 HydrophobicContact CB-CD1 4.12Å; L260-I307 HydrophobicContact CD1-CD1 3.67Å; L260-L351 HydrophobicContact CD1-CD2 4.23Å
261N68Low83.6Confident80 Ų8052.4 Ų52.443%0.42825%0.254SS..  trans-68.149.1165.3-74-29000110.9S190 I191 N193S190-N261 PolarHBondContact O-ND2 3.39Å; I191-N261 PolarHBondContact O-N 3.46Å; N193-N261 VanDerWaalsContact CG-OD1 3.22Å; N193-N261 PolarHBondContact ND2-OD1 3.37Å; N193-N261 PolarHBondContact OD1-ND2 3.11Å; N193-N261 PolarHBondContact OD1-OD1 3.23Å; N193-N261 VanDerWaalsContact OD1-OD1 3.09Å
262A72.6Confident83.7Confident26 Ų2655 Ų5522%0.21526%0.264CS..  trans-83.8174.4176.600000110.3L260 L305 I307L260-A262 HydrophobicContact CB-CB 4.1Å; L260-A262 PolarHBondContact O-N 2.91Å; A262-L305 HydrophobicContact CB-CB 4.08Å; A262-L305 HydrophobicContact CB-CD2 4.42Å; A262-L305 HydrophobicContact CB-CG 4.27Å; A262-L305 VanDerWaalsContact CB-O 3.3Å; A262-L305 WeakPolarHBondContact CB-O 3.34Å; A262-I307 HydrophobicContact CB-CD1 3.47Å; A262-I307 VanDerWaalsContact CB-CD1 3.47Å; A262-I307 HydrophobicContact CB-CG1 3.87Å
263R79Confident83.6Confident126 Ų12655.1 Ų55.148%0.47526%0.264SS..SBendtrans-61.7160161.4-63.5-64.9-171.1-173.3-4.8109.4E295 L305R263-E295 IonicContact CZ-OE1 3.25Å; R263-E295 IonicContact NE-OE1 2.7Å; R263-E295 PolarHBondContact NE-OE1 2.87Å; R263-E295 IonicContact NE-OE2 2.67Å; R263-E295 PolarHBondContact NE-OE2 3.42Å; R263-E295 IonicContact NH2-OE1 3.29Å; R263-E295 PolarHBondContact NH2-OE1 2.95Å; R263-E295 IonicContact NH2-OE2 2.71Å; R263-L305 PolarHBondContact N-O 2.85Å
264E82.5Confident83.4Confident177 Ų17757.7 Ų57.783%0.82728%0.278SS*.PPolyproline II helixtrans-51.7124.5177.2-172176.4-175.600110.2K266E264-K266 PolarHBondContact O-N 2.88Å
265P85.8Confident83.3Confident33 Ų3354.6 Ų54.621%0.21427%0.271CS..PPolyproline II helixtrans-68.2128.9-175.226.3-33.6000110.2I267 I307 I309P265-I267 PolarHBondContact O-N 3.44Å; P265-I307 WeakPolarHBondContact CA-O 3.43Å; P265-I307 HydrophobicContact CB-CB 4.11Å; P265-I307 HydrophobicContact CB-CG2 4.2Å; P265-I309 HydrophobicContact CB-CD1 4.16Å
266K89.7Confident83Confident53 Ų5362.9 Ų62.923%0.2331%0.307CS..EExtended strand (participates in β ladder)trans-79.8109.4173-66-175.4-179-178.60109.1E264 L288 D291 I307 I309E264-K266 PolarHBondContact O-N 2.88Å; K266-L288 HydrophobicContact CD-CD2 4.38Å; K266-L288 PolarHBondContact NZ-O 3.29Å; K266-D291 VanDerWaalsContact CE-OD2 3.32Å; K266-D291 WeakPolarHBondContact CE-OD2 3.36Å; K266-D291 IonicContact NZ-OD2 3.1Å; K266-D291 PolarHBondContact NZ-OD2 3.41Å; K266-I307 PolarHBondContact N-O 2.98Å; K266-I309 PolarHBondContact O-N 3.3Å
267I90Very high82.9Confident74 Ų7470.8 Ų70.838%0.37934%0.337SS..EExtended strand (participates in β ladder)trans-98120176.4-53.5175.1000108.3R254 P265 I309R254-I267 HydrophobicContact CG-CD1 4.03Å; P265-I267 PolarHBondContact O-N 3.44Å; I267-I309 HydrophobicContact CG1-CB 4.22Å; I267-I309 HydrophobicContact CG1-CD1 4.12Å; I267-I309 HydrophobicContact CG2-CG2 4.43Å
268V91.7Very high82.7Confident20 Ų2077.3 Ų77.312%0.12138%0.376CS..EExtended strand (participates in β ladder)trans-129.1132.3180-175.40000108.4Q272 I273 L288 I309 L310 D311V268-Q272 HydrophobicContact CG1-CB 4.43Å; V268-I273 HydrophobicContact CG1-CD1 3.85Å; V268-I273 HydrophobicContact CG1-CG1 3.57Å; V268-L288 HydrophobicContact CG2-CD1 4Å; V268-L288 HydrophobicContact CG2-CD2 3.6Å; V268-L288 HydrophobicContact CG2-CG 4.47Å; V268-I309 PolarHBondContact N-O 3.04Å; V268-L310 HydrophobicContact CB-CD2 4.11Å; V268-L310 WeakPolarHBondContact O-CA 3.02Å; V268-D311 PolarHBondContact O-N 3.34Å
269N90.2Very high82.9Confident48 Ų4871.9 Ų71.926%0.25736%0.362SS..EExtended strand (participates in β ladder)trans-83.5138.3171.8-164.55.6000109.7P271 Q272 D311 E312N269-P271 WeakPolarHBondContact OD1-CD 3.44Å; N269-Q272 HydrophobicContact CB-CG 4.05Å; N269-Q272 VanDerWaalsContact N-OE1 3.13Å; N269-Q272 VanDerWaalsContact O-CB 3.29Å; N269-Q272 WeakPolarHBondContact O-CB 3.35Å; N269-Q272 PolarHBondContact O-N 3.45Å; N269-D311 PolarHBondContact OD1-O 2.93Å; N269-E312 PolarHBondContact ND2-OE2 2.95Å; N269-E312 WeakPolarHBondContact OD1-CB 3.05Å; N269-E312 PolarHBondContact OD1-OE2 3.44Å
270G84.6Confident83.4Confident0 Ų075.5 Ų75.50%038%0.379CS..G310 helixtrans-46.3-51.2-177.700000113.5Q272 I273 D311 I316G270-Q272 PolarHBondContact O-N 2.89Å; G270-I273 PolarHBondContact O-N 2.91Å; G270-D311 WeakPolarHBondContact CA-O 3.46Å; G270-D311 PolarHBondContact N-O 3Å; G270-I316 WeakPolarHBondContact O-CG2 3.2Å
271P85.8Confident83.9Confident59 Ų5975.3 Ų75.338%0.38338%0.378SS..G310 helixtrans-60.8-26.4178-25.335.3000115N269 I273 L274 A315N269-P271 WeakPolarHBondContact OD1-CD 3.44Å; P271-I273 PolarHBondContact O-N 3.07Å; P271-L274 PolarHBondContact O-N 3.38Å; P271-A315 HydrophobicContact CG-CB 3.98Å
272Q87.5Confident84.8Confident132 Ų13273.8 Ų73.862%0.61737%0.368SS*.G310 helixtrans-69.9-18.5-180-66.3173.9-20.700112.9V268 N269 G270 L274V268-Q272 HydrophobicContact CG1-CB 4.43Å; N269-Q272 HydrophobicContact CB-CG 4.05Å; N269-Q272 VanDerWaalsContact N-OE1 3.13Å; N269-Q272 VanDerWaalsContact O-CB 3.29Å; N269-Q272 WeakPolarHBondContact O-CB 3.35Å; N269-Q272 PolarHBondContact O-N 3.45Å; G270-Q272 PolarHBondContact O-N 2.89Å; Q272-L274 VanDerWaalsContact C-N 3.31Å
273I86.7Confident85.7Confident4 Ų474 Ų742%0.02137%0.37CS..G310 helixtrans-77.4-24.9177-64.2167.8000110.7V268 G270 P271 D275 S281 I285 L288 L310 I316 V333V268-I273 HydrophobicContact CG1-CD1 3.85Å; V268-I273 HydrophobicContact CG1-CG1 3.57Å; G270-I273 PolarHBondContact O-N 2.91Å; P271-I273 PolarHBondContact O-N 3.07Å; I273-D275 PolarHBondContact O-N 3.06Å; I273-S281 VanDerWaalsContact O-CA 3.29Å; I273-S281 WeakPolarHBondContact O-CA 3.48Å; I273-S281 WeakPolarHBondContact O-CB 3.49Å; I273-S281 PolarHBondContact O-OG 2.9Å; I273-I285 HydrophobicContact CG2-CD1 4.07Å; I273-I285 HydrophobicContact CG2-CG1 3.7Å; I273-L288 HydrophobicContact CD1-CD1 4.42Å; I273-L310 HydrophobicContact CD1-CD2 3.92Å; I273-I316 HydrophobicContact CB-CG2 4.31Å; I273-I316 HydrophobicContact CD1-CD1 3.87Å; I273-V333 HydrophobicContact CG2-CG1 4.31Å
274L83.9Confident86.3Confident53 Ų5369.7 Ų69.728%0.27736%0.357SS..  trans-84.8113.7-174.7-63.5171000110.7P271 Q272 I316 V329 V333P271-L274 PolarHBondContact O-N 3.38Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; L274-I316 HydrophobicContact CD1-CG2 4.13Å; L274-I316 HydrophobicContact CD2-CG2 4.08Å; L274-I316 HydrophobicContact CG-CG2 3.86Å; L274-V329 HydrophobicContact CD2-CG1 4.43Å; L274-V333 HydrophobicContact CD2-CG2 4.5Å
275D82.9Confident86.7Confident66 Ų6661.4 Ų61.435%0.35332%0.318SS..  trans-108.4154.1173.4-84.2-46.1000111.9I273 Y277 E280 S281 N284I273-D275 PolarHBondContact O-N 3.06Å; D275-Y277 VanDerWaalsContact C-N 3.27Å; D275-Y277 PolarHBondContact O-N 3.41Å; D275-E280 HydrophobicContact CB-CB 3.8Å; D275-S281 PolarHBondContact N-OG 2.98Å; D275-N284 PolarHBondContact OD2-ND2 2.78Å
276K78.8Confident86.9Confident207 Ų20764.4 Ų64.490%0.933%0.325SS*.SBendtrans-70.5-23.5179-64.6-178.9-177.71770112.8
277Y81.7Confident86.9Confident165 Ų16568.5 Ų68.565%0.64734%0.343SS*.SBendtrans-87.5131-178.9-61.5-81.7000110.7D275 G279 E280D275-Y277 VanDerWaalsContact C-N 3.27Å; D275-Y277 PolarHBondContact O-N 3.41Å; Y277-G279 PolarHBondContact O-N 2.97Å; Y277-E280 VanDerWaalsContact CB-CD 3.47Å; Y277-E280 WeakPolarHBondContact CB-OE2 3.45Å; Y277-E280 VanDerWaalsContact CD2-OE2 3.23Å; Y277-E280 WeakPolarHBondContact CD2-OE2 3.37Å; Y277-E280 PolarHBondContact O-N 2.61Å
278V79.2Confident86.9Confident142 Ų14266.5 Ų66.586%0.86133%0.333SS*.THydrogen-bonded Turntrans-61128.4-179.6-178.70000109.8E280V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.7Å
279G84.5Confident86.9Confident33 Ų3365.7 Ų65.734%0.3433%0.328SS..THydrogen-bonded Turntrans88.1-18.7179.300000115.4Y277 E282 A283Y277-G279 PolarHBondContact O-N 2.97Å; G279-E282 PolarHBondContact O-N 3.27Å; G279-A283 PolarHBondContact O-N 3.2Å
280E87.8Confident86.8Confident82 Ų8264.7 Ų64.738%0.38333%0.326SS..Hα-helixtrans-66.2-39.8176.6-74.2-168.2167.600111.8D275 Y277 V278 E282 A283 N284D275-E280 HydrophobicContact CB-CB 3.8Å; Y277-E280 VanDerWaalsContact CB-CD 3.47Å; Y277-E280 WeakPolarHBondContact CB-OE2 3.45Å; Y277-E280 VanDerWaalsContact CD2-OE2 3.23Å; Y277-E280 WeakPolarHBondContact CD2-OE2 3.37Å; Y277-E280 PolarHBondContact O-N 2.61Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.7Å; E280-E282 VanDerWaalsContact C-N 3.28Å; E280-E282 PolarHBondContact O-N 3.44Å; E280-A283 CarbonylContact O-C 3.57Å; E280-A283 WeakPolarHBondContact O-CB 3.09Å; E280-A283 PolarHBondContact O-N 2.85Å; E280-N284 VanDerWaalsContact O-CG 3.28Å; E280-N284 PolarHBondContact O-N 3.27Å
281S88.6Confident87Confident2 Ų268.6 Ų68.61%0.01435%0.347CS..Hα-helixtrans-58.6-40.2176.6-54.90000112.2I273 D275 I285 V333I273-S281 VanDerWaalsContact O-CA 3.29Å; I273-S281 WeakPolarHBondContact O-CA 3.48Å; I273-S281 WeakPolarHBondContact O-CB 3.49Å; I273-S281 PolarHBondContact O-OG 2.9Å; D275-S281 PolarHBondContact N-OG 2.98Å; S281-I285 PolarHBondContact O-N 2.96Å; S281-V333 VanDerWaalsContact CB-CG2 3.46Å
282E88.2Confident87Confident47 Ų4765.8 Ų65.822%0.2233%0.329CS..Hα-helixtrans-69.5-40.9174.6-65177.7-16500112G279 E280 N284 I285 R286 T332 Q336G279-E282 PolarHBondContact O-N 3.27Å; E280-E282 VanDerWaalsContact C-N 3.28Å; E280-E282 PolarHBondContact O-N 3.44Å; E282-N284 VanDerWaalsContact C-N 3.29Å; E282-N284 PolarHBondContact O-N 3.32Å; E282-I285 PolarHBondContact O-N 3.46Å; E282-R286 WeakPolarHBondContact O-CG 3.47Å; E282-R286 PolarHBondContact O-N 3.35Å; E282-R286 IonicContact OE2-CZ 2.82Å; E282-R286 IonicContact OE2-NH1 2.66Å; E282-R286 IonicContact OE2-NH2 3.39Å; E282-R286 PolarHBondContact OE2-NH2 3.2Å; E282-T332 VanDerWaalsContact OE1-CB 3.31Å; E282-T332 WeakPolarHBondContact OE1-CB 3.31Å; E282-Q336 HydrophobicContact CB-CB 4.49Å; E282-Q336 HydrophobicContact CB-CG 4.15Å; E282-Q336 HydrophobicContact CG-CB 4.3Å; E282-Q336 HydrophobicContact CG-CG 4.49Å
283A90.6Very high87Confident30 Ų3060.9 Ų60.925%0.24831%0.306CS..Hα-helixtrans-62.6-37.9177.900000111.3G279 E280 R286 K287G279-A283 PolarHBondContact O-N 3.2Å; E280-A283 CarbonylContact O-C 3.57Å; E280-A283 WeakPolarHBondContact O-CB 3.09Å; E280-A283 PolarHBondContact O-N 2.85Å; A283-R286 PolarHBondContact O-N 2.87Å; A283-K287 WeakPolarHBondContact O-CG 3.44Å; A283-K287 PolarHBondContact O-N 3.02Å
284N91.1Very high86.9Confident37 Ų3766.4 Ų66.420%0.19833%0.332CS..Hα-helixtrans-61.5-45174.4-69.4-18.4000111.3D275 E280 E282 R286 K287 L288D275-N284 PolarHBondContact OD2-ND2 2.78Å; E280-N284 VanDerWaalsContact O-CG 3.28Å; E280-N284 PolarHBondContact O-N 3.27Å; E282-N284 VanDerWaalsContact C-N 3.29Å; E282-N284 PolarHBondContact O-N 3.32Å; N284-R286 VanDerWaalsContact C-N 3.34Å; N284-R286 PolarHBondContact O-N 2.84Å; N284-K287 PolarHBondContact O-N 2.85Å; N284-L288 WeakPolarHBondContact O-CG 3.27Å; N284-L288 PolarHBondContact O-N 3.33Å
285I90.7Very high86.9Confident2 Ų264.6 Ų64.61%0.0132%0.321CS..Hα-helixtrans-58.8-45.5172.4-68.4178.4000110.9I273 S281 E282 K287 L288 F289 V333 Q336 L337 K340I273-I285 HydrophobicContact CG2-CD1 4.07Å; I273-I285 HydrophobicContact CG2-CG1 3.7Å; S281-I285 PolarHBondContact O-N 2.96Å; E282-I285 PolarHBondContact O-N 3.46Å; I285-K287 VanDerWaalsContact C-N 3.33Å; I285-K287 PolarHBondContact O-N 2.95Å; I285-L288 WeakPolarHBondContact O-CB 3.44Å; I285-L288 PolarHBondContact O-N 3.37Å; I285-F289 HydrophobicContact CG2-CD2 4.33Å; I285-F289 HydrophobicContact CG2-CE2 4.28Å; I285-F289 WeakPolarHBondContact O-CD2 3.48Å; I285-F289 PolarHBondContact O-N 2.82Å; I285-V333 HydrophobicContact CD1-CB 4.25Å; I285-V333 HydrophobicContact CD1-CG1 3.38Å; I285-V333 WeakPolarHBondContact CD1-O 3.47Å; I285-Q336 HydrophobicContact CB-CG 4.27Å; I285-Q336 HydrophobicContact CG2-CG 4.08Å; I285-L337 HydrophobicContact CD1-CB 4.25Å; I285-L337 HydrophobicContact CG2-CD1 4.36Å; I285-K340 HydrophobicContact CG2-CG 4.47Å
286R89.9Confident86.8Confident97 Ų9764 Ų6437%0.36632%0.316SS..Hα-helixtrans-60.5-41.8178.8-66.5178.4-163.3121.38.9112E282 A283 N284 L288 F289 A290 Q336E282-R286 WeakPolarHBondContact O-CG 3.47Å; E282-R286 PolarHBondContact O-N 3.35Å; E282-R286 IonicContact OE2-CZ 2.82Å; E282-R286 IonicContact OE2-NH1 2.66Å; E282-R286 IonicContact OE2-NH2 3.39Å; E282-R286 PolarHBondContact OE2-NH2 3.2Å; A283-R286 PolarHBondContact O-N 2.87Å; N284-R286 VanDerWaalsContact C-N 3.34Å; N284-R286 PolarHBondContact O-N 2.84Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.92Å; R286-F289 PolarHBondContact O-N 3.35Å; R286-A290 PolarHBondContact O-N 3.47Å; R286-Q336 HydrophobicContact CG-CG 4.36Å; R286-Q336 VanDerWaalsContact NE-OE1 3.08Å
287K91.2Very high86.9Confident139 Ų13960.4 Ų60.460%0.60430%0.3SS*.Hα-helixtrans-62.3-35.7176.4-71.8172.3-175.1170.60112.5A283 N284 I285 F289 A290A283-K287 WeakPolarHBondContact O-CG 3.44Å; A283-K287 PolarHBondContact O-N 3.02Å; N284-K287 PolarHBondContact O-N 2.85Å; I285-K287 VanDerWaalsContact C-N 3.33Å; I285-K287 PolarHBondContact O-N 2.95Å; K287-F289 VanDerWaalsContact C-N 3.29Å; K287-F289 PolarHBondContact O-N 3.23Å; K287-A290 PolarHBondContact O-N 2.98Å
288L90.1Very high86.6Confident32 Ų3259.1 Ų59.117%0.16829%0.294CS..Hα-helixtrans-61.1-39.5177.7-68.8174.9000112.1K266 V268 I273 N284 I285 R286K266-L288 HydrophobicContact CD-CD2 4.38Å; K266-L288 PolarHBondContact NZ-O 3.29Å; V268-L288 HydrophobicContact CG2-CD1 4Å; V268-L288 HydrophobicContact CG2-CD2 3.6Å; V268-L288 HydrophobicContact CG2-CG 4.47Å; I273-L288 HydrophobicContact CD1-CD1 4.42Å; N284-L288 WeakPolarHBondContact O-CG 3.27Å; N284-L288 PolarHBondContact O-N 3.33Å; I285-L288 WeakPolarHBondContact O-CB 3.44Å; I285-L288 PolarHBondContact O-N 3.37Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.92Å
289F90.5Very high86.2Confident3 Ų354.6 Ų54.61%0.01327%0.267CS..Hα-helixtrans-87.7-19-179.4-73.4-101.9000114I285 R286 K287 D291 A292 E293 I308 L337 K340 I341 I350 V352I285-F289 HydrophobicContact CG2-CD2 4.33Å; I285-F289 HydrophobicContact CG2-CE2 4.28Å; I285-F289 WeakPolarHBondContact O-CD2 3.48Å; I285-F289 PolarHBondContact O-N 2.82Å; R286-F289 PolarHBondContact O-N 3.35Å; K287-F289 VanDerWaalsContact C-N 3.29Å; K287-F289 PolarHBondContact O-N 3.23Å; F289-D291 PolarHBondContact O-N 3.44Å; F289-A292 PolarHBondContact O-N 3.27Å; F289-A292 VanDerWaalsContact O-N 3.13Å; F289-E293 PolarHBondContact O-N 2.69Å; F289-I308 HydrophobicContact CD1-CD1 4.11Å; F289-I308 HydrophobicContact CD2-CD1 4.01Å; F289-I308 HydrophobicContact CE1-CD1 3.96Å; F289-I308 HydrophobicContact CE2-CD1 3.88Å; F289-I308 HydrophobicContact CG-CD1 4.13Å; F289-I308 HydrophobicContact CZ-CD1 3.85Å; F289-L337 HydrophobicContact CE2-CD1 3.9Å; F289-L337 HydrophobicContact CZ-CD1 4.02Å; F289-K340 HydrophobicContact CB-CD 4.3Å; F289-K340 HydrophobicContact CD1-CB 4.06Å; F289-K340 HydrophobicContact CD2-CB 4.15Å; F289-K340 HydrophobicContact CD2-CG 4.39Å; F289-K340 HydrophobicContact CE1-CB 4.15Å; F289-K340 HydrophobicContact CE2-CB 4.23Å; F289-K340 HydrophobicContact CG-CB 4.08Å; F289-K340 HydrophobicContact CG-CD 4.49Å; F289-K340 HydrophobicContact CG-CG 4.37Å; F289-K340 HydrophobicContact CZ-CB 4.23Å; F289-I341 HydrophobicContact CE1-CG1 4.5Å; F289-I341 HydrophobicContact CZ-CG1 4.29Å; F289-I350 HydrophobicContact CD1-CD1 3.65Å; F289-I350 HydrophobicContact CE1-CD1 4.19Å; F289-I350 HydrophobicContact CE1-CG2 4.1Å; F289-V352 HydrophobicContact CE1-CG2 4.19Å; F289-V352 HydrophobicContact CZ-CG2 3.97Å
290A89.6Confident85.6Confident27 Ų2754.3 Ų54.322%0.22326%0.264CS..Hα-helixtrans-54.7-48.8-174.400000113.3R286 K287 A292 E293 E294R286-A290 PolarHBondContact O-N 3.47Å; K287-A290 PolarHBondContact O-N 2.98Å; A290-A292 PolarHBondContact O-N 2.94Å; A290-E293 WeakPolarHBondContact O-CB 3.4Å; A290-E293 PolarHBondContact O-N 2.61Å; A290-E293 VanDerWaalsContact O-N 3.14Å; A290-E294 WeakPolarHBondContact O-CB 3.4Å; A290-E294 WeakPolarHBondContact O-CG 3.34Å; A290-E294 PolarHBondContact O-N 3.31Å
291D87.3Confident84.6Confident81 Ų8155.2 Ų55.243%0.43327%0.27SS..Hα-helixtrans-60-36.6-179.3-57.7-9.5000112.4K266 F289 E295K266-D291 VanDerWaalsContact CE-OD2 3.32Å; K266-D291 WeakPolarHBondContact CE-OD2 3.36Å; K266-D291 IonicContact NZ-OD2 3.1Å; K266-D291 PolarHBondContact NZ-OD2 3.41Å; F289-D291 PolarHBondContact O-N 3.44Å; D291-E295 WeakPolarHBondContact O-CB 3.49Å; D291-E295 PolarHBondContact O-N 3.36Å
292A87Confident83.6Confident1 Ų158.8 Ų58.81%0.00829%0.289CS..Hα-helixtrans-74.5-37.4179.200000111.9F289 A290 F296 H306 N349 I350F289-A292 PolarHBondContact O-N 3.27Å; F289-A292 VanDerWaalsContact O-N 3.13Å; A290-A292 PolarHBondContact O-N 2.94Å; A292-F296 VanDerWaalsContact O-CB 3.24Å; A292-F296 WeakPolarHBondContact O-CB 3.23Å; A292-F296 PolarHBondContact O-N 3.47Å; A292-H306 HydrophobicContact CB-CB 3.75Å; A292-N349 PolarHBondContact O-ND2 3.2Å; A292-I350 HydrophobicContact CB-CD1 3.47Å; A292-I350 VanDerWaalsContact CB-CD1 3.47Å; A292-I350 HydrophobicContact CB-CG1 3.62Å
293E85.9Confident82.9Confident29 Ų2957.2 Ų57.214%0.13628%0.284CS..Hα-helixtrans-64.7-45.3173.3-75.2174.6-167.700111.6F289 A290 F296 K297 K340 L347F289-E293 PolarHBondContact O-N 2.69Å; A290-E293 WeakPolarHBondContact O-CB 3.4Å; A290-E293 PolarHBondContact O-N 2.61Å; A290-E293 VanDerWaalsContact O-N 3.14Å; E293-F296 PolarHBondContact O-N 2.87Å; E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 VanDerWaalsContact O-CG 3.31Å; E293-K297 WeakPolarHBondContact O-CG 3.24Å; E293-K297 PolarHBondContact O-N 3.19Å; E293-K340 VanDerWaalsContact CD-NZ 3.27Å; E293-K340 VanDerWaalsContact OE1-CD 3.27Å; E293-K340 WeakPolarHBondContact OE1-CD 3.47Å; E293-K340 WeakPolarHBondContact OE1-CE 3.39Å; E293-K340 IonicContact OE1-NZ 3.44Å; E293-K340 PolarHBondContact OE1-NZ 2.63Å; E293-K340 IonicContact OE2-NZ 3.38Å; E293-K340 PolarHBondContact OE2-NZ 3.29Å; E293-L347 HydrophobicContact CG-CD1 3.43Å; E293-L347 VanDerWaalsContact CG-CD1 3.43Å; E293-L347 HydrophobicContact CG-CD2 4Å; E293-L347 HydrophobicContact CG-CG 4.33Å
294E85.9Confident82.4Confident120 Ų12057 Ų5756%0.56128%0.284SS*.Hα-helixtrans-65.8-43.4178.6-73.2-177.8-173.400112A290 K297 R298A290-E294 WeakPolarHBondContact O-CB 3.4Å; A290-E294 WeakPolarHBondContact O-CG 3.34Å; A290-E294 PolarHBondContact O-N 3.31Å; E294-K297 PolarHBondContact O-N 3.37Å; E294-R298 WeakPolarHBondContact O-CB 3.24Å; E294-R298 PolarHBondContact O-N 3.45Å
295E82.5Confident82.2Confident14 Ų1455.6 Ų55.67%0.06528%0.276CS..Hα-helixtrans-64.7-41.8175.2-171.9166.9-178.300111.1R263 D291 K297 R298 V299 S303 G304 H306R263-E295 IonicContact CZ-OE1 3.25Å; R263-E295 IonicContact NE-OE1 2.7Å; R263-E295 PolarHBondContact NE-OE1 2.87Å; R263-E295 IonicContact NE-OE2 2.67Å; R263-E295 PolarHBondContact NE-OE2 3.42Å; R263-E295 IonicContact NH2-OE1 3.29Å; R263-E295 PolarHBondContact NH2-OE1 2.95Å; R263-E295 IonicContact NH2-OE2 2.71Å; D291-E295 WeakPolarHBondContact O-CB 3.49Å; D291-E295 PolarHBondContact O-N 3.36Å; E295-K297 VanDerWaalsContact C-N 3.34Å; E295-K297 PolarHBondContact O-N 3.41Å; E295-R298 PolarHBondContact O-N 2.92Å; E295-R298 VanDerWaalsContact O-N 3.17Å; E295-V299 HydrophobicContact CG-CG2 4.32Å; E295-V299 WeakPolarHBondContact O-CB 3.26Å; E295-V299 PolarHBondContact O-N 3.17Å; E295-S303 PolarHBondContact O-OG 2.79Å; E295-G304 PolarHBondContact OE1-N 2.61Å; E295-H306 IonicContact OE2-CD2 3.53Å; E295-H306 IonicContact OE2-CE1 3.72Å; E295-H306 PolarHBondContact OE2-CE1 2.94Å; E295-H306 IonicContact OE2-NE2 3.82Å; E295-H306 PolarHBondContact OE2-NE2 3.5Å
296F81.6Confident82.1Confident55 Ų5556.4 Ų56.424%0.24128%0.28CS..Hα-helixtrans-59.4-43174.9-169.1-105.7000112.5A292 E293 R298 G300 S303 L347 N349A292-F296 VanDerWaalsContact O-CB 3.24Å; A292-F296 WeakPolarHBondContact O-CB 3.23Å; A292-F296 PolarHBondContact O-N 3.47Å; E293-F296 PolarHBondContact O-N 2.87Å; F296-R298 VanDerWaalsContact C-N 3.33Å; F296-R298 PolarHBondContact O-N 3.19Å; F296-G300 WeakPolarHBondContact O-CA 3.33Å; F296-G300 PolarHBondContact O-N 3.02Å; F296-S303 VanDerWaalsContact CA-OG 3.26Å; F296-S303 WeakPolarHBondContact CA-OG 3.32Å; F296-L347 HydrophobicContact CB-CD2 3.84Å; F296-L347 HydrophobicContact CD1-CD2 3.71Å; F296-L347 HydrophobicContact CE1-CD2 4.47Å; F296-L347 HydrophobicContact CG-CD2 3.84Å; F296-N349 HydrophobicContact CD2-CB 4.3Å
297K80.4Confident82.1Confident131 Ų13151.9 Ų51.957%0.5726%0.263SS*.Hα-helixtrans-65.5-34.6176.3-75.3172-179.8174.10112.8E293 E294 E295 E345E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 VanDerWaalsContact O-CG 3.31Å; E293-K297 WeakPolarHBondContact O-CG 3.24Å; E293-K297 PolarHBondContact O-N 3.19Å; E294-K297 PolarHBondContact O-N 3.37Å; E295-K297 VanDerWaalsContact C-N 3.34Å; E295-K297 PolarHBondContact O-N 3.41Å; K297-E345 WeakPolarHBondContact CE-OE1 3.45Å; K297-E345 WeakPolarHBondContact CE-OE2 3.31Å; K297-E345 IonicContact NZ-OE1 3.83Å; K297-E345 PolarHBondContact NZ-OE1 2.67Å; K297-E345 VanDerWaalsContact NZ-OE1 3.1Å; K297-E345 IonicContact NZ-OE2 2.69Å; K297-E345 PolarHBondContact NZ-OE2 3.48Å
298R76.4Confident82.1Confident137 Ų13745.4 Ų45.452%0.51724%0.235SC..Hα-helixtrans-80.3-42.9-178.1-177.8176.561.6-127.5-3.2113.1E294 E295 F296E294-R298 WeakPolarHBondContact O-CB 3.24Å; E294-R298 PolarHBondContact O-N 3.45Å; E295-R298 PolarHBondContact O-N 2.92Å; E295-R298 VanDerWaalsContact O-N 3.17Å; F296-R298 VanDerWaalsContact C-N 3.33Å; F296-R298 PolarHBondContact O-N 3.19Å
299V70.1Confident82.3Confident48 Ų4843.9 Ų43.929%0.29123%0.227SC..Hα-helixtrans-113.5-16.3-165.7-174.40000112.3E295 N302E295-V299 HydrophobicContact CG-CG2 4.32Å; E295-V299 WeakPolarHBondContact O-CB 3.26Å; E295-V299 PolarHBondContact O-N 3.17Å; V299-N302 HydrophobicContact CG1-CB 3.61Å; V299-N302 WeakPolarHBondContact CG1-O 3.39Å
300G72.4Confident82.4Confident26 Ų2643.9 Ų43.927%0.26823%0.227SC..G310 helixtrans66.7-134.9177.200000112.1F296 N302 S303F296-G300 WeakPolarHBondContact O-CA 3.33Å; F296-G300 PolarHBondContact O-N 3.02Å; G300-N302 PolarHBondContact O-N 3.46Å; G300-N302 VanDerWaalsContact O-N 3.11Å; G300-S303 WeakPolarHBondContact O-CB 3.48Å; G300-S303 PolarHBondContact O-N 3.49Å; G300-S303 VanDerWaalsContact O-N 3.07Å; G300-S303 PolarHBondContact O-OG 3.41Å
301I67.5Low82.5Confident102 Ų10244.4 Ų44.452%0.52323%0.226SC..G310 helixtrans-58.3-26.3-178.9-62.2160.5000112.2P225 S303P225-I301 HydrophobicContact CB-CG2 4.12Å; I301-S303 PolarHBondContact O-N 2.72Å
302N66.2Low82.6Confident76 Ų7644.3 Ų44.341%0.40622%0.223SC..G310 helixtrans-83.58-179.1-64.9-23000114R183 Q186 V299 G300R183-N302 PolarHBondContact NH2-ND2 2.99Å; Q186-N302 PolarHBondContact OE1-ND2 2.93Å; V299-N302 HydrophobicContact CG1-CB 3.61Å; V299-N302 WeakPolarHBondContact CG1-O 3.39Å; G300-N302 PolarHBondContact O-N 3.46Å; G300-N302 VanDerWaalsContact O-N 3.11Å
303S75Confident82.8Confident15 Ų1544.4 Ų44.411%0.10522%0.224CC..PPolyproline II helixtrans-64.2141.1-179.2-60.50000110.8E295 F296 G300 I301E295-S303 PolarHBondContact O-OG 2.79Å; F296-S303 VanDerWaalsContact CA-OG 3.26Å; F296-S303 WeakPolarHBondContact CA-OG 3.32Å; G300-S303 WeakPolarHBondContact O-CB 3.48Å; G300-S303 PolarHBondContact O-N 3.49Å; G300-S303 VanDerWaalsContact O-N 3.07Å; G300-S303 PolarHBondContact O-OG 3.41Å; I301-S303 PolarHBondContact O-N 2.72Å
304G79.2Confident82.9Confident25 Ų2544.4 Ų44.426%0.25823%0.225SC..PPolyproline II helixtrans-59.8150.8171.400000111.2E295 H306E295-G304 PolarHBondContact OE1-N 2.61Å; G304-H306 PolarHBondContact O-CD2 2.84Å; G304-H306 PolarHBondContact O-N 3.19Å
305L86Confident82.9Confident7 Ų739.6 Ų39.64%0.03721%0.206CC..PPolyproline II helixtrans-69.4124.2172.4-179.558.9000109.5I191 L260 A262 R263 I307 N349 L351I191-L305 HydrophobicContact CG2-CB 4.47Å; I191-L305 HydrophobicContact CG2-CD2 4.12Å; L260-L305 HydrophobicContact CD1-CD2 4.07Å; A262-L305 HydrophobicContact CB-CB 4.08Å; A262-L305 HydrophobicContact CB-CD2 4.42Å; A262-L305 HydrophobicContact CB-CG 4.27Å; A262-L305 VanDerWaalsContact CB-O 3.3Å; A262-L305 WeakPolarHBondContact CB-O 3.34Å; R263-L305 PolarHBondContact N-O 2.85Å; L305-I307 HydrophobicContact CD2-CD1 4.48Å; L305-I307 HydrophobicContact CD2-CG1 4.34Å; L305-I307 HydrophobicContact CG-CG1 4.14Å; L305-N349 WeakPolarHBondContact CA-O 3.27Å; L305-L351 HydrophobicContact CD1-CB 4.05Å
306H88.8Confident83.1Confident19 Ų1939 Ų399%0.08820%0.202CC..EExtended strand (participates in β ladder)trans-98.9126.3170.7-74.6-96.1000109.6A292 E295 G304 N349 I350 L351A292-H306 HydrophobicContact CB-CB 3.75Å; E295-H306 IonicContact OE2-CD2 3.53Å; E295-H306 IonicContact OE2-CE1 3.72Å; E295-H306 PolarHBondContact OE2-CE1 2.94Å; E295-H306 IonicContact OE2-NE2 3.82Å; E295-H306 PolarHBondContact OE2-NE2 3.5Å; G304-H306 PolarHBondContact O-CD2 2.84Å; G304-H306 PolarHBondContact O-N 3.19Å; H306-N349 PolarHBondContact N-O 3.42Å; H306-I350 WeakPolarHBondContact O-CA 3.35Å; H306-L351 PolarHBondContact O-N 3.26Å
307I89.9Confident83.1Confident2 Ų236.3 Ų36.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-109.7125.7-179.5-56.8175.7000108.8L260 A262 P265 K266 L305 I309 L351 I353L260-I307 HydrophobicContact CB-CD1 4.12Å; L260-I307 HydrophobicContact CD1-CD1 3.67Å; A262-I307 HydrophobicContact CB-CD1 3.47Å; A262-I307 VanDerWaalsContact CB-CD1 3.47Å; A262-I307 HydrophobicContact CB-CG1 3.87Å; P265-I307 WeakPolarHBondContact CA-O 3.43Å; P265-I307 HydrophobicContact CB-CB 4.11Å; P265-I307 HydrophobicContact CB-CG2 4.2Å; K266-I307 PolarHBondContact N-O 2.98Å; L305-I307 HydrophobicContact CD2-CD1 4.48Å; L305-I307 HydrophobicContact CD2-CG1 4.34Å; L305-I307 HydrophobicContact CG-CG1 4.14Å; I307-I309 HydrophobicContact CG2-CD1 4.46Å; I307-I309 HydrophobicContact CG2-CG1 4Å; I307-L351 WeakPolarHBondContact CA-O 3.44Å; I307-L351 HydrophobicContact CG1-CB 4.48Å; I307-L351 HydrophobicContact CG1-CD2 4.48Å; I307-I353 HydrophobicContact CG2-CD1 4.13Å
308I92.4Very high83.1Confident3 Ų334.5 Ų34.52%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-114.9116.9175.1-57.5174.1000107.7F289 L310 I350 L351 V352 I353F289-I308 HydrophobicContact CD1-CD1 4.11Å; F289-I308 HydrophobicContact CD2-CD1 4.01Å; F289-I308 HydrophobicContact CE1-CD1 3.96Å; F289-I308 HydrophobicContact CE2-CD1 3.88Å; F289-I308 HydrophobicContact CG-CD1 4.13Å; F289-I308 HydrophobicContact CZ-CD1 3.85Å; I308-L310 HydrophobicContact CG2-CD2 4.01Å; I308-L310 HydrophobicContact CG2-CG 4.18Å; I308-I350 HydrophobicContact CD1-CG2 4.41Å; I308-L351 PolarHBondContact N-O 3.45Å; I308-V352 CarbonylContact O-C 3.48Å; I308-V352 WeakPolarHBondContact O-CA 3.44Å; I308-I353 PolarHBondContact O-N 3.46Å
309I93.4Very high83.1Confident1 Ų131.9 Ų31.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-104.6117178.2-59177.7000107.9A253 P265 K266 I267 V268 I307 I353 M355A253-I309 HydrophobicContact CB-CD1 4.2Å; A253-I309 HydrophobicContact CB-CG2 4.03Å; A253-I309 WeakPolarHBondContact O-CD1 3.47Å; P265-I309 HydrophobicContact CB-CD1 4.16Å; K266-I309 PolarHBondContact O-N 3.3Å; I267-I309 HydrophobicContact CG1-CB 4.22Å; I267-I309 HydrophobicContact CG1-CD1 4.12Å; I267-I309 HydrophobicContact CG2-CG2 4.43Å; V268-I309 PolarHBondContact N-O 3.04Å; I307-I309 HydrophobicContact CG2-CD1 4.46Å; I307-I309 HydrophobicContact CG2-CG1 4Å; I309-I353 WeakPolarHBondContact CA-O 3.44Å; I309-I353 HydrophobicContact CG1-CB 4.38Å; I309-M355 HydrophobicContact CG2-CE 3.36Å; I309-M355 HydrophobicContact CG2-SD 4.21Å
310L92.9Very high83.1Confident3 Ų334.3 Ų34.32%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-106.6105.1177-60.7177.9000108.8V268 I273 I308 L313 L337 V352 I353 M355V268-L310 HydrophobicContact CB-CD2 4.11Å; V268-L310 WeakPolarHBondContact O-CA 3.02Å; I273-L310 HydrophobicContact CD1-CD2 3.92Å; I308-L310 HydrophobicContact CG2-CD2 4.01Å; I308-L310 HydrophobicContact CG2-CG 4.18Å; L310-L313 HydrophobicContact CB-CD1 3.97Å; L310-L313 HydrophobicContact CD1-CD1 3.74Å; L310-L337 HydrophobicContact CD1-CD1 4.4Å; L310-L337 HydrophobicContact CD1-CD2 4.25Å; L310-V352 HydrophobicContact CD1-CG1 4.07Å; L310-I353 PolarHBondContact N-O 3.15Å; L310-M355 PolarHBondContact O-N 3.37Å
311D92.5Very high82.6Confident38 Ų3836.4 Ų36.420%0.20320%0.202CC..EExtended strand (participates in β ladder)trans-80.9153.1171-147.9-16000110.6T250 V268 N269 G270 L313 M355T250-D311 PolarHBondContact OG1-OD2 3.31Å; V268-D311 PolarHBondContact O-N 3.34Å; N269-D311 PolarHBondContact OD1-O 2.93Å; G270-D311 WeakPolarHBondContact CA-O 3.46Å; G270-D311 PolarHBondContact N-O 3Å; D311-L313 VanDerWaalsContact C-N 3.3Å; D311-L313 PolarHBondContact O-N 3.13Å; D311-M355 HydrophobicContact CB-CE 3.5Å; D311-M355 VanDerWaalsContact CB-CE 3.5Å
312E89.5Confident82.4Confident79 Ų7934.9 Ų34.937%0.36920%0.201SC..SBendtrans48.149.4-178.8-55.6-176.1146.500113.1N269 D314 A315 M355N269-E312 PolarHBondContact ND2-OE2 2.95Å; N269-E312 WeakPolarHBondContact OD1-CB 3.05Å; N269-E312 PolarHBondContact OD1-OE2 3.44Å; E312-D314 PolarHBondContact O-N 3.38Å; E312-D314 VanDerWaalsContact O-N 3.1Å; E312-A315 VanDerWaalsContact O-CB 3.23Å; E312-A315 WeakPolarHBondContact O-CB 3.42Å; E312-A315 PolarHBondContact O-N 2.76Å; E312-M355 PolarHBondContact N-O 2.86Å
313L90.3Very high81.9Confident2 Ų238.4 Ų38.41%0.0122%0.216CC..Hα-helixtrans-58.3-27.8-175.7-173.469.7000112.5L240 L310 D311 A315 I316 C317 L337 M355 I362 L372L240-L313 HydrophobicContact CD1-CD2 4Å; L310-L313 HydrophobicContact CB-CD1 3.97Å; L310-L313 HydrophobicContact CD1-CD1 3.74Å; D311-L313 VanDerWaalsContact C-N 3.3Å; D311-L313 PolarHBondContact O-N 3.13Å; L313-A315 PolarHBondContact O-N 3.29Å; L313-I316 HydrophobicContact CD1-CD1 3.9Å; L313-I316 HydrophobicContact CD1-CG1 4.1Å; L313-I316 WeakPolarHBondContact O-CG1 3.49Å; L313-I316 PolarHBondContact O-N 2.78Å; L313-C317 HydrophobicContact CG-CB 4.2Å; L313-C317 WeakPolarHBondContact O-CB 3.2Å; L313-C317 PolarHBondContact O-N 2.92Å; L313-L337 HydrophobicContact CD1-CD2 4.49Å; L313-M355 WeakPolarHBondContact CB-O 3.23Å; L313-M355 PolarHBondContact N-O 3.48Å; L313-I362 HydrophobicContact CD2-CD1 4.27Å; L313-L372 HydrophobicContact CD2-CD1 3.82Å
314D88.1Confident81Confident30 Ų3043 Ų4316%0.1626%0.255CS..Hα-helixtrans-65.7-14.6175.261.1-37.7000113.8E312 K318 M361E312-D314 PolarHBondContact O-N 3.38Å; E312-D314 VanDerWaalsContact O-N 3.1Å; D314-K318 VanDerWaalsContact O-CE 3.28Å; D314-K318 WeakPolarHBondContact O-CE 3.45Å; D314-K318 WeakPolarHBondContact O-CG 3.48Å; D314-M361 HydrophobicContact CB-CB 4.24Å
315A85.9Confident80Confident19 Ų1945.1 Ų45.116%0.15728%0.277CS..Hα-helixtrans-69.8-38.7172.100000112.4P271 E312 L313 H330P271-A315 HydrophobicContact CG-CB 3.98Å; E312-A315 VanDerWaalsContact O-CB 3.23Å; E312-A315 WeakPolarHBondContact O-CB 3.42Å; E312-A315 PolarHBondContact O-N 2.76Å; L313-A315 PolarHBondContact O-N 3.29Å; A315-H330 PolarHBondContact O-CE1 2.71Å; A315-H330 PolarHBondContact O-ND1 3.43Å
316I86.1Confident78.8Confident0 Ų049.1 Ų49.10%031%0.306CS..Hα-helixtrans-99.3-29.4-178.152.2159.2000113.3G270 I273 L274 L313 V333 V334G270-I316 WeakPolarHBondContact O-CG2 3.2Å; I273-I316 HydrophobicContact CB-CG2 4.31Å; I273-I316 HydrophobicContact CD1-CD1 3.87Å; L274-I316 HydrophobicContact CD1-CG2 4.13Å; L274-I316 HydrophobicContact CD2-CG2 4.08Å; L274-I316 HydrophobicContact CG-CG2 3.86Å; L313-I316 HydrophobicContact CD1-CD1 3.9Å; L313-I316 HydrophobicContact CD1-CG1 4.1Å; L313-I316 WeakPolarHBondContact O-CG1 3.49Å; L313-I316 PolarHBondContact O-N 2.78Å; I316-V333 HydrophobicContact CB-CG1 4.21Å; I316-V333 HydrophobicContact CG2-CG1 4.45Å; I316-V334 VanDerWaalsContact O-CG2 3.27Å; I316-V334 WeakPolarHBondContact O-CG2 3.4Å
317C82.9Confident77.5Confident0 Ų050.2 Ų50.20%031%0.314CS..SBendtrans-109.845.9-170.8-60.90000113.9L313 V334 I362 D363 L366L313-C317 HydrophobicContact CG-CB 4.2Å; L313-C317 WeakPolarHBondContact O-CB 3.2Å; L313-C317 PolarHBondContact O-N 2.92Å; C317-V334 HydrophobicContact CB-CG2 4.17Å; C317-I362 WeakPolarHBondContact O-CA 3.39Å; C317-D363 PolarHBondContact O-N 3.09Å; C317-L366 HydrophobicContact CB-CD1 3.51Å; C317-L366 WeakPolarHBondContact SG-CD1 3.44Å
318K80.8Confident76.6Confident92 Ų9253.7 Ų53.740%0.434%0.342SS..BIsolated β-bridgetrans-67.2152.5177.7-64.7-177.7-177.5171.80111.9D314 R320 M361D314-K318 VanDerWaalsContact O-CE 3.28Å; D314-K318 WeakPolarHBondContact O-CE 3.45Å; D314-K318 WeakPolarHBondContact O-CG 3.48Å; K318-R320 PolarHBondContact O-N 3.43Å; K318-M361 CarbonylContact C-O 3.53Å; K318-M361 VanDerWaalsContact CA-O 3.26Å; K318-M361 WeakPolarHBondContact CA-O 3.38Å
319Q74.6Confident75.8Confident83 Ų8356.2 Ų56.239%0.38836%0.358SS..PPolyproline II helixtrans-53.8126.2169.9-74.4-170.9-12.900111.2D360 M361Q319-D360 PolarHBondContact NE2-O 3.1Å; Q319-M361 PolarHBondContact N-O 2.88Å
320R70.2Confident75.1Confident99 Ų9958 Ų5837%0.37437%0.366SS..THydrogen-bonded Turntrans-63.9137.9-179.9-53.8-177.1-167-156.1-8.4110.1K318 N335 D363K318-R320 PolarHBondContact O-N 3.43Å; R320-N335 PolarHBondContact NH1-OD1 3.35Å; R320-N335 PolarHBondContact NH2-OD1 2.69Å; R320-D363 IonicContact CZ-OD2 2.94Å; R320-D363 IonicContact NE-OD2 3.79Å; R320-D363 PolarHBondContact NE-OD2 2.71Å; R320-D363 IonicContact NH2-OD2 3.61Å; R320-D363 PolarHBondContact NH2-OD2 2.81Å
321G63.5Low74.6Confident70 Ų7059.8 Ų59.872%0.72238%0.376SS*.THydrogen-bonded Turntrans83.62.9176.100000116.2M323G321-M323 PolarHBondContact O-N 3.48Å
322S61.3Low74.2Confident70 Ų7060.6 Ų60.649%0.4938%0.382SS..SBendtrans-77.2-16.4-176.4-1520000114.6
323M57.5Low74.1Confident150 Ų15056.9 Ų56.974%0.73937%0.365SS*.  trans-150.5136.7177.6-82.2-69.293.200113.8G321 G325 T327G321-M323 PolarHBondContact O-N 3.48Å; M323-G325 PolarHBondContact O-N 2.9Å; M323-T327 WeakPolarHBondContact O-CG2 3.39Å
324A56.1Low74Confident110 Ų11056.8 Ų56.891%0.90936%0.364SS*.SBendtrans-78.8-1.3-171.200000116.4
325G58.2Low74Confident70 Ų7059 Ų5972%0.72238%0.376SS*.SBendtrans-112.5-17.9-163.700000118.3M323M323-G325 PolarHBondContact O-N 2.9Å
326S59.8Low74.1Confident92 Ų9259.5 Ų59.564%0.64338%0.375SS*.SBendtrans-145.911-172.3-52.80000114.4A328 H330S326-A328 PolarHBondContact O-N 2.99Å; S326-H330 PolarHBondContact O-CD2 2.97Å; S326-H330 VanDerWaalsContact O-CD2 3.26Å
327T62.5Low74.3Confident42 Ų4259.8 Ų59.826%0.25838%0.377SS..Hα-helixtrans-74.1-26.1-166.639.70000115.5M323 V329 H330 D331M323-T327 WeakPolarHBondContact O-CG2 3.39Å; T327-V329 VanDerWaalsContact C-N 3.32Å; T327-V329 PolarHBondContact O-N 2.86Å; T327-H330 PolarHBondContact O-N 2.8Å; T327-H330 VanDerWaalsContact O-N 3.15Å; T327-D331 VanDerWaalsContact O-CG 3.3Å; T327-D331 PolarHBondContact O-N 2.96Å
328A69.2Low74.5Confident74 Ų7460.3 Ų60.361%0.61238%0.38SS*.Hα-helixtrans-60-39.5-171.100000113.5S326 T332S326-A328 PolarHBondContact O-N 2.99Å; A328-T332 VanDerWaalsContact O-CG2 3.27Å; A328-T332 WeakPolarHBondContact O-CG2 3.11Å; A328-T332 PolarHBondContact O-N 2.88Å; A328-T332 PolarHBondContact O-OG1 2.85Å
329V76.5Confident74.8Confident57 Ų5758.6 Ų58.635%0.34538%0.383SS..Hα-helixtrans-75.1-38.4178.7-176.20000111.2L274 T327 T332 V333L274-V329 HydrophobicContact CD2-CG1 4.43Å; T327-V329 VanDerWaalsContact C-N 3.32Å; T327-V329 PolarHBondContact O-N 2.86Å; V329-T332 WeakPolarHBondContact CA-OG1 3.47Å; V329-T332 PolarHBondContact O-OG1 3.01Å; V329-V333 HydrophobicContact CG1-CG2 4.32Å; V329-V333 WeakPolarHBondContact O-CB 3.38Å; V329-V333 WeakPolarHBondContact O-CG2 3.48Å; V329-V333 PolarHBondContact O-N 3.24Å; V329-V333 VanDerWaalsContact O-N 3.14Å
330H78.8Confident75.4Confident37 Ų3756.6 Ų56.617%0.17137%0.373CS..Hα-helixtrans-65.5-46.1177.9-67.3-70.3000111.7A315 S326 T327 T332 V333 V334A315-H330 PolarHBondContact O-CE1 2.71Å; A315-H330 PolarHBondContact O-ND1 3.43Å; S326-H330 PolarHBondContact O-CD2 2.97Å; S326-H330 VanDerWaalsContact O-CD2 3.26Å; T327-H330 PolarHBondContact O-N 2.8Å; T327-H330 VanDerWaalsContact O-N 3.15Å; H330-T332 VanDerWaalsContact C-N 3.31Å; H330-T332 PolarHBondContact O-N 2.94Å; H330-V333 PolarHBondContact O-N 3.34Å; H330-V334 VanDerWaalsContact O-CG2 3.32Å; H330-V334 WeakPolarHBondContact O-CG2 3.42Å; H330-V334 PolarHBondContact O-N 3.26Å
331D81.6Confident76.2Confident42 Ų4252.3 Ų52.323%0.22536%0.357CS..Hα-helixtrans-63.5-38.7-177.1-68.2-19.6000112T327 N335T327-D331 VanDerWaalsContact O-CG 3.3Å; T327-D331 PolarHBondContact O-N 2.96Å; D331-N335 WeakPolarHBondContact O-CB 3.33Å; D331-N335 VanDerWaalsContact O-CG 3.31Å; D331-N335 PolarHBondContact O-N 2.82Å; D331-N335 PolarHBondContact O-ND2 2.9Å; D331-N335 VanDerWaalsContact O-ND2 3.1Å
332T84.8Confident77Confident55 Ų5552.5 Ų52.534%0.33734%0.342SS..Hα-helixtrans-68.1-43.4177.547.20000112E282 A328 V329 H330 V334 N335 Q336E282-T332 VanDerWaalsContact OE1-CB 3.31Å; E282-T332 WeakPolarHBondContact OE1-CB 3.31Å; A328-T332 VanDerWaalsContact O-CG2 3.27Å; A328-T332 WeakPolarHBondContact O-CG2 3.11Å; A328-T332 PolarHBondContact O-N 2.88Å; A328-T332 PolarHBondContact O-OG1 2.85Å; V329-T332 WeakPolarHBondContact CA-OG1 3.47Å; V329-T332 PolarHBondContact O-OG1 3.01Å; H330-T332 VanDerWaalsContact C-N 3.31Å; H330-T332 PolarHBondContact O-N 2.94Å; T332-V334 PolarHBondContact O-N 2.85Å; T332-N335 PolarHBondContact O-N 2.8Å; T332-Q336 WeakPolarHBondContact O-CB 3.37Å; T332-Q336 PolarHBondContact O-N 2.84Å
333V87.6Confident77.5Confident0 Ų050.2 Ų50.20%033%0.329CS..Hα-helixtrans-60-44.2174.4168.60000111.3I273 L274 S281 I285 I316 V329 H330 Q336 L337I273-V333 HydrophobicContact CG2-CG1 4.31Å; L274-V333 HydrophobicContact CD2-CG2 4.5Å; S281-V333 VanDerWaalsContact CB-CG2 3.46Å; I285-V333 HydrophobicContact CD1-CB 4.25Å; I285-V333 HydrophobicContact CD1-CG1 3.38Å; I285-V333 WeakPolarHBondContact CD1-O 3.47Å; I316-V333 HydrophobicContact CB-CG1 4.21Å; I316-V333 HydrophobicContact CG2-CG1 4.45Å; V329-V333 HydrophobicContact CG1-CG2 4.32Å; V329-V333 WeakPolarHBondContact O-CB 3.38Å; V329-V333 WeakPolarHBondContact O-CG2 3.48Å; V329-V333 PolarHBondContact O-N 3.24Å; V329-V333 VanDerWaalsContact O-N 3.14Å; H330-V333 PolarHBondContact O-N 3.34Å; V333-Q336 PolarHBondContact O-N 3.27Å; V333-L337 PolarHBondContact O-N 3.18Å
334V87.3Confident77.7Confident0 Ų050.4 Ų50.40%034%0.338CS..Hα-helixtrans-63.6-45.3176.5178.30000111.5I316 C317 H330 T332 Q336 L337 L338 D363 L366I316-V334 VanDerWaalsContact O-CG2 3.27Å; I316-V334 WeakPolarHBondContact O-CG2 3.4Å; C317-V334 HydrophobicContact CB-CG2 4.17Å; H330-V334 VanDerWaalsContact O-CG2 3.32Å; H330-V334 WeakPolarHBondContact O-CG2 3.42Å; H330-V334 PolarHBondContact O-N 3.26Å; T332-V334 PolarHBondContact O-N 2.85Å; V334-Q336 VanDerWaalsContact C-N 3.29Å; V334-Q336 PolarHBondContact O-N 2.99Å; V334-L337 PolarHBondContact O-N 2.97Å; V334-L338 HydrophobicContact CG1-CD1 3.98Å; V334-L338 HydrophobicContact CG1-CG 4.31Å; V334-L338 WeakPolarHBondContact O-CB 3.49Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.47Å; V334-L338 PolarHBondContact O-N 3.01Å; V334-D363 HydrophobicContact CG1-CB 4.4Å; V334-D363 WeakPolarHBondContact CG1-OD2 3.37Å; V334-L366 HydrophobicContact CG1-CD1 4.36Å
335N87.9Confident78.2Confident76 Ų7650 Ų5041%0.40632%0.317SS..Hα-helixtrans-59.6-41.1175.8-76.2-34.5000111.9R320 D331 T332 L338 A339R320-N335 PolarHBondContact NH1-OD1 3.35Å; R320-N335 PolarHBondContact NH2-OD1 2.69Å; D331-N335 WeakPolarHBondContact O-CB 3.33Å; D331-N335 VanDerWaalsContact O-CG 3.31Å; D331-N335 PolarHBondContact O-N 2.82Å; D331-N335 PolarHBondContact O-ND2 2.9Å; D331-N335 VanDerWaalsContact O-ND2 3.1Å; T332-N335 PolarHBondContact O-N 2.8Å; N335-L338 PolarHBondContact O-N 3.29Å; N335-A339 VanDerWaalsContact O-CB 3.3Å; N335-A339 WeakPolarHBondContact O-CB 3.29Å; N335-A339 PolarHBondContact O-N 2.86Å
336Q88.8Confident78.7Confident30 Ų3050.8 Ų50.814%0.1430%0.302CS..Hα-helixtrans-66.4-40.2178.2-175.156.968.900112.2E282 I285 R286 T332 V333 V334 K340E282-Q336 HydrophobicContact CB-CB 4.49Å; E282-Q336 HydrophobicContact CB-CG 4.15Å; E282-Q336 HydrophobicContact CG-CB 4.3Å; E282-Q336 HydrophobicContact CG-CG 4.49Å; I285-Q336 HydrophobicContact CB-CG 4.27Å; I285-Q336 HydrophobicContact CG2-CG 4.08Å; R286-Q336 HydrophobicContact CG-CG 4.36Å; R286-Q336 VanDerWaalsContact NE-OE1 3.08Å; T332-Q336 WeakPolarHBondContact O-CB 3.37Å; T332-Q336 PolarHBondContact O-N 2.84Å; V333-Q336 PolarHBondContact O-N 3.27Å; V334-Q336 VanDerWaalsContact C-N 3.29Å; V334-Q336 PolarHBondContact O-N 2.99Å; Q336-K340 WeakPolarHBondContact O-CG 3.43Å; Q336-K340 PolarHBondContact O-N 3.13Å; Q336-K340 VanDerWaalsContact O-N 3.1Å
337L89.7Confident79.4Confident6 Ų646.7 Ų46.73%0.03127%0.273CS..Hα-helixtrans-64-46.2174.4-175.562.4000111.3I285 F289 L310 L313 V333 V334 A339 K340 I341 L366I285-L337 HydrophobicContact CD1-CB 4.25Å; I285-L337 HydrophobicContact CG2-CD1 4.36Å; F289-L337 HydrophobicContact CE2-CD1 3.9Å; F289-L337 HydrophobicContact CZ-CD1 4.02Å; L310-L337 HydrophobicContact CD1-CD1 4.4Å; L310-L337 HydrophobicContact CD1-CD2 4.25Å; L313-L337 HydrophobicContact CD1-CD2 4.49Å; V333-L337 PolarHBondContact O-N 3.18Å; V334-L337 PolarHBondContact O-N 2.97Å; L337-A339 PolarHBondContact O-N 2.94Å; L337-K340 PolarHBondContact O-N 3.09Å; L337-K340 VanDerWaalsContact O-N 3.17Å; L337-I341 HydrophobicContact CD1-CD1 4.16Å; L337-I341 HydrophobicContact CG-CD1 3.99Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 2.97Å; L337-L366 HydrophobicContact CD2-CD2 4.23Å
338L87.8Confident80.1Confident12 Ų1248 Ų486%0.06328%0.278CS..Hα-helixtrans-59.9-45176.6-74.5175.8000112.2V334 N335 K340 I341 D342 A365 L366V334-L338 HydrophobicContact CG1-CD1 3.98Å; V334-L338 HydrophobicContact CG1-CG 4.31Å; V334-L338 WeakPolarHBondContact O-CB 3.49Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.47Å; V334-L338 PolarHBondContact O-N 3.01Å; N335-L338 PolarHBondContact O-N 3.29Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 3.44Å; L338-I341 PolarHBondContact O-N 2.99Å; L338-D342 WeakPolarHBondContact O-CB 3.32Å; L338-D342 PolarHBondContact O-N 3.39Å; L338-A365 HydrophobicContact CD1-CB 3.84Å; L338-L366 HydrophobicContact CD2-CB 4.49Å; L338-L366 HydrophobicContact CD2-CD2 3.34Å; L338-L366 HydrophobicContact CD2-CG 3.75Å; L338-L366 HydrophobicContact CG-CD2 3.99Å; L338-L366 HydrophobicContact CG-CG 4.33Å
339A87.1Confident80.8Confident56 Ų5644.8 Ų44.846%0.46325%0.251SS..Hα-helixtrans-63.7-30.4177.200000112.6N335 L337 G343N335-A339 VanDerWaalsContact O-CB 3.3Å; N335-A339 WeakPolarHBondContact O-CB 3.29Å; N335-A339 PolarHBondContact O-N 2.86Å; L337-A339 PolarHBondContact O-N 2.94Å; A339-G343 WeakPolarHBondContact O-CA 2.83Å; A339-G343 PolarHBondContact O-N 3.04Å
340K87.1Confident81.3Confident41 Ų4142.5 Ų42.518%0.17824%0.237CC..Hα-helixtrans-77.9-32.3175.5-73.5-65.1-171.71780113.4I285 F289 E293 Q336 L337 L338I285-K340 HydrophobicContact CG2-CG 4.47Å; F289-K340 HydrophobicContact CB-CD 4.3Å; F289-K340 HydrophobicContact CD1-CB 4.06Å; F289-K340 HydrophobicContact CD2-CB 4.15Å; F289-K340 HydrophobicContact CD2-CG 4.39Å; F289-K340 HydrophobicContact CE1-CB 4.15Å; F289-K340 HydrophobicContact CE2-CB 4.23Å; F289-K340 HydrophobicContact CG-CB 4.08Å; F289-K340 HydrophobicContact CG-CD 4.49Å; F289-K340 HydrophobicContact CG-CG 4.37Å; F289-K340 HydrophobicContact CZ-CB 4.23Å; E293-K340 VanDerWaalsContact CD-NZ 3.27Å; E293-K340 VanDerWaalsContact OE1-CD 3.27Å; E293-K340 WeakPolarHBondContact OE1-CD 3.47Å; E293-K340 WeakPolarHBondContact OE1-CE 3.39Å; E293-K340 IonicContact OE1-NZ 3.44Å; E293-K340 PolarHBondContact OE1-NZ 2.63Å; E293-K340 IonicContact OE2-NZ 3.38Å; E293-K340 PolarHBondContact OE2-NZ 3.29Å; Q336-K340 WeakPolarHBondContact O-CG 3.43Å; Q336-K340 PolarHBondContact O-N 3.13Å; Q336-K340 VanDerWaalsContact O-N 3.1Å; L337-K340 PolarHBondContact O-N 3.09Å; L337-K340 VanDerWaalsContact O-N 3.17Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 3.44Å
341I86.1Confident81.9Confident8 Ų840.8 Ų40.84%0.04123%0.229CC..Hα-helixtrans-79.2-41.1177.9-63.7169.1000111.7R237 F289 L337 L338 V352 L366 R371R237-I341 HydrophobicContact CB-CG2 4.36Å; R237-I341 WeakPolarHBondContact CD-O 3.3Å; R237-I341 PolarHBondContact NH1-O 3.25Å; F289-I341 HydrophobicContact CE1-CG1 4.5Å; F289-I341 HydrophobicContact CZ-CG1 4.29Å; L337-I341 HydrophobicContact CD1-CD1 4.16Å; L337-I341 HydrophobicContact CG-CD1 3.99Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 2.97Å; L338-I341 PolarHBondContact O-N 2.99Å; I341-V352 HydrophobicContact CG1-CG2 4.38Å; I341-L366 HydrophobicContact CD1-CD2 4.4Å; I341-R371 HydrophobicContact CG2-CB 4.22Å; I341-R371 HydrophobicContact CG2-CG 4.21Å
342D81.5Confident82.4Confident75 Ų7539 Ų3940%0.40122%0.22SC..Hα-helixtrans-105.6-4.4-171-160.115.3000113.4L338 R371L338-D342 WeakPolarHBondContact O-CB 3.32Å; L338-D342 PolarHBondContact O-N 3.39Å; D342-R371 IonicContact OD2-CZ 3.58Å; D342-R371 IonicContact OD2-NE 3.8Å; D342-R371 PolarHBondContact OD2-NE 2.79Å; D342-R371 IonicContact OD2-NH2 2.82Å; D342-R371 PolarHBondContact OD2-NH2 3.37Å
343G71.8Confident82.8Confident21 Ų2136.4 Ų36.422%0.21620%0.203CC..SBendtrans-54.9170.5-169.200000115.9A339 E345A339-G343 WeakPolarHBondContact O-CA 2.83Å; A339-G343 PolarHBondContact O-N 3.04Å; G343-E345 CarbonylContact O-C 3.55Å; G343-E345 PolarHBondContact O-N 3.01Å
344V62.6Low83.1Confident155 Ų15536.4 Ų36.494%0.93920%0.203SC*.SBendtrans-55.9-37.2-179.1-171.80000111.5Q346V344-Q346 PolarHBondContact O-N 2.74Å
345E65.7Low83.4Confident100 Ų10036.4 Ų36.447%0.46720%0.203SC..SBendtrans-81.292.8169.6-65.3-171.3175.600109.2K297 G343 L347K297-E345 WeakPolarHBondContact CE-OE1 3.45Å; K297-E345 WeakPolarHBondContact CE-OE2 3.31Å; K297-E345 IonicContact NZ-OE1 3.83Å; K297-E345 PolarHBondContact NZ-OE1 2.67Å; K297-E345 VanDerWaalsContact NZ-OE1 3.1Å; K297-E345 IonicContact NZ-OE2 2.69Å; K297-E345 PolarHBondContact NZ-OE2 3.48Å; G343-E345 CarbonylContact O-C 3.55Å; G343-E345 PolarHBondContact O-N 3.01Å; E345-L347 PolarHBondContact O-N 3.44Å
346Q68.9Low83.6Confident87 Ų8732.9 Ų32.941%0.40719%0.185SC..  trans-70.394.8177.4-75.2-171.724.200110.6R237 V344 N348R237-Q346 VanDerWaalsContact NH2-CG 3.28Å; V344-Q346 PolarHBondContact O-N 2.74Å; Q346-N348 PolarHBondContact O-N 3.15Å
347L75Confident83.6Confident7 Ų735 Ų354%0.03720%0.197CC..  trans-77.8113.4177.9-61.4162.8000110.1E293 F296 E345 I350E293-L347 HydrophobicContact CG-CD1 3.43Å; E293-L347 VanDerWaalsContact CG-CD1 3.43Å; E293-L347 HydrophobicContact CG-CD2 4Å; E293-L347 HydrophobicContact CG-CG 4.33Å; F296-L347 HydrophobicContact CB-CD2 3.84Å; F296-L347 HydrophobicContact CD1-CD2 3.71Å; F296-L347 HydrophobicContact CE1-CD2 4.47Å; F296-L347 HydrophobicContact CG-CD2 3.84Å; E345-L347 PolarHBondContact O-N 3.44Å; L347-I350 HydrophobicContact CB-CD1 3.84Å; L347-I350 HydrophobicContact CB-CG1 4.12Å; L347-I350 HydrophobicContact CD1-CD1 3.44Å; L347-I350 VanDerWaalsContact CD1-CD1 3.44Å; L347-I350 HydrophobicContact CG-CD1 4.18Å
348N76.6Confident83.2Confident68 Ų6840.5 Ų40.536%0.36422%0.217SC..SBendtrans-89.5-13.4178.7-72.1-16.2000113R221 Q346R221-N348 PolarHBondContact NH1-O 3.27Å; Q346-N348 PolarHBondContact O-N 3.15Å
349N82.7Confident83.1Confident8 Ų845 Ų454%0.04323%0.233CC..SBendtrans-94.514-176.568.4-40.3000113.8A292 F296 L305 H306A292-N349 PolarHBondContact O-ND2 3.2Å; F296-N349 HydrophobicContact CD2-CB 4.3Å; L305-N349 WeakPolarHBondContact CA-O 3.27Å; H306-N349 PolarHBondContact N-O 3.42Å
350I88.7Confident83Confident9 Ų946.8 Ų46.85%0.04624%0.235CC..EExtended strand (participates in β ladder)trans-116.4142.5-179.2-60.3-178000110.9R221 F289 A292 H306 I308 L347 V352R221-I350 PolarHBondContact NH2-O 2.91Å; R221-I350 VanDerWaalsContact NH2-O 3.11Å; F289-I350 HydrophobicContact CD1-CD1 3.65Å; F289-I350 HydrophobicContact CE1-CD1 4.19Å; F289-I350 HydrophobicContact CE1-CG2 4.1Å; A292-I350 HydrophobicContact CB-CD1 3.47Å; A292-I350 VanDerWaalsContact CB-CD1 3.47Å; A292-I350 HydrophobicContact CB-CG1 3.62Å; H306-I350 WeakPolarHBondContact O-CA 3.35Å; I308-I350 HydrophobicContact CD1-CG2 4.41Å; L347-I350 HydrophobicContact CB-CD1 3.84Å; L347-I350 HydrophobicContact CB-CG1 4.12Å; L347-I350 HydrophobicContact CD1-CD1 3.44Å; L347-I350 VanDerWaalsContact CD1-CD1 3.44Å; L347-I350 HydrophobicContact CG-CD1 4.18Å; I350-V352 HydrophobicContact CG2-CG2 3.99Å
351L89.8Confident82.8Confident1 Ų147 Ų471%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-130.5117.8167.218069.1000109.8F218 R237 I239 L260 L305 H306 I307 I308 I353F218-L351 HydrophobicContact CE1-CD2 3.69Å; F218-L351 HydrophobicContact CZ-CD2 4.05Å; R237-L351 CarbonylContact O-C 3.5Å; R237-L351 WeakPolarHBondContact O-CA 3.39Å; I239-L351 HydrophobicContact CD1-CD1 3.98Å; I239-L351 HydrophobicContact CD1-CD2 4.43Å; I239-L351 HydrophobicContact CG1-CD1 4.14Å; L260-L351 HydrophobicContact CD1-CD2 4.23Å; L305-L351 HydrophobicContact CD1-CB 4.05Å; H306-L351 PolarHBondContact O-N 3.26Å; I307-L351 WeakPolarHBondContact CA-O 3.44Å; I307-L351 HydrophobicContact CG1-CB 4.48Å; I307-L351 HydrophobicContact CG1-CD2 4.48Å; I308-L351 PolarHBondContact N-O 3.45Å; L351-I353 HydrophobicContact CD2-CD1 4.27Å; L351-I353 HydrophobicContact CD2-CG1 4.35Å; L351-I353 HydrophobicContact CG-CG1 4.23Å
352V92.4Very high82.9Confident4 Ų446.8 Ų46.82%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-99.4122.8175.2-175.40000109.4R237 G238 I239 F289 I308 L310 I341 I350R237-V352 PolarHBondContact O-N 3.05Å; G238-V352 CarbonylContact C-O 3.57Å; G238-V352 WeakPolarHBondContact CA-O 3.37Å; I239-V352 PolarHBondContact N-O 3.43Å; F289-V352 HydrophobicContact CE1-CG2 4.19Å; F289-V352 HydrophobicContact CZ-CG2 3.97Å; I308-V352 CarbonylContact O-C 3.48Å; I308-V352 WeakPolarHBondContact O-CA 3.44Å; L310-V352 HydrophobicContact CD1-CG1 4.07Å; I341-V352 HydrophobicContact CG1-CG2 4.38Å; I350-V352 HydrophobicContact CG2-CG2 3.99Å
353I93.4Very high83.1Confident0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-110.5107.8174.6-54.8177.9000107.7I239 L241 A253 I256 I307 I308 I309 L310 L351I239-I353 CarbonylContact O-C 3.59Å; I239-I353 WeakPolarHBondContact O-CA 3.46Å; L241-I353 HydrophobicContact CD1-CG2 4.05Å; L241-I353 HydrophobicContact CG-CG2 4.25Å; A253-I353 HydrophobicContact CB-CG2 3.93Å; I256-I353 HydrophobicContact CB-CD1 4.35Å; I256-I353 HydrophobicContact CG2-CD1 3.81Å; I307-I353 HydrophobicContact CG2-CD1 4.13Å; I308-I353 PolarHBondContact O-N 3.46Å; I309-I353 WeakPolarHBondContact CA-O 3.44Å; I309-I353 HydrophobicContact CG1-CB 4.38Å; L310-I353 PolarHBondContact N-O 3.15Å; L351-I353 HydrophobicContact CD2-CD1 4.27Å; L351-I353 HydrophobicContact CD2-CG1 4.35Å; L351-I353 HydrophobicContact CG-CG1 4.23Å
354G93.9Very high83.8Confident0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-91.6138.7173.500000111.1I239 L240 L241I239-G354 PolarHBondContact O-N 3.39Å; L240-G354 CarbonylContact C-O 3.58Å; L240-G354 WeakPolarHBondContact CA-O 3.26Å; L241-G354 PolarHBondContact N-O 3.17Å
355M93.9Very high85Confident0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-122.4137.1175.5-58.4175-63.700110L241 T250 A253 I309 L310 D311 E312 L313L241-M355 HydrophobicContact CB-CG 4.32Å; L241-M355 HydrophobicContact CD1-CG 4.43Å; L241-M355 VanDerWaalsContact O-CA 3.32Å; L241-M355 WeakPolarHBondContact O-CA 3.4Å; T250-M355 VanDerWaalsContact CA-SD 3.55Å; T250-M355 HydrophobicContact CG2-CE 4.4Å; A253-M355 HydrophobicContact CB-CE 4.39Å; A253-M355 HydrophobicContact CB-CG 4.39Å; A253-M355 HydrophobicContact CB-SD 3.41Å; A253-M355 WeakPolarHBondContact CB-SD 3.4Å; I309-M355 HydrophobicContact CG2-CE 3.36Å; I309-M355 HydrophobicContact CG2-SD 4.21Å; L310-M355 PolarHBondContact O-N 3.37Å; D311-M355 HydrophobicContact CB-CE 3.5Å; D311-M355 VanDerWaalsContact CB-CE 3.5Å; E312-M355 PolarHBondContact N-O 2.86Å; L313-M355 WeakPolarHBondContact CB-O 3.23Å; L313-M355 PolarHBondContact N-O 3.48Å
356T91.8Very high86.1Confident2 Ų238 Ų381%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-146.7150.1176.8-1770000112L240 L241 Y242 G243 K249 R358 I362L240-T356 HydrophobicContact CD1-CG2 4.14Å; L241-T356 PolarHBondContact O-N 3.31Å; Y242-T356 VanDerWaalsContact CA-O 3.28Å; Y242-T356 WeakPolarHBondContact CA-O 3.28Å; Y242-T356 VanDerWaalsContact CB-CG2 3.46Å; G243-T356 PolarHBondContact N-O 3.4Å; K249-T356 WeakPolarHBondContact CD-O 3.07Å; K249-T356 VanDerWaalsContact CE-O 3.28Å; K249-T356 WeakPolarHBondContact CE-O 3.25Å; T356-R358 VanDerWaalsContact OG1-C 3.32Å; T356-R358 PolarHBondContact OG1-N 3.32Å; T356-R358 PolarHBondContact OG1-O 3.06Å; T356-I362 HydrophobicContact CG2-CD1 3.47Å; T356-I362 VanDerWaalsContact CG2-CD1 3.47Å
357N88.5Confident87Confident75 Ų7535.2 Ų35.240%0.40117%0.168SC..SBendtrans-86.4-19.2165.6-63.9-42.2000111.9G243 K249G243-N357 WeakPolarHBondContact O-CA 3.43Å; K249-N357 WeakPolarHBondContact CE-OD1 3.38Å; K249-N357 PolarHBondContact NZ-OD1 3.03Å
358R82Confident87.6Confident121 Ų12142.1 Ų42.146%0.45719%0.194SC..  trans-132.492-168.8-66-169.567-176.1-3.5110.7T356 D360 M361T356-R358 VanDerWaalsContact OG1-C 3.32Å; T356-R358 PolarHBondContact OG1-N 3.32Å; T356-R358 PolarHBondContact OG1-O 3.06Å; R358-D360 VanDerWaalsContact C-N 3.29Å; R358-D360 WeakPolarHBondContact CA-OD1 3.5Å; R358-D360 WeakPolarHBondContact CB-OD1 3.49Å; R358-D360 IonicContact CZ-OD2 2.68Å; R358-D360 IonicContact NE-OD1 2.89Å; R358-D360 IonicContact NE-OD2 3.97Å; R358-D360 IonicContact NH2-OD2 2.8Å; R358-D360 PolarHBondContact NH2-OD2 3.44Å; R358-D360 PolarHBondContact O-N 3.35Å; R358-M361 HydrophobicContact CB-CB 4.33Å; R358-M361 HydrophobicContact CB-CG 4.05Å; R358-M361 VanDerWaalsContact CZ-CG 3.5Å; R358-M361 PolarHBondContact NH2-SD 3.1Å; R358-M361 VanDerWaalsContact NH2-SD 3.4Å; R358-M361 PolarHBondContact O-N 3.19Å
359R86.5Confident88Confident106 Ų10644.1 Ų44.140%0.421%0.21SC..G310 helixtrans-66.8-32.9176.9179.5178.8173.8-143.7-1.1112.3Y242 M361 I362Y242-R359 HydrophobicContact CD2-CB 3.84Å; Y242-R359 HydrophobicContact CD2-CG 4.37Å; Y242-R359 HydrophobicContact CE2-CB 4.37Å; Y242-R359 VanDerWaalsContact CE2-CD 3.49Å; Y242-R359 HydrophobicContact CG-CB 4.01Å; Y242-R359 HydrophobicContact CG-CG 4.39Å; Y242-R359 VanDerWaalsContact CZ-CD 3.49Å; Y242-R359 PolarHBondContact OH-NH1 3.36Å; R359-M361 PolarHBondContact O-N 3.26Å; R359-I362 PolarHBondContact O-N 3.18Å
360D83.7Confident87.9Confident94 Ų9445.2 Ų45.250%0.50322%0.223SC..G310 helixtrans-56.8-31.7178.856.4-53.8000113.2Q319 R358Q319-D360 PolarHBondContact NE2-O 3.1Å; R358-D360 VanDerWaalsContact C-N 3.29Å; R358-D360 WeakPolarHBondContact CA-OD1 3.5Å; R358-D360 WeakPolarHBondContact CB-OD1 3.49Å; R358-D360 IonicContact CZ-OD2 2.68Å; R358-D360 IonicContact NE-OD1 2.89Å; R358-D360 IonicContact NE-OD2 3.97Å; R358-D360 IonicContact NH2-OD2 2.8Å; R358-D360 PolarHBondContact NH2-OD2 3.44Å; R358-D360 PolarHBondContact O-N 3.35Å
361M83.7Confident88Confident47 Ų4746.8 Ų46.823%0.23223%0.229CC..G310 helixtrans-83.1-12.7-177.1-66.8-62.1-60.100113.6D314 K318 Q319 R358 R359D314-M361 HydrophobicContact CB-CB 4.24Å; K318-M361 CarbonylContact C-O 3.53Å; K318-M361 VanDerWaalsContact CA-O 3.26Å; K318-M361 WeakPolarHBondContact CA-O 3.38Å; Q319-M361 PolarHBondContact N-O 2.88Å; R358-M361 HydrophobicContact CB-CB 4.33Å; R358-M361 HydrophobicContact CB-CG 4.05Å; R358-M361 VanDerWaalsContact CZ-CG 3.5Å; R358-M361 PolarHBondContact NH2-SD 3.1Å; R358-M361 VanDerWaalsContact NH2-SD 3.4Å; R358-M361 PolarHBondContact O-N 3.19Å; R359-M361 PolarHBondContact O-N 3.26Å
362I86.9Confident87.9Confident2 Ų246.9 Ų46.91%0.0123%0.229CC..BIsolated β-bridgetrans-78.8139.7-174.3-65.3-178.9000111.1L240 L313 C317 T356 R359 E364 L366 L367L240-I362 HydrophobicContact CD1-CD1 3.77Å; L240-I362 HydrophobicContact CD2-CD1 4.01Å; L313-I362 HydrophobicContact CD2-CD1 4.27Å; C317-I362 WeakPolarHBondContact O-CA 3.39Å; T356-I362 HydrophobicContact CG2-CD1 3.47Å; T356-I362 VanDerWaalsContact CG2-CD1 3.47Å; R359-I362 PolarHBondContact O-N 3.18Å; I362-E364 PolarHBondContact O-N 3.02Å; I362-L366 HydrophobicContact CG2-CB 4.49Å; I362-L366 HydrophobicContact CG2-CD1 4.4Å; I362-L367 HydrophobicContact CG2-CD2 4.12Å; I362-L367 HydrophobicContact CG2-CG 4.34Å
363D86.5Confident87.7Confident17 Ų1750.6 Ų50.69%0.09125%0.247CC..  trans-57.8121.3171-173.3-11.5000111.8C317 R320 V334 A365 L366C317-D363 PolarHBondContact O-N 3.09Å; R320-D363 IonicContact CZ-OD2 2.94Å; R320-D363 IonicContact NE-OD2 3.79Å; R320-D363 PolarHBondContact NE-OD2 2.71Å; R320-D363 IonicContact NH2-OD2 3.61Å; R320-D363 PolarHBondContact NH2-OD2 2.81Å; V334-D363 HydrophobicContact CG1-CB 4.4Å; V334-D363 WeakPolarHBondContact CG1-OD2 3.37Å; D363-A365 PolarHBondContact O-N 3.01Å; D363-A365 VanDerWaalsContact O-N 3.07Å; D363-A365 VanDerWaalsContact OD1-CB 3.26Å; D363-A365 WeakPolarHBondContact OD1-CB 3.31Å; D363-A365 PolarHBondContact OD1-N 3.37Å; D363-L366 HydrophobicContact CB-CD1 4.48Å; D363-L366 PolarHBondContact O-N 3.14Å
364E86.8Confident87.5Confident133 Ų13350.7 Ų50.762%0.62125%0.247SC*.THydrogen-bonded Turntrans-56.6-24.9177.3-64.1-172.516900113.1I362 L366 L367I362-E364 PolarHBondContact O-N 3.02Å; E364-L366 PolarHBondContact O-N 2.89Å; E364-L367 PolarHBondContact O-N 3.28Å; E364-L367 VanDerWaalsContact O-N 3.13Å
365A87.4Confident87.4Confident16 Ų1652.7 Ų52.713%0.13226%0.256CS..THydrogen-bonded Turntrans-60.1-33.8175.700000112.2L338 D363 R371L338-A365 HydrophobicContact CD1-CB 3.84Å; D363-A365 PolarHBondContact O-N 3.01Å; D363-A365 VanDerWaalsContact O-N 3.07Å; D363-A365 VanDerWaalsContact OD1-CB 3.26Å; D363-A365 WeakPolarHBondContact OD1-CB 3.31Å; D363-A365 PolarHBondContact OD1-N 3.37Å; A365-R371 WeakPolarHBondContact O-CD 3.48Å; A365-R371 PolarHBondContact O-NH1 2.95Å
366L88.6Confident87.2Confident0 Ų053.8 Ų53.80%026%0.262CS..THydrogen-bonded Turntrans-74.7-27.4177.4-75160.8000112.6C317 V334 L337 L338 I341 I362 D363 E364 R368 R371 L372C317-L366 HydrophobicContact CB-CD1 3.51Å; C317-L366 WeakPolarHBondContact SG-CD1 3.44Å; V334-L366 HydrophobicContact CG1-CD1 4.36Å; L337-L366 HydrophobicContact CD2-CD2 4.23Å; L338-L366 HydrophobicContact CD2-CB 4.49Å; L338-L366 HydrophobicContact CD2-CD2 3.34Å; L338-L366 HydrophobicContact CD2-CG 3.75Å; L338-L366 HydrophobicContact CG-CD2 3.99Å; L338-L366 HydrophobicContact CG-CG 4.33Å; I341-L366 HydrophobicContact CD1-CD2 4.4Å; I362-L366 HydrophobicContact CG2-CB 4.49Å; I362-L366 HydrophobicContact CG2-CD1 4.4Å; D363-L366 HydrophobicContact CB-CD1 4.48Å; D363-L366 PolarHBondContact O-N 3.14Å; E364-L366 PolarHBondContact O-N 2.89Å; L366-R368 VanDerWaalsContact C-N 3.26Å; L366-R368 PolarHBondContact O-N 2.87Å; L366-R371 VanDerWaalsContact O-CB 3.3Å; L366-R371 WeakPolarHBondContact O-CB 3.47Å; L366-L372 HydrophobicContact CB-CD1 4.1Å; L366-L372 VanDerWaalsContact O-CB 3.31Å; L366-L372 WeakPolarHBondContact O-CB 3.41Å; L366-L372 PolarHBondContact O-N 3.31Å
367L88.7Confident87.1Confident29 Ų2957.6 Ų57.615%0.15228%0.279CS..THydrogen-bonded Turntrans-78-7-174.5-60.2-175.9000113.8L240 I362 E364 Q375L240-L367 HydrophobicContact CD2-CD2 3.38Å; I362-L367 HydrophobicContact CG2-CD2 4.12Å; I362-L367 HydrophobicContact CG2-CG 4.34Å; E364-L367 PolarHBondContact O-N 3.28Å; E364-L367 VanDerWaalsContact O-N 3.13Å; L367-Q375 HydrophobicContact CD2-CG 4.47Å; L367-Q375 PolarHBondContact O-NE2 3.41Å
368R88.2Confident87.1Confident153 Ų15354 Ų5458%0.57726%0.26SS*.SBendtrans-71.8147.9-178-65-176.2-176.4175.71.1112.1L366 R371L366-R368 VanDerWaalsContact C-N 3.26Å; L366-R368 PolarHBondContact O-N 2.87Å; R368-R371 PolarHBondContact O-N 3.01Å; R368-R371 VanDerWaalsContact O-N 3.13Å
369P83.9Confident87.1Confident109 Ų10949.6 Ų49.671%0.70825%0.252SS*.THydrogen-bonded Turntrans-52.8142174.1-25.634.6000112.4R371 E373P369-R371 VanDerWaalsContact C-N 3.35Å; P369-E373 HydrophobicContact CB-CG 4.25Å
370G81.6Confident87Confident31 Ų3146.2 Ų46.232%0.3224%0.242SC..THydrogen-bonded Turntrans89.4-16.8-170.600000115.6E373G370-E373 PolarHBondContact N-OE2 3.46Å
371R89.2Confident87Confident43 Ų4342.3 Ų42.316%0.16222%0.221CC..SBendtrans-107-108.6175-61.9167.2-178.1-171.9-1.8110G238 I341 D342 A365 L366 R368 P369 E373G238-R371 WeakPolarHBondContact CA-O 3.41Å; G238-R371 PolarHBondContact N-O 2.87Å; G238-R371 VanDerWaalsContact N-O 3.14Å; I341-R371 HydrophobicContact CG2-CB 4.22Å; I341-R371 HydrophobicContact CG2-CG 4.21Å; D342-R371 IonicContact OD2-CZ 3.58Å; D342-R371 IonicContact OD2-NE 3.8Å; D342-R371 PolarHBondContact OD2-NE 2.79Å; D342-R371 IonicContact OD2-NH2 2.82Å; D342-R371 PolarHBondContact OD2-NH2 3.37Å; A365-R371 WeakPolarHBondContact O-CD 3.48Å; A365-R371 PolarHBondContact O-NH1 2.95Å; L366-R371 VanDerWaalsContact O-CB 3.3Å; L366-R371 WeakPolarHBondContact O-CB 3.47Å; R368-R371 PolarHBondContact O-N 3.01Å; R368-R371 VanDerWaalsContact O-N 3.13Å; P369-R371 VanDerWaalsContact C-N 3.35Å; R371-E373 VanDerWaalsContact C-N 3.26Å; R371-E373 PolarHBondContact O-N 3.02Å
372L88.3Confident87.1Confident3 Ų345.4 Ų45.42%0.01624%0.239CC..SBendtrans-88.466.5169.2-57.3179.5000109.8L240 L313 L366L240-L372 HydrophobicContact CB-CB 4.22Å; L240-L372 HydrophobicContact CB-CD1 4.28Å; L240-L372 HydrophobicContact CD1-CD1 4.24Å; L313-L372 HydrophobicContact CD2-CD1 3.82Å; L366-L372 HydrophobicContact CB-CD1 4.1Å; L366-L372 VanDerWaalsContact O-CB 3.31Å; L366-L372 WeakPolarHBondContact O-CB 3.41Å; L366-L372 PolarHBondContact O-N 3.31Å
373E88.2Confident87Confident82 Ų8250 Ų5038%0.38326%0.26SS..  trans-68.5-40.7-173.8-178.8176.9161.100112.7G238 P369 G370 R371 Q375G238-E373 PolarHBondContact O-N 2.91Å; P369-E373 HydrophobicContact CB-CG 4.25Å; G370-E373 PolarHBondContact N-OE2 3.46Å; R371-E373 VanDerWaalsContact C-N 3.26Å; R371-E373 PolarHBondContact O-N 3.02Å; E373-Q375 PolarHBondContact O-N 2.93Å
374V90.2Very high87.2Confident1 Ų155 Ų551%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-89.598.5-178.4179.30000108.7R216 V236 G238 I239 L240 M376R216-V374 HydrophobicContact CB-CG2 4.17Å; V236-V374 HydrophobicContact CG1-CG2 3.88Å; V236-V374 HydrophobicContact CG2-CG2 4.48Å; G238-V374 PolarHBondContact O-N 3.34Å; I239-V374 CarbonylContact C-O 3.49Å; I239-V374 WeakPolarHBondContact CA-O 3.38Å; I239-V374 HydrophobicContact CG1-CB 4.22Å; I239-V374 HydrophobicContact CG2-CB 4.48Å; I239-V374 HydrophobicContact CG2-CG1 4.3Å; L240-V374 PolarHBondContact N-O 2.81Å; V374-M376 HydrophobicContact CG1-CG 3.93Å; V374-M376 HydrophobicContact CG1-SD 4.44Å
375Q90.9Very high87.3Confident42 Ų4248.8 Ų48.820%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-98.8121.1175-59.6171.434.600108.9L240 Y242 L367 E373L240-Q375 HydrophobicContact CB-CG 4.28Å; L240-Q375 HydrophobicContact CD2-CG 4.32Å; L240-Q375 WeakPolarHBondContact O-CA 3.18Å; Y242-Q375 HydrophobicContact CE1-CB 4.07Å; L367-Q375 HydrophobicContact CD2-CG 4.47Å; L367-Q375 PolarHBondContact O-NE2 3.41Å; E373-Q375 PolarHBondContact O-N 2.93Å
376M90.4Very high87.4Confident23 Ų2349 Ų4911%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-124.8124-179.5-66.2-63.2-57.800110.2E209 A212 I213 L240 L241 Y242 V374E209-M376 HydrophobicContact CB-CE 4.04Å; E209-M376 HydrophobicContact CG-CE 4.3Å; A212-M376 HydrophobicContact CB-CE 3.99Å; I213-M376 HydrophobicContact CD1-CB 4.24Å; I213-M376 HydrophobicContact CD1-CG 3.87Å; I213-M376 HydrophobicContact CG1-CB 4.41Å; I213-M376 HydrophobicContact CG1-CE 4.39Å; I213-M376 HydrophobicContact CG1-CG 3.51Å; I213-M376 HydrophobicContact CG1-SD 4.29Å; L240-M376 PolarHBondContact O-N 3.43Å; L241-M376 HydrophobicContact CD2-CB 4.05Å; Y242-M376 VanDerWaalsContact CD1-O 3.27Å; Y242-M376 WeakPolarHBondContact CD1-O 3.26Å; Y242-M376 PolarHBondContact N-O 3.28Å; V374-M376 HydrophobicContact CG1-CG 3.93Å; V374-M376 HydrophobicContact CG1-SD 4.44Å
377E88.4Confident87.6Confident83 Ų8350.3 Ų50.339%0.38826%0.259SS..EExtended strand (participates in β ladder)trans-82.9124.3170.7-169.1174.9175.900108.8Y242Y242-E377 HydrophobicContact CD2-CB 4.27Å; Y242-E377 HydrophobicContact CD2-CG 4.11Å; Y242-E377 HydrophobicContact CE1-CB 4.24Å; Y242-E377 HydrophobicContact CE2-CB 3.63Å; Y242-E377 HydrophobicContact CE2-CG 3.66Å; Y242-E377 CarbonylContact O-C 3.42Å; Y242-E377 VanDerWaalsContact O-CA 3.27Å; Y242-E377 WeakPolarHBondContact O-CA 3.49Å
378I88.6Confident87.7Confident0 Ų050.9 Ų50.90%026%0.26CS..  trans-10199.4172-52.6-165.4000107.5L206 L241 Y242 P244 T247 K249 M252L206-I378 HydrophobicContact CD1-CG2 3.94Å; L206-I378 HydrophobicContact CD2-CG2 3.77Å; L241-I378 HydrophobicContact CB-CD1 4.28Å; L241-I378 HydrophobicContact CD1-CD1 4.35Å; L241-I378 HydrophobicContact CD2-CD1 4.38Å; Y242-I378 PolarHBondContact O-N 3.14Å; P244-I378 WeakPolarHBondContact CD-O 3.4Å; T247-I378 PolarHBondContact OG1-O 2.98Å; K249-I378 HydrophobicContact CB-CD1 4.33Å; K249-I378 HydrophobicContact CG-CB 4.17Å; K249-I378 HydrophobicContact CG-CD1 3.89Å; K249-I378 HydrophobicContact CG-CG1 4.29Å; M252-I378 HydrophobicContact CB-CD1 4.36Å; M252-I378 HydrophobicContact SD-CD1 3.4Å; M252-I378 WeakPolarHBondContact SD-CD1 3.34Å; M252-I378 HydrophobicContact SD-CG1 4.41Å
379G83Confident87.9Confident27 Ų2744.3 Ų44.328%0.27824%0.237SC..  trans-75.3-174.8179.100000113.7T247T247-G379 WeakPolarHBondContact CB-O 3.17Å; T247-G379 VanDerWaalsContact CG2-O 3.31Å; T247-G379 WeakPolarHBondContact CG2-O 3.27Å
380L83.2Confident88.3Confident36 Ų3639.1 Ų39.119%0.18820%0.203CC..PPolyproline II helixtrans-70.9146.8167.6-66.5170.2000109.5T247 N418 F475T247-L380 HydrophobicContact CG2-CD2 4.17Å; L380-N418 HydrophobicContact CD1-CB 4.13Å; L380-F475 HydrophobicContact CD1-CB 4.24Å; L380-F475 HydrophobicContact CD1-CD1 4.42Å
381P85.5Confident88.8Confident11 Ų1139.9 Ų39.97%0.07120%0.2CC..PPolyproline II helixtrans-68.3137.7179.828-34.8000112.2R386 I389 F419P381-R386 HydrophobicContact CB-CG 4.05Å; P381-R386 HydrophobicContact CG-CG 3.8Å; P381-R386 PolarHBondContact O-NH1 3.06Å; P381-R386 VanDerWaalsContact O-NH1 3.09Å; P381-I389 HydrophobicContact CB-CD1 3.8Å; P381-I389 HydrophobicContact CG-CD1 3.93Å; P381-F419 WeakPolarHBondContact CD-O 3.27Å; P381-F419 VanDerWaalsContact CG-O 3.24Å; P381-F419 WeakPolarHBondContact CG-O 3.27Å
382D84.3Confident88.9Confident113 Ų11339.8 Ų39.860%0.60420%0.202SC*.PPolyproline II helixtrans-64.3168.1169.3-69.8-24000111.2H384 G385 R386D382-H384 VanDerWaalsContact C-N 3.31Å; D382-H384 PolarHBondContact O-N 3.26Å; D382-G385 CarbonylContact O-C 3.52Å; D382-G385 WeakPolarHBondContact O-CA 3.26Å; D382-G385 PolarHBondContact O-N 3Å; D382-R386 WeakPolarHBondContact O-CG 3.46Å; D382-R386 PolarHBondContact O-N 3.15Å
383E86.4Confident89Confident98 Ų9842.7 Ų42.746%0.45822%0.215SC..Hα-helixtrans-54.1-45.3179.8-175.4169-161.300113.1G385 R386 L387 T414E383-G385 VanDerWaalsContact C-N 3.32Å; E383-G385 PolarHBondContact O-N 3.44Å; E383-R386 PolarHBondContact O-N 3.11Å; E383-L387 PolarHBondContact O-N 3.09Å; E383-T414 PolarHBondContact OE1-OG1 3.41Å
384H89.2Confident89.1Confident123 Ų12338.8 Ų38.857%0.56920%0.197SC*.Hα-helixtrans-63-39173.4-171.265.4000112.2D382 L387 Q388D382-H384 VanDerWaalsContact C-N 3.31Å; D382-H384 PolarHBondContact O-N 3.26Å; H384-L387 PolarHBondContact O-N 3.43Å; H384-Q388 PolarHBondContact CD2-NE2 3.38Å; H384-Q388 PolarHBondContact NE2-NE2 3.4Å; H384-Q388 VanDerWaalsContact NE2-NE2 3.13Å; H384-Q388 WeakPolarHBondContact O-CG 3.36Å; H384-Q388 PolarHBondContact O-N 2.94Å
385G89.1Confident89Confident2 Ų240.9 Ų40.92%0.02121%0.212CC..Hα-helixtrans-64.8-38.9175.900000112.9D382 E383 Q388 I389D382-G385 CarbonylContact O-C 3.52Å; D382-G385 WeakPolarHBondContact O-CA 3.26Å; D382-G385 PolarHBondContact O-N 3Å; E383-G385 VanDerWaalsContact C-N 3.32Å; E383-G385 PolarHBondContact O-N 3.44Å; G385-Q388 PolarHBondContact O-N 3.44Å; G385-I389 WeakPolarHBondContact O-CD1 3.36Å; G385-I389 VanDerWaalsContact O-CG1 3.23Å; G385-I389 WeakPolarHBondContact O-CG1 3.42Å; G385-I389 PolarHBondContact O-N 3.25Å
386R90.7Very high88.9Confident21 Ų2147.8 Ų47.88%0.07924%0.236CC..Hα-helixtrans-63.2-43.8174.3-65.3-165-64.7-84.84.2111.2P381 D382 E383 Q388 I389 L390 A413 T416 L424P381-R386 HydrophobicContact CB-CG 4.05Å; P381-R386 HydrophobicContact CG-CG 3.8Å; P381-R386 PolarHBondContact O-NH1 3.06Å; P381-R386 VanDerWaalsContact O-NH1 3.09Å; D382-R386 WeakPolarHBondContact O-CG 3.46Å; D382-R386 PolarHBondContact O-N 3.15Å; E383-R386 PolarHBondContact O-N 3.11Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; R386-Q388 PolarHBondContact O-N 2.89Å; R386-I389 PolarHBondContact O-N 3.14Å; R386-L390 WeakPolarHBondContact O-CB 3.36Å; R386-L390 WeakPolarHBondContact O-CG 3.19Å; R386-L390 PolarHBondContact O-N 2.87Å; R386-A413 HydrophobicContact CB-CB 4.26Å; R386-A413 PolarHBondContact NE-O 3.27Å; R386-A413 PolarHBondContact NH2-O 3.33Å; R386-T416 WeakPolarHBondContact CD-O 3.26Å; R386-T416 PolarHBondContact NE-O 3.01Å; R386-L424 HydrophobicContact CB-CD1 3.92Å; R386-L424 HydrophobicContact CG-CD1 3.91Å
387L92.7Very high88.9Confident27 Ų2747.5 Ų47.514%0.14123%0.234CC..Hα-helixtrans-59.6-43.5174.3177.6147.5000111.9E383 H384 L390 N391 D410 A413E383-L387 PolarHBondContact O-N 3.09Å; H384-L387 PolarHBondContact O-N 3.43Å; L387-L390 PolarHBondContact O-N 3.39Å; L387-N391 WeakPolarHBondContact CD2-ND2 3.23Å; L387-N391 WeakPolarHBondContact O-CB 3.32Å; L387-N391 PolarHBondContact O-N 2.71Å; L387-N391 PolarHBondContact O-ND2 3.34Å; L387-D410 HydrophobicContact CD1-CB 4.33Å; L387-D410 WeakPolarHBondContact CD1-OD1 3.5Å; L387-A413 HydrophobicContact CB-CB 4.01Å
388Q90.9Very high88.8Confident40 Ų4049.8 Ų49.819%0.18724%0.24CC..Hα-helixtrans-62.7-44.6176.1-72177-16.400111.4D207 H384 G385 R386 N391 I392D207-Q388 PolarHBondContact OD2-NE2 3.17Å; H384-Q388 PolarHBondContact CD2-NE2 3.38Å; H384-Q388 PolarHBondContact NE2-NE2 3.4Å; H384-Q388 VanDerWaalsContact NE2-NE2 3.13Å; H384-Q388 WeakPolarHBondContact O-CG 3.36Å; H384-Q388 PolarHBondContact O-N 2.94Å; G385-Q388 PolarHBondContact O-N 3.44Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; R386-Q388 PolarHBondContact O-N 2.89Å; Q388-N391 PolarHBondContact O-N 2.94Å; Q388-I392 WeakPolarHBondContact O-CD1 3.36Å; Q388-I392 VanDerWaalsContact O-CG1 3.27Å; Q388-I392 WeakPolarHBondContact O-CG1 3.2Å; Q388-I392 PolarHBondContact O-N 3.25Å
389I91.4Very high88.9Confident16 Ų1656.9 Ų56.98%0.08227%0.273CS..Hα-helixtrans-61.9-46.2177.2-67.4164000110.9P381 G385 R386 N391 I392 H393 L424P381-I389 HydrophobicContact CB-CD1 3.8Å; P381-I389 HydrophobicContact CG-CD1 3.93Å; G385-I389 WeakPolarHBondContact O-CD1 3.36Å; G385-I389 VanDerWaalsContact O-CG1 3.23Å; G385-I389 WeakPolarHBondContact O-CG1 3.42Å; G385-I389 PolarHBondContact O-N 3.25Å; R386-I389 PolarHBondContact O-N 3.14Å; I389-N391 VanDerWaalsContact C-N 3.34Å; I389-N391 PolarHBondContact O-N 2.95Å; I389-I392 PolarHBondContact O-N 3.4Å; I389-H393 PolarHBondContact O-CD2 3.43Å; I389-H393 PolarHBondContact O-N 2.94Å; I389-L424 HydrophobicContact CB-CD1 3.89Å; I389-L424 HydrophobicContact CD1-CD1 4.07Å; I389-L424 HydrophobicContact CG2-CB 3.93Å; I389-L424 HydrophobicContact CG2-CD1 3.7Å; I389-L424 HydrophobicContact CG2-CG 4.49Å
390L92.5Very high89.1Confident0 Ų063.1 Ų63.10%029%0.293CS..Hα-helixtrans-60.7-42.7175.8-74171.9000111.4R386 L387 I392 H393 T394 L412 A413 L424 V428R386-L390 WeakPolarHBondContact O-CB 3.36Å; R386-L390 WeakPolarHBondContact O-CG 3.19Å; R386-L390 PolarHBondContact O-N 2.87Å; L387-L390 PolarHBondContact O-N 3.39Å; L390-I392 VanDerWaalsContact C-N 3.35Å; L390-I392 PolarHBondContact O-N 3.09Å; L390-H393 PolarHBondContact O-N 3.35Å; L390-T394 WeakPolarHBondContact O-CB 3.4Å; L390-T394 VanDerWaalsContact O-CG2 3.27Å; L390-T394 WeakPolarHBondContact O-CG2 3.44Å; L390-T394 PolarHBondContact O-N 2.71Å; L390-T394 PolarHBondContact O-OG1 3.34Å; L390-L412 HydrophobicContact CD1-CB 3.95Å; L390-A413 HydrophobicContact CD1-CB 4.26Å; L390-L424 HydrophobicContact CD2-CB 4.46Å; L390-L424 HydrophobicContact CD2-CD2 4.18Å; L390-L424 HydrophobicContact CG-CD2 4.3Å; L390-V428 HydrophobicContact CD2-CG2 4Å
391N92.2Very high89.3Confident46 Ų4663.7 Ų63.725%0.24631%0.307CS..Hα-helixtrans-61.3-41.1174.5-86.1-60000112.3L387 Q388 I389 T394 S395 R398 L409L387-N391 WeakPolarHBondContact CD2-ND2 3.23Å; L387-N391 WeakPolarHBondContact O-CB 3.32Å; L387-N391 PolarHBondContact O-N 2.71Å; L387-N391 PolarHBondContact O-ND2 3.34Å; Q388-N391 PolarHBondContact O-N 2.94Å; I389-N391 VanDerWaalsContact C-N 3.34Å; I389-N391 PolarHBondContact O-N 2.95Å; N391-T394 WeakPolarHBondContact CA-OG1 3.41Å; N391-T394 PolarHBondContact O-N 2.67Å; N391-T394 PolarHBondContact O-OG1 3.15Å; N391-S395 WeakPolarHBondContact O-CA 3.45Å; N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 2.91Å; N391-R398 PolarHBondContact OD1-NH1 3.26Å; N391-R398 PolarHBondContact OD1-NH2 3.06Å; N391-L409 WeakPolarHBondContact OD1-CD1 3.2Å
392I90.2Very high89.4Confident41 Ų4166.3 Ų66.321%0.2132%0.317CS..Hα-helixtrans-62.3-48.5177.4-69.6160.3000110.5Q388 I389 L390 T394 S395Q388-I392 WeakPolarHBondContact O-CD1 3.36Å; Q388-I392 VanDerWaalsContact O-CG1 3.27Å; Q388-I392 WeakPolarHBondContact O-CG1 3.2Å; Q388-I392 PolarHBondContact O-N 3.25Å; I389-I392 PolarHBondContact O-N 3.4Å; L390-I392 VanDerWaalsContact C-N 3.35Å; L390-I392 PolarHBondContact O-N 3.09Å; I392-T394 PolarHBondContact O-N 2.7Å; I392-S395 PolarHBondContact O-N 3.42Å; I392-S395 PolarHBondContact O-OG 3.36Å
393H90.4Very high89.6Confident64 Ų6462.3 Ų62.330%0.29630%0.296SS..Hα-helixtrans-72-27.5-178.7-70.2-67000113.5I389 L390 V428I389-H393 PolarHBondContact O-CD2 3.43Å; I389-H393 PolarHBondContact O-N 2.94Å; L390-H393 PolarHBondContact O-N 3.35Å; H393-V428 HydrophobicContact CB-CG1 4.39Å; H393-V428 HydrophobicContact CB-CG2 4.15Å
394T90Very high89.7Confident0 Ų058.3 Ų58.30%028%0.28CS..Hα-helixtrans-90.7-11.9177.758.80000114L390 N391 I392 R396 M397 R398 L409 V428L390-T394 WeakPolarHBondContact O-CB 3.4Å; L390-T394 VanDerWaalsContact O-CG2 3.27Å; L390-T394 WeakPolarHBondContact O-CG2 3.44Å; L390-T394 PolarHBondContact O-N 2.71Å; L390-T394 PolarHBondContact O-OG1 3.34Å; N391-T394 WeakPolarHBondContact CA-OG1 3.41Å; N391-T394 PolarHBondContact O-N 2.67Å; N391-T394 PolarHBondContact O-OG1 3.15Å; I392-T394 PolarHBondContact O-N 2.7Å; T394-R396 PolarHBondContact O-N 3.48Å; T394-M397 HydrophobicContact CG2-SD 4.24Å; T394-M397 WeakPolarHBondContact O-CA 3.35Å; T394-M397 WeakPolarHBondContact O-CB 3.49Å; T394-M397 PolarHBondContact O-N 2.84Å; T394-R398 PolarHBondContact O-N 3.29Å; T394-L409 HydrophobicContact CG2-CD2 4.17Å; T394-V428 HydrophobicContact CG2-CG2 4.4Å
395S89.4Confident89.6Confident45 Ų4558 Ų5832%0.31530%0.298SS..Hα-helixtrans-50.1-53.4-179.260.30000112.9N391 I392 M397 R398 E399N391-S395 WeakPolarHBondContact O-CA 3.45Å; N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 2.91Å; I392-S395 PolarHBondContact O-N 3.42Å; I392-S395 PolarHBondContact O-OG 3.36Å; S395-M397 VanDerWaalsContact C-N 3.3Å; S395-M397 PolarHBondContact O-N 3.39Å; S395-R398 WeakPolarHBondContact O-CB 3.46Å; S395-R398 PolarHBondContact O-N 2.87Å; S395-R398 VanDerWaalsContact O-N 3.16Å; S395-E399 WeakPolarHBondContact O-CG 3.27Å; S395-E399 PolarHBondContact O-N 3.41Å
396R89Confident89.7Confident188 Ų18861.4 Ų61.471%0.70932%0.316SS*.Hα-helixtrans-60.7-38.8177.1-69.6-176.2177.8178.9-0.5112.4T394 R398 E399 F400T394-R396 PolarHBondContact O-N 3.48Å; R396-R398 VanDerWaalsContact C-N 3.29Å; R396-R398 PolarHBondContact O-N 3.44Å; R396-E399 PolarHBondContact O-N 3.11Å; R396-F400 WeakPolarHBondContact O-CD2 3.46Å; R396-F400 PolarHBondContact O-N 3.36Å; R396-F400 VanDerWaalsContact O-N 3.14Å
397M89.4Confident89.6Confident16 Ų1661.2 Ų61.28%0.07932%0.317CS..Hα-helixtrans-67-36.5179.5-55.9163.970.300110.8T394 S395 G401 K402 L403 V428 Q432 I458T394-M397 HydrophobicContact CG2-SD 4.24Å; T394-M397 WeakPolarHBondContact O-CA 3.35Å; T394-M397 WeakPolarHBondContact O-CB 3.49Å; T394-M397 PolarHBondContact O-N 2.84Å; S395-M397 VanDerWaalsContact C-N 3.3Å; S395-M397 PolarHBondContact O-N 3.39Å; M397-G401 PolarHBondContact O-N 2.97Å; M397-K402 PolarHBondContact O-N 2.77Å; M397-L403 HydrophobicContact CE-CD1 4.37Å; M397-V428 HydrophobicContact SD-CG1 3.78Å; M397-Q432 HydrophobicContact CE-CG 3.85Å; M397-Q432 HydrophobicContact SD-CG 4.46Å; M397-Q432 PolarHBondContact SD-NE2 3.4Å; M397-I458 HydrophobicContact CE-CB 4.24Å; M397-I458 HydrophobicContact CE-CD1 3.08Å; M397-I458 HydrophobicContact CE-CG1 4.22Å; M397-I458 HydrophobicContact CE-CG2 4.39Å
398R87.7Confident89.6Confident132 Ų13263.7 Ų63.750%0.49833%0.33SS..Hα-helixtrans-69.6-42.7174.9-167.6-178.4-70.1156.3-0.2111.5N391 T394 S395 R396 F400 G401N391-R398 PolarHBondContact OD1-NH1 3.26Å; N391-R398 PolarHBondContact OD1-NH2 3.06Å; T394-R398 PolarHBondContact O-N 3.29Å; S395-R398 WeakPolarHBondContact O-CB 3.46Å; S395-R398 PolarHBondContact O-N 2.87Å; S395-R398 VanDerWaalsContact O-N 3.16Å; R396-R398 VanDerWaalsContact C-N 3.29Å; R396-R398 PolarHBondContact O-N 3.44Å; R398-F400 VanDerWaalsContact C-N 3.3Å; R398-F400 PolarHBondContact O-N 3.45Å; R398-G401 PolarHBondContact O-N 3.47Å
399E89.1Confident89.6Confident149 Ų14962.2 Ų62.270%0.69632%0.324SS*.Hα-helixtrans-57.4-40.9176-74.9173.5-17900112.4S395 R396 G401S395-E399 WeakPolarHBondContact O-CG 3.27Å; S395-E399 PolarHBondContact O-N 3.41Å; R396-E399 PolarHBondContact O-N 3.11Å; E399-G401 VanDerWaalsContact C-N 3.32Å
400F88.7Confident89.6Confident158 Ų15866.1 Ų66.169%0.69335%0.345SS*.THydrogen-bonded Turntrans-87.56.1176.7-68.9-70.9000114.2R396 R398 K402R396-F400 WeakPolarHBondContact O-CD2 3.46Å; R396-F400 PolarHBondContact O-N 3.36Å; R396-F400 VanDerWaalsContact O-N 3.14Å; R398-F400 VanDerWaalsContact C-N 3.3Å; R398-F400 PolarHBondContact O-N 3.45Å; F400-K402 VanDerWaalsContact C-N 3.28Å; F400-K402 HydrophobicContact CB-CG 4.17Å; F400-K402 PolarHBondContact O-N 3.18Å
401G86.4Confident89.7Confident48 Ų4869.1 Ų69.150%0.49536%0.359SS..THydrogen-bonded Turntrans62.929.4178.700000114.5M397 R398 E399 L457M397-G401 PolarHBondContact O-N 2.97Å; R398-G401 PolarHBondContact O-N 3.47Å; E399-G401 VanDerWaalsContact C-N 3.32Å; G401-L457 WeakPolarHBondContact O-CD2 3.29Å
402K87.7Confident89.6Confident66 Ų6667.1 Ų67.129%0.28735%0.348SS..  trans-97.61.1-177.4-64.8-66.2178.4179.70114.2M397 F400 I453 E454 L456 L457 I458M397-K402 PolarHBondContact O-N 2.77Å; F400-K402 VanDerWaalsContact C-N 3.28Å; F400-K402 HydrophobicContact CB-CG 4.17Å; F400-K402 PolarHBondContact O-N 3.18Å; K402-I453 PolarHBondContact NZ-O 3.42Å; K402-E454 PolarHBondContact NZ-O 3.49Å; K402-L456 WeakPolarHBondContact CD-O 3.42Å; K402-L457 WeakPolarHBondContact O-CA 3.1Å; K402-I458 PolarHBondContact O-N 3.01Å
403L88.5Confident89.6Confident29 Ų2965.2 Ų65.215%0.15234%0.338CS..BIsolated β-bridgetrans-101.1125.9174.2-166.271.3000108.6M397 V407 F463M397-L403 HydrophobicContact CE-CD1 4.37Å; L403-V407 HydrophobicContact CD1-CB 4.16Å; L403-V407 HydrophobicContact CD1-CG1 4.17Å; L403-V407 HydrophobicContact CD1-CG2 3.97Å; L403-V407 HydrophobicContact CD2-CB 4.47Å; L403-V407 HydrophobicContact CG-CB 4.18Å; L403-V407 HydrophobicContact CG-CG2 4.27Å; L403-F463 HydrophobicContact CD1-CE2 4.05Å; L403-F463 HydrophobicContact CD1-CZ 4.44Å
404A88.5Confident89.5Confident14 Ų1465.3 Ų65.312%0.11634%0.344CS..  trans-70.7153.8175.500000111D406 V407 L457 I458 T459A404-D406 WeakPolarHBondContact CB-OD1 3.21Å; A404-D406 PolarHBondContact O-N 2.91Å; A404-V407 PolarHBondContact O-N 3.45Å; A404-L457 HydrophobicContact CB-CB 4.04Å; A404-L457 HydrophobicContact CB-CD1 4.45Å; A404-I458 WeakPolarHBondContact CB-O 3.33Å; A404-I458 PolarHBondContact N-O 2.7Å; A404-T459 HydrophobicContact CB-CG2 4.18Å
405A87.3Confident89.4Confident115 Ų11569.2 Ų69.295%0.9536%0.364SS*.THydrogen-bonded Turntrans-74-8-176.600000113.7V407A405-V407 VanDerWaalsContact C-N 3.32Å
406D90.9Very high89.1Confident74 Ų7467.1 Ų67.140%0.39635%0.349SS..THydrogen-bonded Turntrans-79.6-13.5175.267-31.6000113A404 D408 R460A404-D406 WeakPolarHBondContact CB-OD1 3.21Å; A404-D406 PolarHBondContact O-N 2.91Å; D406-D408 PolarHBondContact O-N 2.65Å; D406-R460 HydrophobicContact CB-CB 4.43Å; D406-R460 WeakPolarHBondContact OD2-CB 3.31Å; D406-R460 PolarHBondContact OD2-N 2.94Å
407V89.2Confident88.6Confident18 Ų1861.4 Ų61.411%0.10933%0.329CS..  trans-81.1104.9-179.2-175.80000110.1L403 A404 A405 L409 L412 F463L403-V407 HydrophobicContact CD1-CB 4.16Å; L403-V407 HydrophobicContact CD1-CG1 4.17Å; L403-V407 HydrophobicContact CD1-CG2 3.97Å; L403-V407 HydrophobicContact CD2-CB 4.47Å; L403-V407 HydrophobicContact CG-CB 4.18Å; L403-V407 HydrophobicContact CG-CG2 4.27Å; A404-V407 PolarHBondContact O-N 3.45Å; A405-V407 VanDerWaalsContact C-N 3.32Å; V407-L409 HydrophobicContact CG1-CD2 4.08Å; V407-L412 HydrophobicContact CG1-CD1 3.99Å; V407-F463 HydrophobicContact CG1-CD2 3.94Å; V407-F463 HydrophobicContact CG1-CE2 3.73Å; V407-F463 HydrophobicContact CG2-CD2 4.18Å; V407-F463 HydrophobicContact CG2-CE2 4.1Å
408D91.6Very high88.1Confident79 Ų7961.1 Ų61.142%0.42233%0.328SS..  trans-90.7116.5168.9-172.64.8000110.8D406 D410 E411 L412D406-D408 PolarHBondContact O-N 2.65Å; D408-D410 VanDerWaalsContact C-N 3.35Å; D408-D410 WeakPolarHBondContact OD1-CB 3.28Å; D408-D410 PolarHBondContact OD1-N 2.86Å; D408-E411 HydrophobicContact CB-CB 3.91Å; D408-L412 WeakPolarHBondContact O-CG 3.41Å; D408-L412 PolarHBondContact O-N 2.96Å
409L91.6Very high88Confident9 Ų955.1 Ų55.15%0.04731%0.306CS..Hα-helixtrans-75.7-26179.9-61.6-176.8000112.4N391 T394 V407 L412 A413N391-L409 WeakPolarHBondContact OD1-CD1 3.2Å; T394-L409 HydrophobicContact CG2-CD2 4.17Å; V407-L409 HydrophobicContact CG1-CD2 4.08Å; L409-L412 HydrophobicContact CD2-CD1 4.16Å; L409-L412 PolarHBondContact O-N 3.37Å; L409-A413 WeakPolarHBondContact O-CB 3.28Å; L409-A413 PolarHBondContact O-N 3.3Å
410D92.4Very high87.8Confident97 Ų9748.3 Ų48.352%0.51927%0.274SS..Hα-helixtrans-66.4-46.4174.4-72.6-90.5000109.6L387 D408 L412 A413 T414L387-D410 HydrophobicContact CD1-CB 4.33Å; L387-D410 WeakPolarHBondContact CD1-OD1 3.5Å; D408-D410 VanDerWaalsContact C-N 3.35Å; D408-D410 WeakPolarHBondContact OD1-CB 3.28Å; D408-D410 PolarHBondContact OD1-N 2.86Å; D410-L412 VanDerWaalsContact C-N 3.35Å; D410-L412 PolarHBondContact O-N 2.95Å; D410-A413 PolarHBondContact O-N 3.17Å; D410-A413 VanDerWaalsContact O-N 3.17Å; D410-T414 PolarHBondContact O-N 3.49Å; D410-T414 PolarHBondContact O-OG1 3.19Å
411E92.7Very high87.8Confident64 Ų6441.4 Ų41.430%0.29925%0.248SC..Hα-helixtrans-55.8-48.2173.5-173.1-175-169.600111.6D408 A413 T414 L415 R460D408-E411 HydrophobicContact CB-CB 3.91Å; E411-A413 VanDerWaalsContact C-N 3.35Å; E411-A413 PolarHBondContact O-N 2.94Å; E411-T414 PolarHBondContact O-N 3.36Å; E411-L415 HydrophobicContact CG-CD1 4.08Å; E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 3.38Å; E411-R460 IonicContact OE1-CZ 2.67Å; E411-R460 IonicContact OE1-NE 3.49Å; E411-R460 PolarHBondContact OE1-NE 2.77Å; E411-R460 IonicContact OE1-NH2 3.45Å; E411-R460 PolarHBondContact OE1-NH2 3.42Å; E411-R460 IonicContact OE2-CZ 2.89Å; E411-R460 IonicContact OE2-NE 3.62Å; E411-R460 PolarHBondContact OE2-NE 3.18Å; E411-R460 IonicContact OE2-NH2 2.79Å
412L91.6Very high87.9Confident4 Ų441.6 Ų41.62%0.02125%0.245CC..Hα-helixtrans-61.2-42.4177.7-67.3178.6000111.8L390 V407 D408 L409 D410 T414 L415 T416 F463L390-L412 HydrophobicContact CD1-CB 3.95Å; V407-L412 HydrophobicContact CG1-CD1 3.99Å; D408-L412 WeakPolarHBondContact O-CG 3.41Å; D408-L412 PolarHBondContact O-N 2.96Å; L409-L412 HydrophobicContact CD2-CD1 4.16Å; L409-L412 PolarHBondContact O-N 3.37Å; D410-L412 VanDerWaalsContact C-N 3.35Å; D410-L412 PolarHBondContact O-N 2.95Å; L412-T414 VanDerWaalsContact C-N 3.3Å; L412-T414 PolarHBondContact O-N 3.01Å; L412-L415 PolarHBondContact O-N 3.37Å; L412-T416 WeakPolarHBondContact O-CB 3.47Å; L412-T416 VanDerWaalsContact O-CG2 3.27Å; L412-T416 WeakPolarHBondContact O-CG2 3.4Å; L412-T416 PolarHBondContact O-N 3.28Å; L412-T416 PolarHBondContact O-OG1 3.44Å; L412-F463 HydrophobicContact CD1-CB 4.15Å; L412-F463 HydrophobicContact CD1-CD1 3.74Å; L412-F463 HydrophobicContact CD1-CD2 4.12Å; L412-F463 HydrophobicContact CD1-CE1 4.1Å; L412-F463 HydrophobicContact CD1-CE2 4.45Å; L412-F463 HydrophobicContact CD1-CG 3.74Å; L412-F463 HydrophobicContact CD1-CZ 4.44Å; L412-F463 HydrophobicContact CD2-CB 3.78Å; L412-F463 HydrophobicContact CD2-CG 4.3Å
413A90.5Very high88.1Confident1 Ų139.6 Ų39.61%0.00824%0.237CC..Hα-helixtrans-63.2-34.817900000112.8R386 L387 L390 L409 D410 E411R386-A413 HydrophobicContact CB-CB 4.26Å; R386-A413 PolarHBondContact NE-O 3.27Å; R386-A413 PolarHBondContact NH2-O 3.33Å; L387-A413 HydrophobicContact CB-CB 4.01Å; L390-A413 HydrophobicContact CD1-CB 4.26Å; L409-A413 WeakPolarHBondContact O-CB 3.28Å; L409-A413 PolarHBondContact O-N 3.3Å; D410-A413 PolarHBondContact O-N 3.17Å; D410-A413 VanDerWaalsContact O-N 3.17Å; E411-A413 VanDerWaalsContact C-N 3.35Å; E411-A413 PolarHBondContact O-N 2.94Å
414T88.3Confident88.2Confident66 Ų6638.2 Ų38.241%0.40523%0.229SC..Hα-helixtrans-70.9-38.5174.4-57.20000111.9E383 D410 E411 L412 K417E383-T414 PolarHBondContact OE1-OG1 3.41Å; D410-T414 PolarHBondContact O-N 3.49Å; D410-T414 PolarHBondContact O-OG1 3.19Å; E411-T414 PolarHBondContact O-N 3.36Å; L412-T414 VanDerWaalsContact C-N 3.3Å; L412-T414 PolarHBondContact O-N 3.01Å; T414-K417 WeakPolarHBondContact O-CG 3.46Å
415L86.1Confident88.3Confident82 Ų8240.5 Ų40.543%0.42924%0.238SC..Hα-helixtrans-73-37.2178.7-69.5173.4000112.8E411 L412 K417 L464 L467E411-L415 HydrophobicContact CG-CD1 4.08Å; E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 3.38Å; L412-L415 PolarHBondContact O-N 3.37Å; L415-K417 PolarHBondContact O-N 3.24Å; L415-L464 HydrophobicContact CD1-CD2 4.01Å; L415-L467 HydrophobicContact CB-CD2 4.2Å
416T84.3Confident88.6Confident0 Ų036.2 Ų36.20%021%0.205CC..SBendtrans-82.252.5-176.962.20000112.9R386 L412 N418 F419 L424 L427 L467R386-T416 WeakPolarHBondContact CD-O 3.26Å; R386-T416 PolarHBondContact NE-O 3.01Å; L412-T416 WeakPolarHBondContact O-CB 3.47Å; L412-T416 VanDerWaalsContact O-CG2 3.27Å; L412-T416 WeakPolarHBondContact O-CG2 3.4Å; L412-T416 PolarHBondContact O-N 3.28Å; L412-T416 PolarHBondContact O-OG1 3.44Å; T416-N418 PolarHBondContact O-N 3.28Å; T416-F419 HydrophobicContact CG2-CD1 4.31Å; T416-F419 HydrophobicContact CG2-CE1 4.46Å; T416-F419 HydrophobicContact CG2-CG 4.4Å; T416-F419 PolarHBondContact O-N 3.1Å; T416-L424 HydrophobicContact CG2-CD2 4.13Å; T416-L427 HydrophobicContact CG2-CD2 3.48Å; T416-L427 VanDerWaalsContact CG2-CD2 3.48Å; T416-L467 HydrophobicContact CG2-CD1 4.08Å
417K79.2Confident88.7Confident68 Ų6832.8 Ų32.830%0.29619%0.186SC..THydrogen-bonded Turntrans-60.3135.9179.1-63-179-178.2172.60110.5T414 L415 F419T414-K417 WeakPolarHBondContact O-CG 3.46Å; L415-K417 PolarHBondContact O-N 3.24Å; K417-F419 WeakPolarHBondContact O-CD2 3.3Å; K417-F419 PolarHBondContact O-N 3.24Å; K417-F419 VanDerWaalsContact O-N 3.15Å
418N78.3Confident88.9Confident11 Ų1132.1 Ų32.16%0.05918%0.182CC..THydrogen-bonded Turntrans62.47.7-179.6-74.1-17.7000117.4L380 T416 S420 P546L380-N418 HydrophobicContact CD1-CB 4.13Å; T416-N418 PolarHBondContact O-N 3.28Å; N418-S420 PolarHBondContact O-N 3.48Å; N418-P546 PolarHBondContact ND2-O 3.07Å
419F84.8Confident88.9Confident6 Ų635.5 Ų35.53%0.02619%0.189CC..  trans-64.5131.8173.9-82.9-129.2000110.3P381 T416 K417 E423 L424 L467 V471 P473P381-F419 WeakPolarHBondContact CD-O 3.27Å; P381-F419 VanDerWaalsContact CG-O 3.24Å; P381-F419 WeakPolarHBondContact CG-O 3.27Å; T416-F419 HydrophobicContact CG2-CD1 4.31Å; T416-F419 HydrophobicContact CG2-CE1 4.46Å; T416-F419 HydrophobicContact CG2-CG 4.4Å; T416-F419 PolarHBondContact O-N 3.1Å; K417-F419 WeakPolarHBondContact O-CD2 3.3Å; K417-F419 PolarHBondContact O-N 3.24Å; K417-F419 VanDerWaalsContact O-N 3.15Å; F419-E423 WeakPolarHBondContact CA-OE2 3.35Å; F419-E423 HydrophobicContact CB-CB 4.24Å; F419-E423 HydrophobicContact CD1-CB 3.68Å; F419-E423 HydrophobicContact CE1-CB 4.36Å; F419-E423 HydrophobicContact CG-CB 4.19Å; F419-L424 HydrophobicContact CB-CD2 3.71Å; F419-L424 HydrophobicContact CB-CG 3.88Å; F419-L424 HydrophobicContact CD1-CD2 4.2Å; F419-L424 HydrophobicContact CG-CD2 4.29Å; F419-L467 HydrophobicContact CE1-CD1 4.01Å; F419-L467 HydrophobicContact CE2-CD1 4.14Å; F419-L467 HydrophobicContact CZ-CD1 3.47Å; F419-L467 VanDerWaalsContact CZ-CD1 3.47Å; F419-V471 HydrophobicContact CE1-CB 4.48Å; F419-V471 HydrophobicContact CE1-CG1 3.74Å; F419-V471 HydrophobicContact CZ-CG1 4.48Å; F419-P473 HydrophobicContact CD2-CB 3.96Å; F419-P473 HydrophobicContact CE2-CB 3.75Å; F419-P473 HydrophobicContact CE2-CG 3.9Å; F419-P473 HydrophobicContact CZ-CB 4.43Å
420S86.4Confident89Confident5 Ų535.6 Ų35.64%0.03519%0.192CC..  trans-74.3163.6169.367.30000111N418 A422 E423 L424N418-S420 PolarHBondContact O-N 3.48Å; S420-A422 PolarHBondContact O-N 3.49Å; S420-E423 PolarHBondContact N-OE2 3.39Å; S420-E423 PolarHBondContact O-N 2.9Å; S420-E423 VanDerWaalsContact OG-CG 3.31Å; S420-E423 WeakPolarHBondContact OG-CG 3.31Å; S420-E423 PolarHBondContact OG-N 3.17Å; S420-E423 PolarHBondContact OG-OE2 3.3Å; S420-L424 WeakPolarHBondContact O-CG 3.42Å; S420-L424 PolarHBondContact O-N 2.84Å
421G88.2Confident89Confident14 Ų1431 Ų3114%0.14417%0.167CC..Hα-helixtrans-56.9-37.6178.100000113.1G246 L424 E425G246-G421 PolarHBondContact O-N 3.43Å; G421-L424 PolarHBondContact O-N 3.26Å; G421-E425 PolarHBondContact O-N 2.9Å
422A89Confident89Confident51 Ų5130.6 Ų30.642%0.42117%0.165SC..Hα-helixtrans-68.4-34.6175.500000113.2G246 S420 G426G246-A422 PolarHBondContact O-N 2.71Å; S420-A422 PolarHBondContact O-N 3.49Å; A422-G426 PolarHBondContact O-N 3.43Å
423E89.9Confident88.9Confident24 Ų2433.2 Ų33.211%0.11218%0.184CC..Hα-helixtrans-73.7-36.9176.3-70.9160.416800111.6F419 S420 G426 L427 V471 A474F419-E423 WeakPolarHBondContact CA-OE2 3.35Å; F419-E423 HydrophobicContact CB-CB 4.24Å; F419-E423 HydrophobicContact CD1-CB 3.68Å; F419-E423 HydrophobicContact CE1-CB 4.36Å; F419-E423 HydrophobicContact CG-CB 4.19Å; S420-E423 PolarHBondContact N-OE2 3.39Å; S420-E423 PolarHBondContact O-N 2.9Å; S420-E423 VanDerWaalsContact OG-CG 3.31Å; S420-E423 WeakPolarHBondContact OG-CG 3.31Å; S420-E423 PolarHBondContact OG-N 3.17Å; S420-E423 PolarHBondContact OG-OE2 3.3Å; E423-G426 CarbonylContact O-C 3.42Å; E423-G426 WeakPolarHBondContact O-CA 3.37Å; E423-G426 PolarHBondContact O-N 3.01Å; E423-L427 PolarHBondContact O-N 3.37Å; E423-V471 HydrophobicContact CB-CG1 4.48Å; E423-A474 WeakPolarHBondContact OE1-CA 3.22Å; E423-A474 WeakPolarHBondContact OE1-CB 3.39Å; E423-A474 PolarHBondContact OE1-N 2.83Å
424L91.6Very high88.9Confident0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-63.6-42.3171.7-68174.5000111.5R386 I389 L390 T416 F419 S420 G421 G426 L427 V428R386-L424 HydrophobicContact CB-CD1 3.92Å; R386-L424 HydrophobicContact CG-CD1 3.91Å; I389-L424 HydrophobicContact CB-CD1 3.89Å; I389-L424 HydrophobicContact CD1-CD1 4.07Å; I389-L424 HydrophobicContact CG2-CB 3.93Å; I389-L424 HydrophobicContact CG2-CD1 3.7Å; I389-L424 HydrophobicContact CG2-CG 4.49Å; L390-L424 HydrophobicContact CD2-CB 4.46Å; L390-L424 HydrophobicContact CD2-CD2 4.18Å; L390-L424 HydrophobicContact CG-CD2 4.3Å; T416-L424 HydrophobicContact CG2-CD2 4.13Å; F419-L424 HydrophobicContact CB-CD2 3.71Å; F419-L424 HydrophobicContact CB-CG 3.88Å; F419-L424 HydrophobicContact CD1-CD2 4.2Å; F419-L424 HydrophobicContact CG-CD2 4.29Å; S420-L424 WeakPolarHBondContact O-CG 3.42Å; S420-L424 PolarHBondContact O-N 2.84Å; G421-L424 PolarHBondContact O-N 3.26Å; L424-G426 VanDerWaalsContact C-N 3.3Å; L424-G426 PolarHBondContact O-N 3.32Å; L424-L427 PolarHBondContact O-N 2.82Å; L424-V428 WeakPolarHBondContact O-CG2 3.46Å; L424-V428 PolarHBondContact O-N 2.98Å; L424-V428 VanDerWaalsContact O-N 3.09Å
425E91.4Very high88.9Confident63 Ų6330.9 Ų30.929%0.29417%0.17SC..Hα-helixtrans-61.1-42.6171.2-176.6177.4-169.800111.1G421 L427 V428 R429G421-E425 PolarHBondContact O-N 2.9Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 2.97Å; E425-V428 PolarHBondContact O-N 3.29Å; E425-R429 WeakPolarHBondContact O-CG 3.38Å; E425-R429 PolarHBondContact O-N 2.96Å; E425-R429 IonicContact OE1-CZ 3.47Å; E425-R429 VanDerWaalsContact OE1-CZ 3.25Å; E425-R429 IonicContact OE1-NE 3.91Å; E425-R429 PolarHBondContact OE1-NE 2.99Å; E425-R429 IonicContact OE1-NH2 2.69Å; E425-R429 PolarHBondContact OE1-NH2 3.45Å
426G92.2Very high88.9Confident25 Ų2532.1 Ų32.126%0.25818%0.175SC..Hα-helixtrans-57.3-44.3174.300000112.6A422 E423 L424 R429 A430A422-G426 PolarHBondContact O-N 3.43Å; E423-G426 CarbonylContact O-C 3.42Å; E423-G426 WeakPolarHBondContact O-CA 3.37Å; E423-G426 PolarHBondContact O-N 3.01Å; L424-G426 VanDerWaalsContact C-N 3.3Å; L424-G426 PolarHBondContact O-N 3.32Å; G426-R429 PolarHBondContact O-N 3.45Å; G426-A430 WeakPolarHBondContact O-CB 3.32Å; G426-A430 PolarHBondContact O-N 2.94Å
427L92.7Very high88.9Confident1 Ų136.6 Ų36.61%0.00520%0.199CC..Hα-helixtrans-61.3-46.5177.3179.567.9000111.3T416 E423 L424 E425 R429 A430 A431 F463 A466 L467T416-L427 HydrophobicContact CG2-CD2 3.48Å; T416-L427 VanDerWaalsContact CG2-CD2 3.48Å; E423-L427 PolarHBondContact O-N 3.37Å; L424-L427 PolarHBondContact O-N 2.82Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 2.97Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.45Å; L427-A430 PolarHBondContact O-N 2.98Å; L427-A431 WeakPolarHBondContact O-CB 3.35Å; L427-A431 PolarHBondContact O-N 3.31Å; L427-F463 HydrophobicContact CG-CD1 4.27Å; L427-A466 HydrophobicContact CD1-CB 3.89Å; L427-L467 HydrophobicContact CD1-CB 4.09Å; L427-L467 HydrophobicContact CD1-CD1 4.26Å
428V93.3Very high89Confident4 Ų439 Ų392%0.02421%0.206CC..Hα-helixtrans-62.7-41.9176.8176.10000110.9L390 H393 T394 M397 L424 E425 A431 Q432 F463L390-V428 HydrophobicContact CD2-CG2 4Å; H393-V428 HydrophobicContact CB-CG1 4.39Å; H393-V428 HydrophobicContact CB-CG2 4.15Å; T394-V428 HydrophobicContact CG2-CG2 4.4Å; M397-V428 HydrophobicContact SD-CG1 3.78Å; L424-V428 WeakPolarHBondContact O-CG2 3.46Å; L424-V428 PolarHBondContact O-N 2.98Å; L424-V428 VanDerWaalsContact O-N 3.09Å; E425-V428 PolarHBondContact O-N 3.29Å; V428-A431 PolarHBondContact O-N 3.17Å; V428-Q432 VanDerWaalsContact O-CG 3.25Å; V428-Q432 WeakPolarHBondContact O-CG 3.37Å; V428-Q432 PolarHBondContact O-N 3.25Å; V428-F463 HydrophobicContact CG2-CE1 4.15Å
429R93.5Very high88.9Confident150 Ų15040.4 Ų40.457%0.56621%0.213SC*.Hα-helixtrans-66.6-38.7176.5-72.6179.1-177.2-170.82.5112.6E425 G426 L427 Q432 S433E425-R429 WeakPolarHBondContact O-CG 3.38Å; E425-R429 PolarHBondContact O-N 2.96Å; E425-R429 IonicContact OE1-CZ 3.47Å; E425-R429 VanDerWaalsContact OE1-CZ 3.25Å; E425-R429 IonicContact OE1-NE 3.91Å; E425-R429 PolarHBondContact OE1-NE 2.99Å; E425-R429 IonicContact OE1-NH2 2.69Å; E425-R429 PolarHBondContact OE1-NH2 3.45Å; G426-R429 PolarHBondContact O-N 3.45Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.45Å; R429-Q432 WeakPolarHBondContact O-CB 3.29Å; R429-Q432 PolarHBondContact O-N 2.77Å; R429-S433 WeakPolarHBondContact O-CB 3.36Å; R429-S433 PolarHBondContact O-N 3.33Å
430A92.8Very high88.4Confident12 Ų1243.6 Ų43.610%0.09923%0.23CC..Hα-helixtrans-66.9-43.1176.500000111.2G426 L427 Q432 S433 S434 A466 D470 V471G426-A430 WeakPolarHBondContact O-CB 3.32Å; G426-A430 PolarHBondContact O-N 2.94Å; L427-A430 PolarHBondContact O-N 2.98Å; A430-Q432 VanDerWaalsContact C-N 3.34Å; A430-Q432 PolarHBondContact O-N 2.98Å; A430-S433 WeakPolarHBondContact O-CB 3.48Å; A430-S433 PolarHBondContact O-N 3.38Å; A430-S433 VanDerWaalsContact O-N 3.14Å; A430-S434 PolarHBondContact O-N 3.22Å; A430-A466 HydrophobicContact CB-CB 3.69Å; A430-D470 HydrophobicContact CB-CB 3.89Å; A430-V471 HydrophobicContact CB-CG2 3.83Å
431A92.5Very high87.5Confident0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-60.8-41.517300000112.1L427 V428 S434 A435 I458 D462 F463 A466L427-A431 WeakPolarHBondContact O-CB 3.35Å; L427-A431 PolarHBondContact O-N 3.31Å; V428-A431 PolarHBondContact O-N 3.17Å; A431-S434 PolarHBondContact O-N 3.1Å; A431-A435 WeakPolarHBondContact O-CB 3.45Å; A431-A435 PolarHBondContact O-N 2.82Å; A431-I458 HydrophobicContact CB-CG2 4.26Å; A431-D462 HydrophobicContact CB-CB 4.27Å; A431-F463 HydrophobicContact CB-CD1 3.61Å; A431-F463 HydrophobicContact CB-CD2 4.2Å; A431-F463 HydrophobicContact CB-CE1 3.71Å; A431-F463 HydrophobicContact CB-CE2 4.29Å; A431-F463 HydrophobicContact CB-CG 3.87Å; A431-F463 HydrophobicContact CB-CZ 4.06Å; A431-A466 HydrophobicContact CB-CB 4.45Å
432Q91.9Very high86.2Confident56 Ų5653.5 Ų53.526%0.26229%0.289SS..Hα-helixtrans-59.8-45.6172.3-73.8169-100111.8M397 V428 R429 A430 A435 M436 I458M397-Q432 HydrophobicContact CE-CG 3.85Å; M397-Q432 HydrophobicContact SD-CG 4.46Å; M397-Q432 PolarHBondContact SD-NE2 3.4Å; V428-Q432 VanDerWaalsContact O-CG 3.25Å; V428-Q432 WeakPolarHBondContact O-CG 3.37Å; V428-Q432 PolarHBondContact O-N 3.25Å; R429-Q432 WeakPolarHBondContact O-CB 3.29Å; R429-Q432 PolarHBondContact O-N 2.77Å; A430-Q432 VanDerWaalsContact C-N 3.34Å; A430-Q432 PolarHBondContact O-N 2.98Å; Q432-A435 PolarHBondContact O-N 3.4Å; Q432-M436 WeakPolarHBondContact O-CB 3.41Å; Q432-M436 VanDerWaalsContact O-CG 3.25Å; Q432-M436 WeakPolarHBondContact O-CG 3.36Å; Q432-M436 PolarHBondContact O-N 2.95Å; Q432-I458 HydrophobicContact CB-CD1 4.25Å; Q432-I458 HydrophobicContact CG-CD1 3.6Å
433S90.6Very high84.7Confident59 Ų5955.4 Ų55.441%0.41330%0.295SS..Hα-helixtrans-62.7-45.1177.9-174.60000111.9R429 A430 M436 N437R429-S433 WeakPolarHBondContact O-CB 3.36Å; R429-S433 PolarHBondContact O-N 3.33Å; A430-S433 WeakPolarHBondContact O-CB 3.48Å; A430-S433 PolarHBondContact O-N 3.38Å; A430-S433 VanDerWaalsContact O-N 3.14Å; S433-M436 PolarHBondContact O-N 3.37Å; S433-N437 WeakPolarHBondContact O-CB 3.46Å; S433-N437 PolarHBondContact O-N 3.11Å; S433-N437 PolarHBondContact O-ND2 2.58Å
434S89.2Confident83.1Confident17 Ų1760.4 Ų60.412%0.11933%0.332CS..Hα-helixtrans-59.8-47.8176.3-171.80000111.1A430 A431 M436 N437 R438A430-S434 PolarHBondContact O-N 3.22Å; A431-S434 PolarHBondContact O-N 3.1Å; S434-M436 VanDerWaalsContact C-N 3.34Å; S434-M436 PolarHBondContact O-N 3.33Å; S434-N437 WeakPolarHBondContact O-CB 3.31Å; S434-N437 PolarHBondContact O-N 3.22Å; S434-N437 VanDerWaalsContact O-N 3.14Å; S434-R438 PolarHBondContact O-N 2.93Å; S434-R438 VanDerWaalsContact O-N 3.15Å
435A88.3Confident81.8Confident0 Ų068.3 Ų68.30%037%0.367CS..Hα-helixtrans-61.5-41.217700000112.3A431 Q432 R438 L456 I458A431-A435 WeakPolarHBondContact O-CB 3.45Å; A431-A435 PolarHBondContact O-N 2.82Å; Q432-A435 PolarHBondContact O-N 3.4Å; A435-R438 WeakPolarHBondContact O-CB 3.43Å; A435-R438 PolarHBondContact O-N 3.2Å; A435-L456 HydrophobicContact CB-CD1 4.12Å; A435-L456 WeakPolarHBondContact O-CD1 3.34Å; A435-I458 HydrophobicContact CB-CB 4.41Å; A435-I458 HydrophobicContact CB-CG1 3.52Å
436M86.3Confident80.6Confident109 Ų10970.2 Ų70.254%0.53738%0.383SS..Hα-helixtrans-64.5-40.1174.6-73.4179.9-173.200112Q432 S433 S434 R438 L439 L456Q432-M436 WeakPolarHBondContact O-CB 3.41Å; Q432-M436 VanDerWaalsContact O-CG 3.25Å; Q432-M436 WeakPolarHBondContact O-CG 3.36Å; Q432-M436 PolarHBondContact O-N 2.95Å; S433-M436 PolarHBondContact O-N 3.37Å; S434-M436 VanDerWaalsContact C-N 3.34Å; S434-M436 PolarHBondContact O-N 3.33Å; M436-R438 VanDerWaalsContact C-N 3.25Å; M436-R438 PolarHBondContact O-N 3.3Å; M436-L439 WeakPolarHBondContact O-CB 3.48Å; M436-L439 PolarHBondContact O-N 3.3Å; M436-L456 HydrophobicContact CG-CD2 4.16Å
437N85.4Confident79.3Confident94 Ų9472.7 Ų72.750%0.50339%0.393SS..Hα-helixtrans-62.5-30.7177.7-79.2-29.5000112.5S433 S434 L439 I440S433-N437 WeakPolarHBondContact O-CB 3.46Å; S433-N437 PolarHBondContact O-N 3.11Å; S433-N437 PolarHBondContact O-ND2 2.58Å; S434-N437 WeakPolarHBondContact O-CB 3.31Å; S434-N437 PolarHBondContact O-N 3.22Å; S434-N437 VanDerWaalsContact O-N 3.14Å; N437-L439 PolarHBondContact O-N 3.33Å; N437-I440 PolarHBondContact O-N 3.31Å
438R81.1Confident78.1Confident117 Ų11777.2 Ų77.244%0.44242%0.416SS..Hα-helixtrans-61.3-26173.9-63.4-172.3-56.9-155.1-4.8113.6S434 A435 M436 L457 T459 D462S434-R438 PolarHBondContact O-N 2.93Å; S434-R438 VanDerWaalsContact O-N 3.15Å; A435-R438 WeakPolarHBondContact O-CB 3.43Å; A435-R438 PolarHBondContact O-N 3.2Å; M436-R438 VanDerWaalsContact C-N 3.25Å; M436-R438 PolarHBondContact O-N 3.3Å; R438-L457 PolarHBondContact NH2-O 3.03Å; R438-T459 PolarHBondContact NH1-OG1 2.86Å; R438-D462 VanDerWaalsContact CZ-CG 3.45Å; R438-D462 IonicContact CZ-OD1 3.45Å; R438-D462 IonicContact CZ-OD2 2.74Å; R438-D462 IonicContact NE-OD1 2.9Å; R438-D462 PolarHBondContact NE-OD1 3.32Å; R438-D462 VanDerWaalsContact NH1-CG 3.3Å; R438-D462 IonicContact NH1-OD1 3.01Å; R438-D462 PolarHBondContact NH1-OD1 3.06Å; R438-D462 IonicContact NH1-OD2 3.12Å; R438-D462 PolarHBondContact NH1-OD2 2.95Å; R438-D462 VanDerWaalsContact NH1-OD2 3.08Å; R438-D462 IonicContact NH2-OD1 3.47Å; R438-D462 PolarHBondContact NH2-OD1 3.17Å; R438-D462 IonicContact NH2-OD2 3.47Å; R438-D462 PolarHBondContact NH2-OD2 3.18Å
439L77.1Confident76.9Confident42 Ų4280.4 Ų80.422%0.2243%0.433CS..Hα-helixtrans-81.2-22.6176.6-63.2179.6000112.9M436 N437 K441 A452 L456M436-L439 WeakPolarHBondContact O-CB 3.48Å; M436-L439 PolarHBondContact O-N 3.3Å; N437-L439 PolarHBondContact O-N 3.33Å; L439-K441 PolarHBondContact O-N 3.09Å; L439-A452 HydrophobicContact CD2-CB 3.6Å; L439-L456 HydrophobicContact CD1-CB 4.08Å; L439-L456 HydrophobicContact CD1-CD1 3.81Å; L439-L456 HydrophobicContact CD1-CD2 3.87Å; L439-L456 HydrophobicContact CD1-CG 4.12Å; L439-L456 HydrophobicContact CD2-CD1 4.39Å; L439-L456 HydrophobicContact CG-CD1 3.95Å
440I74.1Confident75.9Confident73 Ų7377.6 Ų77.637%0.37443%0.434SS..  trans-80.594-178.8-58.9174.9000107.8N437 A442 V446N437-I440 PolarHBondContact O-N 3.31Å; I440-A442 PolarHBondContact O-N 2.8Å; I440-V446 HydrophobicContact CG2-CG1 4.21Å
441K65.7Low75Confident119 Ų11982.6 Ų82.652%0.51746%0.459SS..  trans-64.7118165.6-70.3172.7-174.8155.50107.5L439 T443 D449L439-K441 PolarHBondContact O-N 3.09Å; K441-T443 PolarHBondContact O-N 3.43Å; K441-D449 IonicContact NZ-OD2 2.58Å; K441-D449 PolarHBondContact NZ-OD2 2.86Å
442A62.8Low74Confident108 Ų10883.9 Ų83.989%0.89347%0.47SS*.  trans-70.354.4175.500000111.9I440I440-A442 PolarHBondContact O-N 2.8Å
443T56.4Low73.2Confident91 Ų9185.3 Ų85.356%0.55848%0.479SS*.SBendtrans-95.6153.7166.2-44.60000107.6K441 K445K441-T443 PolarHBondContact O-N 3.43Å; T443-K445 CarbonylContact O-C 3.59Å; T443-K445 VanDerWaalsContact O-C 3.29Å; T443-K445 PolarHBondContact O-N 2.71Å
444S57Low72.4Confident128 Ų12890 Ų9090%0.89549%0.494SS*.SBendtrans-53.9-9.2-170.736.30000116.8
445K63.3Low71.8Confident166 Ų16697.1 Ų97.172%0.72252%0.523SS*.SBendtrans-124.9127.5161.8-70.5-178.5177.9179.10108.2T443 T447T443-K445 CarbonylContact O-C 3.59Å; T443-K445 VanDerWaalsContact O-C 3.29Å; T443-K445 PolarHBondContact O-N 2.71Å; K445-T447 VanDerWaalsContact C-N 3.28Å; K445-T447 HydrophobicContact CB-CG2 4.37Å; K445-T447 PolarHBondContact O-N 2.74Å
446V66.7Low71.6Confident104 Ų10498.4 Ų98.463%0.6353%0.53SS*.  trans-65.991.3171.4179.70000107.7I440 I448I440-V446 HydrophobicContact CG2-CG1 4.21Å; V446-I448 HydrophobicContact CG1-CG1 4.4Å
447T65.2Low71.6Confident77 Ų7796.8 Ų96.847%0.47252%0.522SS..  trans-98.8119.3171.9520000108K445K445-T447 VanDerWaalsContact C-N 3.28Å; K445-T447 HydrophobicContact CB-CG2 4.37Å; K445-T447 PolarHBondContact O-N 2.74Å
448I67.2Low71.9Confident96 Ų9692.9 Ų92.949%0.49250%0.501SS..  trans-94.8117174.4-52.8172.1000106.7V446 P450 I453V446-I448 HydrophobicContact CG1-CG1 4.4Å; I448-P450 WeakPolarHBondContact O-CD 3.38Å; I448-I453 HydrophobicContact CG2-CD1 3.58Å; I448-I453 HydrophobicContact CG2-CG1 3.59Å
449D67.9Low72.3Confident71 Ų7188.6 Ų88.638%0.3849%0.489SS..  trans-71.4115.9174.2-69.1-32.4000107.9K441 D451 A452 I453K441-D449 IonicContact NZ-OD2 2.58Å; K441-D449 PolarHBondContact NZ-OD2 2.86Å; D449-D451 VanDerWaalsContact C-N 3.26Å; D449-D451 PolarHBondContact O-N 3.44Å; D449-A452 HydrophobicContact CB-CB 3.95Å; D449-A452 WeakPolarHBondContact O-CA 3.46Å; D449-A452 VanDerWaalsContact O-CB 3.31Å; D449-A452 WeakPolarHBondContact O-CB 3.17Å; D449-A452 PolarHBondContact O-N 2.82Å; D449-I453 PolarHBondContact O-N 3.03Å
450P73.2Confident73.1Confident91 Ų9190.6 Ų90.659%0.59149%0.493SS*.Hα-helixtrans-60-35.4-175.320-29.9000112.7I448 A452 I453 E454I448-P450 WeakPolarHBondContact O-CD 3.38Å; P450-A452 PolarHBondContact O-N 2.99Å; P450-I453 WeakPolarHBondContact O-CB 3.32Å; P450-I453 PolarHBondContact O-N 3.26Å; P450-I453 VanDerWaalsContact O-N 3.1Å; P450-E454 PolarHBondContact O-N 3.45Å
451D73.1Confident73.9Confident116 Ų11693.9 Ų93.962%0.6251%0.507SS*.Hα-helixtrans-61.9-28174.9-63.6-12.6000112.7D449 K455D449-D451 VanDerWaalsContact C-N 3.26Å; D449-D451 PolarHBondContact O-N 3.44Å; D451-K455 WeakPolarHBondContact O-CG 3.34Å; D451-K455 PolarHBondContact O-N 3.04Å
452A72.6Confident75.1Confident28 Ų2888.4 Ų88.423%0.23148%0.483CS..Hα-helixtrans-79.3-24.9179.700000111.7L439 D449 P450 L456L439-A452 HydrophobicContact CD2-CB 3.6Å; D449-A452 HydrophobicContact CB-CB 3.95Å; D449-A452 WeakPolarHBondContact O-CA 3.46Å; D449-A452 VanDerWaalsContact O-CB 3.31Å; D449-A452 WeakPolarHBondContact O-CB 3.17Å; D449-A452 PolarHBondContact O-N 2.82Å; P450-A452 PolarHBondContact O-N 2.99Å; A452-L456 PolarHBondContact O-N 2.94Å; A452-L456 VanDerWaalsContact O-N 3.1Å
453I73.6Confident76.5Confident86 Ų8683.3 Ų83.344%0.44144%0.441SS..Hα-helixtrans-68.1-42.4172.9-54.3175.8000110.4K402 I448 D449 P450 K455 L456K402-I453 PolarHBondContact NZ-O 3.42Å; I448-I453 HydrophobicContact CG2-CD1 3.58Å; I448-I453 HydrophobicContact CG2-CG1 3.59Å; D449-I453 PolarHBondContact O-N 3.03Å; P450-I453 WeakPolarHBondContact O-CB 3.32Å; P450-I453 PolarHBondContact O-N 3.26Å; P450-I453 VanDerWaalsContact O-N 3.1Å; I453-K455 VanDerWaalsContact C-N 3.31Å; I453-K455 PolarHBondContact O-N 2.9Å; I453-L456 WeakPolarHBondContact O-CB 3.43Å; I453-L456 PolarHBondContact O-N 3.4Å
454E74.4Confident78.2Confident156 Ų15680.9 Ų80.973%0.72942%0.424SS*.Hα-helixtrans-64.1-39.7178.3-71-166166.900111.6K402 P450 L456K402-E454 PolarHBondContact NZ-O 3.49Å; P450-E454 PolarHBondContact O-N 3.45Å; E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.49Å
455K77.1Confident79.7Confident168 Ų16880.5 Ų80.573%0.7340%0.404SS*.THydrogen-bonded Turntrans-81.7-2.8178.9-66.8176.8-176.8172.90114.8D451 I453 L457D451-K455 WeakPolarHBondContact O-CG 3.34Å; D451-K455 PolarHBondContact O-N 3.04Å; I453-K455 VanDerWaalsContact C-N 3.31Å; I453-K455 PolarHBondContact O-N 2.9Å; K455-L457 PolarHBondContact O-N 3.25Å
456L82.6Confident81Confident27 Ų2772.6 Ų72.614%0.14137%0.37CS..  trans-63.7114-179.8-175.562.8000110.2K402 A435 M436 L439 A452 I453 E454K402-L456 WeakPolarHBondContact CD-O 3.42Å; A435-L456 HydrophobicContact CB-CD1 4.12Å; A435-L456 WeakPolarHBondContact O-CD1 3.34Å; M436-L456 HydrophobicContact CG-CD2 4.16Å; L439-L456 HydrophobicContact CD1-CB 4.08Å; L439-L456 HydrophobicContact CD1-CD1 3.81Å; L439-L456 HydrophobicContact CD1-CD2 3.87Å; L439-L456 HydrophobicContact CD1-CG 4.12Å; L439-L456 HydrophobicContact CD2-CD1 4.39Å; L439-L456 HydrophobicContact CG-CD1 3.95Å; A452-L456 PolarHBondContact O-N 2.94Å; A452-L456 VanDerWaalsContact O-N 3.1Å; I453-L456 WeakPolarHBondContact O-CB 3.43Å; I453-L456 PolarHBondContact O-N 3.4Å; E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.49Å
457L87.8Confident82Confident74 Ų7469.7 Ų69.739%0.38735%0.35SS..  trans-118140.6168.7-61.3175.4000108.4G401 K402 A404 R438 K455G401-L457 WeakPolarHBondContact O-CD2 3.29Å; K402-L457 WeakPolarHBondContact O-CA 3.1Å; A404-L457 HydrophobicContact CB-CB 4.04Å; A404-L457 HydrophobicContact CB-CD1 4.45Å; R438-L457 PolarHBondContact NH2-O 3.03Å; K455-L457 PolarHBondContact O-N 3.25Å
458I90.3Very high82.8Confident12 Ų1272.8 Ų72.86%0.06236%0.36CS..BIsolated β-bridgetrans-88.8120.7172.5-67.2157.4000107.1M397 K402 A404 A431 Q432 A435 D462 F463M397-I458 HydrophobicContact CE-CB 4.24Å; M397-I458 HydrophobicContact CE-CD1 3.08Å; M397-I458 HydrophobicContact CE-CG1 4.22Å; M397-I458 HydrophobicContact CE-CG2 4.39Å; K402-I458 PolarHBondContact O-N 3.01Å; A404-I458 WeakPolarHBondContact CB-O 3.33Å; A404-I458 PolarHBondContact N-O 2.7Å; A431-I458 HydrophobicContact CB-CG2 4.26Å; Q432-I458 HydrophobicContact CB-CD1 4.25Å; Q432-I458 HydrophobicContact CG-CD1 3.6Å; A435-I458 HydrophobicContact CB-CB 4.41Å; A435-I458 HydrophobicContact CB-CG1 3.52Å; I458-D462 HydrophobicContact CG2-CB 4.27Å; I458-F463 HydrophobicContact CG2-CD2 4.16Å; I458-F463 HydrophobicContact CG2-CE2 3.6Å; I458-F463 HydrophobicContact CG2-CZ 4.21Å
459T91Very high83.6Confident28 Ų2872.4 Ų72.417%0.17236%0.359CS..  trans-102.1164.7-171.1580000110.9A404 R438 E461 D462A404-T459 HydrophobicContact CB-CG2 4.18Å; R438-T459 PolarHBondContact NH1-OG1 2.86Å; T459-E461 PolarHBondContact O-N 3.29Å; T459-D462 PolarHBondContact N-OD2 2.92Å; T459-D462 WeakPolarHBondContact O-CB 3.42Å; T459-D462 PolarHBondContact O-N 2.9Å; T459-D462 VanDerWaalsContact O-N 3.12Å; T459-D462 PolarHBondContact OG1-OD2 2.98Å
460R92.2Very high84.2Confident83 Ų8373.3 Ų73.331%0.31336%0.363SS..Hα-helixtrans-58.3-36.5176.1-179.3178.6169.9-80.6-2.5112.1D406 E411 D462 F463 L464D406-R460 HydrophobicContact CB-CB 4.43Å; D406-R460 WeakPolarHBondContact OD2-CB 3.31Å; D406-R460 PolarHBondContact OD2-N 2.94Å; E411-R460 IonicContact OE1-CZ 2.67Å; E411-R460 IonicContact OE1-NE 3.49Å; E411-R460 PolarHBondContact OE1-NE 2.77Å; E411-R460 IonicContact OE1-NH2 3.45Å; E411-R460 PolarHBondContact OE1-NH2 3.42Å; E411-R460 IonicContact OE2-CZ 2.89Å; E411-R460 IonicContact OE2-NE 3.62Å; E411-R460 PolarHBondContact OE2-NE 3.18Å; E411-R460 IonicContact OE2-NH2 2.79Å; R460-D462 VanDerWaalsContact C-N 3.27Å; R460-D462 PolarHBondContact O-N 3.21Å; R460-F463 PolarHBondContact O-N 3.12Å; R460-L464 HydrophobicContact CG-CD1 4.49Å; R460-L464 VanDerWaalsContact NH1-CD1 3.3Å; R460-L464 PolarHBondContact O-N 3.44Å; R460-L464 VanDerWaalsContact O-N 3.1Å
461E91.7Very high84.6Confident143 Ų14370 Ų7067%0.66834%0.341SS*.Hα-helixtrans-60.4-35177.4-65.7-176.4173.300112.7T459 F463 L464 Y465T459-E461 PolarHBondContact O-N 3.29Å; E461-F463 VanDerWaalsContact C-N 3.33Å; E461-F463 PolarHBondContact O-N 3.32Å; E461-L464 PolarHBondContact O-N 3.01Å; E461-Y465 VanDerWaalsContact O-CB 3.27Å; E461-Y465 WeakPolarHBondContact O-CB 3.43Å; E461-Y465 PolarHBondContact O-N 2.88Å
462D92Very high84.7Confident4 Ų469.9 Ų69.92%0.02134%0.335CS..Hα-helixtrans-66.3-38.2178.5-59.6-56.2000111.5A431 R438 I458 T459 R460 A466A431-D462 HydrophobicContact CB-CB 4.27Å; R438-D462 VanDerWaalsContact CZ-CG 3.45Å; R438-D462 IonicContact CZ-OD1 3.45Å; R438-D462 IonicContact CZ-OD2 2.74Å; R438-D462 IonicContact NE-OD1 2.9Å; R438-D462 PolarHBondContact NE-OD1 3.32Å; R438-D462 VanDerWaalsContact NH1-CG 3.3Å; R438-D462 IonicContact NH1-OD1 3.01Å; R438-D462 PolarHBondContact NH1-OD1 3.06Å; R438-D462 IonicContact NH1-OD2 3.12Å; R438-D462 PolarHBondContact NH1-OD2 2.95Å; R438-D462 VanDerWaalsContact NH1-OD2 3.08Å; R438-D462 IonicContact NH2-OD1 3.47Å; R438-D462 PolarHBondContact NH2-OD1 3.17Å; R438-D462 IonicContact NH2-OD2 3.47Å; R438-D462 PolarHBondContact NH2-OD2 3.18Å; I458-D462 HydrophobicContact CG2-CB 4.27Å; T459-D462 PolarHBondContact N-OD2 2.92Å; T459-D462 WeakPolarHBondContact O-CB 3.42Å; T459-D462 PolarHBondContact O-N 2.9Å; T459-D462 VanDerWaalsContact O-N 3.12Å; T459-D462 PolarHBondContact OG1-OD2 2.98Å; R460-D462 VanDerWaalsContact C-N 3.27Å; R460-D462 PolarHBondContact O-N 3.21Å; D462-A466 VanDerWaalsContact O-CB 3.26Å; D462-A466 WeakPolarHBondContact O-CB 3.44Å; D462-A466 PolarHBondContact O-N 2.77Å
463F91.6Very high84.8Confident0 Ų069.8 Ų69.80%033%0.333CS..Hα-helixtrans-69.7-42.1176.6-78.2-79.2000112.2L403 V407 L412 L427 V428 A431 I458 R460 E461 A466 L467L403-F463 HydrophobicContact CD1-CE2 4.05Å; L403-F463 HydrophobicContact CD1-CZ 4.44Å; V407-F463 HydrophobicContact CG1-CD2 3.94Å; V407-F463 HydrophobicContact CG1-CE2 3.73Å; V407-F463 HydrophobicContact CG2-CD2 4.18Å; V407-F463 HydrophobicContact CG2-CE2 4.1Å; L412-F463 HydrophobicContact CD1-CB 4.15Å; L412-F463 HydrophobicContact CD1-CD1 3.74Å; L412-F463 HydrophobicContact CD1-CD2 4.12Å; L412-F463 HydrophobicContact CD1-CE1 4.1Å; L412-F463 HydrophobicContact CD1-CE2 4.45Å; L412-F463 HydrophobicContact CD1-CG 3.74Å; L412-F463 HydrophobicContact CD1-CZ 4.44Å; L412-F463 HydrophobicContact CD2-CB 3.78Å; L412-F463 HydrophobicContact CD2-CG 4.3Å; L427-F463 HydrophobicContact CG-CD1 4.27Å; V428-F463 HydrophobicContact CG2-CE1 4.15Å; A431-F463 HydrophobicContact CB-CD1 3.61Å; A431-F463 HydrophobicContact CB-CD2 4.2Å; A431-F463 HydrophobicContact CB-CE1 3.71Å; A431-F463 HydrophobicContact CB-CE2 4.29Å; A431-F463 HydrophobicContact CB-CG 3.87Å; A431-F463 HydrophobicContact CB-CZ 4.06Å; I458-F463 HydrophobicContact CG2-CD2 4.16Å; I458-F463 HydrophobicContact CG2-CE2 3.6Å; I458-F463 HydrophobicContact CG2-CZ 4.21Å; R460-F463 PolarHBondContact O-N 3.12Å; E461-F463 VanDerWaalsContact C-N 3.33Å; E461-F463 PolarHBondContact O-N 3.32Å; F463-A466 PolarHBondContact O-N 3.26Å; F463-L467 WeakPolarHBondContact O-CB 3.23Å; F463-L467 PolarHBondContact O-N 3.1Å
464L90.8Very high84.5Confident41 Ų4170 Ų7022%0.21535%0.347CS..Hα-helixtrans-65.2-44.1176.3-68.3-178.5000111.5L415 R460 E461 A466 L467 E468L415-L464 HydrophobicContact CD1-CD2 4.01Å; R460-L464 HydrophobicContact CG-CD1 4.49Å; R460-L464 VanDerWaalsContact NH1-CD1 3.3Å; R460-L464 PolarHBondContact O-N 3.44Å; R460-L464 VanDerWaalsContact O-N 3.1Å; E461-L464 PolarHBondContact O-N 3.01Å; L464-A466 VanDerWaalsContact C-N 3.31Å; L464-A466 PolarHBondContact O-N 2.92Å; L464-L467 PolarHBondContact O-N 3.25Å; L464-E468 WeakPolarHBondContact O-CG 3.45Å; L464-E468 PolarHBondContact O-N 3.38Å
465Y89.8Confident84Confident120 Ų12064.2 Ų64.247%0.47132%0.319SS..Hα-helixtrans-59.1-43.4175.5-179-89.7000111.7E461 E468 N469E461-Y465 VanDerWaalsContact O-CB 3.27Å; E461-Y465 WeakPolarHBondContact O-CB 3.43Å; E461-Y465 PolarHBondContact O-N 2.88Å; Y465-E468 PolarHBondContact O-N 2.82Å; Y465-N469 WeakPolarHBondContact CD2-ND2 3.03Å; Y465-N469 HydrophobicContact CE1-CB 4.36Å; Y465-N469 VanDerWaalsContact CE2-ND2 3.26Å; Y465-N469 WeakPolarHBondContact CE2-ND2 3.38Å; Y465-N469 WeakPolarHBondContact O-CB 3.28Å; Y465-N469 PolarHBondContact O-N 2.87Å; Y465-N469 PolarHBondContact O-ND2 2.84Å; Y465-N469 VanDerWaalsContact O-ND2 3.16Å
466A90.6Very high83.1Confident0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-65.1-37.1177.400000112.7L427 A430 A431 D462 F463 L464 D470 V471L427-A466 HydrophobicContact CD1-CB 3.89Å; A430-A466 HydrophobicContact CB-CB 3.69Å; A431-A466 HydrophobicContact CB-CB 4.45Å; D462-A466 VanDerWaalsContact O-CB 3.26Å; D462-A466 WeakPolarHBondContact O-CB 3.44Å; D462-A466 PolarHBondContact O-N 2.77Å; F463-A466 PolarHBondContact O-N 3.26Å; L464-A466 VanDerWaalsContact C-N 3.31Å; L464-A466 PolarHBondContact O-N 2.92Å; A466-D470 PolarHBondContact O-N 2.91Å; A466-V471 PolarHBondContact O-N 2.91Å
467L86.6Confident82Confident42 Ų4258.2 Ų58.222%0.2230%0.296CS..Hα-helixtrans-67.7-38.5177.3-171.369.5000112L415 T416 F419 L427 F463 L464L415-L467 HydrophobicContact CB-CD2 4.2Å; T416-L467 HydrophobicContact CG2-CD1 4.08Å; F419-L467 HydrophobicContact CE1-CD1 4.01Å; F419-L467 HydrophobicContact CE2-CD1 4.14Å; F419-L467 HydrophobicContact CZ-CD1 3.47Å; F419-L467 VanDerWaalsContact CZ-CD1 3.47Å; L427-L467 HydrophobicContact CD1-CB 4.09Å; L427-L467 HydrophobicContact CD1-CD1 4.26Å; F463-L467 WeakPolarHBondContact O-CB 3.23Å; F463-L467 PolarHBondContact O-N 3.1Å; L464-L467 PolarHBondContact O-N 3.25Å
468E83.7Confident80.8Confident143 Ų14355.3 Ų55.367%0.66828%0.281SS*.Hα-helixtrans-76.6-40.7-179.2-72178.9178.500112.9L464 Y465L464-E468 WeakPolarHBondContact O-CG 3.45Å; L464-E468 PolarHBondContact O-N 3.38Å; Y465-E468 PolarHBondContact O-N 2.82Å
469N82.9Confident79.8Confident88 Ų8856.7 Ų56.747%0.47129%0.292SS..Hα-helixtrans-109.3-36.8-167.1-61.7-65.8000114.8Y465Y465-N469 WeakPolarHBondContact CD2-ND2 3.03Å; Y465-N469 HydrophobicContact CE1-CB 4.36Å; Y465-N469 VanDerWaalsContact CE2-ND2 3.26Å; Y465-N469 WeakPolarHBondContact CE2-ND2 3.38Å; Y465-N469 WeakPolarHBondContact O-CB 3.28Å; Y465-N469 PolarHBondContact O-N 2.87Å; Y465-N469 PolarHBondContact O-ND2 2.84Å; Y465-N469 VanDerWaalsContact O-ND2 3.16Å
470D80.8Confident79Confident89 Ų8959.2 Ų59.248%0.47631%0.305SS..THydrogen-bonded Turntrans-102.6-42.3-165.9-66.5-33000113.1A430 A466A430-D470 HydrophobicContact CB-CB 3.89Å; A466-D470 PolarHBondContact O-N 2.91Å
471V82Confident78.3Confident21 Ų2157.6 Ų57.613%0.12730%0.302CS..  trans-120.5100.5-169.7-172.30000111.3F419 E423 A430 A466F419-V471 HydrophobicContact CE1-CB 4.48Å; F419-V471 HydrophobicContact CE1-CG1 3.74Å; F419-V471 HydrophobicContact CZ-CG1 4.48Å; E423-V471 HydrophobicContact CB-CG1 4.48Å; A430-V471 HydrophobicContact CB-CG2 3.83Å; A466-V471 PolarHBondContact O-N 2.91Å
472K75.1Confident77.9Confident114 Ų11451.2 Ų51.250%0.49627%0.272SS..  trans-93142.4169.8-61.7-168.1-178.6-165.50110.9A474 D480K472-A474 PolarHBondContact O-N 3.24Å; K472-D480 IonicContact NZ-OD1 3.41Å; K472-D480 PolarHBondContact NZ-OD1 2.94Å; K472-D480 IonicContact NZ-OD2 2.64Å; K472-D480 PolarHBondContact NZ-OD2 2.92Å
473P73.5Confident77.5Confident27 Ų2756.2 Ų56.218%0.17530%0.296CS..  trans-67.4126.6174.627.6-32.6000110F419 F475 H477F419-P473 HydrophobicContact CD2-CB 3.96Å; F419-P473 HydrophobicContact CE2-CB 3.75Å; F419-P473 HydrophobicContact CE2-CG 3.9Å; F419-P473 HydrophobicContact CZ-CB 4.43Å; P473-F475 PolarHBondContact O-N 2.8Å; P473-H477 HydrophobicContact CG-CB 4.14Å
474A68.3Low77.2Confident89 Ų8962.4 Ų62.474%0.73632%0.319SS*.SBendtrans-68.8-24.9173.200000111.6E423 K472E423-A474 WeakPolarHBondContact OE1-CA 3.22Å; E423-A474 WeakPolarHBondContact OE1-CB 3.39Å; E423-A474 PolarHBondContact OE1-N 2.83Å; K472-A474 PolarHBondContact O-N 3.24Å
475F64.5Low76.9Confident35 Ų3563 Ų6315%0.15432%0.323CS..SBendtrans-109.7119.9176.7-115.8-91.5000111.6P244 L380 P473 F547 D574 K577P244-F475 HydrophobicContact CB-CD2 4.34Å; P244-F475 HydrophobicContact CB-CE2 4.05Å; P244-F475 HydrophobicContact CG-CE2 4.46Å; L380-F475 HydrophobicContact CD1-CB 4.24Å; L380-F475 HydrophobicContact CD1-CD1 4.42Å; P473-F475 PolarHBondContact O-N 2.8Å; F475-F547 HydrophobicContact CD1-CD2 4.43Å; F475-F547 AromaticContact CD1-CE2 3.92Å; F475-F547 HydrophobicContact CD1-CE2 3.92Å; F475-F547 HydrophobicContact CE1-CE2 4.23Å; F475-D574 HydrophobicContact CE1-CB 3.98Å; F475-D574 HydrophobicContact CZ-CB 4.34Å; F475-D574 WeakPolarHBondContact CZ-OD1 3.47Å; F475-K577 HydrophobicContact CE1-CD 3.96Å; F475-K577 HydrophobicContact CZ-CD 4.04Å
476G56.8Low76.8Confident10 Ų1058.5 Ų58.510%0.10331%0.306CS..SBendtrans97-1.2150.700000119.6F547 I548G476-F547 VanDerWaalsContact CA-CE2 3.44Å; G476-F547 WeakPolarHBondContact O-CA 3.3Å; G476-I548 PolarHBondContact O-N 3.19Å
477H60.4Low76.2Confident60 Ų6068.5 Ų68.528%0.27834%0.344SS..BIsolated β-bridgetrans-124.597.2165.1-67.5-65.9000110.2P473 S479 P546P473-H477 HydrophobicContact CG-CB 4.14Å; H477-S479 PolarHBondContact O-N 3.05Å; H477-P546 PolarHBondContact CE1-O 2.93Å; H477-P546 PolarHBondContact NE2-O 2.83Å
478S62.8Low75.7Confident12 Ų1269.4 Ų69.48%0.08436%0.364CS..  trans-67.646.8155-90.30000109.5D480 D481 I482 I548S478-D480 PolarHBondContact O-N 2.79Å; S478-D481 WeakPolarHBondContact CB-OD2 3.35Å; S478-D481 PolarHBondContact O-N 3.29Å; S478-D481 VanDerWaalsContact O-N 3.11Å; S478-D481 PolarHBondContact OG-OD2 3.2Å; S478-I482 VanDerWaalsContact O-CG1 3.29Å; S478-I482 WeakPolarHBondContact O-CG1 3.4Å; S478-I482 PolarHBondContact O-N 3.04Å; S478-I548 PolarHBondContact N-O 3.1Å
479S68.6Low75.7Confident41 Ų4164.8 Ų64.829%0.28735%0.354SS..Hα-helixtrans-57.7-43.7-178.851.10000109.9H477 D481 I482 E483H477-S479 PolarHBondContact O-N 3.05Å; S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 PolarHBondContact O-N 3.24Å; S479-I482 PolarHBondContact O-N 2.85Å; S479-E483 WeakPolarHBondContact O-CB 3.34Å; S479-E483 VanDerWaalsContact O-CG 3.29Å; S479-E483 WeakPolarHBondContact O-CG 3.19Å; S479-E483 PolarHBondContact O-N 3.15Å
480D73.8Confident76Confident82 Ų8263 Ų6344%0.43934%0.344SS..Hα-helixtrans-61.3-39.5177.5-63.30.3000111.3K472 S478 R484K472-D480 IonicContact NZ-OD1 3.41Å; K472-D480 PolarHBondContact NZ-OD1 2.94Å; K472-D480 IonicContact NZ-OD2 2.64Å; K472-D480 PolarHBondContact NZ-OD2 2.92Å; S478-D480 PolarHBondContact O-N 2.79Å; D480-R484 WeakPolarHBondContact O-CB 3.31Å; D480-R484 PolarHBondContact O-N 3.19Å
481D78.7Confident76.3Confident49 Ų4960.2 Ų60.226%0.26233%0.329SS..Hα-helixtrans-70.4-42.5176.8-54.2-40.3000111.2S478 S479 R484 L485 V550S478-D481 WeakPolarHBondContact CB-OD2 3.35Å; S478-D481 PolarHBondContact O-N 3.29Å; S478-D481 VanDerWaalsContact O-N 3.11Å; S478-D481 PolarHBondContact OG-OD2 3.2Å; S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 PolarHBondContact O-N 3.24Å; D481-R484 WeakPolarHBondContact O-CB 3.46Å; D481-R484 PolarHBondContact O-N 2.85Å; D481-L485 WeakPolarHBondContact O-CB 3.38Å; D481-L485 VanDerWaalsContact O-CG 3.25Å; D481-L485 WeakPolarHBondContact O-CG 3.36Å; D481-L485 PolarHBondContact O-N 3.36Å; D481-V550 HydrophobicContact CB-CB 4.3Å; D481-V550 HydrophobicContact CB-CG2 4.19Å
482I83.2Confident76.5Confident8 Ų862.2 Ų62.24%0.04134%0.338CS..Hα-helixtrans-64-43.9178-67.1166.9000110.2S478 S479 L485 L486 A537 K541 I548 V550S478-I482 VanDerWaalsContact O-CG1 3.29Å; S478-I482 WeakPolarHBondContact O-CG1 3.4Å; S478-I482 PolarHBondContact O-N 3.04Å; S479-I482 PolarHBondContact O-N 2.85Å; I482-L485 PolarHBondContact O-N 3.2Å; I482-L486 HydrophobicContact CG2-CD1 3.71Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CB 3.26Å; I482-L486 VanDerWaalsContact O-CG 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.22Å; I482-L486 PolarHBondContact O-N 3.2Å; I482-A537 HydrophobicContact CG2-CB 4.44Å; I482-K541 HydrophobicContact CG2-CB 4.08Å; I482-K541 HydrophobicContact CG2-CD 4.2Å; I482-K541 HydrophobicContact CG2-CG 4.49Å; I482-I548 HydrophobicContact CD1-CB 4.03Å; I482-I548 HydrophobicContact CD1-CD1 4.14Å; I482-I548 HydrophobicContact CD1-CG2 3.57Å; I482-I548 HydrophobicContact CG1-CG2 4.49Å; I482-V550 HydrophobicContact CG1-CG2 4.1Å
483E83.1Confident77Confident110 Ų11057.7 Ų57.751%0.51432%0.318SS..Hα-helixtrans-65-39.3175.7-74.4178.8-177.100111.7S479 L485 L486 R487S479-E483 WeakPolarHBondContact O-CB 3.34Å; S479-E483 VanDerWaalsContact O-CG 3.29Å; S479-E483 WeakPolarHBondContact O-CG 3.19Å; S479-E483 PolarHBondContact O-N 3.15Å; E483-L485 VanDerWaalsContact C-N 3.33Å; E483-L485 PolarHBondContact O-N 2.96Å; E483-L486 CarbonylContact O-C 3.54Å; E483-L486 PolarHBondContact O-N 3.31Å; E483-R487 PolarHBondContact O-N 3.42Å; E483-R487 VanDerWaalsContact O-N 3.11Å
484R85Confident77.6Confident130 Ų13057.3 Ų57.349%0.49132%0.319SS..Hα-helixtrans-60.7-41.9172-179.4178.9173.2-163.8-11.5111.9D480 D481 L486 R487 E554D480-R484 WeakPolarHBondContact O-CB 3.31Å; D480-R484 PolarHBondContact O-N 3.19Å; D481-R484 WeakPolarHBondContact O-CB 3.46Å; D481-R484 PolarHBondContact O-N 2.85Å; R484-L486 VanDerWaalsContact C-N 3.3Å; R484-R487 WeakPolarHBondContact O-CG 3.42Å; R484-E554 IonicContact CZ-OE2 3.04Å; R484-E554 VanDerWaalsContact CZ-OE2 3.32Å; R484-E554 IonicContact NH1-OE2 3.35Å; R484-E554 PolarHBondContact NH1-OE2 3.18Å; R484-E554 IonicContact NH2-OE1 2.77Å; R484-E554 IonicContact NH2-OE2 3.88Å; R484-E554 PolarHBondContact NH2-OE2 3.38Å
485L84.8Confident78.5Confident54 Ų5459 Ų5928%0.28332%0.316SS..Hα-helixtrans-70.4-25.9177-70.7177000112.9D481 I482 E483 T533 A537 V550 L584D481-L485 WeakPolarHBondContact O-CB 3.38Å; D481-L485 VanDerWaalsContact O-CG 3.25Å; D481-L485 WeakPolarHBondContact O-CG 3.36Å; D481-L485 PolarHBondContact O-N 3.36Å; I482-L485 PolarHBondContact O-N 3.2Å; E483-L485 VanDerWaalsContact C-N 3.33Å; E483-L485 PolarHBondContact O-N 2.96Å; L485-T533 HydrophobicContact CD1-CG2 3.95Å; L485-T533 HydrophobicContact CD2-CG2 3.59Å; L485-T533 HydrophobicContact CG-CG2 4.31Å; L485-A537 HydrophobicContact CB-CB 3.94Å; L485-A537 HydrophobicContact CD1-CB 4.08Å; L485-V550 HydrophobicContact CD1-CG1 4.05Å; L485-V550 HydrophobicContact CD1-CG2 4.44Å; L485-L584 HydrophobicContact CD1-CD2 4.12Å
486L86.8Confident79.6Confident25 Ų2558.9 Ų58.913%0.13132%0.321CS..THydrogen-bonded Turntrans-101.813.4-177.8-67.6175.7000114.5I482 E483 R484 G488 G489 I490 A534 A537 H538 K541I482-L486 HydrophobicContact CG2-CD1 3.71Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CB 3.26Å; I482-L486 VanDerWaalsContact O-CG 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.22Å; I482-L486 PolarHBondContact O-N 3.2Å; E483-L486 CarbonylContact O-C 3.54Å; E483-L486 PolarHBondContact O-N 3.31Å; R484-L486 VanDerWaalsContact C-N 3.3Å; L486-G488 PolarHBondContact O-N 3.18Å; L486-G489 PolarHBondContact O-N 3.35Å; L486-I490 HydrophobicContact CD2-CD1 4.17Å; L486-I490 HydrophobicContact CD2-CG1 4.33Å; L486-A534 VanDerWaalsContact CD2-O 3.31Å; L486-A534 WeakPolarHBondContact CD2-O 3.14Å; L486-A537 HydrophobicContact CD2-CB 4.19Å; L486-A537 HydrophobicContact CG-CB 4.09Å; L486-H538 HydrophobicContact CD2-CB 4Å; L486-K541 HydrophobicContact CD1-CB 4.38Å; L486-K541 HydrophobicContact CD1-CD 3.84Å
487R79.8Confident81.2Confident209 Ų20959 Ų5979%0.78932%0.32SS*.THydrogen-bonded Turntrans-50.8-35.5-177.6-80.3-177.4-178.4-175.82115E483 R484 G489E483-R487 PolarHBondContact O-N 3.42Å; E483-R487 VanDerWaalsContact O-N 3.11Å; R484-R487 WeakPolarHBondContact O-CG 3.42Å; R487-G489 VanDerWaalsContact C-N 3.34Å
488G74.9Confident82.6Confident62 Ų6260.3 Ų60.364%0.63933%0.326SS*.THydrogen-bonded Turntrans-87.92.5179.600000114.7L486L486-G488 PolarHBondContact O-N 3.18Å
489G85Confident84Confident45 Ų4565.3 Ų65.346%0.46435%0.348SS..  trans64.2-169-169.500000113.1L486 R487L486-G489 PolarHBondContact O-N 3.35Å; R487-G489 VanDerWaalsContact C-N 3.34Å
490I87.4Confident85.1Confident52 Ų5264.1 Ų64.127%0.26734%0.338SS..  trans-116.3114.2171.3-61.6-63.5000107.8L486 V497 I501 A534 H538L486-I490 HydrophobicContact CD2-CD1 4.17Å; L486-I490 HydrophobicContact CD2-CG1 4.33Å; I490-V497 HydrophobicContact CG2-CG1 4.49Å; I490-I501 HydrophobicContact CG2-CD1 4.36Å; I490-A534 HydrophobicContact CD1-CB 4.1Å; I490-H538 HydrophobicContact CD1-CB 4.02Å; I490-H538 HydrophobicContact CG1-CB 3.77Å
491I87.3Confident86Confident30 Ų3061 Ų6115%0.15432%0.321CS..  trans-87.7122.5175.2-64.5174.9000107.4W493 V662 Q665 L694I491-W493 HydrophobicContact CG2-CB 4.45Å; I491-W493 VanDerWaalsContact O-CD1 3.26Å; I491-W493 PolarHBondContact O-N 3.26Å; I491-V662 HydrophobicContact CD1-CG1 4.25Å; I491-V662 HydrophobicContact CG2-CB 4.42Å; I491-V662 HydrophobicContact CG2-CG1 4.4Å; I491-V662 HydrophobicContact CG2-CG2 4.04Å; I491-Q665 VanDerWaalsContact CG2-OE1 3.25Å; I491-L694 HydrophobicContact CD1-CD2 4.02Å
492I87.2Confident86.7Confident62 Ų6264.2 Ų64.232%0.31834%0.335SS..  trans-93.398.7176.8-55.7176.2000107.9H498 Q665I492-H498 VanDerWaalsContact CG2-CD2 3.41Å; I492-H498 WeakPolarHBondContact CG2-CD2 3.4Å; I492-H498 WeakPolarHBondContact CG2-NE2 3.32Å; I492-Q665 PolarHBondContact O-NE2 3.03Å
493W86.3Confident87.1Confident20 Ų2067.2 Ų67.28%0.07635%0.351CS..  trans-101.81.4-174.351.9-88.2000114.3I491 V497 S651 P652 L653 Q658 V662I491-W493 HydrophobicContact CG2-CB 4.45Å; I491-W493 VanDerWaalsContact O-CD1 3.26Å; I491-W493 PolarHBondContact O-N 3.26Å; W493-V497 HydrophobicContact CD2-CG2 4.16Å; W493-V497 HydrophobicContact CG-CG2 4.3Å; W493-V497 HydrophobicContact CZ2-CG2 4.16Å; W493-S651 WeakPolarHBondContact CH2-O 3.4Å; W493-P652 VanDerWaalsContact CH2-C 3.45Å; W493-P652 WeakPolarHBondContact CH2-O 3.11Å; W493-L653 HydrophobicContact CD2-CD1 4.47Å; W493-L653 HydrophobicContact CD2-CD2 3.79Å; W493-L653 HydrophobicContact CD2-CG 3.81Å; W493-L653 HydrophobicContact CE3-CB 4.48Å; W493-L653 HydrophobicContact CE3-CD2 3.75Å; W493-L653 HydrophobicContact CE3-CG 3.67Å; W493-L653 HydrophobicContact CG-CD2 4.2Å; W493-L653 HydrophobicContact CH2-CB 4.2Å; W493-L653 HydrophobicContact CH2-CD1 4.3Å; W493-L653 HydrophobicContact CH2-CG 3.66Å; W493-L653 HydrophobicContact CZ2-CD1 4.06Å; W493-L653 HydrophobicContact CZ2-CG 3.83Å; W493-L653 HydrophobicContact CZ3-CB 4.04Å; W493-L653 HydrophobicContact CZ3-CD2 4.16Å; W493-L653 HydrophobicContact CZ3-CG 3.58Å; W493-Q658 HydrophobicContact CE3-CB 3.57Å; W493-Q658 HydrophobicContact CE3-CG 3.75Å; W493-Q658 HydrophobicContact CZ3-CB 4.05Å; W493-Q658 HydrophobicContact CZ3-CG 4.04Å; W493-V662 HydrophobicContact CB-CG2 3.49Å; W493-V662 VanDerWaalsContact CB-CG2 3.49Å; W493-V662 HydrophobicContact CG-CG2 3.9Å
494G85.4Confident87.6Confident19 Ų1962 Ų6220%0.19633%0.327CS..SBendtrans171.1174.3174.300000113.2A496 V497G494-A496 PolarHBondContact O-N 2.82Å; G494-A496 VanDerWaalsContact O-N 3.14Å; G494-V497 PolarHBondContact O-N 3.44Å
495D87.2Confident87.9Confident124 Ų12457.6 Ų57.666%0.66331%0.314SS*.Hα-helixtrans-59.3-28.4-175.2-61.3-24.6000113.5V497 H498 Q499D495-V497 VanDerWaalsContact C-N 3.28Å; D495-V497 PolarHBondContact O-N 3.48Å; D495-H498 WeakPolarHBondContact O-CB 3.27Å; D495-H498 PolarHBondContact O-N 3.4Å; D495-Q499 WeakPolarHBondContact O-CB 3.5Å; D495-Q499 WeakPolarHBondContact O-CG 3.44Å; D495-Q499 PolarHBondContact O-N 2.91Å
496A87.9Confident88.3Confident32 Ų3259.9 Ų59.926%0.26433%0.325SS..Hα-helixtrans-59.2-38.8176.700000112.3G494 L500G494-A496 PolarHBondContact O-N 2.82Å; G494-A496 VanDerWaalsContact O-N 3.14Å; A496-L500 WeakPolarHBondContact O-CB 3.47Å; A496-L500 WeakPolarHBondContact O-CD1 3.3Å; A496-L500 VanDerWaalsContact O-CG 3.24Å; A496-L500 WeakPolarHBondContact O-CG 3.44Å; A496-L500 PolarHBondContact O-N 3.38Å; A496-L500 VanDerWaalsContact O-N 3.11Å
497V89.5Confident88.6Confident14 Ų1459.5 Ų59.59%0.08532%0.323CS..Hα-helixtrans-72.6-40.6177.2-178.30000110.5I490 W493 G494 D495 L500 I501I490-V497 HydrophobicContact CG2-CG1 4.49Å; W493-V497 HydrophobicContact CD2-CG2 4.16Å; W493-V497 HydrophobicContact CG-CG2 4.3Å; W493-V497 HydrophobicContact CZ2-CG2 4.16Å; G494-V497 PolarHBondContact O-N 3.44Å; D495-V497 VanDerWaalsContact C-N 3.28Å; D495-V497 PolarHBondContact O-N 3.48Å; V497-L500 PolarHBondContact O-N 3.33Å; V497-I501 HydrophobicContact CG1-CD1 4.02Å; V497-I501 WeakPolarHBondContact O-CG1 3.43Å; V497-I501 PolarHBondContact O-N 3.04Å
498H90.8Very high89.2Confident87 Ų8749.9 Ų49.940%0.40329%0.288SS..Hα-helixtrans-58.1-50.9174.6-91.1-63.6000111.8I492 D495 L500 I501 E502I492-H498 VanDerWaalsContact CG2-CD2 3.41Å; I492-H498 WeakPolarHBondContact CG2-CD2 3.4Å; I492-H498 WeakPolarHBondContact CG2-NE2 3.32Å; D495-H498 WeakPolarHBondContact O-CB 3.27Å; D495-H498 PolarHBondContact O-N 3.4Å; H498-L500 VanDerWaalsContact C-N 3.27Å; H498-L500 PolarHBondContact O-N 3.36Å; H498-I501 PolarHBondContact O-N 3.26Å; H498-I501 VanDerWaalsContact O-N 3.15Å; H498-E502 WeakPolarHBondContact O-CG 3.43Å; H498-E502 PolarHBondContact O-N 2.83Å
499Q91.7Very high89.9Confident116 Ų11652.5 Ų52.554%0.54228%0.283SS..Hα-helixtrans-60.3-36.6177.6-71.9177.8-300112.3D495 N503D495-Q499 WeakPolarHBondContact O-CB 3.5Å; D495-Q499 WeakPolarHBondContact O-CG 3.44Å; D495-Q499 PolarHBondContact O-N 2.91Å; Q499-N503 VanDerWaalsContact O-CB 3.25Å; Q499-N503 WeakPolarHBondContact O-CB 3.28Å; Q499-N503 PolarHBondContact O-N 3.36Å; Q499-N503 PolarHBondContact O-ND2 3Å; Q499-N503 VanDerWaalsContact O-ND2 3.13Å
500L91.4Very high90.2Very high17 Ų1754.9 Ų54.99%0.08928%0.282CS..Hα-helixtrans-66.9-40.8176-78.5167.9000112.6A496 V497 H498 G504 L535 L648 C650A496-L500 WeakPolarHBondContact O-CB 3.47Å; A496-L500 WeakPolarHBondContact O-CD1 3.3Å; A496-L500 VanDerWaalsContact O-CG 3.24Å; A496-L500 WeakPolarHBondContact O-CG 3.44Å; A496-L500 PolarHBondContact O-N 3.38Å; A496-L500 VanDerWaalsContact O-N 3.11Å; V497-L500 PolarHBondContact O-N 3.33Å; H498-L500 VanDerWaalsContact C-N 3.27Å; H498-L500 PolarHBondContact O-N 3.36Å; L500-G504 PolarHBondContact O-N 2.82Å; L500-L535 HydrophobicContact CB-CD2 4.04Å; L500-L535 HydrophobicContact CD1-CD2 4.1Å; L500-L648 HydrophobicContact CD2-CB 3.99Å; L500-C650 HydrophobicContact CD1-CB 4.5Å
501I92Very high90.3Very high16 Ų1652.5 Ų52.58%0.08227%0.271CS..Hα-helixtrans-66.7-44.7175.7-66169.1000110I490 V497 H498 G504 D505 L535I490-I501 HydrophobicContact CG2-CD1 4.36Å; V497-I501 HydrophobicContact CG1-CD1 4.02Å; V497-I501 WeakPolarHBondContact O-CG1 3.43Å; V497-I501 PolarHBondContact O-N 3.04Å; H498-I501 PolarHBondContact O-N 3.26Å; H498-I501 VanDerWaalsContact O-N 3.15Å; I501-G504 CarbonylContact O-C 3.24Å; I501-G504 WeakPolarHBondContact O-CA 3.26Å; I501-G504 PolarHBondContact O-N 3.04Å; I501-D505 PolarHBondContact O-N 3Å; I501-L535 HydrophobicContact CG1-CD1 3.83Å
502E93.3Very high90.4Very high116 Ų11655.3 Ų55.354%0.54228%0.282SS..Hα-helixtrans-61-45.9176.6-73.5179.517300112.1H498 G504 D505 L506H498-E502 WeakPolarHBondContact O-CG 3.43Å; H498-E502 PolarHBondContact O-N 2.83Å; E502-G504 VanDerWaalsContact C-N 3.29Å; E502-G504 PolarHBondContact O-N 3.11Å; E502-D505 PolarHBondContact O-N 3.14Å; E502-L506 WeakPolarHBondContact O-CG 3.07Å; E502-L506 PolarHBondContact O-N 2.98Å
503N93.7Very high90.3Very high71 Ų7154.8 Ų54.838%0.3828%0.284SS..Hα-helixtrans-62.5-38.3174.3-73.3-27.8000111.7Q499 L506 L507 L648Q499-N503 VanDerWaalsContact O-CB 3.25Å; Q499-N503 WeakPolarHBondContact O-CB 3.28Å; Q499-N503 PolarHBondContact O-N 3.36Å; Q499-N503 PolarHBondContact O-ND2 3Å; Q499-N503 VanDerWaalsContact O-ND2 3.13Å; N503-L506 PolarHBondContact O-N 3.07Å; N503-L507 WeakPolarHBondContact O-CD1 3.29Å; N503-L507 VanDerWaalsContact O-CG 3.32Å; N503-L507 WeakPolarHBondContact O-CG 3.38Å; N503-L507 PolarHBondContact O-N 3.1Å; N503-L507 VanDerWaalsContact O-N 3.11Å; N503-L648 HydrophobicContact CB-CD2 3.91Å
504G92Very high90Very high2 Ų258.3 Ų58.32%0.02131%0.309CS..Hα-helixtrans-59.2-46.3172.200000112.3L500 I501 E502 L506 L507 V508L500-G504 PolarHBondContact O-N 2.82Å; I501-G504 CarbonylContact O-C 3.24Å; I501-G504 WeakPolarHBondContact O-CA 3.26Å; I501-G504 PolarHBondContact O-N 3.04Å; E502-G504 VanDerWaalsContact C-N 3.29Å; E502-G504 PolarHBondContact O-N 3.11Å; G504-L506 PolarHBondContact O-N 2.89Å; G504-L507 PolarHBondContact O-N 2.9Å; G504-V508 WeakPolarHBondContact O-CG2 3.39Å; G504-V508 PolarHBondContact O-N 2.99Å
505D92.3Very high89.6Confident37 Ų3764.9 Ų64.920%0.19834%0.34CS..Hα-helixtrans-62.9-40.4177.7-70.9-26.6000111.9I501 E502 L507 V508 Q509 K542I501-D505 PolarHBondContact O-N 3Å; E502-D505 PolarHBondContact O-N 3.14Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.32Å; D505-V508 WeakPolarHBondContact O-CB 3.42Å; D505-V508 PolarHBondContact O-N 3.36Å; D505-Q509 WeakPolarHBondContact O-CG 3.49Å; D505-Q509 PolarHBondContact O-N 3.13Å; D505-K542 WeakPolarHBondContact OD1-CD 3.45Å; D505-K542 IonicContact OD1-NZ 2.69Å; D505-K542 PolarHBondContact OD1-NZ 3.02Å; D505-K542 IonicContact OD2-NZ 3.6Å; D505-K542 PolarHBondContact OD2-NZ 2.97Å
506L92.9Very high89Confident102 Ų10260.4 Ų60.453%0.53432%0.318SS..Hα-helixtrans-61.5-41.2175.1-70.5174.1000112E502 N503 G504 Q509 Q510E502-L506 WeakPolarHBondContact O-CG 3.07Å; E502-L506 PolarHBondContact O-N 2.98Å; N503-L506 PolarHBondContact O-N 3.07Å; G504-L506 PolarHBondContact O-N 2.89Å; L506-Q509 PolarHBondContact O-N 3.34Å; L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 PolarHBondContact O-N 3.28Å
507L92.2Very high88.3Confident17 Ų1769.5 Ų69.59%0.08935%0.346CS..Hα-helixtrans-68-37.4176.6-69.3161.2000111.8N503 G504 D505 Q510 A511 V520 V522 L648N503-L507 WeakPolarHBondContact O-CD1 3.29Å; N503-L507 VanDerWaalsContact O-CG 3.32Å; N503-L507 WeakPolarHBondContact O-CG 3.38Å; N503-L507 PolarHBondContact O-N 3.1Å; N503-L507 VanDerWaalsContact O-N 3.11Å; G504-L507 PolarHBondContact O-N 2.9Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.32Å; L507-Q510 WeakPolarHBondContact O-CB 3.43Å; L507-Q510 PolarHBondContact O-N 3.18Å; L507-A511 PolarHBondContact O-N 3.06Å; L507-V520 HydrophobicContact CD2-CG1 4.12Å; L507-V522 HydrophobicContact CB-CG2 4.29Å; L507-V522 HydrophobicContact CD1-CB 4.48Å; L507-V522 HydrophobicContact CD1-CG1 3.87Å; L507-V522 HydrophobicContact CD1-CG2 3.72Å; L507-V522 HydrophobicContact CD2-CG2 4.13Å; L507-V522 HydrophobicContact CG-CG2 4.27Å; L507-L648 HydrophobicContact CD1-CD1 3.83Å; L507-L648 HydrophobicContact CD1-CD2 4.38Å; L507-L648 HydrophobicContact CD1-CG 4.26Å
508V92.4Very high87.8Confident6 Ų669.3 Ų69.34%0.03635%0.346CS..Hα-helixtrans-63-44.7172.6169.90000110.6G504 D505 A511 K512 I539 F545 L624G504-V508 WeakPolarHBondContact O-CG2 3.39Å; G504-V508 PolarHBondContact O-N 2.99Å; D505-V508 WeakPolarHBondContact O-CB 3.42Å; D505-V508 PolarHBondContact O-N 3.36Å; V508-A511 PolarHBondContact O-N 3.27Å; V508-K512 WeakPolarHBondContact O-CG 3.37Å; V508-K512 PolarHBondContact O-N 3.42Å; V508-I539 HydrophobicContact CG2-CG2 3.71Å; V508-F545 HydrophobicContact CG1-CE1 3.73Å; V508-F545 HydrophobicContact CG1-CZ 4.41Å; V508-L624 HydrophobicContact CG2-CD2 3.78Å
509Q91Very high87.8Confident117 Ų11766.3 Ų66.355%0.54733%0.333SS..Hα-helixtrans-62.5-42.9175.2-72.7177.58.600111.5D505 L506 A511 K512 S513D505-Q509 WeakPolarHBondContact O-CG 3.49Å; D505-Q509 PolarHBondContact O-N 3.13Å; L506-Q509 PolarHBondContact O-N 3.34Å; Q509-A511 VanDerWaalsContact C-N 3.27Å; Q509-A511 PolarHBondContact O-N 3.16Å; Q509-K512 CarbonylContact O-C 3.59Å; Q509-K512 WeakPolarHBondContact O-CA 3.1Å; Q509-K512 PolarHBondContact O-N 3.27Å; Q509-S513 PolarHBondContact O-N 3.13Å; Q509-S513 PolarHBondContact O-OG 2.73Å; Q509-S513 VanDerWaalsContact O-OG 3.08Å
510Q90.6Very high87.9Confident95 Ų9561.2 Ų61.244%0.44431%0.31SS..Hα-helixtrans-57.9-40.1174.5-173.7-177.17.400112L506 L507 S513 C516 V520L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 PolarHBondContact O-N 3.28Å; L507-Q510 WeakPolarHBondContact O-CB 3.43Å; L507-Q510 PolarHBondContact O-N 3.18Å; Q510-S513 PolarHBondContact O-N 2.7Å; Q510-C516 WeakPolarHBondContact O-CB 3.37Å; Q510-V520 HydrophobicContact CG-CG2 4.12Å
511A89.4Confident88Confident3 Ų361 Ų613%0.02531%0.31CS..Hα-helixtrans-70.9-30.2175.100000112.8L507 V508 Q509 V520 F545 R622 L624L507-A511 PolarHBondContact O-N 3.06Å; V508-A511 PolarHBondContact O-N 3.27Å; Q509-A511 VanDerWaalsContact C-N 3.27Å; Q509-A511 PolarHBondContact O-N 3.16Å; A511-V520 HydrophobicContact CB-CB 4.31Å; A511-V520 HydrophobicContact CB-CG2 3.99Å; A511-F545 HydrophobicContact CB-CE2 4.42Å; A511-F545 HydrophobicContact CB-CZ 3.97Å; A511-R622 WeakPolarHBondContact O-CD 3.43Å; A511-L624 HydrophobicContact CB-CB 4.01Å
512K88.6Confident88.1Confident88 Ų8860.5 Ų60.538%0.38331%0.308SS..Hα-helixtrans-79-14.9173.3-71.3-173.7-175.5-174.30113.8V508 Q509 S543 F545 R622V508-K512 WeakPolarHBondContact O-CG 3.37Å; V508-K512 PolarHBondContact O-N 3.42Å; Q509-K512 CarbonylContact O-C 3.59Å; Q509-K512 WeakPolarHBondContact O-CA 3.1Å; Q509-K512 PolarHBondContact O-N 3.27Å; K512-S543 WeakPolarHBondContact CE-O 3.43Å; K512-S543 PolarHBondContact NZ-O 3.03Å; K512-F545 HydrophobicContact CD-CE1 4.01Å; K512-F545 HydrophobicContact CG-CE1 3.5Å; K512-F545 VanDerWaalsContact CG-CE1 3.5Å; K512-F545 HydrophobicContact CG-CZ 3.81Å; K512-R622 VanDerWaalsContact C-NH1 3.27Å; K512-R622 PolarHBondContact O-NH1 3.05Å
513S86.5Confident88.3Confident51 Ų5155 Ų5536%0.35728%0.282SS..  trans-75.5136.4-178.8-70.10000112.3Q509 Q510 D515 C516Q509-S513 PolarHBondContact O-N 3.13Å; Q509-S513 PolarHBondContact O-OG 2.73Å; Q509-S513 VanDerWaalsContact O-OG 3.08Å; Q510-S513 PolarHBondContact O-N 2.7Å; S513-D515 VanDerWaalsContact C-N 3.25Å; S513-D515 PolarHBondContact O-N 3.43Å; S513-C516 PolarHBondContact O-N 2.93Å
514P78.8Confident88.3Confident94 Ų9451.7 Ų51.761%0.6126%0.264SS*.THydrogen-bonded Turntrans-66.6-24.1177.627.2-33.3000114.6C516P514-C516 VanDerWaalsContact C-N 3.28Å; P514-C516 PolarHBondContact O-N 3.47Å
515D76.7Confident88.5Confident157 Ų15751.8 Ų51.884%0.8426%0.264SS*.THydrogen-bonded Turntrans-81.1-9.3-177-55.1-37.7000113.4S513S513-D515 VanDerWaalsContact C-N 3.25Å; S513-D515 PolarHBondContact O-N 3.43Å
516C74.8Confident88.5Confident31 Ų3150.4 Ų50.421%0.20926%0.259CS..SBendtrans-77.2152.6-179.5-169.60000111.2Q510 S513 P514 G518Q510-C516 WeakPolarHBondContact O-CB 3.37Å; S513-C516 PolarHBondContact O-N 2.93Å; P514-C516 VanDerWaalsContact C-N 3.28Å; P514-C516 PolarHBondContact O-N 3.47Å; C516-G518 PolarHBondContact O-N 2.66Å
517R73Confident88.4Confident223 Ų22347.1 Ų47.184%0.84224%0.244SC*.  trans-63.71.9-179.5-66.7-178.2178.8-180-0114.7L519 Q616R517-L519 VanDerWaalsContact C-N 3.34Å; R517-Q616 PolarHBondContact O-OE1 3.25Å
518G80.1Confident88.2Confident10 Ų1049.8 Ų49.810%0.10326%0.262CS..SBendtrans91.6-18178.100000114.2C516 P617 R622 L623C516-G518 PolarHBondContact O-N 2.66Å; G518-P617 WeakPolarHBondContact O-CG 3.32Å; G518-R622 CarbonylContact O-C 3.54Å; G518-R622 WeakPolarHBondContact O-CA 3.32Å; G518-L623 PolarHBondContact O-N 3.06Å
519L90.9Very high88.1Confident23 Ų2352.9 Ų52.912%0.1228%0.278CS..EExtended strand (participates in β ladder)trans-122.7126.5179.3-178.663.2000111.1R517 I613 L623 V625R517-L519 VanDerWaalsContact C-N 3.34Å; L519-I613 WeakPolarHBondContact CD2-O 3.12Å; L519-L623 WeakPolarHBondContact CA-O 3.44Å; L519-L623 HydrophobicContact CD1-CB 4.13Å; L519-L623 HydrophobicContact CD1-CD2 3.99Å; L519-L623 HydrophobicContact CD1-CG 4.08Å; L519-V625 HydrophobicContact CD1-CG2 4.16Å
520V93Very high88Confident10 Ų1047.9 Ų47.96%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-123.4126.6169.2-179.50000107.6L507 Q510 A511 V522 L623 L624 V625L507-V520 HydrophobicContact CD2-CG1 4.12Å; Q510-V520 HydrophobicContact CG-CG2 4.12Å; A511-V520 HydrophobicContact CB-CB 4.31Å; A511-V520 HydrophobicContact CB-CG2 3.99Å; V520-V522 HydrophobicContact CG1-CG2 4.11Å; V520-L623 PolarHBondContact N-O 2.82Å; V520-L624 HydrophobicContact CB-CD1 3.8Å; V520-L624 HydrophobicContact CG1-CD1 3.67Å; V520-L624 CarbonylContact O-C 3.47Å; V520-L624 WeakPolarHBondContact O-CA 3.32Å; V520-V625 PolarHBondContact O-N 3.5Å
521S94.1Very high88Confident13 Ų1344.5 Ų44.59%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-121.612718055.70000110.2V625 A643 F644 G645 S646S521-V625 CarbonylContact C-O 3.59Å; S521-V625 WeakPolarHBondContact CA-O 3.45Å; S521-A643 PolarHBondContact OG-O 3.18Å; S521-F644 WeakPolarHBondContact OG-CA 3.27Å; S521-G645 PolarHBondContact O-N 3.07Å; S521-G645 PolarHBondContact OG-N 3.07Å; S521-S646 PolarHBondContact O-N 3.44Å; S521-S646 VanDerWaalsContact O-N 3.09Å
522V94.8Very high88.1Confident5 Ų544.7 Ų44.73%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-127.9130.7-172.9-1730000109.5L507 V520 L624 V625 I626 A627 S646 L648L507-V522 HydrophobicContact CB-CG2 4.29Å; L507-V522 HydrophobicContact CD1-CB 4.48Å; L507-V522 HydrophobicContact CD1-CG1 3.87Å; L507-V522 HydrophobicContact CD1-CG2 3.72Å; L507-V522 HydrophobicContact CD2-CG2 4.13Å; L507-V522 HydrophobicContact CG-CG2 4.27Å; V520-V522 HydrophobicContact CG1-CG2 4.11Å; V522-L624 HydrophobicContact CG2-CD1 3.87Å; V522-V625 PolarHBondContact N-O 3.3Å; V522-I626 CarbonylContact O-C 3.54Å; V522-I626 WeakPolarHBondContact O-CA 3.36Å; V522-A627 PolarHBondContact O-N 3.32Å; V522-S646 CarbonylContact C-O 3.49Å; V522-S646 WeakPolarHBondContact CA-O 3.45Å; V522-L648 HydrophobicContact CG1-CD1 3.83Å; V522-L648 HydrophobicContact CG1-CG 3.96Å
523L95.8Very high88.3Confident0 Ų041.8 Ų41.80%024%0.237CC..EExtended strand (participates in β ladder)trans-109.2118.1172.8-177.165.4000110L588 A627 T629 L641 F644 S646 V647 L648L523-L588 HydrophobicContact CD1-CD1 3.76Å; L523-A627 CarbonylContact C-O 3.29Å; L523-A627 WeakPolarHBondContact CA-O 3.3Å; L523-A627 HydrophobicContact CD1-CB 3.96Å; L523-T629 HydrophobicContact CD1-CG2 3.8Å; L523-T629 HydrophobicContact CD2-CG2 4.16Å; L523-T629 HydrophobicContact CG-CG2 4.09Å; L523-L641 HydrophobicContact CD2-CG 4.42Å; L523-F644 HydrophobicContact CB-CB 4.07Å; L523-F644 HydrophobicContact CB-CD1 4.03Å; L523-F644 HydrophobicContact CB-CD2 3.95Å; L523-F644 HydrophobicContact CB-CE1 4.48Å; L523-F644 HydrophobicContact CB-CE2 4.38Å; L523-F644 HydrophobicContact CB-CG 3.75Å; L523-F644 HydrophobicContact CD1-CD2 4.44Å; L523-F644 HydrophobicContact CD1-CE2 4.08Å; L523-F644 HydrophobicContact CD1-CZ 4.22Å; L523-F644 HydrophobicContact CD2-CD2 4.15Å; L523-F644 HydrophobicContact CD2-CE2 4.43Å; L523-F644 HydrophobicContact CG-CD2 4.42Å; L523-S646 PolarHBondContact N-O 2.86Å; L523-V647 HydrophobicContact CB-CG2 4.35Å; L523-V647 CarbonylContact O-C 3.56Å; L523-V647 WeakPolarHBondContact O-CA 3.38Å; L523-L648 PolarHBondContact O-N 2.85Å
524L95.3Very high88.6Confident1 Ų140.5 Ų40.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-89.6108.6169.8-74.4162.3000109.1K532 L535 A536 I626 A627 T628 T629 L648L524-K532 HydrophobicContact CB-CB 4.49Å; L524-L535 HydrophobicContact CD2-CD2 4.05Å; L524-A536 HydrophobicContact CD1-CB 3.44Å; L524-A536 VanDerWaalsContact CD1-CB 3.44Å; L524-I626 HydrophobicContact CD1-CG2 3.64Å; L524-I626 HydrophobicContact CG-CG2 4.36Å; L524-A627 PolarHBondContact N-O 2.83Å; L524-T628 HydrophobicContact CB-CG2 4.25Å; L524-T628 HydrophobicContact CD1-CG2 4.42Å; L524-T628 WeakPolarHBondContact O-CA 3.32Å; L524-T629 PolarHBondContact O-N 3.43Å; L524-L648 WeakPolarHBondContact CA-O 2.94Å; L524-L648 HydrophobicContact CD2-CB 3.57Å; L524-L648 HydrophobicContact CD2-CD1 3.97Å; L524-L648 HydrophobicContact CD2-CG 4.41Å; L524-L648 HydrophobicContact CG-CB 4.45Å
525E94.7Very high89.3Confident4 Ų436.6 Ų36.62%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-110161178.763.3160-132.700111.7T629 R632 V647 L648 H649 C650E525-T629 WeakPolarHBondContact CA-O 3.48Å; E525-T629 HydrophobicContact CB-CG2 3.93Å; E525-R632 VanDerWaalsContact CD-NH1 3.33Å; E525-R632 WeakPolarHBondContact OE1-CD 3.45Å; E525-R632 IonicContact OE1-CZ 3.32Å; E525-R632 IonicContact OE1-NE 3.65Å; E525-R632 IonicContact OE1-NH1 3.85Å; E525-R632 PolarHBondContact OE1-NH1 3.1Å; E525-R632 WeakPolarHBondContact OE2-CB 3.43Å; E525-R632 WeakPolarHBondContact OE2-CD 3.49Å; E525-R632 WeakPolarHBondContact OE2-CG 3.44Å; E525-R632 IonicContact OE2-CZ 2.79Å; E525-R632 IonicContact OE2-NE 3.64Å; E525-R632 PolarHBondContact OE2-NE 3.2Å; E525-R632 IonicContact OE2-NH1 2.7Å; E525-R632 PolarHBondContact OE2-NH1 2.89Å; E525-V647 HydrophobicContact CG-CG1 3.66Å; E525-L648 PolarHBondContact N-O 3.41Å; E525-H649 HydrophobicContact CG-CB 4.4Å; E525-H649 IonicContact OE1-CG 2.73Å; E525-H649 IonicContact OE1-ND1 3.41Å; E525-H649 PolarHBondContact OE1-ND1 3.14Å; E525-C650 WeakPolarHBondContact O-CB 3.21Å; E525-C650 PolarHBondContact O-N 2.95Å
526G92Very high90.1Very high9 Ų929.1 Ų29.19%0.09316%0.163CC..  trans155.5170.7176.500000111.4K532 T629 S630G526-K532 PolarHBondContact O-NZ 2.84Å; G526-T629 PolarHBondContact N-O 2.86Å; G526-S630 VanDerWaalsContact O-CA 3.27Å; G526-S630 WeakPolarHBondContact O-CA 3.24Å
527P91.3Very high90.9Very high33 Ų3327.6 Ų27.621%0.21415%0.153CC..SBendtrans-60.1159-178.824.8-32.5000112.1S530 K532 C650 P652P527-S530 WeakPolarHBondContact O-CB 3.24Å; P527-S530 PolarHBondContact O-N 3.31Å; P527-S530 PolarHBondContact O-OG 3.26Å; P527-K532 PolarHBondContact O-NZ 3.39Å; P527-C650 WeakPolarHBondContact CD-O 3.38Å; P527-P652 HydrophobicContact CG-CB 3.82Å; P527-P652 HydrophobicContact CG-CG 3.86Å
528P89.3Confident91.8Very high72 Ų7219.6 Ų19.647%0.46813%0.125SC..THydrogen-bonded Turntrans-51.1148.4172.3-2433.2000111.4S530P528-S530 PolarHBondContact O-N 3.43Å
529N89.8Confident92.4Very high72 Ų7219.5 Ų19.539%0.38512%0.122SC..THydrogen-bonded Turntrans65.610.9176-53.9-31.4000116.3G531 G689 I690 K691 K692N529-G531 VanDerWaalsContact C-N 3.26Å; N529-G531 PolarHBondContact O-N 3.25Å; N529-G689 CarbonylContact O-C 3.47Å; N529-G689 VanDerWaalsContact O-C 3.24Å; N529-G689 WeakPolarHBondContact O-CA 3.45Å; N529-I690 PolarHBondContact O-N 3.37Å; N529-I690 VanDerWaalsContact O-N 3.13Å; N529-K691 HydrophobicContact CB-CB 4.03Å; N529-K691 WeakPolarHBondContact O-CB 3Å; N529-K691 PolarHBondContact O-N 3.42Å; N529-K692 HydrophobicContact CB-CB 4.13Å
530S89.5Confident92.4Very high12 Ų1218.4 Ų18.48%0.08412%0.116CC..SBendtrans-77.90.5176.564.60000115.5P527 P528 K532 I690P527-S530 WeakPolarHBondContact O-CB 3.24Å; P527-S530 PolarHBondContact O-N 3.31Å; P527-S530 PolarHBondContact O-OG 3.26Å; P528-S530 PolarHBondContact O-N 3.43Å; S530-K532 WeakPolarHBondContact OG-CG 3.29Å; S530-I690 WeakPolarHBondContact O-CG2 3.38Å
531G89.6Confident92.1Very high24 Ų2423 Ų2325%0.24714%0.136CC..  trans85.515176.300000115.6N529 T533 A534 L535N529-G531 VanDerWaalsContact C-N 3.26Å; N529-G531 PolarHBondContact O-N 3.25Å; G531-T533 VanDerWaalsContact C-N 3.34Å; G531-T533 PolarHBondContact O-N 3.45Å; G531-A534 PolarHBondContact O-N 3.48Å; G531-A534 VanDerWaalsContact O-N 3.12Å; G531-L535 PolarHBondContact O-N 3.29Å
532K92.5Very high91.9Very high7 Ų727.1 Ų27.13%0.0315%0.152CC..Hα-helixtrans-49.5-48.8-179.6-55.7178.5-71.4-93.60113.7L524 G526 P527 S530 L535 A536 T628 T629 S630 C650L524-K532 HydrophobicContact CB-CB 4.49Å; G526-K532 PolarHBondContact O-NZ 2.84Å; P527-K532 PolarHBondContact O-NZ 3.39Å; S530-K532 WeakPolarHBondContact OG-CG 3.29Å; K532-L535 PolarHBondContact O-N 3.37Å; K532-A536 WeakPolarHBondContact O-CB 3.39Å; K532-A536 PolarHBondContact O-N 2.69Å; K532-T628 HydrophobicContact CB-CG2 4.26Å; K532-T629 WeakPolarHBondContact CD-O 3.42Å; K532-T629 WeakPolarHBondContact CE-O 3.46Å; K532-S630 WeakPolarHBondContact CE-OG 3.29Å; K532-S630 PolarHBondContact NZ-OG 2.74Å; K532-C650 HydrophobicContact CG-CB 3.88Å
533T92.2Very high91.5Very high26 Ų2627 Ų2716%0.1615%0.151CC..Hα-helixtrans-63.7-41.9-179.5-46.40000112.1L485 G531 A536 A537 D586L485-T533 HydrophobicContact CD1-CG2 3.95Å; L485-T533 HydrophobicContact CD2-CG2 3.59Å; L485-T533 HydrophobicContact CG-CG2 4.31Å; G531-T533 VanDerWaalsContact C-N 3.34Å; G531-T533 PolarHBondContact O-N 3.45Å; T533-A536 PolarHBondContact O-N 3.44Å; T533-A537 WeakPolarHBondContact O-CB 3.36Å; T533-A537 PolarHBondContact O-N 3.24Å; T533-D586 WeakPolarHBondContact CB-OD1 3.5Å; T533-D586 HydrophobicContact CG2-CB 4.27Å; T533-D586 WeakPolarHBondContact CG2-OD1 3.46Å; T533-D586 PolarHBondContact OG1-OD1 3.1Å
534A92.6Very high90.9Very high24 Ų2432.2 Ų32.220%0.19818%0.179CC..Hα-helixtrans-66.4-42.4176.600000111.1L486 I490 G531 A536 A537 H538L486-A534 VanDerWaalsContact CD2-O 3.31Å; L486-A534 WeakPolarHBondContact CD2-O 3.14Å; I490-A534 HydrophobicContact CD1-CB 4.1Å; G531-A534 PolarHBondContact O-N 3.48Å; G531-A534 VanDerWaalsContact O-N 3.12Å; A534-A536 PolarHBondContact O-N 3.24Å; A534-A537 PolarHBondContact O-N 3.13Å; A534-H538 WeakPolarHBondContact O-CB 3.36Å; A534-H538 PolarHBondContact O-N 3.35Å
535L92.7Very high90.4Very high12 Ų1232.3 Ų32.36%0.06318%0.179CC..Hα-helixtrans-61.8-43.8175.1-179.365.4000111.8L500 I501 L524 G531 K532 A537 H538 I539L500-L535 HydrophobicContact CB-CD2 4.04Å; L500-L535 HydrophobicContact CD1-CD2 4.1Å; I501-L535 HydrophobicContact CG1-CD1 3.83Å; L524-L535 HydrophobicContact CD2-CD2 4.05Å; G531-L535 PolarHBondContact O-N 3.29Å; K532-L535 PolarHBondContact O-N 3.37Å; L535-A537 PolarHBondContact O-N 3.03Å; L535-H538 WeakPolarHBondContact O-CB 3.24Å; L535-H538 PolarHBondContact O-N 2.99Å; L535-I539 HydrophobicContact CD1-CD1 4.41Å; L535-I539 HydrophobicContact CG-CD1 4.12Å; L535-I539 WeakPolarHBondContact O-CG1 3.33Å; L535-I539 PolarHBondContact O-N 3.45Å
536A93.3Very high89.6Confident0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-60.6-44.7176.700000112L524 K532 T533 A534 H538 I539 A540 L584 I626 T628L524-A536 HydrophobicContact CD1-CB 3.44Å; L524-A536 VanDerWaalsContact CD1-CB 3.44Å; K532-A536 WeakPolarHBondContact O-CB 3.39Å; K532-A536 PolarHBondContact O-N 2.69Å; T533-A536 PolarHBondContact O-N 3.44Å; A534-A536 PolarHBondContact O-N 3.24Å; A536-H538 VanDerWaalsContact C-N 3.32Å; A536-H538 PolarHBondContact O-N 3.29Å; A536-I539 PolarHBondContact O-N 3.29Å; A536-A540 WeakPolarHBondContact O-CB 3.49Å; A536-A540 PolarHBondContact O-N 2.94Å; A536-L584 HydrophobicContact CB-CD1 3.38Å; A536-L584 HydrophobicContact CB-CD2 4.27Å; A536-L584 HydrophobicContact CB-CG 4.49Å; A536-I626 HydrophobicContact CB-CG2 3.82Å; A536-T628 HydrophobicContact CB-CG2 3.92Å
537A92.2Very high89.3Confident0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-64.2-36.1174.900000112.1I482 L485 L486 T533 A534 L535 A540 K541 L584I482-A537 HydrophobicContact CG2-CB 4.44Å; L485-A537 HydrophobicContact CB-CB 3.94Å; L485-A537 HydrophobicContact CD1-CB 4.08Å; L486-A537 HydrophobicContact CD2-CB 4.19Å; L486-A537 HydrophobicContact CG-CB 4.09Å; T533-A537 WeakPolarHBondContact O-CB 3.36Å; T533-A537 PolarHBondContact O-N 3.24Å; A534-A537 PolarHBondContact O-N 3.13Å; L535-A537 PolarHBondContact O-N 3.03Å; A537-A540 PolarHBondContact O-N 2.96Å; A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.36Å; A537-L584 HydrophobicContact CB-CD2 4.31Å
538H92Very high89.1Confident55 Ų5532 Ų3226%0.25518%0.175SC..Hα-helixtrans-66-47.7176.2-176.372.8000112.1L486 I490 A534 L535 A536 A540 K541 K542L486-H538 HydrophobicContact CD2-CB 4Å; I490-H538 HydrophobicContact CD1-CB 4.02Å; I490-H538 HydrophobicContact CG1-CB 3.77Å; A534-H538 WeakPolarHBondContact O-CB 3.36Å; A534-H538 PolarHBondContact O-N 3.35Å; L535-H538 WeakPolarHBondContact O-CB 3.24Å; L535-H538 PolarHBondContact O-N 2.99Å; A536-H538 VanDerWaalsContact C-N 3.32Å; A536-H538 PolarHBondContact O-N 3.29Å; H538-A540 VanDerWaalsContact C-N 3.28Å; H538-A540 PolarHBondContact O-N 3.48Å; H538-K541 PolarHBondContact O-N 2.86Å; H538-K542 WeakPolarHBondContact O-CB 3.35Å; H538-K542 PolarHBondContact O-N 3.15Å
539I92.2Very high89.1Confident7 Ų732.2 Ų32.24%0.03617%0.168CC..Hα-helixtrans-58.9-43.4175-65.9165000109.9V508 L535 A536 S543 I626V508-I539 HydrophobicContact CG2-CG2 3.71Å; L535-I539 HydrophobicContact CD1-CD1 4.41Å; L535-I539 HydrophobicContact CG-CD1 4.12Å; L535-I539 WeakPolarHBondContact O-CG1 3.33Å; L535-I539 PolarHBondContact O-N 3.45Å; A536-I539 PolarHBondContact O-N 3.29Å; I539-S543 PolarHBondContact O-N 3.17Å; I539-S543 VanDerWaalsContact O-N 3.12Å; I539-I626 HydrophobicContact CG2-CD1 4.1Å
540A90.6Very high89.2Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-62.5-46.2177.400000112.1A536 A537 H538 S543 I548 I582A536-A540 WeakPolarHBondContact O-CB 3.49Å; A536-A540 PolarHBondContact O-N 2.94Å; A537-A540 PolarHBondContact O-N 2.96Å; H538-A540 VanDerWaalsContact C-N 3.28Å; H538-A540 PolarHBondContact O-N 3.48Å; A540-S543 WeakPolarHBondContact O-CB 3.24Å; A540-S543 PolarHBondContact O-N 3.29Å; A540-S543 PolarHBondContact O-OG 3.14Å; A540-I548 HydrophobicContact CB-CG2 3.98Å; A540-I548 VanDerWaalsContact O-CD1 3.26Å; A540-I548 WeakPolarHBondContact O-CD1 3.23Å; A540-I582 HydrophobicContact CB-CD1 4.33Å; A540-I582 HydrophobicContact CB-CG2 4.13Å
541K88.4Confident89.3Confident108 Ų10828.7 Ų28.747%0.4715%0.149SC..Hα-helixtrans-62.8-44.9178.7-172.5171-179.4168.90112I482 L486 A537 H538 S543I482-K541 HydrophobicContact CG2-CB 4.08Å; I482-K541 HydrophobicContact CG2-CD 4.2Å; I482-K541 HydrophobicContact CG2-CG 4.49Å; L486-K541 HydrophobicContact CD1-CB 4.38Å; L486-K541 HydrophobicContact CD1-CD 3.84Å; A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.36Å; H538-K541 PolarHBondContact O-N 2.86Å; K541-S543 PolarHBondContact O-N 2.91Å
542K89.5Confident89.4Confident99 Ų9928.2 Ų28.243%0.4314%0.142SC..Hα-helixtrans-67.6-21.8-180-169.1179.9177.4-1680113.3D505 H538 D544D505-K542 WeakPolarHBondContact OD1-CD 3.45Å; D505-K542 IonicContact OD1-NZ 2.69Å; D505-K542 PolarHBondContact OD1-NZ 3.02Å; D505-K542 IonicContact OD2-NZ 3.6Å; D505-K542 PolarHBondContact OD2-NZ 2.97Å; H538-K542 WeakPolarHBondContact O-CB 3.35Å; H538-K542 PolarHBondContact O-N 3.15Å; K542-D544 PolarHBondContact O-N 3.47Å
543S86.4Confident89.3Confident2 Ų229.1 Ų29.11%0.01415%0.149CC..THydrogen-bonded Turntrans-65.8-23.1-178.377.90000114.2K512 I539 A540 K541 F545 I582K512-S543 WeakPolarHBondContact CE-O 3.43Å; K512-S543 PolarHBondContact NZ-O 3.03Å; I539-S543 PolarHBondContact O-N 3.17Å; I539-S543 VanDerWaalsContact O-N 3.12Å; A540-S543 WeakPolarHBondContact O-CB 3.24Å; A540-S543 PolarHBondContact O-N 3.29Å; A540-S543 PolarHBondContact O-OG 3.14Å; K541-S543 PolarHBondContact O-N 2.91Å; S543-F545 WeakPolarHBondContact O-CD1 3.49Å; S543-F545 PolarHBondContact O-N 2.91Å; S543-F545 WeakPolarHBondContact OG-CD1 3.4Å; S543-F545 PolarHBondContact OG-N 3.42Å; S543-I582 WeakPolarHBondContact OG-CD1 3.44Å
544D82.8Confident89.1Confident109 Ų10933.1 Ų33.158%0.58317%0.166SC*.THydrogen-bonded Turntrans52.927.8-170.8-65.8-36.1000114.6K542K542-D544 PolarHBondContact O-N 3.47Å
545F84.7Confident88.8Confident3 Ų335.8 Ų35.81%0.01318%0.176CC..  trans-65.4140.5175.4-85.242.2000110.2V508 A511 K512 S543 F547 I548 L580 I582 L624V508-F545 HydrophobicContact CG1-CE1 3.73Å; V508-F545 HydrophobicContact CG1-CZ 4.41Å; A511-F545 HydrophobicContact CB-CE2 4.42Å; A511-F545 HydrophobicContact CB-CZ 3.97Å; K512-F545 HydrophobicContact CD-CE1 4.01Å; K512-F545 HydrophobicContact CG-CE1 3.5Å; K512-F545 VanDerWaalsContact CG-CE1 3.5Å; K512-F545 HydrophobicContact CG-CZ 3.81Å; S543-F545 WeakPolarHBondContact O-CD1 3.49Å; S543-F545 PolarHBondContact O-N 2.91Å; S543-F545 WeakPolarHBondContact OG-CD1 3.4Å; S543-F545 PolarHBondContact OG-N 3.42Å; F545-F547 VanDerWaalsContact C-N 3.31Å; F545-F547 PolarHBondContact O-N 3.29Å; F545-I548 HydrophobicContact CB-CG1 4.41Å; F545-L580 HydrophobicContact CD2-CB 3.96Å; F545-L580 HydrophobicContact CE2-CB 4.27Å; F545-L580 HydrophobicContact CG-CB 4.39Å; F545-I582 HydrophobicContact CB-CD1 4.1Å; F545-I582 HydrophobicContact CB-CG1 3.87Å; F545-I582 HydrophobicContact CD1-CD1 4.13Å; F545-I582 HydrophobicContact CD1-CG1 4.37Å; F545-I582 HydrophobicContact CD2-CD1 3.93Å; F545-I582 HydrophobicContact CD2-CG1 3.29Å; F545-I582 HydrophobicContact CE2-CD1 4.33Å; F545-I582 HydrophobicContact CE2-CG1 3.81Å; F545-I582 HydrophobicContact CG-CD1 3.81Å; F545-I582 HydrophobicContact CG-CG1 3.61Å; F545-L624 HydrophobicContact CE2-CB 4.35Å
546P78.4Confident88.5Confident27 Ų2735.4 Ų35.418%0.17517%0.174CC..SBendtrans-57.4-42.5177.9-23.232.3000112.5N418 H477 L580N418-P546 PolarHBondContact ND2-O 3.07Å; H477-P546 PolarHBondContact CE1-O 2.93Å; H477-P546 PolarHBondContact NE2-O 2.83Å; P546-L580 HydrophobicContact CG-CB 4.34Å
547F84.8Confident88.3Confident6 Ų641 Ų413%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-115.9119.5-176.3-175.9-87.2000110.8F475 G476 F545 K549 D574 A575 L580 S581 I582F475-F547 HydrophobicContact CD1-CD2 4.43Å; F475-F547 AromaticContact CD1-CE2 3.92Å; F475-F547 HydrophobicContact CD1-CE2 3.92Å; F475-F547 HydrophobicContact CE1-CE2 4.23Å; G476-F547 VanDerWaalsContact CA-CE2 3.44Å; G476-F547 WeakPolarHBondContact O-CA 3.3Å; F545-F547 VanDerWaalsContact C-N 3.31Å; F545-F547 PolarHBondContact O-N 3.29Å; F547-K549 HydrophobicContact CD1-CB 4.41Å; F547-K549 HydrophobicContact CE1-CB 3.52Å; F547-K549 HydrophobicContact CZ-CB 3.85Å; F547-K549 HydrophobicContact CZ-CG 4.49Å; F547-D574 HydrophobicContact CE2-CB 4.45Å; F547-D574 HydrophobicContact CZ-CB 3.95Å; F547-A575 HydrophobicContact CD1-CB 4.18Å; F547-A575 HydrophobicContact CE1-CB 3.83Å; F547-L580 PolarHBondContact N-O 3.41Å; F547-S581 CarbonylContact O-C 3.46Å; F547-S581 VanDerWaalsContact O-CA 3.32Å; F547-S581 WeakPolarHBondContact O-CA 3.5Å; F547-I582 PolarHBondContact O-N 3.04Å
548I88.5Confident88.2Confident8 Ų844.9 Ų44.94%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-126.9118.7172.7-52.3170000108.4G476 S478 I482 A540 F545 I582G476-I548 PolarHBondContact O-N 3.19Å; S478-I548 PolarHBondContact N-O 3.1Å; I482-I548 HydrophobicContact CD1-CB 4.03Å; I482-I548 HydrophobicContact CD1-CD1 4.14Å; I482-I548 HydrophobicContact CD1-CG2 3.57Å; I482-I548 HydrophobicContact CG1-CG2 4.49Å; A540-I548 HydrophobicContact CB-CG2 3.98Å; A540-I548 VanDerWaalsContact O-CD1 3.26Å; A540-I548 WeakPolarHBondContact O-CD1 3.23Å; F545-I548 HydrophobicContact CB-CG1 4.41Å; I548-I582 WeakPolarHBondContact CA-O 3.42Å; I548-I582 HydrophobicContact CG1-CB 4.42Å; I548-I582 HydrophobicContact CG2-CB 4.4Å
549K89.1Confident88.1Confident75 Ų7547.4 Ų47.433%0.32626%0.257SS..EExtended strand (participates in β ladder)trans-119.8127.2176.2-174.763.5-176.7164.70110.9F547 I582 L583 L584F547-K549 HydrophobicContact CD1-CB 4.41Å; F547-K549 HydrophobicContact CE1-CB 3.52Å; F547-K549 HydrophobicContact CZ-CB 3.85Å; F547-K549 HydrophobicContact CZ-CG 4.49Å; K549-I582 PolarHBondContact N-O 3.39Å; K549-L583 HydrophobicContact CB-CD1 3.92Å; K549-L583 HydrophobicContact CG-CD1 4.12Å; K549-L584 PolarHBondContact O-N 3.03Å
550V91Very high88.2Confident5 Ų550.5 Ų50.53%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-93.9133.7170.6-172.90000108.5D481 I482 L485 L584D481-V550 HydrophobicContact CB-CB 4.3Å; D481-V550 HydrophobicContact CB-CG2 4.19Å; I482-V550 HydrophobicContact CG1-CG2 4.1Å; L485-V550 HydrophobicContact CD1-CG1 4.05Å; L485-V550 HydrophobicContact CD1-CG2 4.44Å; V550-L584 CarbonylContact C-O 3.53Å; V550-L584 HydrophobicContact CG1-CD2 4.19Å; V550-L584 HydrophobicContact CG1-CG 4.36Å; V550-L584 HydrophobicContact CG2-CB 4.37Å; V550-L584 HydrophobicContact CG2-CD2 4.09Å
551V92.2Very high88.3Confident6 Ų654.8 Ų54.84%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-116.899.7172.7-178.70000106.6M556 L568 A571 L583 L584 D586 L591V551-M556 HydrophobicContact CG1-CE 3.3Å; V551-L568 HydrophobicContact CG1-CD2 3.94Å; V551-A571 HydrophobicContact CG2-CB 3.84Å; V551-L583 HydrophobicContact CG2-CD1 3.74Å; V551-L583 HydrophobicContact CG2-CG 4.45Å; V551-L584 PolarHBondContact N-O 2.79Å; V551-D586 PolarHBondContact O-N 3.3Å; V551-L591 HydrophobicContact CG1-CD1 4.05Å
552S90.9Very high88.5Confident13 Ų1356.5 Ų56.59%0.09131%0.31CS..  trans-102.8143.5179-1790000110.6E554 D555S552-E554 PolarHBondContact O-N 3.07Å; S552-E554 WeakPolarHBondContact OG-CB 3.27Å; S552-E554 WeakPolarHBondContact OG-CG 3.45Å; S552-E554 PolarHBondContact OG-N 2.77Å; S552-D555 PolarHBondContact O-N 3.3Å
553P90.7Very high88.6Confident27 Ų2753.4 Ų53.418%0.17530%0.303CS..G310 helixtrans-62-18.6168.926.4-34.8000112.6D555 M556 V557 D586 N587 R590P553-D555 VanDerWaalsContact C-N 3.29Å; P553-D555 PolarHBondContact O-N 3.07Å; P553-M556 PolarHBondContact O-N 3.11Å; P553-M556 VanDerWaalsContact O-N 3.15Å; P553-V557 PolarHBondContact O-N 2.71Å; P553-D586 WeakPolarHBondContact CD-O 3.27Å; P553-N587 HydrophobicContact CG-CB 4.22Å; P553-R590 HydrophobicContact CB-CB 4.12Å; P553-R590 HydrophobicContact CG-CB 4.03Å
554E88.1Confident88.9Confident110 Ų11053.9 Ų53.951%0.51431%0.305SS..G310 helixtrans-61.8-34.5175.6-64.2-174.9-177.500112.7R484 S552 M556 V557R484-E554 IonicContact CZ-OE2 3.04Å; R484-E554 VanDerWaalsContact CZ-OE2 3.32Å; R484-E554 IonicContact NH1-OE2 3.35Å; R484-E554 PolarHBondContact NH1-OE2 3.18Å; R484-E554 IonicContact NH2-OE1 2.77Å; R484-E554 IonicContact NH2-OE2 3.88Å; R484-E554 PolarHBondContact NH2-OE2 3.38Å; S552-E554 PolarHBondContact O-N 3.07Å; S552-E554 WeakPolarHBondContact OG-CB 3.27Å; S552-E554 WeakPolarHBondContact OG-CG 3.45Å; S552-E554 PolarHBondContact OG-N 2.77Å; E554-M556 VanDerWaalsContact C-N 3.25Å; E554-M556 PolarHBondContact O-N 2.65Å; E554-V557 WeakPolarHBondContact O-CG2 3.14Å
555D85.8Confident89.4Confident79 Ų7949 Ų4942%0.42228%0.28SS..G310 helixtrans-79.7-12.1178.8-57.5-37.6000112.3S552 P553S552-D555 PolarHBondContact O-N 3.3Å; P553-D555 VanDerWaalsContact C-N 3.29Å; P553-D555 PolarHBondContact O-N 3.07Å
556M87.9Confident89.7Confident4 Ų451.6 Ų51.62%0.0230%0.301CS..G310 helixtrans-110.315.3-174.5-61.4-174.2-172.600113.1V551 P553 E554 G558 Y559 K564 M567 L568 L591V551-M556 HydrophobicContact CG1-CE 3.3Å; P553-M556 PolarHBondContact O-N 3.11Å; P553-M556 VanDerWaalsContact O-N 3.15Å; E554-M556 VanDerWaalsContact C-N 3.25Å; E554-M556 PolarHBondContact O-N 2.65Å; M556-G558 PolarHBondContact O-N 2.76Å; M556-Y559 HydrophobicContact CB-CG 4.45Å; M556-Y559 WeakPolarHBondContact O-CB 3.31Å; M556-Y559 PolarHBondContact O-N 3.39Å; M556-Y559 VanDerWaalsContact O-N 3.14Å; M556-K564 HydrophobicContact CB-CG 4.33Å; M556-K564 HydrophobicContact SD-CB 4.23Å; M556-K564 HydrophobicContact SD-CG 4.06Å; M556-M567 HydrophobicContact CE-CB 4.08Å; M556-M567 HydrophobicContact CE-CE 4.39Å; M556-M567 HydrophobicContact CE-CG 3.97Å; M556-M567 HydrophobicContact CE-SD 3.26Å; M556-M567 WeakPolarHBondContact CE-SD 3.26Å; M556-M567 HydrophobicContact CG-CE 3.58Å; M556-M567 HydrophobicContact CG-SD 3.61Å; M556-M567 HydrophobicContact SD-SD 4.2Å; M556-L568 HydrophobicContact CE-CD2 4.41Å; M556-L568 HydrophobicContact CE-CG 4.42Å; M556-L591 HydrophobicContact CE-CD1 4.05Å; M556-L591 HydrophobicContact SD-CD1 3.91Å; M556-L591 HydrophobicContact SD-CG 4.29Å
557V89.1Confident90.3Very high117 Ų11752.7 Ų52.771%0.70931%0.305SS*.THydrogen-bonded Turntrans-62.6124.2-178.5177.30000110.1P553 E554 Y559P553-V557 PolarHBondContact O-N 2.71Å; E554-V557 WeakPolarHBondContact O-CG2 3.14Å; V557-Y559 VanDerWaalsContact C-N 3.29Å; V557-Y559 PolarHBondContact O-N 2.92Å
558G89.1Confident90.7Very high83 Ų8352.4 Ų52.486%0.85630%0.303SS*.THydrogen-bonded Turntrans80.41.918000000115.2M556M556-G558 PolarHBondContact O-N 2.76Å
559Y90.8Very high90.8Very high108 Ų10858.5 Ų58.542%0.42433%0.326SS..  trans-71141.5178.8-81.141.6000110.8M556 V557 A563 M567M556-Y559 HydrophobicContact CB-CG 4.45Å; M556-Y559 WeakPolarHBondContact O-CB 3.31Å; M556-Y559 PolarHBondContact O-N 3.39Å; M556-Y559 VanDerWaalsContact O-N 3.14Å; V557-Y559 VanDerWaalsContact C-N 3.29Å; V557-Y559 PolarHBondContact O-N 2.92Å; Y559-A563 HydrophobicContact CD2-CB 3.64Å; Y559-A563 HydrophobicContact CE2-CB 4.43Å; Y559-A563 HydrophobicContact CG-CB 4.17Å; Y559-M567 HydrophobicContact CD2-CE 3.93Å; Y559-M567 HydrophobicContact CE2-CE 3.29Å
560S93.4Very high90.7Very high72 Ų7261.3 Ų61.350%0.50334%0.338SS..  trans-66157.7166.668.40000110.7M562 A563 K564S560-M562 PolarHBondContact O-N 3.28Å; S560-M562 VanDerWaalsContact O-N 3.17Å; S560-A563 PolarHBondContact O-N 3.07Å; S560-A563 PolarHBondContact OG-N 3.26Å; S560-K564 PolarHBondContact O-N 2.75Å
561E92.4Very high90.7Very high89 Ų8961.4 Ų61.442%0.41634%0.339SS..Hα-helixtrans-53.8-38.5178-53.1-177.1120.300111.9K564 C565 S602 L604 V605E561-K564 PolarHBondContact O-N 3.36Å; E561-C565 WeakPolarHBondContact O-CB 3.1Å; E561-C565 PolarHBondContact O-N 3.19Å; E561-C565 PolarHBondContact O-SG 2.86Å; E561-S602 VanDerWaalsContact CG-OG 3.26Å; E561-S602 WeakPolarHBondContact CG-OG 3.41Å; E561-S602 WeakPolarHBondContact OE1-CA 3.47Å; E561-S602 VanDerWaalsContact OE1-CB 3.22Å; E561-S602 WeakPolarHBondContact OE1-CB 3.34Å; E561-S602 PolarHBondContact OE1-OG 2.87Å; E561-L604 HydrophobicContact CB-CB 4.34Å; E561-L604 HydrophobicContact CB-CD2 3.95Å; E561-V605 HydrophobicContact CB-CG2 4.37Å
562M92.4Very high90.7Very high144 Ų14461.1 Ų61.171%0.70934%0.338SS*.Hα-helixtrans-67.8-39.1177.4-169.2165.972.900112.3S560 C565 A566S560-M562 PolarHBondContact O-N 3.28Å; S560-M562 VanDerWaalsContact O-N 3.17Å; M562-C565 PolarHBondContact O-N 3.18Å; M562-A566 WeakPolarHBondContact O-CB 3.39Å; M562-A566 PolarHBondContact O-N 3.36Å
563A92.2Very high90.5Very high34 Ų3464.1 Ų64.128%0.28135%0.353SS..Hα-helixtrans-68.3-39.3176.200000111.7Y559 S560 A566 M567Y559-A563 HydrophobicContact CD2-CB 3.64Å; Y559-A563 HydrophobicContact CE2-CB 4.43Å; Y559-A563 HydrophobicContact CG-CB 4.17Å; S560-A563 PolarHBondContact O-N 3.07Å; S560-A563 PolarHBondContact OG-N 3.26Å; A563-A566 PolarHBondContact O-N 3.23Å; A563-M567 PolarHBondContact O-N 3.07Å
564K93Very high90.2Very high13 Ų1364.1 Ų64.16%0.05735%0.351CS..Hα-helixtrans-60-47.9172.4-68.2-174.9177.9-176.10111.5M556 S560 E561 A566 M567 L568 D593 V605M556-K564 HydrophobicContact CB-CG 4.33Å; M556-K564 HydrophobicContact SD-CB 4.23Å; M556-K564 HydrophobicContact SD-CG 4.06Å; S560-K564 PolarHBondContact O-N 2.75Å; E561-K564 PolarHBondContact O-N 3.36Å; K564-A566 VanDerWaalsContact C-N 3.32Å; K564-A566 PolarHBondContact O-N 2.8Å; K564-M567 PolarHBondContact O-N 3.23Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 3.31Å; K564-D593 IonicContact NZ-OD1 2.63Å; K564-D593 PolarHBondContact NZ-OD1 2.87Å; K564-D593 IonicContact NZ-OD2 3.41Å; K564-D593 PolarHBondContact NZ-OD2 3.03Å; K564-V605 HydrophobicContact CB-CG2 3.97Å; K564-V605 HydrophobicContact CD-CG2 4.31Å
565C93.4Very high90.1Very high7 Ų758.9 Ų58.95%0.04733%0.327CS..Hα-helixtrans-58.5-41.3174.9-760000112.9E561 M562 L568 R569E561-C565 WeakPolarHBondContact O-CB 3.1Å; E561-C565 PolarHBondContact O-N 3.19Å; E561-C565 PolarHBondContact O-SG 2.86Å; M562-C565 PolarHBondContact O-N 3.18Å; C565-L568 PolarHBondContact O-N 3.33Å; C565-R569 VanDerWaalsContact O-CG 3.3Å; C565-R569 WeakPolarHBondContact O-CG 3.47Å; C565-R569 PolarHBondContact O-N 3.39Å
566A90.8Very high90.2Very high56 Ų5655.9 Ų55.946%0.46331%0.31SS..Hα-helixtrans-65.6-41.6177.600000111.8M562 A563 K564 R569 K570M562-A566 WeakPolarHBondContact O-CB 3.39Å; M562-A566 PolarHBondContact O-N 3.36Å; A563-A566 PolarHBondContact O-N 3.23Å; K564-A566 VanDerWaalsContact C-N 3.32Å; K564-A566 PolarHBondContact O-N 2.8Å; A566-R569 PolarHBondContact O-N 3.04Å; A566-K570 WeakPolarHBondContact O-CB 3.48Å; A566-K570 PolarHBondContact O-N 3.23Å
567M90.3Very high89.7Confident51 Ų5159.2 Ų59.225%0.25132%0.324SS..Hα-helixtrans-64.6-43.3175.9-167.6-166.1-63.800111.6M556 Y559 A563 K564 K570 A571M556-M567 HydrophobicContact CE-CB 4.08Å; M556-M567 HydrophobicContact CE-CE 4.39Å; M556-M567 HydrophobicContact CE-CG 3.97Å; M556-M567 HydrophobicContact CE-SD 3.26Å; M556-M567 WeakPolarHBondContact CE-SD 3.26Å; M556-M567 HydrophobicContact CG-CE 3.58Å; M556-M567 HydrophobicContact CG-SD 3.61Å; M556-M567 HydrophobicContact SD-SD 4.2Å; Y559-M567 HydrophobicContact CD2-CE 3.93Å; Y559-M567 HydrophobicContact CE2-CE 3.29Å; A563-M567 PolarHBondContact O-N 3.07Å; K564-M567 PolarHBondContact O-N 3.23Å; M567-K570 PolarHBondContact O-N 3.46Å; M567-A571 PolarHBondContact O-N 3.24Å
568L92.7Very high89.3Confident0 Ų053.8 Ų53.80%029%0.291CS..Hα-helixtrans-58.7-50.8174.4-76.4173.5000111.7V551 M556 K564 C565 K570 A571 F572 L591 V605 L609 L612V551-L568 HydrophobicContact CG1-CD2 3.94Å; M556-L568 HydrophobicContact CE-CD2 4.41Å; M556-L568 HydrophobicContact CE-CG 4.42Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 3.31Å; C565-L568 PolarHBondContact O-N 3.33Å; L568-K570 VanDerWaalsContact C-N 3.3Å; L568-K570 PolarHBondContact O-N 2.9Å; L568-A571 PolarHBondContact O-N 3.18Å; L568-A571 VanDerWaalsContact O-N 3.11Å; L568-F572 WeakPolarHBondContact O-CD2 3.31Å; L568-F572 PolarHBondContact O-N 3.06Å; L568-L591 HydrophobicContact CD1-CD2 3.94Å; L568-L591 HydrophobicContact CD2-CD1 4.34Å; L568-L591 HydrophobicContact CD2-CD2 4.47Å; L568-V605 HydrophobicContact CD1-CG1 3.94Å; L568-L609 HydrophobicContact CD1-CD2 3.73Å; L568-L609 HydrophobicContact CD1-CG 3.92Å; L568-L609 HydrophobicContact CD2-CD2 3.95Å; L568-L609 HydrophobicContact CG-CD2 4.48Å; L568-L612 HydrophobicContact CB-CD1 4.03Å
569R91.5Very high88.9Confident136 Ų13653.1 Ų53.151%0.51327%0.272SS..Hα-helixtrans-56.1-46.5177.6-73.2174.4-164.5-93.70.3111.3C565 A566 A571 F572 D573 L612C565-R569 VanDerWaalsContact O-CG 3.3Å; C565-R569 WeakPolarHBondContact O-CG 3.47Å; C565-R569 PolarHBondContact O-N 3.39Å; A566-R569 PolarHBondContact O-N 3.04Å; R569-A571 VanDerWaalsContact C-N 3.34Å; R569-A571 PolarHBondContact O-N 2.97Å; R569-F572 PolarHBondContact O-N 3.01Å; R569-D573 WeakPolarHBondContact O-CB 3.37Å; R569-D573 VanDerWaalsContact O-CG 3.29Å; R569-D573 PolarHBondContact O-N 3.35Å; R569-L612 HydrophobicContact CG-CD1 4.39Å
570K87.7Confident88.7Confident134 Ų13449.9 Ų49.958%0.58326%0.261SS*.Hα-helixtrans-57.6-45176.3-176.1-176.7175.8-172.20111.9A566 M567 L568 F572 D573 D574A566-K570 WeakPolarHBondContact O-CB 3.48Å; A566-K570 PolarHBondContact O-N 3.23Å; M567-K570 PolarHBondContact O-N 3.46Å; L568-K570 VanDerWaalsContact C-N 3.3Å; L568-K570 PolarHBondContact O-N 2.9Å; K570-F572 PolarHBondContact O-N 3.3Å; K570-D573 PolarHBondContact O-N 2.85Å; K570-D574 WeakPolarHBondContact O-CB 3.3Å; K570-D574 VanDerWaalsContact O-CG 3.26Å; K570-D574 PolarHBondContact O-N 2.98Å
571A89.7Confident88.6Confident7 Ų746.5 Ų46.56%0.05824%0.238CC..Hα-helixtrans-62.9-40.1179.800000112.5V551 M567 L568 R569 A575 L583V551-A571 HydrophobicContact CG2-CB 3.84Å; M567-A571 PolarHBondContact O-N 3.24Å; L568-A571 PolarHBondContact O-N 3.18Å; L568-A571 VanDerWaalsContact O-N 3.11Å; R569-A571 VanDerWaalsContact C-N 3.34Å; R569-A571 PolarHBondContact O-N 2.97Å; A571-A575 WeakPolarHBondContact O-CB 3.34Å; A571-A575 PolarHBondContact O-N 3.38Å; A571-L583 HydrophobicContact CB-CD1 3.98Å
572F91.9Very high88.6Confident0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-67.9-43.8173.4-85-95.9000112.2L568 R569 K570 D574 A575 Y576 L583 I585 L612 L623 V625L568-F572 WeakPolarHBondContact O-CD2 3.31Å; L568-F572 PolarHBondContact O-N 3.06Å; R569-F572 PolarHBondContact O-N 3.01Å; K570-F572 PolarHBondContact O-N 3.3Å; F572-D574 VanDerWaalsContact C-N 3.31Å; F572-D574 PolarHBondContact O-N 2.74Å; F572-A575 WeakPolarHBondContact O-CB 3.37Å; F572-A575 PolarHBondContact O-N 2.99Å; F572-Y576 HydrophobicContact CB-CE2 4.21Å; F572-Y576 WeakPolarHBondContact O-CD2 3.18Å; F572-Y576 PolarHBondContact O-N 3.07Å; F572-L583 HydrophobicContact CD1-CD2 4.1Å; F572-L583 HydrophobicContact CD2-CD2 3.48Å; F572-L583 VanDerWaalsContact CD2-CD2 3.48Å; F572-L583 HydrophobicContact CE1-CD2 3.9Å; F572-L583 HydrophobicContact CE2-CD2 3.26Å; F572-L583 HydrophobicContact CG-CD2 3.91Å; F572-L583 HydrophobicContact CZ-CD2 3.49Å; F572-L583 VanDerWaalsContact CZ-CD2 3.49Å; F572-I585 HydrophobicContact CE2-CD1 4.15Å; F572-I585 HydrophobicContact CZ-CD1 4.22Å; F572-L612 HydrophobicContact CB-CD2 4.15Å; F572-L612 HydrophobicContact CD1-CB 4.18Å; F572-L612 HydrophobicContact CD1-CD2 4.46Å; F572-L612 HydrophobicContact CD2-CB 3.98Å; F572-L612 HydrophobicContact CD2-CD1 3.77Å; F572-L612 HydrophobicContact CD2-CD2 4.22Å; F572-L612 HydrophobicContact CD2-CG 4.21Å; F572-L612 HydrophobicContact CE1-CB 3.93Å; F572-L612 WeakPolarHBondContact CE1-O 3.27Å; F572-L612 HydrophobicContact CE2-CB 3.7Å; F572-L612 HydrophobicContact CE2-CD1 3.95Å; F572-L612 HydrophobicContact CE2-CG 4.34Å; F572-L612 HydrophobicContact CG-CB 4.21Å; F572-L612 HydrophobicContact CG-CD1 4.42Å; F572-L612 HydrophobicContact CG-CD2 4.04Å; F572-L612 HydrophobicContact CG-CG 4.45Å; F572-L612 HydrophobicContact CZ-CB 3.68Å; F572-L623 HydrophobicContact CD1-CD2 3.96Å; F572-L623 HydrophobicContact CE1-CD2 4.05Å; F572-V625 HydrophobicContact CE1-CG2 4.07Å; F572-V625 HydrophobicContact CZ-CG2 4.38Å
573D87Confident88.7Confident76 Ų7635.4 Ų35.441%0.40618%0.184SC..Hα-helixtrans-64.5-36.4178.6-69.7-25.1000112.1R569 K570 Y576R569-D573 WeakPolarHBondContact O-CB 3.37Å; R569-D573 VanDerWaalsContact O-CG 3.29Å; R569-D573 PolarHBondContact O-N 3.35Å; K570-D573 PolarHBondContact O-N 2.85Å; D573-Y576 PolarHBondContact O-N 3.14Å
574D84.2Confident88.8Confident26 Ų2633.8 Ų33.814%0.13917%0.171CC..Hα-helixtrans-67.8-40.5172.5-71.6-23.1000111.4F475 F547 K570 F572 Y576 K577F475-D574 HydrophobicContact CE1-CB 3.98Å; F475-D574 HydrophobicContact CZ-CB 4.34Å; F475-D574 WeakPolarHBondContact CZ-OD1 3.47Å; F547-D574 HydrophobicContact CE2-CB 4.45Å; F547-D574 HydrophobicContact CZ-CB 3.95Å; K570-D574 WeakPolarHBondContact O-CB 3.3Å; K570-D574 VanDerWaalsContact O-CG 3.26Å; K570-D574 PolarHBondContact O-N 2.98Å; F572-D574 VanDerWaalsContact C-N 3.31Å; F572-D574 PolarHBondContact O-N 2.74Å; D574-Y576 VanDerWaalsContact C-N 3.27Å; D574-Y576 PolarHBondContact O-N 2.85Å; D574-K577 WeakPolarHBondContact O-CB 3.42Å; D574-K577 PolarHBondContact O-N 3.31Å; D574-K577 IonicContact OD1-NZ 3.03Å; D574-K577 PolarHBondContact OD1-NZ 2.91Å
575A87.6Confident88.9Confident0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-63.5-32.5174.400000112.5F547 A571 F572 K577 S581 L623F547-A575 HydrophobicContact CD1-CB 4.18Å; F547-A575 HydrophobicContact CE1-CB 3.83Å; A571-A575 WeakPolarHBondContact O-CB 3.34Å; A571-A575 PolarHBondContact O-N 3.38Å; F572-A575 WeakPolarHBondContact O-CB 3.37Å; F572-A575 PolarHBondContact O-N 2.99Å; A575-K577 PolarHBondContact O-N 2.84Å; A575-S581 WeakPolarHBondContact O-CB 3.34Å; A575-S581 PolarHBondContact O-OG 3.37Å; A575-L623 HydrophobicContact CB-CD1 3.9Å
576Y86.3Confident88.9Confident17 Ų1733.2 Ų33.27%0.06717%0.168CC..THydrogen-bonded Turntrans-73.7-1.6172.9-60.1-36.7000113.8F572 D573 D574 K615 P617 K621 L623F572-Y576 HydrophobicContact CB-CE2 4.21Å; F572-Y576 WeakPolarHBondContact O-CD2 3.18Å; F572-Y576 PolarHBondContact O-N 3.07Å; D573-Y576 PolarHBondContact O-N 3.14Å; D574-Y576 VanDerWaalsContact C-N 3.27Å; D574-Y576 PolarHBondContact O-N 2.85Å; Y576-K615 HydrophobicContact CE2-CD 4.38Å; Y576-K615 PolarHBondContact OH-O 2.96Å; Y576-P617 HydrophobicContact CD1-CB 3.81Å; Y576-P617 HydrophobicContact CE1-CB 3.79Å; Y576-K621 WeakPolarHBondContact O-CD 3.49Å; Y576-K621 VanDerWaalsContact O-CE 3.23Å; Y576-K621 WeakPolarHBondContact O-CE 3.41Å; Y576-K621 PolarHBondContact O-NZ 3.1Å; Y576-L623 HydrophobicContact CD1-CD2 4.48Å; Y576-L623 HydrophobicContact CE1-CD2 3.76Å
577K77.8Confident89Confident73 Ų7332.4 Ų32.432%0.31716%0.156SC..THydrogen-bonded Turntrans-82.4-37173.7-68.4168.9-172.2164.30111.2P244 F475 D574 A575 K621P244-K577 HydrophobicContact CG-CD 4.23Å; F475-K577 HydrophobicContact CE1-CD 3.96Å; F475-K577 HydrophobicContact CZ-CD 4.04Å; D574-K577 WeakPolarHBondContact O-CB 3.42Å; D574-K577 PolarHBondContact O-N 3.31Å; D574-K577 IonicContact OD1-NZ 3.03Å; D574-K577 PolarHBondContact OD1-NZ 2.91Å; A575-K577 PolarHBondContact O-N 2.84Å; K577-K621 PolarHBondContact O-NZ 3.17Å
578S80.3Confident89.1Confident3 Ų330 Ų302%0.02114%0.144CC..SBendtrans-76.3147178.4-175.40000112.6L580S578-L580 VanDerWaalsContact C-N 3.31Å; S578-L580 PolarHBondContact OG-N 3.02Å; S578-L580 PolarHBondContact OG-O 3.45Å
579P80.7Confident89.1Confident69 Ų6930.6 Ų30.645%0.44815%0.147SC..SBendtrans-64.1-35.3171.325.3-34.3000112.8K621 R622P579-K621 WeakPolarHBondContact O-CA 3.04Å; P579-R622 PolarHBondContact O-N 2.61Å
580L87.5Confident89.1Confident40 Ų4031.9 Ų31.921%0.20915%0.152CC..EExtended strand (participates in β ladder)trans-131.1124.9176.7-64.9178.2000109F545 P546 F547 S578 R622F545-L580 HydrophobicContact CD2-CB 3.96Å; F545-L580 HydrophobicContact CE2-CB 4.27Å; F545-L580 HydrophobicContact CG-CB 4.39Å; P546-L580 HydrophobicContact CG-CB 4.34Å; F547-L580 PolarHBondContact N-O 3.41Å; S578-L580 VanDerWaalsContact C-N 3.31Å; S578-L580 PolarHBondContact OG-N 3.02Å; S578-L580 PolarHBondContact OG-O 3.45Å; L580-R622 WeakPolarHBondContact CA-O 3.14Å; L580-R622 HydrophobicContact CD2-CB 3.78Å; L580-R622 HydrophobicContact CD2-CG 4.01Å
581S90.9Very high89.3Confident1 Ų125.6 Ų25.61%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-139.5146.1-178.848.80000113.5F547 A575 R622 L623 L624F547-S581 CarbonylContact O-C 3.46Å; F547-S581 VanDerWaalsContact O-CA 3.32Å; F547-S581 WeakPolarHBondContact O-CA 3.5Å; A575-S581 WeakPolarHBondContact O-CB 3.34Å; A575-S581 PolarHBondContact O-OG 3.37Å; S581-R622 PolarHBondContact N-O 3.43Å; S581-R622 PolarHBondContact OG-O 2.91Å; S581-L623 WeakPolarHBondContact O-CA 3.23Å; S581-L623 WeakPolarHBondContact OG-CD1 3.32Å; S581-L624 PolarHBondContact O-N 2.92Å
582I92.8Very high89.5Confident0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-115.8129.2168.7-55-168.8000108.7A540 S543 F545 F547 I548 K549 L624 I626A540-I582 HydrophobicContact CB-CD1 4.33Å; A540-I582 HydrophobicContact CB-CG2 4.13Å; S543-I582 WeakPolarHBondContact OG-CD1 3.44Å; F545-I582 HydrophobicContact CB-CD1 4.1Å; F545-I582 HydrophobicContact CB-CG1 3.87Å; F545-I582 HydrophobicContact CD1-CD1 4.13Å; F545-I582 HydrophobicContact CD1-CG1 4.37Å; F545-I582 HydrophobicContact CD2-CD1 3.93Å; F545-I582 HydrophobicContact CD2-CG1 3.29Å; F545-I582 HydrophobicContact CE2-CD1 4.33Å; F545-I582 HydrophobicContact CE2-CG1 3.81Å; F545-I582 HydrophobicContact CG-CD1 3.81Å; F545-I582 HydrophobicContact CG-CG1 3.61Å; F547-I582 PolarHBondContact O-N 3.04Å; I548-I582 WeakPolarHBondContact CA-O 3.42Å; I548-I582 HydrophobicContact CG1-CB 4.42Å; I548-I582 HydrophobicContact CG2-CB 4.4Å; K549-I582 PolarHBondContact N-O 3.39Å; I582-L624 CarbonylContact C-O 3.59Å; I582-L624 VanDerWaalsContact CA-O 3.27Å; I582-L624 WeakPolarHBondContact CA-O 3.49Å; I582-L624 HydrophobicContact CD1-CD2 3.96Å; I582-L624 HydrophobicContact CG1-CB 4.21Å; I582-L624 HydrophobicContact CG1-CD2 4.28Å; I582-I626 HydrophobicContact CG2-CD1 4.11Å; I582-I626 HydrophobicContact CG2-CG1 4.39Å
583L94Very high89.4Confident0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-113.6112.8171.4-171.369.3000109.2K549 V551 A571 F572 I585 L623 L624 V625 I626K549-L583 HydrophobicContact CB-CD1 3.92Å; K549-L583 HydrophobicContact CG-CD1 4.12Å; V551-L583 HydrophobicContact CG2-CD1 3.74Å; V551-L583 HydrophobicContact CG2-CG 4.45Å; A571-L583 HydrophobicContact CB-CD1 3.98Å; F572-L583 HydrophobicContact CD1-CD2 4.1Å; F572-L583 HydrophobicContact CD2-CD2 3.48Å; F572-L583 VanDerWaalsContact CD2-CD2 3.48Å; F572-L583 HydrophobicContact CE1-CD2 3.9Å; F572-L583 HydrophobicContact CE2-CD2 3.26Å; F572-L583 HydrophobicContact CG-CD2 3.91Å; F572-L583 HydrophobicContact CZ-CD2 3.49Å; F572-L583 VanDerWaalsContact CZ-CD2 3.49Å; L583-I585 HydrophobicContact CD2-CD1 4.24Å; L583-I585 HydrophobicContact CD2-CG1 4.28Å; L583-I585 HydrophobicContact CG-CG1 4.22Å; L583-L623 HydrophobicContact CB-CD1 4.17Å; L583-L624 PolarHBondContact N-O 3.18Å; L583-V625 WeakPolarHBondContact O-CA 3.38Å; L583-I626 PolarHBondContact O-N 2.83Å
584L94.6Very high89.6Confident0 Ų027 Ų270%013%0.129CC..EExtended strand (participates in β ladder)trans-95111.1175.917658.8000109.6L485 A536 A537 K549 V550 V551 I626 T628L485-L584 HydrophobicContact CD1-CD2 4.12Å; A536-L584 HydrophobicContact CB-CD1 3.38Å; A536-L584 HydrophobicContact CB-CD2 4.27Å; A536-L584 HydrophobicContact CB-CG 4.49Å; A537-L584 HydrophobicContact CB-CD2 4.31Å; K549-L584 PolarHBondContact O-N 3.03Å; V550-L584 CarbonylContact C-O 3.53Å; V550-L584 HydrophobicContact CG1-CD2 4.19Å; V550-L584 HydrophobicContact CG1-CG 4.36Å; V550-L584 HydrophobicContact CG2-CB 4.37Å; V550-L584 HydrophobicContact CG2-CD2 4.09Å; V551-L584 PolarHBondContact N-O 2.79Å; L584-I626 CarbonylContact C-O 3.59Å; L584-I626 VanDerWaalsContact CA-O 3.31Å; L584-I626 WeakPolarHBondContact CA-O 3.46Å; L584-I626 HydrophobicContact CD1-CB 4.09Å; L584-I626 HydrophobicContact CD1-CG2 4.03Å; L584-T628 HydrophobicContact CD1-CG2 4.43Å
585I94.9Very high89.7Confident0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-101.7105176.4-53.8176.7000108.5F572 L583 L588 L591 L609 V625 I626 A627 T628F572-I585 HydrophobicContact CE2-CD1 4.15Å; F572-I585 HydrophobicContact CZ-CD1 4.22Å; L583-I585 HydrophobicContact CD2-CD1 4.24Å; L583-I585 HydrophobicContact CD2-CG1 4.28Å; L583-I585 HydrophobicContact CG-CG1 4.22Å; I585-L588 HydrophobicContact CB-CD2 4.47Å; I585-L588 HydrophobicContact CG2-CD2 3.6Å; I585-L591 HydrophobicContact CG2-CD1 4.31Å; I585-L609 HydrophobicContact CD1-CD2 4.1Å; I585-V625 HydrophobicContact CD1-CG1 3.98Å; I585-V625 HydrophobicContact CG1-CG1 4.48Å; I585-I626 PolarHBondContact N-O 2.68Å; I585-A627 HydrophobicContact CB-CB 4.28Å; I585-A627 CarbonylContact O-C 3.6Å; I585-A627 VanDerWaalsContact O-CA 3.24Å; I585-A627 WeakPolarHBondContact O-CA 3.43Å; I585-T628 PolarHBondContact O-N 3.36Å
586D93.6Very high89.5Confident8 Ų835.9 Ų35.94%0.04317%0.169CC..  trans-86.5141.9-176.2-170.443.8000112.5T533 V551 P553 T628T533-D586 WeakPolarHBondContact CB-OD1 3.5Å; T533-D586 HydrophobicContact CG2-CB 4.27Å; T533-D586 WeakPolarHBondContact CG2-OD1 3.46Å; T533-D586 PolarHBondContact OG1-OD1 3.1Å; V551-D586 PolarHBondContact O-N 3.3Å; P553-D586 WeakPolarHBondContact CD-O 3.27Å; D586-T628 WeakPolarHBondContact CA-OG1 3.21Å; D586-T628 PolarHBondContact OD1-OG1 2.88Å
587N93Very high89.4Confident40 Ų4042 Ų4221%0.21420%0.201CC..  trans4866.7172.2-71-50.1000113.7P553 E589 R590 L591 T628P553-N587 HydrophobicContact CG-CB 4.22Å; N587-E589 PolarHBondContact O-N 2.74Å; N587-E589 VanDerWaalsContact O-N 3.14Å; N587-R590 HydrophobicContact CB-CB 4.2Å; N587-R590 HydrophobicContact CB-CG 4.32Å; N587-R590 PolarHBondContact O-N 2.9Å; N587-L591 PolarHBondContact O-N 3.49Å; N587-L591 VanDerWaalsContact O-N 3.1Å; N587-T628 PolarHBondContact N-O 3.31Å; N587-T628 PolarHBondContact N-OG1 3.49Å
588L93.4Very high89.4Confident0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-49.6-42.7-178.5-76.5177.8000113.4L523 I585 R590 L591 L592 L609 A627 T628 M635 I640 F644L523-L588 HydrophobicContact CD1-CD1 3.76Å; I585-L588 HydrophobicContact CB-CD2 4.47Å; I585-L588 HydrophobicContact CG2-CD2 3.6Å; L588-R590 PolarHBondContact O-N 2.84Å; L588-L591 PolarHBondContact O-N 2.85Å; L588-L592 WeakPolarHBondContact O-CB 3.11Å; L588-L592 VanDerWaalsContact O-CG 3.29Å; L588-L592 WeakPolarHBondContact O-CG 3.26Å; L588-L592 PolarHBondContact O-N 3.39Å; L588-L609 HydrophobicContact CD2-CD1 4.03Å; L588-A627 HydrophobicContact CD1-CB 3.73Å; L588-A627 HydrophobicContact CD2-CB 4.33Å; L588-A627 HydrophobicContact CG-CB 4.04Å; L588-T628 PolarHBondContact N-O 2.96Å; L588-M635 HydrophobicContact CB-CE 4.41Å; L588-M635 HydrophobicContact CB-SD 4.15Å; L588-M635 HydrophobicContact CD1-SD 4.31Å; L588-I640 HydrophobicContact CD1-CD1 4.38Å; L588-F644 HydrophobicContact CD1-CE2 4.16Å; L588-F644 HydrophobicContact CD1-CZ 4.02Å
589E91.5Very high89.3Confident12 Ų1245.2 Ų45.26%0.05624%0.24CC..Hα-helixtrans-60-32178.360.4-88.8-157.300113.4N587 D593 Y594 T629 S630 M635N587-E589 PolarHBondContact O-N 2.74Å; N587-E589 VanDerWaalsContact O-N 3.14Å; E589-D593 PolarHBondContact O-N 3.2Å; E589-Y594 VanDerWaalsContact O-CB 3.3Å; E589-Y594 WeakPolarHBondContact O-CB 3.49Å; E589-Y594 PolarHBondContact O-N 2.8Å; E589-T629 VanDerWaalsContact OE2-CA 3.26Å; E589-T629 WeakPolarHBondContact OE2-CA 3.48Å; E589-T629 WeakPolarHBondContact OE2-CB 3.31Å; E589-T629 PolarHBondContact OE2-OG1 3.31Å; E589-S630 WeakPolarHBondContact OE1-CA 3.45Å; E589-S630 WeakPolarHBondContact OE1-CB 3.28Å; E589-S630 PolarHBondContact OE1-N 3.48Å; E589-S630 PolarHBondContact OE1-OG 2.9Å; E589-S630 PolarHBondContact OE2-N 2.69Å; E589-M635 HydrophobicContact CB-CE 3.92Å
590R92.3Very high89.7Confident164 Ų16450.5 Ų50.562%0.61925%0.251SS*.Hα-helixtrans-80.8-36176.8-69.1-55.5-172-179.51.1111.9P553 N587 L588 L592 D593P553-R590 HydrophobicContact CB-CB 4.12Å; P553-R590 HydrophobicContact CG-CB 4.03Å; N587-R590 HydrophobicContact CB-CB 4.2Å; N587-R590 HydrophobicContact CB-CG 4.32Å; N587-R590 PolarHBondContact O-N 2.9Å; L588-R590 PolarHBondContact O-N 2.84Å; R590-L592 VanDerWaalsContact C-N 3.26Å; R590-L592 PolarHBondContact O-N 3.06Å; R590-D593 PolarHBondContact O-N 2.7Å; R590-D593 VanDerWaalsContact O-N 3.1Å
591L92.2Very high89.9Confident1 Ų153.1 Ų53.11%0.00526%0.259CS..Hα-helixtrans-64.8-35.2175.6-165.8139.2000111.6V551 M556 L568 I585 N587 L588 D593 V605 L609V551-L591 HydrophobicContact CG1-CD1 4.05Å; M556-L591 HydrophobicContact CE-CD1 4.05Å; M556-L591 HydrophobicContact SD-CD1 3.91Å; M556-L591 HydrophobicContact SD-CG 4.29Å; L568-L591 HydrophobicContact CD1-CD2 3.94Å; L568-L591 HydrophobicContact CD2-CD1 4.34Å; L568-L591 HydrophobicContact CD2-CD2 4.47Å; I585-L591 HydrophobicContact CG2-CD1 4.31Å; N587-L591 PolarHBondContact O-N 3.49Å; N587-L591 VanDerWaalsContact O-N 3.1Å; L588-L591 PolarHBondContact O-N 2.85Å; L591-D593 VanDerWaalsContact C-N 3.27Å; L591-D593 PolarHBondContact O-N 2.99Å; L591-V605 HydrophobicContact CD2-CG1 3.36Å; L591-L609 HydrophobicContact CD2-CD1 3.88Å
592L92.2Very high90Very high0 Ų053.1 Ų53.10%026%0.259CS..THydrogen-bonded Turntrans-78.11.2173-66.7176.6000114.6L588 R590 Y594 Y601 S602 V605 L606 L609 M635 L638L588-L592 WeakPolarHBondContact O-CB 3.11Å; L588-L592 VanDerWaalsContact O-CG 3.29Å; L588-L592 WeakPolarHBondContact O-CG 3.26Å; L588-L592 PolarHBondContact O-N 3.39Å; R590-L592 VanDerWaalsContact C-N 3.26Å; R590-L592 PolarHBondContact O-N 3.06Å; L592-Y594 PolarHBondContact O-N 2.99Å; L592-Y601 CarbonylContact O-C 3.53Å; L592-Y601 WeakPolarHBondContact O-CA 3.13Å; L592-S602 PolarHBondContact O-N 2.8Å; L592-V605 HydrophobicContact CD2-CB 4.23Å; L592-V605 HydrophobicContact CD2-CG1 4.05Å; L592-L606 HydrophobicContact CD1-CD1 4.15Å; L592-L606 HydrophobicContact CD2-CB 3.74Å; L592-L606 HydrophobicContact CD2-CD1 4.27Å; L592-L609 HydrophobicContact CD2-CD1 4.01Å; L592-M635 HydrophobicContact CD1-CE 4.39Å; L592-L638 HydrophobicContact CD1-CD1 3.94Å
593D89.9Confident90Very high81 Ų8157 Ų5743%0.43328%0.279SS..THydrogen-bonded Turntrans52.233.9-174-59.6-46000113.7K564 E589 R590 L591 G595K564-D593 IonicContact NZ-OD1 2.63Å; K564-D593 PolarHBondContact NZ-OD1 2.87Å; K564-D593 IonicContact NZ-OD2 3.41Å; K564-D593 PolarHBondContact NZ-OD2 3.03Å; E589-D593 PolarHBondContact O-N 3.2Å; R590-D593 PolarHBondContact O-N 2.7Å; R590-D593 VanDerWaalsContact O-N 3.1Å; L591-D593 VanDerWaalsContact C-N 3.27Å; L591-D593 PolarHBondContact O-N 2.99Å; D593-G595 PolarHBondContact O-N 3.21Å
594Y90.9Very high90Very high32 Ų3261.1 Ų61.113%0.12530%0.301CS..  trans-66.9126.6-175.6179.2-96.5000111.8E589 L592 R596 P599 R600 V634E589-Y594 VanDerWaalsContact O-CB 3.3Å; E589-Y594 WeakPolarHBondContact O-CB 3.49Å; E589-Y594 PolarHBondContact O-N 2.8Å; L592-Y594 PolarHBondContact O-N 2.99Å; Y594-R596 HydrophobicContact CE1-CG 4.07Å; Y594-P599 HydrophobicContact CE2-CB 4.43Å; Y594-R600 CarbonylContact C-O 3.55Å; Y594-R600 WeakPolarHBondContact CA-O 3.5Å; Y594-V634 HydrophobicContact CD1-CG1 4.15Å; Y594-V634 HydrophobicContact CD2-CG1 3.65Å; Y594-V634 HydrophobicContact CE1-CB 4.44Å; Y594-V634 HydrophobicContact CE1-CG1 3.95Å; Y594-V634 HydrophobicContact CE1-CG2 3.71Å; Y594-V634 HydrophobicContact CE2-CB 4.49Å; Y594-V634 HydrophobicContact CE2-CG1 3.4Å; Y594-V634 HydrophobicContact CE2-CG2 4.27Å; Y594-V634 HydrophobicContact CG-CG1 4.01Å; Y594-V634 WeakPolarHBondContact OH-CG2 3.35Å
595G88.2Confident90Very high28 Ų2861.1 Ų61.129%0.28930%0.301SS..BIsolated β-bridgetrans-120.7130.617400000112D593 I597 R600D593-G595 PolarHBondContact O-N 3.21Å; G595-I597 VanDerWaalsContact C-N 3.25Å; G595-I597 PolarHBondContact O-N 3.12Å; G595-R600 PolarHBondContact N-O 3.04Å; G595-R600 PolarHBondContact O-N 2.94Å
596R82.5Confident89.9Confident185 Ų18561.4 Ų61.470%0.69830%0.302SS*.THydrogen-bonded Turntrans-63.7-26.5179.9-67.3-177.8177.9179.1-1.9113.9Y594 G598Y594-R596 HydrophobicContact CE1-CG 4.07Å; R596-G598 PolarHBondContact O-N 3.12Å
597I85.3Confident90Very high145 Ų14565.6 Ų65.674%0.74432%0.322SS*.THydrogen-bonded Turntrans-88.7106.8-179.8-57.2174.5000109G595G595-I597 VanDerWaalsContact C-N 3.25Å; G595-I597 PolarHBondContact O-N 3.12Å
598G76.3Confident90Very high56 Ų5664 Ų6458%0.57731%0.314SS*.THydrogen-bonded Turntrans8041.7174.600000114.7R596 R600R596-G598 PolarHBondContact O-N 3.12Å; G598-R600 VanDerWaalsContact C-N 3.3Å; G598-R600 WeakPolarHBondContact O-CG 3.43Å; G598-R600 PolarHBondContact O-N 2.9Å
599P78.8Confident90Very high87 Ų8764 Ų6457%0.56531%0.314SS*.THydrogen-bonded Turntrans-9.478.8-152.617.7-35.7000114.8Y594Y594-P599 HydrophobicContact CE2-CB 4.43Å
600R89.3Confident90.1Very high181 Ų18164.7 Ų64.768%0.68332%0.318SS*.BIsolated β-bridgetrans-91.5133.5177.3-72.3-174.2-82.6-171.8-3.5109.3Y594 G595 G598Y594-R600 CarbonylContact C-O 3.55Å; Y594-R600 WeakPolarHBondContact CA-O 3.5Å; G595-R600 PolarHBondContact N-O 3.04Å; G595-R600 PolarHBondContact O-N 2.94Å; G598-R600 VanDerWaalsContact C-N 3.3Å; G598-R600 WeakPolarHBondContact O-CG 3.43Å; G598-R600 PolarHBondContact O-N 2.9Å
601Y91.6Very high90.1Very high95 Ų9561.4 Ų61.437%0.37332%0.316SS..  trans-154.5160.7174.959.6-88.5000109.6L592 N603 L606 L638L592-Y601 CarbonylContact O-C 3.53Å; L592-Y601 WeakPolarHBondContact O-CA 3.13Å; Y601-N603 HydrophobicContact CD2-CB 4.4Å; Y601-N603 HydrophobicContact CE2-CB 3.96Å; Y601-N603 PolarHBondContact O-N 3.05Å; Y601-L606 HydrophobicContact CD2-CD2 4.25Å; Y601-L606 HydrophobicContact CE2-CD2 3.79Å; Y601-L638 HydrophobicContact CD1-CD2 4.04Å; Y601-L638 HydrophobicContact CD2-CD2 4.23Å; Y601-L638 HydrophobicContact CE1-CD2 3.73Å; Y601-L638 HydrophobicContact CE2-CD2 3.94Å; Y601-L638 HydrophobicContact CG-CD2 4.28Å
602S92.2Very high90.2Very high1 Ų161.7 Ų61.71%0.00732%0.317CS..  trans-8096.8173.8-174.60000110.7E561 L592 L604 V605 L606E561-S602 VanDerWaalsContact CG-OG 3.26Å; E561-S602 WeakPolarHBondContact CG-OG 3.41Å; E561-S602 WeakPolarHBondContact OE1-CA 3.47Å; E561-S602 VanDerWaalsContact OE1-CB 3.22Å; E561-S602 WeakPolarHBondContact OE1-CB 3.34Å; E561-S602 PolarHBondContact OE1-OG 2.87Å; L592-S602 PolarHBondContact O-N 2.8Å; S602-L604 VanDerWaalsContact C-N 3.26Å; S602-L604 PolarHBondContact O-N 3.1Å; S602-V605 PolarHBondContact O-N 3.03Å; S602-V605 VanDerWaalsContact OG-CG2 3.31Å; S602-V605 WeakPolarHBondContact OG-CG2 3.39Å; S602-L606 PolarHBondContact O-N 2.86Å; S602-L606 VanDerWaalsContact O-N 3.1Å
603N92.4Very high90.2Very high80 Ų8061.7 Ų61.743%0.42832%0.317SS..Hα-helixtrans-62.7-34.4177.8-175.840.8000111.9Y601 V605 L606 Q607Y601-N603 HydrophobicContact CD2-CB 4.4Å; Y601-N603 HydrophobicContact CE2-CB 3.96Å; Y601-N603 PolarHBondContact O-N 3.05Å; N603-V605 VanDerWaalsContact C-N 3.32Å; N603-V605 PolarHBondContact O-N 3.42Å; N603-L606 WeakPolarHBondContact O-CB 3.46Å; N603-L606 PolarHBondContact O-N 2.91Å; N603-Q607 WeakPolarHBondContact O-CG 3.29Å; N603-Q607 PolarHBondContact O-N 3.33Å; N603-Q607 PolarHBondContact OD1-NE2 3.42Å
604L94.4Very high90.2Very high88 Ų8863.9 Ų63.946%0.46132%0.323SS..Hα-helixtrans-60.6-43.7178.7-175.965.1000111.6E561 S602 A608E561-L604 HydrophobicContact CB-CB 4.34Å; E561-L604 HydrophobicContact CB-CD2 3.95Å; S602-L604 VanDerWaalsContact C-N 3.26Å; S602-L604 PolarHBondContact O-N 3.1Å; L604-A608 WeakPolarHBondContact O-CB 3.41Å; L604-A608 PolarHBondContact O-N 2.56Å; L604-A608 VanDerWaalsContact O-N 3.11Å
605V94.7Very high90.2Very high0 Ų066.9 Ų66.90%034%0.337CS..Hα-helixtrans-69.6-39.3178.3-179.60000110.9E561 K564 L568 L591 L592 S602 N603 A608 L609E561-V605 HydrophobicContact CB-CG2 4.37Å; K564-V605 HydrophobicContact CB-CG2 3.97Å; K564-V605 HydrophobicContact CD-CG2 4.31Å; L568-V605 HydrophobicContact CD1-CG1 3.94Å; L591-V605 HydrophobicContact CD2-CG1 3.36Å; L592-V605 HydrophobicContact CD2-CB 4.23Å; L592-V605 HydrophobicContact CD2-CG1 4.05Å; S602-V605 PolarHBondContact O-N 3.03Å; S602-V605 VanDerWaalsContact OG-CG2 3.31Å; S602-V605 WeakPolarHBondContact OG-CG2 3.39Å; N603-V605 VanDerWaalsContact C-N 3.32Å; N603-V605 PolarHBondContact O-N 3.42Å; V605-A608 PolarHBondContact O-N 2.75Å; V605-L609 HydrophobicContact CG1-CD1 4.31Å; V605-L609 WeakPolarHBondContact O-CG 3.28Å; V605-L609 PolarHBondContact O-N 2.96Å
606L94Very high90.3Very high5 Ų570.2 Ų70.23%0.02635%0.345CS..Hα-helixtrans-58.1-52.2174.5178.763000112.1L592 Y601 S602 N603 A608 L609 L610 L638 I640L592-L606 HydrophobicContact CD1-CD1 4.15Å; L592-L606 HydrophobicContact CD2-CB 3.74Å; L592-L606 HydrophobicContact CD2-CD1 4.27Å; Y601-L606 HydrophobicContact CD2-CD2 4.25Å; Y601-L606 HydrophobicContact CE2-CD2 3.79Å; S602-L606 PolarHBondContact O-N 2.86Å; S602-L606 VanDerWaalsContact O-N 3.1Å; N603-L606 WeakPolarHBondContact O-CB 3.46Å; N603-L606 PolarHBondContact O-N 2.91Å; L606-A608 VanDerWaalsContact C-N 3.28Å; L606-A608 PolarHBondContact O-N 2.88Å; L606-L609 PolarHBondContact O-N 2.64Å; L606-L610 HydrophobicContact CD1-CD1 4.4Å; L606-L610 HydrophobicContact CD1-CG 4.43Å; L606-L610 HydrophobicContact CG-CD1 4.19Å; L606-L610 WeakPolarHBondContact O-CG 3.45Å; L606-L610 PolarHBondContact O-N 2.82Å; L606-L638 HydrophobicContact CD1-CB 4.32Å; L606-L638 HydrophobicContact CD2-CB 4.22Å; L606-L638 HydrophobicContact CD2-CD2 4.04Å; L606-I640 HydrophobicContact CD1-CB 4.28Å; L606-I640 HydrophobicContact CD1-CD1 4.09Å; L606-I640 HydrophobicContact CD1-CG1 4.49Å
607Q94.1Very high90.6Very high97 Ų9762.2 Ų62.245%0.45332%0.317SS..Hα-helixtrans-62-38.5179.6-65.2-56.9-37.100111.5N603 V611N603-Q607 WeakPolarHBondContact O-CG 3.29Å; N603-Q607 PolarHBondContact O-N 3.33Å; N603-Q607 PolarHBondContact OD1-NE2 3.42Å; Q607-V611 WeakPolarHBondContact O-CG2 3.23Å; Q607-V611 PolarHBondContact O-N 3.27Å
608A93.6Very high90.7Very high7 Ų758.5 Ų58.56%0.05830%0.302CS..Hα-helixtrans-62-46.6174.700000111.9L604 V605 L606 V611 L612L604-A608 WeakPolarHBondContact O-CB 3.41Å; L604-A608 PolarHBondContact O-N 2.56Å; L604-A608 VanDerWaalsContact O-N 3.11Å; V605-A608 PolarHBondContact O-N 2.75Å; L606-A608 VanDerWaalsContact C-N 3.28Å; L606-A608 PolarHBondContact O-N 2.88Å; A608-V611 PolarHBondContact O-N 3.02Å; A608-L612 WeakPolarHBondContact O-CB 2.68Å; A608-L612 WeakPolarHBondContact O-CG 3.25Å; A608-L612 PolarHBondContact O-N 2.96Å
609L93.8Very high90.9Very high0 Ų065.1 Ų65.10%032%0.315CS..Hα-helixtrans-62.3-44.9177.7-75.9171.7000112.5L568 I585 L588 L591 L592 V605 L606 V611 L612 I613 I640L568-L609 HydrophobicContact CD1-CD2 3.73Å; L568-L609 HydrophobicContact CD1-CG 3.92Å; L568-L609 HydrophobicContact CD2-CD2 3.95Å; L568-L609 HydrophobicContact CG-CD2 4.48Å; I585-L609 HydrophobicContact CD1-CD2 4.1Å; L588-L609 HydrophobicContact CD2-CD1 4.03Å; L591-L609 HydrophobicContact CD2-CD1 3.88Å; L592-L609 HydrophobicContact CD2-CD1 4.01Å; V605-L609 HydrophobicContact CG1-CD1 4.31Å; V605-L609 WeakPolarHBondContact O-CG 3.28Å; V605-L609 PolarHBondContact O-N 2.96Å; L606-L609 PolarHBondContact O-N 2.64Å; L609-V611 VanDerWaalsContact C-N 3.26Å; L609-V611 PolarHBondContact O-N 2.87Å; L609-L612 PolarHBondContact O-N 3.19Å; L609-I613 HydrophobicContact CB-CD1 4.27Å; L609-I613 WeakPolarHBondContact O-CB 3.4Å; L609-I613 WeakPolarHBondContact O-CD1 3.17Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.92Å; L609-I640 HydrophobicContact CB-CD1 4.41Å; L609-I640 HydrophobicContact CD1-CD1 4.49Å
610L93.2Very high91.1Very high26 Ų2668.5 Ų68.514%0.13633%0.328CS..Hα-helixtrans-56.4-41.1178-76.5171.4000112.2L606 K614 I640 A643L606-L610 HydrophobicContact CD1-CD1 4.4Å; L606-L610 HydrophobicContact CD1-CG 4.43Å; L606-L610 HydrophobicContact CG-CD1 4.19Å; L606-L610 WeakPolarHBondContact O-CG 3.45Å; L606-L610 PolarHBondContact O-N 2.82Å; L610-K614 WeakPolarHBondContact O-CG 3.45Å; L610-I640 HydrophobicContact CD2-CB 4.19Å; L610-I640 HydrophobicContact CD2-CG1 3.94Å; L610-A643 HydrophobicContact CD2-CB 4.08Å
611V93.5Very high90.9Very high94 Ų9462.3 Ų62.357%0.5731%0.306SS*.Hα-helixtrans-70.6-46.4176.2174.20000111Q607 A608 L609 K614 K615Q607-V611 WeakPolarHBondContact O-CG2 3.23Å; Q607-V611 PolarHBondContact O-N 3.27Å; A608-V611 PolarHBondContact O-N 3.02Å; L609-V611 VanDerWaalsContact C-N 3.26Å; L609-V611 PolarHBondContact O-N 2.87Å; V611-K614 PolarHBondContact O-N 3.17Å; V611-K615 WeakPolarHBondContact O-CB 3.42Å; V611-K615 PolarHBondContact O-N 3.12Å
612L93.5Very high90.8Very high8 Ų860.6 Ų60.64%0.04230%0.299CS..Hα-helixtrans-66.6-40.5-175.6-71.5171.6000112.8L568 R569 F572 A608 L609 K614 K615L568-L612 HydrophobicContact CB-CD1 4.03Å; R569-L612 HydrophobicContact CG-CD1 4.39Å; F572-L612 HydrophobicContact CB-CD2 4.15Å; F572-L612 HydrophobicContact CD1-CB 4.18Å; F572-L612 HydrophobicContact CD1-CD2 4.46Å; F572-L612 HydrophobicContact CD2-CB 3.98Å; F572-L612 HydrophobicContact CD2-CD1 3.77Å; F572-L612 HydrophobicContact CD2-CD2 4.22Å; F572-L612 HydrophobicContact CD2-CG 4.21Å; F572-L612 HydrophobicContact CE1-CB 3.93Å; F572-L612 WeakPolarHBondContact CE1-O 3.27Å; F572-L612 HydrophobicContact CE2-CB 3.7Å; F572-L612 HydrophobicContact CE2-CD1 3.95Å; F572-L612 HydrophobicContact CE2-CG 4.34Å; F572-L612 HydrophobicContact CG-CB 4.21Å; F572-L612 HydrophobicContact CG-CD1 4.42Å; F572-L612 HydrophobicContact CG-CD2 4.04Å; F572-L612 HydrophobicContact CG-CG 4.45Å; F572-L612 HydrophobicContact CZ-CB 3.68Å; A608-L612 WeakPolarHBondContact O-CB 2.68Å; A608-L612 WeakPolarHBondContact O-CG 3.25Å; A608-L612 PolarHBondContact O-N 2.96Å; L609-L612 PolarHBondContact O-N 3.19Å; L612-K614 VanDerWaalsContact C-N 3.29Å; L612-K614 PolarHBondContact O-N 3.31Å; L612-K615 PolarHBondContact O-N 2.8Å
613I92.4Very high90.9Very high0 Ų060.6 Ų60.60%030%0.299CS..Hα-helixtrans-66.8-30.7178.8-66.5162.2000111.6L519 L609 I640 A643 F644L519-I613 WeakPolarHBondContact CD2-O 3.12Å; L609-I613 HydrophobicContact CB-CD1 4.27Å; L609-I613 WeakPolarHBondContact O-CB 3.4Å; L609-I613 WeakPolarHBondContact O-CD1 3.17Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.92Å; I613-I640 HydrophobicContact CD1-CD1 4.38Å; I613-A643 HydrophobicContact CG2-CB 4.2Å; I613-A643 WeakPolarHBondContact CG2-O 3.07Å; I613-F644 HydrophobicContact CD1-CE1 4.08Å; I613-F644 HydrophobicContact CD1-CE2 4.02Å; I613-F644 HydrophobicContact CD1-CZ 3.52Å; I613-F644 HydrophobicContact CG1-CZ 4.44Å; I613-F644 HydrophobicContact CG2-CD1 4.36Å; I613-F644 HydrophobicContact CG2-CE1 4.27Å
614K90.6Very high91Very high126 Ų12656.9 Ų56.955%0.54828%0.279SS..Hα-helixtrans-89.9-16.4178.7-69.6-178.7178.5176.70113.7L610 V611 L612 Q616 A643L610-K614 WeakPolarHBondContact O-CG 3.45Å; V611-K614 PolarHBondContact O-N 3.17Å; L612-K614 VanDerWaalsContact C-N 3.29Å; L612-K614 PolarHBondContact O-N 3.31Å; K614-Q616 PolarHBondContact O-N 3.14Å; K614-A643 HydrophobicContact CG-CB 4.35Å
615K90.7Very high91Very high96 Ų9652.7 Ų52.742%0.41726%0.257SS..PPolyproline II helixtrans-70117.1-176.2-176.4-179.1176.1-170.20110.4Y576 V611 L612Y576-K615 HydrophobicContact CE2-CD 4.38Å; Y576-K615 PolarHBondContact OH-O 2.96Å; V611-K615 WeakPolarHBondContact O-CB 3.42Å; V611-K615 PolarHBondContact O-N 3.12Å; L612-K615 PolarHBondContact O-N 2.8Å
616Q89.9Confident91.1Very high98 Ų9852.9 Ų52.946%0.45826%0.258SS..PPolyproline II helixtrans-66.3137.7176-66.2-62-27.600111.1R517 K614R517-Q616 PolarHBondContact O-OE1 3.25Å; K614-Q616 PolarHBondContact O-N 3.14Å
617P89.5Confident91.2Very high17 Ų1752.6 Ų52.611%0.1126%0.257CS..PPolyproline II helixtrans-65.6162.4174.527.8-34000111.5G518 Y576 K621G518-P617 WeakPolarHBondContact O-CG 3.32Å; Y576-P617 HydrophobicContact CD1-CB 3.81Å; Y576-P617 HydrophobicContact CE1-CB 3.79Å; P617-K621 HydrophobicContact CB-CB 4.31Å; P617-K621 VanDerWaalsContact CG-O 3.28Å; P617-K621 WeakPolarHBondContact CG-O 3.28Å
618P85.8Confident91.2Very high67 Ų6748 Ų4844%0.43524%0.235SC..PPolyproline II helixtrans-56.1160.5171.8-23.333.9000112.6N620 K621P618-N620 PolarHBondContact O-N 2.62Å; P618-K621 HydrophobicContact CB-CD 4.45Å; P618-K621 PolarHBondContact O-N 2.82Å; P618-K621 VanDerWaalsContact O-N 3.14Å
619K81.4Confident91.3Very high195 Ų19547.7 Ų47.785%0.84823%0.233SC*.THydrogen-bonded Turntrans-51.6139.9177.7-65.4-174.6178.9-176.50110.9K621K619-K621 PolarHBondContact O-N 2.89Å
620N81.6Confident91.2Very high158 Ų15848.9 Ų48.985%0.84524%0.241SC*.THydrogen-bonded Turntrans66.67.4-179.5-54-18.1000116.2P618P618-N620 PolarHBondContact O-N 2.62Å
621K86Confident91.1Very high50 Ų5049.6 Ų49.622%0.21724%0.244CC..  trans-111143.5175.3-54-163.2-176.6-162.30110.4Y576 K577 P579 P617 P618 K619Y576-K621 WeakPolarHBondContact O-CD 3.49Å; Y576-K621 VanDerWaalsContact O-CE 3.23Å; Y576-K621 WeakPolarHBondContact O-CE 3.41Å; Y576-K621 PolarHBondContact O-NZ 3.1Å; K577-K621 PolarHBondContact O-NZ 3.17Å; P579-K621 WeakPolarHBondContact O-CA 3.04Å; P617-K621 HydrophobicContact CB-CB 4.31Å; P617-K621 VanDerWaalsContact CG-O 3.28Å; P617-K621 WeakPolarHBondContact CG-O 3.28Å; P618-K621 HydrophobicContact CB-CD 4.45Å; P618-K621 PolarHBondContact O-N 2.82Å; P618-K621 VanDerWaalsContact O-N 3.14Å; K619-K621 PolarHBondContact O-N 2.89Å
622R90.3Very high91Very high60 Ų6050.8 Ų50.823%0.22624%0.238CC..EExtended strand (participates in β ladder)trans-129135.7-178.2-44.1-175.3-171.8139.75.3111.3A511 K512 G518 P579 L580 S581A511-R622 WeakPolarHBondContact O-CD 3.43Å; K512-R622 VanDerWaalsContact C-NH1 3.27Å; K512-R622 PolarHBondContact O-NH1 3.05Å; G518-R622 CarbonylContact O-C 3.54Å; G518-R622 WeakPolarHBondContact O-CA 3.32Å; P579-R622 PolarHBondContact O-N 2.61Å; L580-R622 WeakPolarHBondContact CA-O 3.14Å; L580-R622 HydrophobicContact CD2-CB 3.78Å; L580-R622 HydrophobicContact CD2-CG 4.01Å; S581-R622 PolarHBondContact N-O 3.43Å; S581-R622 PolarHBondContact OG-O 2.91Å
623L93.1Very high90.8Very high1 Ų154.9 Ų54.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-128.6126.6-174.2177.362.3000109.8G518 L519 V520 F572 A575 Y576 S581 L583 V625G518-L623 PolarHBondContact O-N 3.06Å; L519-L623 WeakPolarHBondContact CA-O 3.44Å; L519-L623 HydrophobicContact CD1-CB 4.13Å; L519-L623 HydrophobicContact CD1-CD2 3.99Å; L519-L623 HydrophobicContact CD1-CG 4.08Å; V520-L623 PolarHBondContact N-O 2.82Å; F572-L623 HydrophobicContact CD1-CD2 3.96Å; F572-L623 HydrophobicContact CE1-CD2 4.05Å; A575-L623 HydrophobicContact CB-CD1 3.9Å; Y576-L623 HydrophobicContact CD1-CD2 4.48Å; Y576-L623 HydrophobicContact CE1-CD2 3.76Å; S581-L623 WeakPolarHBondContact O-CA 3.23Å; S581-L623 WeakPolarHBondContact OG-CD1 3.32Å; L583-L623 HydrophobicContact CB-CD1 4.17Å; L623-V625 HydrophobicContact CD1-CG2 4.4Å; L623-V625 HydrophobicContact CD2-CG2 3.87Å; L623-V625 HydrophobicContact CG-CG2 3.86Å
624L94.5Very high90.8Very high1 Ų155.4 Ų55.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-105.9115.1167.1174.761.4000109V508 A511 V520 V522 F545 S581 I582 L583 I626V508-L624 HydrophobicContact CG2-CD2 3.78Å; A511-L624 HydrophobicContact CB-CB 4.01Å; V520-L624 HydrophobicContact CB-CD1 3.8Å; V520-L624 HydrophobicContact CG1-CD1 3.67Å; V520-L624 CarbonylContact O-C 3.47Å; V520-L624 WeakPolarHBondContact O-CA 3.32Å; V522-L624 HydrophobicContact CG2-CD1 3.87Å; F545-L624 HydrophobicContact CE2-CB 4.35Å; S581-L624 PolarHBondContact O-N 2.92Å; I582-L624 CarbonylContact C-O 3.59Å; I582-L624 VanDerWaalsContact CA-O 3.27Å; I582-L624 WeakPolarHBondContact CA-O 3.49Å; I582-L624 HydrophobicContact CD1-CD2 3.96Å; I582-L624 HydrophobicContact CG1-CB 4.21Å; I582-L624 HydrophobicContact CG1-CD2 4.28Å; L583-L624 PolarHBondContact N-O 3.18Å; L624-I626 HydrophobicContact CD1-CG1 4.41Å; L624-I626 HydrophobicContact CD2-CD1 4.22Å; L624-I626 HydrophobicContact CD2-CG1 4.39Å; L624-I626 HydrophobicContact CG-CD1 4.41Å; L624-I626 HydrophobicContact CG-CG1 4.05Å
625V95.4Very high90.8Very high0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-98.8119.9174.8-176.30000108.3L519 V520 S521 V522 F572 L583 I585 L623L519-V625 HydrophobicContact CD1-CG2 4.16Å; V520-V625 PolarHBondContact O-N 3.5Å; S521-V625 CarbonylContact C-O 3.59Å; S521-V625 WeakPolarHBondContact CA-O 3.45Å; V522-V625 PolarHBondContact N-O 3.3Å; F572-V625 HydrophobicContact CE1-CG2 4.07Å; F572-V625 HydrophobicContact CZ-CG2 4.38Å; L583-V625 WeakPolarHBondContact O-CA 3.38Å; I585-V625 HydrophobicContact CD1-CG1 3.98Å; I585-V625 HydrophobicContact CG1-CG1 4.48Å; L623-V625 HydrophobicContact CD1-CG2 4.4Å; L623-V625 HydrophobicContact CD2-CG2 3.87Å; L623-V625 HydrophobicContact CG-CG2 3.86Å
626I95.5Very high90.9Very high4 Ų450.4 Ų50.42%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-111.9120.5173-54.3176.6000107.1V522 L524 A536 I539 I582 L583 L584 I585 L624V522-I626 CarbonylContact O-C 3.54Å; V522-I626 WeakPolarHBondContact O-CA 3.36Å; L524-I626 HydrophobicContact CD1-CG2 3.64Å; L524-I626 HydrophobicContact CG-CG2 4.36Å; A536-I626 HydrophobicContact CB-CG2 3.82Å; I539-I626 HydrophobicContact CG2-CD1 4.1Å; I582-I626 HydrophobicContact CG2-CD1 4.11Å; I582-I626 HydrophobicContact CG2-CG1 4.39Å; L583-I626 PolarHBondContact O-N 2.83Å; L584-I626 CarbonylContact C-O 3.59Å; L584-I626 VanDerWaalsContact CA-O 3.31Å; L584-I626 WeakPolarHBondContact CA-O 3.46Å; L584-I626 HydrophobicContact CD1-CB 4.09Å; L584-I626 HydrophobicContact CD1-CG2 4.03Å; I585-I626 PolarHBondContact N-O 2.68Å; L624-I626 HydrophobicContact CD1-CG1 4.41Å; L624-I626 HydrophobicContact CD2-CD1 4.22Å; L624-I626 HydrophobicContact CD2-CG1 4.39Å; L624-I626 HydrophobicContact CG-CD1 4.41Å; L624-I626 HydrophobicContact CG-CG1 4.05Å
627A95.9Very high90.9Very high0 Ų052.4 Ų52.40%026%0.256CS..EExtended strand (participates in β ladder)trans-115.5148.7175.400000110.9V522 L523 L524 I585 L588 F644V522-A627 PolarHBondContact O-N 3.32Å; L523-A627 CarbonylContact C-O 3.29Å; L523-A627 WeakPolarHBondContact CA-O 3.3Å; L523-A627 HydrophobicContact CD1-CB 3.96Å; L524-A627 PolarHBondContact N-O 2.83Å; I585-A627 HydrophobicContact CB-CB 4.28Å; I585-A627 CarbonylContact O-C 3.6Å; I585-A627 VanDerWaalsContact O-CA 3.24Å; I585-A627 WeakPolarHBondContact O-CA 3.43Å; L588-A627 HydrophobicContact CD1-CB 3.73Å; L588-A627 HydrophobicContact CD2-CB 4.33Å; L588-A627 HydrophobicContact CG-CB 4.04Å; A627-F644 HydrophobicContact CB-CE1 3.56Å; A627-F644 HydrophobicContact CB-CZ 3.48Å; A627-F644 VanDerWaalsContact CB-CZ 3.48Å
628T95.7Very high90.9Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-116.5142.6176.567.50000111.1L524 K532 A536 L584 I585 D586 N587 L588L524-T628 HydrophobicContact CB-CG2 4.25Å; L524-T628 HydrophobicContact CD1-CG2 4.42Å; L524-T628 WeakPolarHBondContact O-CA 3.32Å; K532-T628 HydrophobicContact CB-CG2 4.26Å; A536-T628 HydrophobicContact CB-CG2 3.92Å; L584-T628 HydrophobicContact CD1-CG2 4.43Å; I585-T628 PolarHBondContact O-N 3.36Å; D586-T628 WeakPolarHBondContact CA-OG1 3.21Å; D586-T628 PolarHBondContact OD1-OG1 2.88Å; N587-T628 PolarHBondContact N-O 3.31Å; N587-T628 PolarHBondContact N-OG1 3.49Å; L588-T628 PolarHBondContact N-O 2.96Å
629T95Very high91.1Very high0 Ų056.3 Ų56.30%027%0.267CS..EExtended strand (participates in β ladder)trans-145.8143.4173.4-174.20000112.5L523 L524 E525 G526 K532 E589 Q631 M635L523-T629 HydrophobicContact CD1-CG2 3.8Å; L523-T629 HydrophobicContact CD2-CG2 4.16Å; L523-T629 HydrophobicContact CG-CG2 4.09Å; L524-T629 PolarHBondContact O-N 3.43Å; E525-T629 WeakPolarHBondContact CA-O 3.48Å; E525-T629 HydrophobicContact CB-CG2 3.93Å; G526-T629 PolarHBondContact N-O 2.86Å; K532-T629 WeakPolarHBondContact CD-O 3.42Å; K532-T629 WeakPolarHBondContact CE-O 3.46Å; E589-T629 VanDerWaalsContact OE2-CA 3.26Å; E589-T629 WeakPolarHBondContact OE2-CA 3.48Å; E589-T629 WeakPolarHBondContact OE2-CB 3.31Å; E589-T629 PolarHBondContact OE2-OG1 3.31Å; T629-Q631 PolarHBondContact OG1-N 3.19Å; T629-M635 HydrophobicContact CG2-CG 3.99Å
630S92.8Very high91.6Very high26 Ų2647 Ų4718%0.18223%0.227CC..SBendtrans-96.2-2.8171.6-50.10000114.2G526 K532 E589G526-S630 VanDerWaalsContact O-CA 3.27Å; G526-S630 WeakPolarHBondContact O-CA 3.24Å; K532-S630 WeakPolarHBondContact CE-OG 3.29Å; K532-S630 PolarHBondContact NZ-OG 2.74Å; E589-S630 WeakPolarHBondContact OE1-CA 3.45Å; E589-S630 WeakPolarHBondContact OE1-CB 3.28Å; E589-S630 PolarHBondContact OE1-N 3.48Å; E589-S630 PolarHBondContact OE1-OG 2.9Å; E589-S630 PolarHBondContact OE2-N 2.69Å
631Q90Very high92Very high40 Ų4041 Ų4119%0.18719%0.194CC..  trans-132.976.6-171.7-63-1735.600111.5T629 V633 V634 M635T629-Q631 PolarHBondContact OG1-N 3.19Å; Q631-V633 VanDerWaalsContact C-N 3.34Å; Q631-V633 PolarHBondContact O-N 3.37Å; Q631-V634 HydrophobicContact CB-CB 4.13Å; Q631-V634 HydrophobicContact CB-CG2 4.03Å; Q631-V634 PolarHBondContact O-N 3.1Å; Q631-M635 WeakPolarHBondContact O-CG 3.44Å; Q631-M635 PolarHBondContact O-N 3.13Å
632R90.6Very high92.3Very high120 Ų12043.3 Ų43.345%0.45321%0.214SC..Hα-helixtrans-51.3-49.9178.5176.1-175.6-176135.9-3.6112.9E525 V634 M635 E636 L641E525-R632 VanDerWaalsContact CD-NH1 3.33Å; E525-R632 WeakPolarHBondContact OE1-CD 3.45Å; E525-R632 IonicContact OE1-CZ 3.32Å; E525-R632 IonicContact OE1-NE 3.65Å; E525-R632 IonicContact OE1-NH1 3.85Å; E525-R632 PolarHBondContact OE1-NH1 3.1Å; E525-R632 WeakPolarHBondContact OE2-CB 3.43Å; E525-R632 WeakPolarHBondContact OE2-CD 3.49Å; E525-R632 WeakPolarHBondContact OE2-CG 3.44Å; E525-R632 IonicContact OE2-CZ 2.79Å; E525-R632 IonicContact OE2-NE 3.64Å; E525-R632 PolarHBondContact OE2-NE 3.2Å; E525-R632 IonicContact OE2-NH1 2.7Å; E525-R632 PolarHBondContact OE2-NH1 2.89Å; R632-V634 VanDerWaalsContact C-N 3.25Å; R632-V634 PolarHBondContact O-N 3.33Å; R632-M635 WeakPolarHBondContact O-CB 3.43Å; R632-M635 PolarHBondContact O-N 2.8Å; R632-E636 PolarHBondContact O-N 2.88Å; R632-L641 HydrophobicContact CG-CD1 4.24Å
633V91.1Very high92.2Very high94 Ų9440.8 Ų40.857%0.5721%0.207SC*.Hα-helixtrans-56.4-42.2-175.2-177.70000111.2Q631 E636 E637Q631-V633 VanDerWaalsContact C-N 3.34Å; Q631-V633 PolarHBondContact O-N 3.37Å; V633-E636 WeakPolarHBondContact O-CB 3.28Å; V633-E636 PolarHBondContact O-N 3.45Å; V633-E637 WeakPolarHBondContact O-CG 3.39Å; V633-E637 PolarHBondContact O-N 3.38Å
634V90.9Very high92.2Very high11 Ų1141.4 Ų41.47%0.06721%0.209CC..Hα-helixtrans-67.8-39.7178.4179.10000111.3Y594 Q631 R632 E636 E637 L638Y594-V634 HydrophobicContact CD1-CG1 4.15Å; Y594-V634 HydrophobicContact CD2-CG1 3.65Å; Y594-V634 HydrophobicContact CE1-CB 4.44Å; Y594-V634 HydrophobicContact CE1-CG1 3.95Å; Y594-V634 HydrophobicContact CE1-CG2 3.71Å; Y594-V634 HydrophobicContact CE2-CB 4.49Å; Y594-V634 HydrophobicContact CE2-CG1 3.4Å; Y594-V634 HydrophobicContact CE2-CG2 4.27Å; Y594-V634 HydrophobicContact CG-CG1 4.01Å; Y594-V634 WeakPolarHBondContact OH-CG2 3.35Å; Q631-V634 HydrophobicContact CB-CB 4.13Å; Q631-V634 HydrophobicContact CB-CG2 4.03Å; Q631-V634 PolarHBondContact O-N 3.1Å; R632-V634 VanDerWaalsContact C-N 3.25Å; R632-V634 PolarHBondContact O-N 3.33Å; V634-E636 VanDerWaalsContact C-N 3.26Å; V634-E636 PolarHBondContact O-N 3.38Å; V634-E637 PolarHBondContact O-N 2.92Å; V634-L638 HydrophobicContact CG1-CD1 3.88Å; V634-L638 HydrophobicContact CG1-CG 4.24Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 VanDerWaalsContact O-CG 3.23Å; V634-L638 WeakPolarHBondContact O-CG 3.4Å; V634-L638 PolarHBondContact O-N 3.01Å
635M91.4Very high92Very high0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-67.4-28.8177.3-61.6-60127.200112.5L588 E589 L592 T629 Q631 R632 I640 L641L588-M635 HydrophobicContact CB-CE 4.41Å; L588-M635 HydrophobicContact CB-SD 4.15Å; L588-M635 HydrophobicContact CD1-SD 4.31Å; E589-M635 HydrophobicContact CB-CE 3.92Å; L592-M635 HydrophobicContact CD1-CE 4.39Å; T629-M635 HydrophobicContact CG2-CG 3.99Å; Q631-M635 WeakPolarHBondContact O-CG 3.44Å; Q631-M635 PolarHBondContact O-N 3.13Å; R632-M635 WeakPolarHBondContact O-CB 3.43Å; R632-M635 PolarHBondContact O-N 2.8Å; M635-I640 HydrophobicContact CB-CG2 3.66Å; M635-I640 HydrophobicContact CG-CG2 4.11Å; M635-I640 WeakPolarHBondContact O-CG2 3.33Å; M635-I640 PolarHBondContact O-N 3.39Å; M635-I640 VanDerWaalsContact O-N 3.15Å; M635-I640 HydrophobicContact SD-CG2 3.52Å; M635-I640 VanDerWaalsContact SD-CG2 3.52Å; M635-L641 PolarHBondContact O-N 2.9Å
636E91.9Very high91.9Very high117 Ų11746.4 Ų46.455%0.54726%0.255SS..Hα-helixtrans-71.2-46.7172.5-171.5167.4-167.900111.1R632 V633 V634 L638 E639 L641R632-E636 PolarHBondContact O-N 2.88Å; V633-E636 WeakPolarHBondContact O-CB 3.28Å; V633-E636 PolarHBondContact O-N 3.45Å; V634-E636 VanDerWaalsContact C-N 3.26Å; V634-E636 PolarHBondContact O-N 3.38Å; E636-L638 VanDerWaalsContact C-N 3.31Å; E636-L638 PolarHBondContact O-N 2.92Å; E636-E639 PolarHBondContact O-N 3.47Å; E636-E639 VanDerWaalsContact O-N 3.09Å; E636-L641 HydrophobicContact CB-CD1 4.37Å
637E90.7Very high91.8Very high139 Ų13948.8 Ų48.865%0.6527%0.269SS*.Hα-helixtrans-62.6-33.7175.8-71.8174.2-177.500113.5V633 V634 E639V633-E637 WeakPolarHBondContact O-CG 3.39Å; V633-E637 PolarHBondContact O-N 3.38Å; V634-E637 PolarHBondContact O-N 2.92Å; E637-E639 PolarHBondContact O-N 2.82Å
638L90.4Very high91.7Very high19 Ų1949.7 Ų49.710%0.09927%0.274CS..THydrogen-bonded Turntrans-823.1176.8-66.1178.3000113.5L592 Y601 L606 V634 E636 I640L592-L638 HydrophobicContact CD1-CD1 3.94Å; Y601-L638 HydrophobicContact CD1-CD2 4.04Å; Y601-L638 HydrophobicContact CD2-CD2 4.23Å; Y601-L638 HydrophobicContact CE1-CD2 3.73Å; Y601-L638 HydrophobicContact CE2-CD2 3.94Å; Y601-L638 HydrophobicContact CG-CD2 4.28Å; L606-L638 HydrophobicContact CD1-CB 4.32Å; L606-L638 HydrophobicContact CD2-CB 4.22Å; L606-L638 HydrophobicContact CD2-CD2 4.04Å; V634-L638 HydrophobicContact CG1-CD1 3.88Å; V634-L638 HydrophobicContact CG1-CG 4.24Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 VanDerWaalsContact O-CG 3.23Å; V634-L638 WeakPolarHBondContact O-CG 3.4Å; V634-L638 PolarHBondContact O-N 3.01Å; E636-L638 VanDerWaalsContact C-N 3.31Å; E636-L638 PolarHBondContact O-N 2.92Å; L638-I640 PolarHBondContact O-N 2.79Å
639E89.6Confident91.6Very high147 Ų14754 Ų5469%0.68729%0.294SS*.THydrogen-bonded Turntrans54.824-178.2-57.5-175.4167.700114.4E636 E637 P642E636-E639 PolarHBondContact O-N 3.47Å; E636-E639 VanDerWaalsContact O-N 3.09Å; E637-E639 PolarHBondContact O-N 2.82Å; E639-P642 WeakPolarHBondContact O-CD 3.43Å
640I91.7Very high91.4Very high0 Ų054.2 Ų54.20%030%0.295CS..  trans-86.2-28.4177.1-159.7176.2000111.8L588 L606 L609 L610 I613 M635 L638 A643 F644L588-I640 HydrophobicContact CD1-CD1 4.38Å; L606-I640 HydrophobicContact CD1-CB 4.28Å; L606-I640 HydrophobicContact CD1-CD1 4.09Å; L606-I640 HydrophobicContact CD1-CG1 4.49Å; L609-I640 HydrophobicContact CB-CD1 4.41Å; L609-I640 HydrophobicContact CD1-CD1 4.49Å; L610-I640 HydrophobicContact CD2-CB 4.19Å; L610-I640 HydrophobicContact CD2-CG1 3.94Å; I613-I640 HydrophobicContact CD1-CD1 4.38Å; M635-I640 HydrophobicContact CB-CG2 3.66Å; M635-I640 HydrophobicContact CG-CG2 4.11Å; M635-I640 WeakPolarHBondContact O-CG2 3.33Å; M635-I640 PolarHBondContact O-N 3.39Å; M635-I640 VanDerWaalsContact O-N 3.15Å; M635-I640 HydrophobicContact SD-CG2 3.52Å; M635-I640 VanDerWaalsContact SD-CG2 3.52Å; L638-I640 PolarHBondContact O-N 2.79Å; I640-A643 VanDerWaalsContact O-CB 3.25Å; I640-A643 WeakPolarHBondContact O-CB 3.16Å; I640-A643 PolarHBondContact O-N 3.34Å; I640-F644 HydrophobicContact CD1-CE2 4.43Å; I640-F644 HydrophobicContact CG1-CE2 4.07Å; I640-F644 WeakPolarHBondContact O-CD2 3.43Å
641L90.6Very high91.2Very high32 Ų3255.1 Ų55.117%0.16830%0.302CS..G310 helixtrans-55.5-45.7178.9-165.2161.1000112.6L523 R632 M635 E636 A643 F644 V647L523-L641 HydrophobicContact CD2-CG 4.42Å; R632-L641 HydrophobicContact CG-CD1 4.24Å; M635-L641 PolarHBondContact O-N 2.9Å; E636-L641 HydrophobicContact CB-CD1 4.37Å; L641-A643 PolarHBondContact O-N 3.39Å; L641-A643 VanDerWaalsContact O-N 3.13Å; L641-F644 PolarHBondContact O-N 2.8Å; L641-F644 VanDerWaalsContact O-N 3.11Å; L641-V647 HydrophobicContact CD2-CG2 4.01Å; L641-V647 HydrophobicContact CG-CG2 4.28Å
642P90.6Very high91.1Very high98 Ų9853.9 Ų53.964%0.63630%0.297SS*.G310 helixtrans-66-11.5176.4-20.934000115.2E639 F644E639-P642 WeakPolarHBondContact O-CD 3.43Å; P642-F644 VanDerWaalsContact C-N 3.31Å
643A90Very high91Very high8 Ų848.1 Ų48.17%0.06628%0.275CS..G310 helixtrans-77.1-19.9174.300000112.5S521 L610 I613 K614 I640 L641S521-A643 PolarHBondContact OG-O 3.18Å; L610-A643 HydrophobicContact CD2-CB 4.08Å; I613-A643 HydrophobicContact CG2-CB 4.2Å; I613-A643 WeakPolarHBondContact CG2-O 3.07Å; K614-A643 HydrophobicContact CG-CB 4.35Å; I640-A643 VanDerWaalsContact O-CB 3.25Å; I640-A643 WeakPolarHBondContact O-CB 3.16Å; I640-A643 PolarHBondContact O-N 3.34Å; L641-A643 PolarHBondContact O-N 3.39Å; L641-A643 VanDerWaalsContact O-N 3.13Å
644F92.7Very high90.8Very high14 Ų1445.5 Ų45.56%0.06126%0.26CS..SBendtrans-88.8135.1177.1-67.7-83.8000111S521 L523 L588 I613 A627 I640 L641 P642S521-F644 WeakPolarHBondContact OG-CA 3.27Å; L523-F644 HydrophobicContact CB-CB 4.07Å; L523-F644 HydrophobicContact CB-CD1 4.03Å; L523-F644 HydrophobicContact CB-CD2 3.95Å; L523-F644 HydrophobicContact CB-CE1 4.48Å; L523-F644 HydrophobicContact CB-CE2 4.38Å; L523-F644 HydrophobicContact CB-CG 3.75Å; L523-F644 HydrophobicContact CD1-CD2 4.44Å; L523-F644 HydrophobicContact CD1-CE2 4.08Å; L523-F644 HydrophobicContact CD1-CZ 4.22Å; L523-F644 HydrophobicContact CD2-CD2 4.15Å; L523-F644 HydrophobicContact CD2-CE2 4.43Å; L523-F644 HydrophobicContact CG-CD2 4.42Å; L588-F644 HydrophobicContact CD1-CE2 4.16Å; L588-F644 HydrophobicContact CD1-CZ 4.02Å; I613-F644 HydrophobicContact CD1-CE1 4.08Å; I613-F644 HydrophobicContact CD1-CE2 4.02Å; I613-F644 HydrophobicContact CD1-CZ 3.52Å; I613-F644 HydrophobicContact CG1-CZ 4.44Å; I613-F644 HydrophobicContact CG2-CD1 4.36Å; I613-F644 HydrophobicContact CG2-CE1 4.27Å; A627-F644 HydrophobicContact CB-CE1 3.56Å; A627-F644 HydrophobicContact CB-CZ 3.48Å; A627-F644 VanDerWaalsContact CB-CZ 3.48Å; I640-F644 HydrophobicContact CD1-CE2 4.43Å; I640-F644 HydrophobicContact CG1-CE2 4.07Å; I640-F644 WeakPolarHBondContact O-CD2 3.43Å; L641-F644 PolarHBondContact O-N 2.8Å; L641-F644 VanDerWaalsContact O-N 3.11Å; P642-F644 VanDerWaalsContact C-N 3.31Å
645G89.8Confident90.6Very high64 Ų6450.2 Ų50.266%0.6628%0.279SS*.SBendtrans-74.9-23.7179.100000113.6S521S521-G645 PolarHBondContact O-N 3.07Å; S521-G645 PolarHBondContact OG-N 3.07Å
646S92.4Very high90.3Very high42 Ų4250.3 Ų50.329%0.29428%0.28SS..EExtended strand (participates in β ladder)trans-146.7145177.2-64.50000111.1S521 V522 L523S521-S646 PolarHBondContact O-N 3.44Å; S521-S646 VanDerWaalsContact O-N 3.09Å; V522-S646 CarbonylContact C-O 3.49Å; V522-S646 WeakPolarHBondContact CA-O 3.45Å; L523-S646 PolarHBondContact N-O 2.86Å
647V93.9Very high90Very high54 Ų5448 Ų4833%0.32728%0.281SS..EExtended strand (participates in β ladder)trans-122.5122.7178-1770000108.3L523 E525 L641L523-V647 HydrophobicContact CB-CG2 4.35Å; L523-V647 CarbonylContact O-C 3.56Å; L523-V647 WeakPolarHBondContact O-CA 3.38Å; E525-V647 HydrophobicContact CG-CG1 3.66Å; L641-V647 HydrophobicContact CD2-CG2 4.01Å; L641-V647 HydrophobicContact CG-CG2 4.28Å
648L94Very high89.9Confident18 Ų1842.9 Ų42.99%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-109.4121.1-179.7-66.7-176.9000109.4L500 N503 L507 V522 L523 L524 E525L500-L648 HydrophobicContact CD2-CB 3.99Å; N503-L648 HydrophobicContact CB-CD2 3.91Å; L507-L648 HydrophobicContact CD1-CD1 3.83Å; L507-L648 HydrophobicContact CD1-CD2 4.38Å; L507-L648 HydrophobicContact CD1-CG 4.26Å; V522-L648 HydrophobicContact CG1-CD1 3.83Å; V522-L648 HydrophobicContact CG1-CG 3.96Å; L523-L648 PolarHBondContact O-N 2.85Å; L524-L648 WeakPolarHBondContact CA-O 2.94Å; L524-L648 HydrophobicContact CD2-CB 3.57Å; L524-L648 HydrophobicContact CD2-CD1 3.97Å; L524-L648 HydrophobicContact CD2-CG 4.41Å; L524-L648 HydrophobicContact CG-CB 4.45Å; E525-L648 PolarHBondContact N-O 3.41Å
649H93.8Very high89.8Confident90 Ų9042 Ų4242%0.41725%0.253SS..EExtended strand (participates in β ladder)trans-92.7115-177.2-176.982.6000112E525 S651E525-H649 HydrophobicContact CG-CB 4.4Å; E525-H649 IonicContact OE1-CG 2.73Å; E525-H649 IonicContact OE1-ND1 3.41Å; E525-H649 PolarHBondContact OE1-ND1 3.14Å; H649-S651 PolarHBondContact CD2-OG 2.78Å; H649-S651 PolarHBondContact O-N 3.4Å
650C91.5Very high89.7Confident5 Ų535.2 Ų35.23%0.03422%0.222CC..  trans-87.994.2175.6-61.60000110.4L500 E525 P527 K532L500-C650 HydrophobicContact CD1-CB 4.5Å; E525-C650 WeakPolarHBondContact O-CB 3.21Å; E525-C650 PolarHBondContact O-N 2.95Å; P527-C650 WeakPolarHBondContact CD-O 3.38Å; K532-C650 HydrophobicContact CG-CB 3.88Å
651S87.6Confident89.4Confident46 Ų4636.9 Ų36.932%0.32223%0.233SC..PPolyproline II helixtrans-64.1142.5179.1-59.70000112.6W493 H649W493-S651 WeakPolarHBondContact CH2-O 3.4Å; H649-S651 PolarHBondContact CD2-OG 2.78Å; H649-S651 PolarHBondContact O-N 3.4Å
652P88.6Confident89.2Confident13 Ų1335.3 Ų35.38%0.08423%0.225CC..PPolyproline II helixtrans-70.9167.2167.132.6-34.2000111.2W493 P527 T654 M687W493-P652 VanDerWaalsContact CH2-C 3.45Å; W493-P652 WeakPolarHBondContact CH2-O 3.11Å; P527-P652 HydrophobicContact CG-CB 3.82Å; P527-P652 HydrophobicContact CG-CG 3.86Å; P652-T654 PolarHBondContact O-N 2.9Å; P652-T654 PolarHBondContact O-OG1 3.02Å; P652-M687 HydrophobicContact CB-CG 4.17Å; P652-M687 HydrophobicContact CG-CE 3.84Å; P652-M687 HydrophobicContact CG-CG 3.75Å
653L88.6Confident89.1Confident0 Ų030.7 Ų30.70%020%0.195CC..EExtended strand (participates in β ladder)trans-68.3117.4172.2-67.8100.4000109.6W493 Q658 V659 V662 C686 M687 I688 I690 L693W493-L653 HydrophobicContact CD2-CD1 4.47Å; W493-L653 HydrophobicContact CD2-CD2 3.79Å; W493-L653 HydrophobicContact CD2-CG 3.81Å; W493-L653 HydrophobicContact CE3-CB 4.48Å; W493-L653 HydrophobicContact CE3-CD2 3.75Å; W493-L653 HydrophobicContact CE3-CG 3.67Å; W493-L653 HydrophobicContact CG-CD2 4.2Å; W493-L653 HydrophobicContact CH2-CB 4.2Å; W493-L653 HydrophobicContact CH2-CD1 4.3Å; W493-L653 HydrophobicContact CH2-CG 3.66Å; W493-L653 HydrophobicContact CZ2-CD1 4.06Å; W493-L653 HydrophobicContact CZ2-CG 3.83Å; W493-L653 HydrophobicContact CZ3-CB 4.04Å; W493-L653 HydrophobicContact CZ3-CD2 4.16Å; W493-L653 HydrophobicContact CZ3-CG 3.58Å; L653-Q658 HydrophobicContact CD2-CB 4.03Å; L653-V659 HydrophobicContact CB-CG2 4.22Å; L653-V659 HydrophobicContact CD2-CG2 4.11Å; L653-V662 HydrophobicContact CD2-CG2 3.62Å; L653-C686 CarbonylContact O-C 3.45Å; L653-C686 VanDerWaalsContact O-O 3.06Å; L653-C686 PolarHBondContact O-SG 3.01Å; L653-C686 VanDerWaalsContact O-SG 3.4Å; L653-M687 WeakPolarHBondContact O-CA 3.28Å; L653-I688 HydrophobicContact CB-CG2 3.95Å; L653-I688 HydrophobicContact CD1-CG2 4.44Å; L653-I688 WeakPolarHBondContact CD1-O 3.34Å; L653-I688 PolarHBondContact N-O 2.82Å; L653-I688 PolarHBondContact O-N 2.77Å; L653-I690 HydrophobicContact CD1-CB 3.99Å; L653-I690 HydrophobicContact CD1-CD1 4.21Å; L653-L693 HydrophobicContact CD1-CD2 4.22Å; L653-L693 HydrophobicContact CD2-CD2 3.82Å
654T86.4Confident88.9Confident39 Ų3935.8 Ų35.824%0.23922%0.217CC..EExtended strand (participates in β ladder)trans-105.1-36.9-173.8-51.40000112.7P652 R685 C686P652-T654 PolarHBondContact O-N 2.9Å; P652-T654 PolarHBondContact O-OG1 3.02Å; T654-R685 WeakPolarHBondContact O-CA 3.4Å; T654-C686 CarbonylContact C-O 3.42Å; T654-C686 WeakPolarHBondContact CA-O 3.45Å; T654-C686 PolarHBondContact O-N 3.47Å; T654-C686 VanDerWaalsContact O-O 3.05Å
655F86.6Confident88.4Confident109 Ų10939.9 Ų39.948%0.47824%0.236SC..EExtended strand (participates in β ladder)trans-106.2139.8-173.9-58.6-76000110.9A657 Q658 V659F655-A657 PolarHBondContact O-N 2.99Å; F655-A657 VanDerWaalsContact O-N 3.17Å; F655-Q658 HydrophobicContact CB-CG 4.21Å; F655-Q658 VanDerWaalsContact O-CB 3.25Å; F655-Q658 WeakPolarHBondContact O-CB 3.5Å; F655-Q658 PolarHBondContact O-N 2.97Å; F655-V659 PolarHBondContact O-N 3.31Å
656G85Confident87.9Confident2 Ų237.9 Ų37.92%0.02121%0.213CC..Hα-helixtrans-60.1-27.517700000114.1Q658 V659 A660 L681 K684G656-Q658 VanDerWaalsContact C-N 3.27Å; G656-Q658 PolarHBondContact O-N 3.3Å; G656-V659 WeakPolarHBondContact O-CB 3.14Å; G656-V659 PolarHBondContact O-N 3.2Å; G656-A660 PolarHBondContact O-N 3.47Å; G656-L681 WeakPolarHBondContact CA-O 3.27Å; G656-K684 PolarHBondContact N-O 2.91Å
657A86.6Confident87.2Confident68 Ų6843.1 Ų43.156%0.56224%0.237SC*.Hα-helixtrans-59.9-36.5171.600000112.9F655 A660 C661F655-A657 PolarHBondContact O-N 2.99Å; F655-A657 VanDerWaalsContact O-N 3.17Å; A657-A660 PolarHBondContact O-N 2.89Å; A657-C661 PolarHBondContact O-N 2.84Å; A657-C661 VanDerWaalsContact O-N 3.08Å
658Q88.5Confident86.4Confident33 Ų3340.9 Ų40.915%0.15422%0.224CC..Hα-helixtrans-68.6-41.8176.1-68.1171.3-28.500111.2W493 L653 F655 G656 A660 C661 V662W493-Q658 HydrophobicContact CE3-CB 3.57Å; W493-Q658 HydrophobicContact CE3-CG 3.75Å; W493-Q658 HydrophobicContact CZ3-CB 4.05Å; W493-Q658 HydrophobicContact CZ3-CG 4.04Å; L653-Q658 HydrophobicContact CD2-CB 4.03Å; F655-Q658 HydrophobicContact CB-CG 4.21Å; F655-Q658 VanDerWaalsContact O-CB 3.25Å; F655-Q658 WeakPolarHBondContact O-CB 3.5Å; F655-Q658 PolarHBondContact O-N 2.97Å; G656-Q658 VanDerWaalsContact C-N 3.27Å; G656-Q658 PolarHBondContact O-N 3.3Å; Q658-A660 VanDerWaalsContact C-N 3.34Å; Q658-C661 WeakPolarHBondContact O-CB 3.28Å; Q658-C661 PolarHBondContact O-N 3.49Å; Q658-V662 PolarHBondContact O-N 3.43Å; Q658-V662 VanDerWaalsContact O-N 3.16Å
659V87Confident85.7Confident0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-62.2-44175177.50000110.5L653 F655 G656 C661 V662 V663 L681 C686 L693 F712 L716L653-V659 HydrophobicContact CB-CG2 4.22Å; L653-V659 HydrophobicContact CD2-CG2 4.11Å; F655-V659 PolarHBondContact O-N 3.31Å; G656-V659 WeakPolarHBondContact O-CB 3.14Å; G656-V659 PolarHBondContact O-N 3.2Å; V659-C661 VanDerWaalsContact C-N 3.31Å; V659-C661 PolarHBondContact O-N 3.47Å; V659-V662 PolarHBondContact O-N 3.49Å; V659-V663 HydrophobicContact CG1-CG2 4.27Å; V659-V663 VanDerWaalsContact O-CG2 3.28Å; V659-V663 WeakPolarHBondContact O-CG2 3.41Å; V659-V663 PolarHBondContact O-N 2.91Å; V659-L681 HydrophobicContact CB-CD1 4.12Å; V659-L681 HydrophobicContact CG1-CD1 3.83Å; V659-L681 HydrophobicContact CG1-CD2 4.45Å; V659-C686 WeakPolarHBondContact CG2-SG 3.18Å; V659-L693 HydrophobicContact CB-CD2 4.48Å; V659-L693 HydrophobicContact CG1-CD1 3.97Å; V659-L693 HydrophobicContact CG1-CD2 4.05Å; V659-L693 HydrophobicContact CG2-CD2 4.37Å; V659-F712 HydrophobicContact CG1-CZ 4.19Å; V659-L716 HydrophobicContact CG1-CD2 4.35Å
660A87.1Confident85Confident5 Ų540.9 Ų40.94%0.04123%0.225CC..Hα-helixtrans-57.9-43.3176.300000111.6G656 A657 Q658 V662 V663 E664 F674 Q678 L681G656-A660 PolarHBondContact O-N 3.47Å; A657-A660 PolarHBondContact O-N 2.89Å; Q658-A660 VanDerWaalsContact C-N 3.34Å; A660-V662 PolarHBondContact O-N 3.26Å; A660-V663 PolarHBondContact O-N 3.44Å; A660-E664 WeakPolarHBondContact O-CB 3.33Å; A660-E664 PolarHBondContact O-N 3.27Å; A660-F674 HydrophobicContact CB-CZ 4.47Å; A660-F674 WeakPolarHBondContact O-CE2 3.18Å; A660-Q678 HydrophobicContact CB-CG 4.49Å; A660-L681 HydrophobicContact CB-CD1 4.18Å
661C86.4Confident84.4Confident34 Ų3444.5 Ų44.523%0.2326%0.256CS..Hα-helixtrans-60.4-42.7176.4-1760000112.9A657 Q658 V659 E664 Q665A657-C661 PolarHBondContact O-N 2.84Å; A657-C661 VanDerWaalsContact O-N 3.08Å; Q658-C661 WeakPolarHBondContact O-CB 3.28Å; Q658-C661 PolarHBondContact O-N 3.49Å; V659-C661 VanDerWaalsContact C-N 3.31Å; V659-C661 PolarHBondContact O-N 3.47Å; C661-E664 PolarHBondContact O-N 3.32Å; C661-Q665 WeakPolarHBondContact O-CG 3.24Å; C661-Q665 PolarHBondContact O-N 3.35Å; C661-Q665 VanDerWaalsContact O-N 3.17Å
662V87.2Confident84.1Confident0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-63.4-44174.6177.60000111.2I491 W493 L653 Q658 V659 A660 E664 Q665 S666 I690 L693 L694 I697I491-V662 HydrophobicContact CD1-CG1 4.25Å; I491-V662 HydrophobicContact CG2-CB 4.42Å; I491-V662 HydrophobicContact CG2-CG1 4.4Å; I491-V662 HydrophobicContact CG2-CG2 4.04Å; W493-V662 HydrophobicContact CB-CG2 3.49Å; W493-V662 VanDerWaalsContact CB-CG2 3.49Å; W493-V662 HydrophobicContact CG-CG2 3.9Å; L653-V662 HydrophobicContact CD2-CG2 3.62Å; Q658-V662 PolarHBondContact O-N 3.43Å; Q658-V662 VanDerWaalsContact O-N 3.16Å; V659-V662 PolarHBondContact O-N 3.49Å; A660-V662 PolarHBondContact O-N 3.26Å; V662-E664 VanDerWaalsContact C-N 3.32Å; V662-E664 PolarHBondContact O-N 3.07Å; V662-Q665 PolarHBondContact O-N 2.92Å; V662-S666 WeakPolarHBondContact O-CB 3.42Å; V662-S666 PolarHBondContact O-N 3.37Å; V662-S666 VanDerWaalsContact O-N 3.11Å; V662-I690 HydrophobicContact CB-CD1 4.25Å; V662-I690 HydrophobicContact CG1-CD1 3.58Å; V662-I690 HydrophobicContact CG2-CD1 3.54Å; V662-L693 HydrophobicContact CB-CD2 3.9Å; V662-L693 HydrophobicContact CG1-CD2 3.83Å; V662-L693 HydrophobicContact CG1-CG 4.4Å; V662-L693 HydrophobicContact CG2-CD2 4.1Å; V662-L694 HydrophobicContact CG1-CD2 4.27Å; V662-I697 HydrophobicContact CG1-CD1 4.09Å
663V86.7Confident83.7Confident1 Ų151.3 Ų51.31%0.00628%0.28CS..Hα-helixtrans-64.3-40.7-178.8173.30000110.7V659 A660 S666 F669 F674 L677 I697 F712V659-V663 HydrophobicContact CG1-CG2 4.27Å; V659-V663 VanDerWaalsContact O-CG2 3.28Å; V659-V663 WeakPolarHBondContact O-CG2 3.41Å; V659-V663 PolarHBondContact O-N 2.91Å; A660-V663 PolarHBondContact O-N 3.44Å; V663-S666 PolarHBondContact O-N 2.94Å; V663-S666 PolarHBondContact O-OG 2.83Å; V663-F669 HydrophobicContact CG1-CD2 3.32Å; V663-F669 HydrophobicContact CG1-CE2 3.55Å; V663-F669 HydrophobicContact CG1-CG 4.39Å; V663-F674 HydrophobicContact CB-CE2 4.31Å; V663-F674 HydrophobicContact CG1-CD2 4.07Å; V663-F674 HydrophobicContact CG1-CE2 4.17Å; V663-L677 HydrophobicContact CB-CD2 4.44Å; V663-L677 HydrophobicContact CG1-CD2 4.09Å; V663-L677 HydrophobicContact CG2-CD2 4.49Å; V663-I697 HydrophobicContact CG2-CD1 3.93Å; V663-I697 HydrophobicContact CG2-CG1 4.31Å; V663-F712 HydrophobicContact CG2-CE1 4.44Å; V663-F712 HydrophobicContact CG2-CE2 4.37Å; V663-F712 HydrophobicContact CG2-CZ 3.81Å
664E85.9Confident83.5Confident115 Ų11552.6 Ų52.654%0.53729%0.286SS..Hα-helixtrans-57.5-50.3175.2-165.1173.8-173.300111.4A660 C661 V662 S666 D667 F674A660-E664 WeakPolarHBondContact O-CB 3.33Å; A660-E664 PolarHBondContact O-N 3.27Å; C661-E664 PolarHBondContact O-N 3.32Å; V662-E664 VanDerWaalsContact C-N 3.32Å; V662-E664 PolarHBondContact O-N 3.07Å; E664-S666 PolarHBondContact O-N 3.36Å; E664-D667 PolarHBondContact O-N 2.97Å; E664-F674 HydrophobicContact CB-CE1 4.29Å; E664-F674 HydrophobicContact CB-CE2 3.75Å; E664-F674 HydrophobicContact CB-CZ 3.53Å; E664-F674 HydrophobicContact CG-CE1 4.08Å; E664-F674 HydrophobicContact CG-CE2 4.36Å; E664-F674 HydrophobicContact CG-CZ 3.83Å
665Q82.3Confident83.4Confident99 Ų9952.7 Ų52.746%0.46329%0.291SS..Hα-helixtrans-69.4-16.5179.9-67.6-177.622.100113.8I491 I492 C661 V662I491-Q665 VanDerWaalsContact CG2-OE1 3.25Å; I492-Q665 PolarHBondContact O-NE2 3.03Å; C661-Q665 WeakPolarHBondContact O-CG 3.24Å; C661-Q665 PolarHBondContact O-N 3.35Å; C661-Q665 VanDerWaalsContact O-N 3.17Å; V662-Q665 PolarHBondContact O-N 2.92Å
666S79.4Confident83.3Confident23 Ų2351.5 Ų51.516%0.16129%0.288CS..THydrogen-bonded Turntrans-86.1-4.8-179.175.40000114.5V662 V663 E664 A668 K701V662-S666 WeakPolarHBondContact O-CB 3.42Å; V662-S666 PolarHBondContact O-N 3.37Å; V662-S666 VanDerWaalsContact O-N 3.11Å; V663-S666 PolarHBondContact O-N 2.94Å; V663-S666 PolarHBondContact O-OG 2.83Å; E664-S666 PolarHBondContact O-N 3.36Å; S666-A668 PolarHBondContact O-N 2.99Å; S666-A668 WeakPolarHBondContact OG-CB 3.32Å; S666-K701 PolarHBondContact O-NZ 3.09Å
667D78.5Confident83.2Confident151 Ų15151.4 Ų51.481%0.80729%0.287SS*.THydrogen-bonded Turntrans47.630.8-176.6-72.2-35.9000114E664E664-D667 PolarHBondContact O-N 2.97Å
668A76.1Confident83.2Confident7 Ų752.1 Ų52.16%0.05828%0.279CS..  trans-82.4-21.1-17100000114.5S666 I697 K701 R708S666-A668 PolarHBondContact O-N 2.99Å; S666-A668 WeakPolarHBondContact OG-CB 3.32Å; A668-I697 HydrophobicContact CB-CG2 3.46Å; A668-I697 VanDerWaalsContact CB-CG2 3.46Å; A668-K701 HydrophobicContact CB-CD 4.36Å; A668-K701 HydrophobicContact CB-CG 4.19Å; A668-R708 PolarHBondContact O-NH1 3.31Å
669F79.5Confident83Confident23 Ų2359.6 Ų59.610%0.10131%0.306CS..SBendtrans-128145.8-172.7-63.5-96000110.7V663 D673 F674 L677 R708 I709 F712V663-F669 HydrophobicContact CG1-CD2 3.32Å; V663-F669 HydrophobicContact CG1-CE2 3.55Å; V663-F669 HydrophobicContact CG1-CG 4.39Å; F669-D673 HydrophobicContact CB-CB 4.25Å; F669-D673 HydrophobicContact CD1-CB 4.39Å; F669-F674 HydrophobicContact CB-CB 4.42Å; F669-L677 HydrophobicContact CD1-CD1 4.34Å; F669-L677 HydrophobicContact CE1-CD1 3.92Å; F669-L677 HydrophobicContact CE2-CD1 4.14Å; F669-L677 HydrophobicContact CZ-CD1 3.83Å; F669-R708 HydrophobicContact CD1-CG 4.25Å; F669-R708 HydrophobicContact CE1-CB 4.46Å; F669-R708 HydrophobicContact CE1-CG 3.64Å; F669-R708 HydrophobicContact CZ-CG 4.25Å; F669-I709 HydrophobicContact CD1-CG1 4.35Å; F669-I709 HydrophobicContact CE1-CG1 4.31Å; F669-F712 HydrophobicContact CZ-CB 3.97Å; F669-F712 HydrophobicContact CZ-CD1 4.42Å; F669-F712 HydrophobicContact CZ-CD2 4.11Å; F669-F712 AromaticContact CZ-CG 3.9Å; F669-F712 HydrophobicContact CZ-CG 3.9Å
670I79.3Confident82.9Confident85 Ų8563.6 Ų63.644%0.43633%0.326SS..  trans-66.7147.8173.9-59.2169000108.4K672 D673 F674 E705I670-K672 PolarHBondContact O-N 3.26Å; I670-D673 WeakPolarHBondContact O-CA 3.47Å; I670-D673 WeakPolarHBondContact O-CB 3.42Å; I670-D673 PolarHBondContact O-N 3.25Å; I670-F674 PolarHBondContact O-N 3.5Å; I670-E705 WeakPolarHBondContact CD1-OE1 3.49Å
671A79.3Confident82.8Confident82 Ų8263.5 Ų63.568%0.67832%0.324SS*.Hα-helixtrans-49.5-34.2-177.500000114.7A675A671-A675 PolarHBondContact O-N 3.38Å; A671-A675 VanDerWaalsContact O-N 3.14Å
672K80.7Confident82.3Confident169 Ų16968 Ų6874%0.73534%0.342SS*.Hα-helixtrans-67.3-45.3175-69.6-176.5179.2178.10112.4I670 F674 A675 I676I670-K672 PolarHBondContact O-N 3.26Å; K672-F674 VanDerWaalsContact C-N 3.35Å; K672-A675 PolarHBondContact O-N 3.03Å; K672-I676 WeakPolarHBondContact O-CG1 3.44Å; K672-I676 PolarHBondContact O-N 3.49Å
673D81.2Confident81.7Confident32 Ų3277.1 Ų77.117%0.17138%0.384CS..Hα-helixtrans-68.7-37.9179.3-66.2-15.6000111F669 I670 I676 L677 I709F669-D673 HydrophobicContact CB-CB 4.25Å; F669-D673 HydrophobicContact CD1-CB 4.39Å; I670-D673 WeakPolarHBondContact O-CA 3.47Å; I670-D673 WeakPolarHBondContact O-CB 3.42Å; I670-D673 PolarHBondContact O-N 3.25Å; D673-I676 PolarHBondContact O-N 3.38Å; D673-L677 WeakPolarHBondContact O-CB 3.5Å; D673-L677 PolarHBondContact O-N 3.08Å; D673-I709 HydrophobicContact CB-CD1 3.73Å; D673-I709 HydrophobicContact CB-CG1 4.21Å
674F84.2Confident81.4Confident27 Ų2780.7 Ų80.712%0.11840%0.4CS..Hα-helixtrans-60.9-44.1174.6-178.1-105.9000111.8A660 V663 E664 F669 I670 K672 I676 L677 Q678A660-F674 HydrophobicContact CB-CZ 4.47Å; A660-F674 WeakPolarHBondContact O-CE2 3.18Å; V663-F674 HydrophobicContact CB-CE2 4.31Å; V663-F674 HydrophobicContact CG1-CD2 4.07Å; V663-F674 HydrophobicContact CG1-CE2 4.17Å; E664-F674 HydrophobicContact CB-CE1 4.29Å; E664-F674 HydrophobicContact CB-CE2 3.75Å; E664-F674 HydrophobicContact CB-CZ 3.53Å; E664-F674 HydrophobicContact CG-CE1 4.08Å; E664-F674 HydrophobicContact CG-CE2 4.36Å; E664-F674 HydrophobicContact CG-CZ 3.83Å; F669-F674 HydrophobicContact CB-CB 4.42Å; I670-F674 PolarHBondContact O-N 3.5Å; K672-F674 VanDerWaalsContact C-N 3.35Å; F674-I676 VanDerWaalsContact C-N 3.29Å; F674-I676 PolarHBondContact O-N 2.83Å; F674-L677 PolarHBondContact O-N 2.85Å; F674-Q678 WeakPolarHBondContact O-CB 3.27Å; F674-Q678 PolarHBondContact O-N 3.03Å
675A83.9Confident81.2Confident42 Ų4283.6 Ų83.635%0.34741%0.406SS..Hα-helixtrans-63.1-33.9177.100000113A671 K672 R679A671-A675 PolarHBondContact O-N 3.38Å; A671-A675 VanDerWaalsContact O-N 3.14Å; K672-A675 PolarHBondContact O-N 3.03Å; A675-R679 WeakPolarHBondContact O-CG 3.38Å; A675-R679 PolarHBondContact O-N 3.3Å
676I83.8Confident81.3Confident84 Ų8479.1 Ų79.143%0.43139%0.386SS..Hα-helixtrans-68.4-48.6174-64.2167.5000109.7K672 D673 F674 Q678 R679 M680 I709K672-I676 WeakPolarHBondContact O-CG1 3.44Å; K672-I676 PolarHBondContact O-N 3.49Å; D673-I676 PolarHBondContact O-N 3.38Å; F674-I676 VanDerWaalsContact C-N 3.29Å; F674-I676 PolarHBondContact O-N 2.83Å; I676-Q678 VanDerWaalsContact C-N 3.35Å; I676-Q678 PolarHBondContact O-N 3.47Å; I676-R679 PolarHBondContact O-N 3.13Å; I676-M680 HydrophobicContact CG2-SD 4.23Å; I676-M680 WeakPolarHBondContact O-CG 3.38Å; I676-M680 PolarHBondContact O-N 3.03Å; I676-M680 VanDerWaalsContact O-N 3.09Å; I676-I709 HydrophobicContact CB-CD1 4.29Å; I676-I709 HydrophobicContact CG2-CD1 4.26Å
677L84.3Confident81.6Confident0 Ų082.2 Ų82.20%040%0.399CS..Hα-helixtrans-62.1-40.3-180-178.1143.8000111.9V663 F669 D673 F674 R679 M680 L681 F712V663-L677 HydrophobicContact CB-CD2 4.44Å; V663-L677 HydrophobicContact CG1-CD2 4.09Å; V663-L677 HydrophobicContact CG2-CD2 4.49Å; F669-L677 HydrophobicContact CD1-CD1 4.34Å; F669-L677 HydrophobicContact CE1-CD1 3.92Å; F669-L677 HydrophobicContact CE2-CD1 4.14Å; F669-L677 HydrophobicContact CZ-CD1 3.83Å; D673-L677 WeakPolarHBondContact O-CB 3.5Å; D673-L677 PolarHBondContact O-N 3.08Å; F674-L677 PolarHBondContact O-N 2.85Å; L677-R679 PolarHBondContact O-N 2.77Å; L677-M680 PolarHBondContact O-N 3.1Å; L677-M680 VanDerWaalsContact O-N 3.15Å; L677-L681 HydrophobicContact CD2-CD1 3.43Å; L677-L681 VanDerWaalsContact CD2-CD1 3.43Å; L677-L681 HydrophobicContact CD2-CG 4.31Å; L677-L681 HydrophobicContact CG-CD1 4.15Å; L677-L681 WeakPolarHBondContact O-CG 3.39Å; L677-L681 PolarHBondContact O-N 3.08Å; L677-F712 HydrophobicContact CD1-CD1 3.58Å; L677-F712 HydrophobicContact CD1-CE1 3.84Å; L677-F712 HydrophobicContact CD1-CG 4.36Å; L677-F712 HydrophobicContact CG-CE1 4.49Å
678Q85.4Confident82.1Confident82 Ų8275.3 Ų75.338%0.38336%0.362SS..Hα-helixtrans-59-47.2175.5-173.7176.210.800111.4A660 F674 I676 M680 L681 E682A660-Q678 HydrophobicContact CB-CG 4.49Å; F674-Q678 WeakPolarHBondContact O-CB 3.27Å; F674-Q678 PolarHBondContact O-N 3.03Å; I676-Q678 VanDerWaalsContact C-N 3.35Å; I676-Q678 PolarHBondContact O-N 3.47Å; Q678-M680 VanDerWaalsContact C-N 3.29Å; Q678-M680 PolarHBondContact O-N 2.93Å; Q678-L681 PolarHBondContact O-N 2.82Å; Q678-L681 VanDerWaalsContact O-N 3.12Å; Q678-E682 WeakPolarHBondContact O-CG 3.25Å; Q678-E682 PolarHBondContact O-N 3.19Å
679R85.1Confident82.7Confident191 Ų19175.3 Ų75.372%0.72136%0.363SS*.Hα-helixtrans-61.8-35.6175.4-71.5177.8-175.4172.22.8112.8A675 I676 L677 L681A675-R679 WeakPolarHBondContact O-CG 3.38Å; A675-R679 PolarHBondContact O-N 3.3Å; I676-R679 PolarHBondContact O-N 3.13Å; L677-R679 PolarHBondContact O-N 2.77Å; R679-L681 VanDerWaalsContact C-N 3.31Å
680M84.2Confident83.2Confident84 Ų8475.3 Ų75.341%0.41436%0.363SS..Hα-helixtrans-71.1-27.2176.9-67.3-178.97800112.8I676 L677 Q678 I709 M713I676-M680 HydrophobicContact CG2-SD 4.23Å; I676-M680 WeakPolarHBondContact O-CG 3.38Å; I676-M680 PolarHBondContact O-N 3.03Å; I676-M680 VanDerWaalsContact O-N 3.09Å; L677-M680 PolarHBondContact O-N 3.1Å; L677-M680 VanDerWaalsContact O-N 3.15Å; Q678-M680 VanDerWaalsContact C-N 3.29Å; Q678-M680 PolarHBondContact O-N 2.93Å; M680-I709 HydrophobicContact SD-CG2 4.08Å; M680-M713 HydrophobicContact CB-CE 4.3Å; M680-M713 HydrophobicContact CE-CE 4.4Å; M680-M713 HydrophobicContact CE-CG 4.09Å; M680-M713 HydrophobicContact SD-CG 4.46Å
681L84.7Confident83.8Confident2 Ų277 Ų771%0.0137%0.368CS..Hα-helixtrans-90.6-26.2-178.5-71.2177.5000113.7G656 V659 A660 L677 Q678 R679 Q683 K684 M713 L716G656-L681 WeakPolarHBondContact CA-O 3.27Å; V659-L681 HydrophobicContact CB-CD1 4.12Å; V659-L681 HydrophobicContact CG1-CD1 3.83Å; V659-L681 HydrophobicContact CG1-CD2 4.45Å; A660-L681 HydrophobicContact CB-CD1 4.18Å; L677-L681 HydrophobicContact CD2-CD1 3.43Å; L677-L681 VanDerWaalsContact CD2-CD1 3.43Å; L677-L681 HydrophobicContact CD2-CG 4.31Å; L677-L681 HydrophobicContact CG-CD1 4.15Å; L677-L681 WeakPolarHBondContact O-CG 3.39Å; L677-L681 PolarHBondContact O-N 3.08Å; Q678-L681 PolarHBondContact O-N 2.82Å; Q678-L681 VanDerWaalsContact O-N 3.12Å; R679-L681 VanDerWaalsContact C-N 3.31Å; L681-Q683 PolarHBondContact O-N 2.89Å; L681-K684 PolarHBondContact O-N 2.93Å; L681-M713 HydrophobicContact CD2-CE 4.25Å; L681-M713 HydrophobicContact CD2-SD 4.07Å; L681-L716 HydrophobicContact CD2-CD2 3.67Å
682E77.4Confident84.3Confident128 Ų12875.9 Ų75.960%0.59835%0.348SS*.THydrogen-bonded Turntrans-49.2-35.2-173-91.4172.9-165.900114.9Q678Q678-E682 WeakPolarHBondContact O-CG 3.25Å; Q678-E682 PolarHBondContact O-N 3.19Å
683Q73.4Confident84.7Confident192 Ų19267.9 Ų67.990%0.89731%0.313SS*.THydrogen-bonded Turntrans-108.41179.5-61.9-152.4-13.100114.8L681L681-Q683 PolarHBondContact O-N 2.89Å
684K80.2Confident85.2Confident76 Ų7668.6 Ų68.633%0.3332%0.316SS..  trans-87.4140.2179.9-74.1-169.5176-175.50111.4G656 L681 M713 E717G656-K684 PolarHBondContact N-O 2.91Å; L681-K684 PolarHBondContact O-N 2.93Å; K684-M713 HydrophobicContact CD-CE 3.86Å; K684-M713 VanDerWaalsContact NZ-CE 3.29Å; K684-E717 IonicContact NZ-OE1 2.8Å; K684-E717 PolarHBondContact NZ-OE1 3.18Å
685R83Confident85.4Confident176 Ų17671.3 Ų71.366%0.66433%0.332SS*.EExtended strand (participates in β ladder)trans-100.9136165.4-66.9-175.3177-172.4-1.1108.1T654 Y722T654-R685 WeakPolarHBondContact O-CA 3.4Å; R685-Y722 HydrophobicContact CB-CD2 4.45Å
686C83.6Confident85.8Confident6 Ų669.6 Ų69.64%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-128.6164.4175.456.70000108.4L653 T654 V659L653-C686 CarbonylContact O-C 3.45Å; L653-C686 VanDerWaalsContact O-O 3.06Å; L653-C686 PolarHBondContact O-SG 3.01Å; L653-C686 VanDerWaalsContact O-SG 3.4Å; T654-C686 CarbonylContact C-O 3.42Å; T654-C686 WeakPolarHBondContact CA-O 3.45Å; T654-C686 PolarHBondContact O-N 3.47Å; T654-C686 VanDerWaalsContact O-O 3.05Å; V659-C686 WeakPolarHBondContact CG2-SG 3.18Å
687M85.9Confident86Confident88 Ų8865.7 Ų65.743%0.43330%0.297SS..EExtended strand (participates in β ladder)trans-135.390.6165.5-173.8-175-178.400106.8P652 L653 Y722P652-M687 HydrophobicContact CB-CG 4.17Å; P652-M687 HydrophobicContact CG-CE 3.84Å; P652-M687 HydrophobicContact CG-CG 3.75Å; L653-M687 WeakPolarHBondContact O-CA 3.28Å; M687-Y722 HydrophobicContact CB-CD2 4.05Å; M687-Y722 HydrophobicContact CB-CE2 3.75Å
688I88.8Confident86.2Confident5 Ų569.7 Ų69.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-132.8141.2-175-168.4166.1000111L653 K692 L693 I696 L716 E719L653-I688 HydrophobicContact CB-CG2 3.95Å; L653-I688 HydrophobicContact CD1-CG2 4.44Å; L653-I688 WeakPolarHBondContact CD1-O 3.34Å; L653-I688 PolarHBondContact N-O 2.82Å; L653-I688 PolarHBondContact O-N 2.77Å; I688-K692 HydrophobicContact CD1-CG 4.21Å; I688-K692 HydrophobicContact CG1-CB 4.2Å; I688-K692 HydrophobicContact CG1-CG 4.25Å; I688-L693 HydrophobicContact CD1-CB 4.14Å; I688-L693 HydrophobicContact CD1-CD1 4.46Å; I688-L693 HydrophobicContact CG1-CB 4.33Å; I688-L693 HydrophobicContact CG2-CB 4.43Å; I688-I696 HydrophobicContact CD1-CD1 3.49Å; I688-I696 VanDerWaalsContact CD1-CD1 3.49Å; I688-L716 HydrophobicContact CD1-CD1 3.89Å; I688-L716 HydrophobicContact CG2-CD1 4.28Å; I688-E719 HydrophobicContact CD1-CB 4.43Å
689G89.4Confident86.4Confident8 Ų870 Ų708%0.08232%0.322CS..  trans-78.5143.3172.700000111.4N529 K691 K692 L693N529-G689 CarbonylContact O-C 3.47Å; N529-G689 VanDerWaalsContact O-C 3.24Å; N529-G689 WeakPolarHBondContact O-CA 3.45Å; G689-K691 VanDerWaalsContact C-N 3.28Å; G689-K691 PolarHBondContact O-N 2.7Å; G689-K692 PolarHBondContact O-N 3.08Å; G689-L693 PolarHBondContact O-N 3.02Å
690I90.4Very high86.5Confident22 Ų2260.9 Ų60.911%0.11329%0.288CS..Hα-helixtrans-52.6-41.7-178.8-173.761.7000113.4N529 S530 L653 V662 K692 L693 L694N529-I690 PolarHBondContact O-N 3.37Å; N529-I690 VanDerWaalsContact O-N 3.13Å; S530-I690 WeakPolarHBondContact O-CG2 3.38Å; L653-I690 HydrophobicContact CD1-CB 3.99Å; L653-I690 HydrophobicContact CD1-CD1 4.21Å; V662-I690 HydrophobicContact CB-CD1 4.25Å; V662-I690 HydrophobicContact CG1-CD1 3.58Å; V662-I690 HydrophobicContact CG2-CD1 3.54Å; I690-K692 PolarHBondContact O-N 3.12Å; I690-L693 PolarHBondContact O-N 3.35Å; I690-L694 HydrophobicContact CG1-CD1 4.39Å; I690-L694 WeakPolarHBondContact O-CG 3.39Å; I690-L694 PolarHBondContact O-N 2.85Å
691K89.9Confident86.6Confident122 Ų12260.5 Ų60.553%0.5328%0.284SS..Hα-helixtrans-65-42.2-179.7179.3178.5-179.31780111.2N529 G689 L693 L694 D695N529-K691 HydrophobicContact CB-CB 4.03Å; N529-K691 WeakPolarHBondContact O-CB 3Å; N529-K691 PolarHBondContact O-N 3.42Å; G689-K691 VanDerWaalsContact C-N 3.28Å; G689-K691 PolarHBondContact O-N 2.7Å; K691-L693 VanDerWaalsContact C-N 3.34Å; K691-L694 PolarHBondContact O-N 3.33Å; K691-D695 VanDerWaalsContact O-CG 3.25Å; K691-D695 PolarHBondContact O-N 2.91Å
692K90.4Very high86.7Confident58 Ų5868.3 Ų68.325%0.25232%0.32SS..Hα-helixtrans-68.2-36.8177.8-175.463.3174.9-171.30111.4N529 I688 G689 I690 D695 I696 E719N529-K692 HydrophobicContact CB-CB 4.13Å; I688-K692 HydrophobicContact CD1-CG 4.21Å; I688-K692 HydrophobicContact CG1-CB 4.2Å; I688-K692 HydrophobicContact CG1-CG 4.25Å; G689-K692 PolarHBondContact O-N 3.08Å; I690-K692 PolarHBondContact O-N 3.12Å; K692-D695 PolarHBondContact O-N 3.19Å; K692-I696 WeakPolarHBondContact O-CG1 3.47Å; K692-I696 PolarHBondContact O-N 2.96Å; K692-E719 WeakPolarHBondContact CE-OE1 3.36Å; K692-E719 WeakPolarHBondContact CE-OE2 3.43Å; K692-E719 VanDerWaalsContact NZ-CD 3.26Å; K692-E719 IonicContact NZ-OE1 2.74Å; K692-E719 PolarHBondContact NZ-OE1 3.44Å; K692-E719 IonicContact NZ-OE2 3.71Å; K692-E719 PolarHBondContact NZ-OE2 2.79Å
693L90.4Very high87.1Confident0 Ų063.3 Ų63.30%030%0.3CS..Hα-helixtrans-62.5-44.5173.8177.660.6000111.5L653 V659 V662 I688 G689 I690 K691 D695 I696 I697 F712 L716L653-L693 HydrophobicContact CD1-CD2 4.22Å; L653-L693 HydrophobicContact CD2-CD2 3.82Å; V659-L693 HydrophobicContact CB-CD2 4.48Å; V659-L693 HydrophobicContact CG1-CD1 3.97Å; V659-L693 HydrophobicContact CG1-CD2 4.05Å; V659-L693 HydrophobicContact CG2-CD2 4.37Å; V662-L693 HydrophobicContact CB-CD2 3.9Å; V662-L693 HydrophobicContact CG1-CD2 3.83Å; V662-L693 HydrophobicContact CG1-CG 4.4Å; V662-L693 HydrophobicContact CG2-CD2 4.1Å; I688-L693 HydrophobicContact CD1-CB 4.14Å; I688-L693 HydrophobicContact CD1-CD1 4.46Å; I688-L693 HydrophobicContact CG1-CB 4.33Å; I688-L693 HydrophobicContact CG2-CB 4.43Å; G689-L693 PolarHBondContact O-N 3.02Å; I690-L693 PolarHBondContact O-N 3.35Å; K691-L693 VanDerWaalsContact C-N 3.34Å; L693-D695 VanDerWaalsContact C-N 3.34Å; L693-D695 PolarHBondContact O-N 2.8Å; L693-I696 PolarHBondContact O-N 2.71Å; L693-I696 VanDerWaalsContact O-N 3.16Å; L693-I697 HydrophobicContact CD1-CD1 4.38Å; L693-I697 HydrophobicContact CD1-CG1 4.46Å; L693-I697 HydrophobicContact CG-CD1 4.06Å; L693-I697 VanDerWaalsContact O-CG1 3.31Å; L693-I697 WeakPolarHBondContact O-CG1 3.42Å; L693-I697 PolarHBondContact O-N 3.29Å; L693-F712 HydrophobicContact CD1-CE2 4.04Å; L693-F712 HydrophobicContact CD1-CZ 3.9Å; L693-L716 HydrophobicContact CD1-CD1 4.16Å
694L90.4Very high87.6Confident47 Ų4757.2 Ų57.225%0.24628%0.282CS..Hα-helixtrans-60.8-42.2174.6-69.1172000111.8I491 V662 I690 K691 I696 I697 D698I491-L694 HydrophobicContact CD1-CD2 4.02Å; V662-L694 HydrophobicContact CG1-CD2 4.27Å; I690-L694 HydrophobicContact CG1-CD1 4.39Å; I690-L694 WeakPolarHBondContact O-CG 3.39Å; I690-L694 PolarHBondContact O-N 2.85Å; K691-L694 PolarHBondContact O-N 3.33Å; L694-I696 VanDerWaalsContact C-N 3.29Å; L694-I696 PolarHBondContact O-N 3Å; L694-I697 HydrophobicContact CD2-CD1 4.33Å; L694-I697 WeakPolarHBondContact O-CB 3.47Å; L694-I697 PolarHBondContact O-N 2.79Å; L694-I697 VanDerWaalsContact O-N 3.14Å; L694-D698 PolarHBondContact O-N 2.93Å
695D89.4Confident87.6Confident84 Ų8459 Ų5945%0.44929%0.291SS..Hα-helixtrans-59-40174.3-62.5-29.9000111.7K691 K692 L693 L699K691-D695 VanDerWaalsContact O-CG 3.25Å; K691-D695 PolarHBondContact O-N 2.91Å; K692-D695 PolarHBondContact O-N 3.19Å; L693-D695 VanDerWaalsContact C-N 3.34Å; L693-D695 PolarHBondContact O-N 2.8Å; D695-L699 VanDerWaalsContact O-CB 3.31Å; D695-L699 WeakPolarHBondContact O-CB 3.43Å; D695-L699 PolarHBondContact O-N 3.27Å
696I90.9Very high87.5Confident7 Ų759.1 Ų59.14%0.03630%0.299CS..Hα-helixtrans-68.6-38.4175.9-65.6170.6000111.5I688 K692 L693 L694 S700 F712 K715 E719I688-I696 HydrophobicContact CD1-CD1 3.49Å; I688-I696 VanDerWaalsContact CD1-CD1 3.49Å; K692-I696 WeakPolarHBondContact O-CG1 3.47Å; K692-I696 PolarHBondContact O-N 2.96Å; L693-I696 PolarHBondContact O-N 2.71Å; L693-I696 VanDerWaalsContact O-N 3.16Å; L694-I696 VanDerWaalsContact C-N 3.29Å; L694-I696 PolarHBondContact O-N 3Å; I696-S700 VanDerWaalsContact O-CB 3.26Å; I696-S700 WeakPolarHBondContact O-CB 3.46Å; I696-S700 PolarHBondContact O-N 2.56Å; I696-S700 PolarHBondContact O-OG 2.86Å; I696-F712 HydrophobicContact CG2-CD2 3.72Å; I696-F712 HydrophobicContact CG2-CE2 3.9Å; I696-K715 HydrophobicContact CG1-CB 4.47Å; I696-K715 HydrophobicContact CG2-CB 3.74Å; I696-E719 HydrophobicContact CD1-CB 4.16Å; I696-E719 HydrophobicContact CD1-CG 4.15Å
697I88.6Confident87.5Confident1 Ų165.1 Ų65.11%0.00533%0.325CS..Hα-helixtrans-62.7-48.3175.8-70167.7000109.8V662 V663 A668 L693 L694 L699 S700 K701 F712V662-I697 HydrophobicContact CG1-CD1 4.09Å; V663-I697 HydrophobicContact CG2-CD1 3.93Å; V663-I697 HydrophobicContact CG2-CG1 4.31Å; A668-I697 HydrophobicContact CB-CG2 3.46Å; A668-I697 VanDerWaalsContact CB-CG2 3.46Å; L693-I697 HydrophobicContact CD1-CD1 4.38Å; L693-I697 HydrophobicContact CD1-CG1 4.46Å; L693-I697 HydrophobicContact CG-CD1 4.06Å; L693-I697 VanDerWaalsContact O-CG1 3.31Å; L693-I697 WeakPolarHBondContact O-CG1 3.42Å; L693-I697 PolarHBondContact O-N 3.29Å; L694-I697 HydrophobicContact CD2-CD1 4.33Å; L694-I697 WeakPolarHBondContact O-CB 3.47Å; L694-I697 PolarHBondContact O-N 2.79Å; L694-I697 VanDerWaalsContact O-N 3.14Å; I697-L699 PolarHBondContact O-N 2.86Å; I697-S700 WeakPolarHBondContact O-CB 3.19Å; I697-S700 PolarHBondContact O-N 2.94Å; I697-K701 WeakPolarHBondContact O-CG 3.4Å; I697-K701 PolarHBondContact O-N 2.89Å; I697-F712 HydrophobicContact CG1-CD2 4.43Å; I697-F712 HydrophobicContact CG1-CE2 3.69Å
698D88.3Confident87.6Confident85 Ų8563.1 Ų63.146%0.45531%0.313SS..Hα-helixtrans-67.5-36.6-179.2-74-20.7000112.2L694 K701L694-D698 PolarHBondContact O-N 2.93Å; D698-K701 PolarHBondContact O-N 2.98Å; D698-K701 IonicContact OD1-NZ 3.39Å; D698-K701 PolarHBondContact OD1-NZ 2.82Å
699L89.6Confident87.4Confident88 Ų8864.1 Ų64.146%0.46132%0.318SS..Hα-helixtrans-64.3-42171.6-17266.6000111.4D695 I697 K701 Q702 F711 K715D695-L699 VanDerWaalsContact O-CB 3.31Å; D695-L699 WeakPolarHBondContact O-CB 3.43Å; D695-L699 PolarHBondContact O-N 3.27Å; I697-L699 PolarHBondContact O-N 2.86Å; L699-K701 VanDerWaalsContact C-N 3.31Å; L699-K701 PolarHBondContact O-N 3.37Å; L699-Q702 WeakPolarHBondContact O-CB 3.37Å; L699-Q702 PolarHBondContact O-N 2.97Å; L699-Q702 VanDerWaalsContact O-N 3.16Å; L699-F711 HydrophobicContact CB-CE1 4.45Å; L699-F711 HydrophobicContact CD2-CE1 3.87Å; L699-F711 HydrophobicContact CD2-CZ 3.82Å; L699-F711 HydrophobicContact CG-CE1 3.75Å; L699-F711 HydrophobicContact CG-CZ 3.96Å; L699-K715 HydrophobicContact CD2-CD 4.49Å
700S87.7Confident87.2Confident0 Ų066.9 Ų66.90%034%0.34CS..Hα-helixtrans-62.8-36.2177.2-61.80000112.1I696 I697 Q702 S703 R708 F712I696-S700 VanDerWaalsContact O-CB 3.26Å; I696-S700 WeakPolarHBondContact O-CB 3.46Å; I696-S700 PolarHBondContact O-N 2.56Å; I696-S700 PolarHBondContact O-OG 2.86Å; I697-S700 WeakPolarHBondContact O-CB 3.19Å; I697-S700 PolarHBondContact O-N 2.94Å; S700-Q702 PolarHBondContact O-N 3.01Å; S700-Q702 VanDerWaalsContact O-N 3.17Å; S700-S703 WeakPolarHBondContact O-CB 3.26Å; S700-S703 PolarHBondContact O-N 3.01Å; S700-S703 PolarHBondContact O-OG 3.46Å; S700-R708 WeakPolarHBondContact O-CG 3.37Å; S700-F712 WeakPolarHBondContact OG-CA 3.25Å; S700-F712 WeakPolarHBondContact OG-CB 3.43Å
701K86.1Confident87.1Confident75 Ų7569.1 Ų69.133%0.32635%0.349SS..Hα-helixtrans-57.7-28.9175.1-73.8173.1-178.3168.20113.2S666 A668 I697 D698 L699 S703S666-K701 PolarHBondContact O-NZ 3.09Å; A668-K701 HydrophobicContact CB-CD 4.36Å; A668-K701 HydrophobicContact CB-CG 4.19Å; I697-K701 WeakPolarHBondContact O-CG 3.4Å; I697-K701 PolarHBondContact O-N 2.89Å; D698-K701 PolarHBondContact O-N 2.98Å; D698-K701 IonicContact OD1-NZ 3.39Å; D698-K701 PolarHBondContact OD1-NZ 2.82Å; L699-K701 VanDerWaalsContact C-N 3.31Å; L699-K701 PolarHBondContact O-N 3.37Å; K701-S703 VanDerWaalsContact C-N 3.33Å
702Q86.9Confident87.1Confident166 Ų16663.3 Ų63.378%0.77632%0.324SS*.THydrogen-bonded Turntrans-78.1-16.3178-56.9-57-38.400113.7L699 S700L699-Q702 WeakPolarHBondContact O-CB 3.37Å; L699-Q702 PolarHBondContact O-N 2.97Å; L699-Q702 VanDerWaalsContact O-N 3.16Å; S700-Q702 PolarHBondContact O-N 3.01Å; S700-Q702 VanDerWaalsContact O-N 3.17Å
703S85.5Confident86.9Confident24 Ų2460.9 Ų60.917%0.16831%0.313CS..SBendtrans-76.3152.3176.871.30000111.7S700 K701 E705 R708S700-S703 WeakPolarHBondContact O-CB 3.26Å; S700-S703 PolarHBondContact O-N 3.01Å; S700-S703 PolarHBondContact O-OG 3.46Å; K701-S703 VanDerWaalsContact C-N 3.33Å; S703-E705 PolarHBondContact O-N 3.25Å; S703-R708 VanDerWaalsContact OG-CA 3.28Å; S703-R708 WeakPolarHBondContact OG-CA 3.34Å
704A84.3Confident86.7Confident63 Ų6363.4 Ų63.452%0.52133%0.331SS..  trans-57.8138.2174.900000110.3Q706 F707 R708A704-Q706 PolarHBondContact O-N 3.33Å; A704-F707 HydrophobicContact CB-CD2 4.26Å; A704-F707 PolarHBondContact O-N 3.36Å; A704-R708 PolarHBondContact O-N 3.39Å; A704-R708 VanDerWaalsContact O-N 3.17Å
705E80.5Confident86.7Confident114 Ų11463.8 Ų63.853%0.53333%0.33SS..G310 helixtrans-48.9-40.8-172.1-166.3178.4169.800112.9I670 S703 F707 R708I670-E705 WeakPolarHBondContact CD1-OE1 3.49Å; S703-E705 PolarHBondContact O-N 3.25Å; E705-F707 VanDerWaalsContact C-N 3.31Å; E705-F707 PolarHBondContact O-N 2.68Å; E705-R708 PolarHBondContact O-N 3.12Å
706Q80.5Confident86.6Confident178 Ų17860 Ų6083%0.83231%0.311SS*.G310 helixtrans-63.8-29179.5-62.7176.40.600114.4A704A704-Q706 PolarHBondContact O-N 3.33Å
707F84Confident86.3Confident133 Ų13363.9 Ų63.958%0.58333%0.328SS*.G310 helixtrans-105.5-2.3-177.4-61.4-71000112.9A704 E705 I709 A710 F711A704-F707 HydrophobicContact CB-CD2 4.26Å; A704-F707 PolarHBondContact O-N 3.36Å; E705-F707 VanDerWaalsContact C-N 3.31Å; E705-F707 PolarHBondContact O-N 2.68Å; F707-I709 PolarHBondContact O-N 2.98Å; F707-A710 PolarHBondContact O-N 2.71Å; F707-F711 VanDerWaalsContact O-CB 3.28Å; F707-F711 WeakPolarHBondContact O-CB 3.28Å; F707-F711 PolarHBondContact O-N 3.29Å
708R86.8Confident86.2Confident45 Ų4569.5 Ų69.517%0.1735%0.354CS..Hα-helixtrans-59.9-44.6-170.7-171.2176.5-64.5159.76.1113.7A668 F669 S700 S703 A704 E705 F712A668-R708 PolarHBondContact O-NH1 3.31Å; F669-R708 HydrophobicContact CD1-CG 4.25Å; F669-R708 HydrophobicContact CE1-CB 4.46Å; F669-R708 HydrophobicContact CE1-CG 3.64Å; F669-R708 HydrophobicContact CZ-CG 4.25Å; S700-R708 WeakPolarHBondContact O-CG 3.37Å; S703-R708 VanDerWaalsContact OG-CA 3.28Å; S703-R708 WeakPolarHBondContact OG-CA 3.34Å; A704-R708 PolarHBondContact O-N 3.39Å; A704-R708 VanDerWaalsContact O-N 3.17Å; E705-R708 PolarHBondContact O-N 3.12Å; R708-F712 VanDerWaalsContact O-CB 3.28Å; R708-F712 WeakPolarHBondContact O-CB 3.29Å; R708-F712 PolarHBondContact O-N 2.73Å
709I84.9Confident85.9Confident27 Ų2769.5 Ų69.514%0.13835%0.352CS..Hα-helixtrans-65-48.4178.2-57.6175.8000110.4F669 D673 I676 M680 F707 F711 F712 M713F669-I709 HydrophobicContact CD1-CG1 4.35Å; F669-I709 HydrophobicContact CE1-CG1 4.31Å; D673-I709 HydrophobicContact CB-CD1 3.73Å; D673-I709 HydrophobicContact CB-CG1 4.21Å; I676-I709 HydrophobicContact CB-CD1 4.29Å; I676-I709 HydrophobicContact CG2-CD1 4.26Å; M680-I709 HydrophobicContact SD-CG2 4.08Å; F707-I709 PolarHBondContact O-N 2.98Å; I709-F711 VanDerWaalsContact C-N 3.33Å; I709-F711 PolarHBondContact O-N 3.18Å; I709-F712 PolarHBondContact O-N 3.03Å; I709-M713 HydrophobicContact CG2-CG 4.37Å; I709-M713 WeakPolarHBondContact O-CB 3.49Å; I709-M713 VanDerWaalsContact O-CG 3.3Å; I709-M713 WeakPolarHBondContact O-CG 3.32Å; I709-M713 PolarHBondContact O-N 2.76Å
710A85.7Confident85.1Confident66 Ų6666.2 Ų66.255%0.54534%0.336SS..Hα-helixtrans-62.7-41.4-179.100000111.6F707 S714F707-A710 PolarHBondContact O-N 2.71Å; A710-S714 WeakPolarHBondContact O-CB 3.28Å; A710-S714 PolarHBondContact O-N 3.22Å
711F87.9Confident83.9Confident69 Ų6969.4 Ų69.430%0.30337%0.369SS..Hα-helixtrans-65.5-46176.7-175.9-92.6000111.9L699 F707 I709 M713 S714 K715L699-F711 HydrophobicContact CB-CE1 4.45Å; L699-F711 HydrophobicContact CD2-CE1 3.87Å; L699-F711 HydrophobicContact CD2-CZ 3.82Å; L699-F711 HydrophobicContact CG-CE1 3.75Å; L699-F711 HydrophobicContact CG-CZ 3.96Å; F707-F711 VanDerWaalsContact O-CB 3.28Å; F707-F711 WeakPolarHBondContact O-CB 3.28Å; F707-F711 PolarHBondContact O-N 3.29Å; I709-F711 VanDerWaalsContact C-N 3.33Å; I709-F711 PolarHBondContact O-N 3.18Å; F711-M713 PolarHBondContact O-N 3.14Å; F711-S714 PolarHBondContact O-N 3.25Å; F711-K715 HydrophobicContact CD1-CG 4.32Å; F711-K715 HydrophobicContact CE1-CG 3.9Å; F711-K715 HydrophobicContact CE2-CG 4.46Å; F711-K715 HydrophobicContact CZ-CD 4.45Å; F711-K715 HydrophobicContact CZ-CG 3.99Å; F711-K715 WeakPolarHBondContact O-CB 3.44Å; F711-K715 WeakPolarHBondContact O-CG 3.28Å; F711-K715 PolarHBondContact O-N 3.47Å
712F89.4Confident82.5Confident0 Ų071.2 Ų71.20%037%0.374CS..Hα-helixtrans-58.2-48.2175.4175.9-97.1000111.6V659 V663 F669 L677 L693 I696 I697 S700 R708 I709 K715 L716V659-F712 HydrophobicContact CG1-CZ 4.19Å; V663-F712 HydrophobicContact CG2-CE1 4.44Å; V663-F712 HydrophobicContact CG2-CE2 4.37Å; V663-F712 HydrophobicContact CG2-CZ 3.81Å; F669-F712 HydrophobicContact CZ-CB 3.97Å; F669-F712 HydrophobicContact CZ-CD1 4.42Å; F669-F712 HydrophobicContact CZ-CD2 4.11Å; F669-F712 AromaticContact CZ-CG 3.9Å; F669-F712 HydrophobicContact CZ-CG 3.9Å; L677-F712 HydrophobicContact CD1-CD1 3.58Å; L677-F712 HydrophobicContact CD1-CE1 3.84Å; L677-F712 HydrophobicContact CD1-CG 4.36Å; L677-F712 HydrophobicContact CG-CE1 4.49Å; L693-F712 HydrophobicContact CD1-CE2 4.04Å; L693-F712 HydrophobicContact CD1-CZ 3.9Å; I696-F712 HydrophobicContact CG2-CD2 3.72Å; I696-F712 HydrophobicContact CG2-CE2 3.9Å; I697-F712 HydrophobicContact CG1-CD2 4.43Å; I697-F712 HydrophobicContact CG1-CE2 3.69Å; S700-F712 WeakPolarHBondContact OG-CA 3.25Å; S700-F712 WeakPolarHBondContact OG-CB 3.43Å; R708-F712 VanDerWaalsContact O-CB 3.28Å; R708-F712 WeakPolarHBondContact O-CB 3.29Å; R708-F712 PolarHBondContact O-N 2.73Å; I709-F712 PolarHBondContact O-N 3.03Å; F712-K715 PolarHBondContact O-N 2.88Å; F712-L716 HydrophobicContact CE1-CD2 4.11Å; F712-L716 HydrophobicContact CZ-CD2 4.49Å; F712-L716 VanDerWaalsContact O-CB 3.31Å; F712-L716 WeakPolarHBondContact O-CB 3.39Å; F712-L716 PolarHBondContact O-N 3.08Å
713M86.4Confident80.1Confident6 Ų671.1 Ų71.13%0.0338%0.38CS..Hα-helixtrans-64.3-43.5-179.9-71.3-59.6-61.100112.2M680 L681 K684 I709 F711 K715 L716 E717M680-M713 HydrophobicContact CB-CE 4.3Å; M680-M713 HydrophobicContact CE-CE 4.4Å; M680-M713 HydrophobicContact CE-CG 4.09Å; M680-M713 HydrophobicContact SD-CG 4.46Å; L681-M713 HydrophobicContact CD2-CE 4.25Å; L681-M713 HydrophobicContact CD2-SD 4.07Å; K684-M713 HydrophobicContact CD-CE 3.86Å; K684-M713 VanDerWaalsContact NZ-CE 3.29Å; I709-M713 HydrophobicContact CG2-CG 4.37Å; I709-M713 WeakPolarHBondContact O-CB 3.49Å; I709-M713 VanDerWaalsContact O-CG 3.3Å; I709-M713 WeakPolarHBondContact O-CG 3.32Å; I709-M713 PolarHBondContact O-N 2.76Å; F711-M713 PolarHBondContact O-N 3.14Å; M713-K715 VanDerWaalsContact C-N 3.34Å; M713-K715 PolarHBondContact O-N 3.37Å; M713-L716 PolarHBondContact O-N 2.63Å; M713-L716 HydrophobicContact SD-CD2 4.46Å; M713-E717 WeakPolarHBondContact O-CG 3.22Å; M713-E717 PolarHBondContact O-N 2.79Å
714S87.7Confident77.6Confident53 Ų5379.3 Ų79.337%0.37143%0.429SS..Hα-helixtrans-60.4-43.7176.2171.60000111.6A710 F711 E717 E718A710-S714 WeakPolarHBondContact O-CB 3.28Å; A710-S714 PolarHBondContact O-N 3.22Å; F711-S714 PolarHBondContact O-N 3.25Å; S714-E717 PolarHBondContact O-N 3.45Å; S714-E718 WeakPolarHBondContact O-CG 3.34Å; S714-E718 PolarHBondContact O-N 3.02Å; S714-E718 VanDerWaalsContact O-N 3.08Å
715K89.1Confident77.3Confident55 Ų5580.2 Ų80.224%0.23942%0.424CS..Hα-helixtrans-69-35.2176.8-72.3-71.4158-150.80112.9I696 L699 F711 F712 M713 E718 E719I696-K715 HydrophobicContact CG1-CB 4.47Å; I696-K715 HydrophobicContact CG2-CB 3.74Å; L699-K715 HydrophobicContact CD2-CD 4.49Å; F711-K715 HydrophobicContact CD1-CG 4.32Å; F711-K715 HydrophobicContact CE1-CG 3.9Å; F711-K715 HydrophobicContact CE2-CG 4.46Å; F711-K715 HydrophobicContact CZ-CD 4.45Å; F711-K715 HydrophobicContact CZ-CG 3.99Å; F711-K715 WeakPolarHBondContact O-CB 3.44Å; F711-K715 WeakPolarHBondContact O-CG 3.28Å; F711-K715 PolarHBondContact O-N 3.47Å; F712-K715 PolarHBondContact O-N 2.88Å; M713-K715 VanDerWaalsContact C-N 3.34Å; M713-K715 PolarHBondContact O-N 3.37Å; K715-E718 IonicContact NZ-OE1 3.23Å; K715-E718 PolarHBondContact NZ-OE1 3.22Å; K715-E718 IonicContact NZ-OE2 3.08Å; K715-E718 PolarHBondContact NZ-OE2 3.46Å; K715-E719 WeakPolarHBondContact O-CG 3.38Å; K715-E719 PolarHBondContact O-N 3.19Å
716L87.4Confident77.1Confident6 Ų678.4 Ų78.43%0.03142%0.418CS..Hα-helixtrans-65-41.5175.5-174.867.4000111.1V659 L681 I688 L693 F712 M713 E719 S720V659-L716 HydrophobicContact CG1-CD2 4.35Å; L681-L716 HydrophobicContact CD2-CD2 3.67Å; I688-L716 HydrophobicContact CD1-CD1 3.89Å; I688-L716 HydrophobicContact CG2-CD1 4.28Å; L693-L716 HydrophobicContact CD1-CD1 4.16Å; F712-L716 HydrophobicContact CE1-CD2 4.11Å; F712-L716 HydrophobicContact CZ-CD2 4.49Å; F712-L716 VanDerWaalsContact O-CB 3.31Å; F712-L716 WeakPolarHBondContact O-CB 3.39Å; F712-L716 PolarHBondContact O-N 3.08Å; M713-L716 PolarHBondContact O-N 2.63Å; M713-L716 HydrophobicContact SD-CD2 4.46Å; L716-E719 PolarHBondContact O-N 3.01Å; L716-S720 WeakPolarHBondContact O-CB 3.18Å; L716-S720 PolarHBondContact O-N 2.96Å; L716-S720 PolarHBondContact O-OG 3.23Å; L716-S720 VanDerWaalsContact O-OG 3.11Å
717E85.8Confident76.9Confident87 Ų8772.8 Ų72.841%0.40740%0.396SS..Hα-helixtrans-66.8-42177.4-74.6171.8179.600112.4K684 M713 S714 E719 S720K684-E717 IonicContact NZ-OE1 2.8Å; K684-E717 PolarHBondContact NZ-OE1 3.18Å; M713-E717 WeakPolarHBondContact O-CG 3.22Å; M713-E717 PolarHBondContact O-N 2.79Å; S714-E717 PolarHBondContact O-N 3.45Å; E717-E719 VanDerWaalsContact C-N 3.27Å; E717-E719 PolarHBondContact O-N 3.1Å; E717-S720 WeakPolarHBondContact CA-OG 3.37Å; E717-S720 PolarHBondContact O-OG 3.26Å; E717-S720 VanDerWaalsContact O-OG 3.08Å
718E85.9Confident76.5Confident119 Ų11969.3 Ų69.356%0.55638%0.384SS*.Hα-helixtrans-60.4-35.4176.5-76.5175.1-172.600113.2S714 K715S714-E718 WeakPolarHBondContact O-CG 3.34Å; S714-E718 PolarHBondContact O-N 3.02Å; S714-E718 VanDerWaalsContact O-N 3.08Å; K715-E718 IonicContact NZ-OE1 3.23Å; K715-E718 PolarHBondContact NZ-OE1 3.22Å; K715-E718 IonicContact NZ-OE2 3.08Å; K715-E718 PolarHBondContact NZ-OE2 3.46Å
719E81.7Confident75.9Confident86 Ų8670.8 Ų70.840%0.40240%0.398SS..Hα-helixtrans-99.5-16-173.5-66.7-77.4-178.200112.9I688 K692 I696 K715 L716 E717 G721I688-E719 HydrophobicContact CD1-CB 4.43Å; K692-E719 WeakPolarHBondContact CE-OE1 3.36Å; K692-E719 WeakPolarHBondContact CE-OE2 3.43Å; K692-E719 VanDerWaalsContact NZ-CD 3.26Å; K692-E719 IonicContact NZ-OE1 2.74Å; K692-E719 PolarHBondContact NZ-OE1 3.44Å; K692-E719 IonicContact NZ-OE2 3.71Å; K692-E719 PolarHBondContact NZ-OE2 2.79Å; I696-E719 HydrophobicContact CD1-CB 4.16Å; I696-E719 HydrophobicContact CD1-CG 4.15Å; K715-E719 WeakPolarHBondContact O-CG 3.38Å; K715-E719 PolarHBondContact O-N 3.19Å; L716-E719 PolarHBondContact O-N 3.01Å; E717-E719 VanDerWaalsContact C-N 3.27Å; E717-E719 PolarHBondContact O-N 3.1Å; E719-G721 PolarHBondContact O-N 3.43Å
720S72.4Confident75.3Confident18 Ų1873.7 Ų73.713%0.12642%0.415CS..SBendtrans-73.1118.4173.459.70000109.7L716 E717 Y722L716-S720 WeakPolarHBondContact O-CB 3.18Å; L716-S720 PolarHBondContact O-N 2.96Å; L716-S720 PolarHBondContact O-OG 3.23Å; L716-S720 VanDerWaalsContact O-OG 3.11Å; E717-S720 WeakPolarHBondContact CA-OG 3.37Å; E717-S720 PolarHBondContact O-OG 3.26Å; E717-S720 VanDerWaalsContact O-OG 3.08Å; S720-Y722 PolarHBondContact O-N 3.42Å
721G62.9Low74.5Confident67 Ų6774.3 Ų74.369%0.69141%0.406SS*.SBendtrans-67.416.3179.700000116E719E719-G721 PolarHBondContact O-N 3.43Å
722Y56.6Low73.5Confident113 Ų11374.7 Ų74.744%0.44341%0.414SS..SBendtrans-106.6108170-71.3-71.8000107.6R685 M687 S720 T724R685-Y722 HydrophobicContact CB-CD2 4.45Å; M687-Y722 HydrophobicContact CB-CD2 4.05Å; M687-Y722 HydrophobicContact CB-CE2 3.75Å; S720-Y722 PolarHBondContact O-N 3.42Å; Y722-T724 PolarHBondContact O-N 2.77Å
723D36.9Very low72.2Confident165 Ų16580.9 Ų80.988%0.88245%0.448SS*.  trans-55.8125.8156.5-74.4-35.4000106.8
724T33.1Very low70.9Confident196 Ų19687.7 Ų87.7100%1.20249%0.486SS*.  trans-35.70179.838.10000115.5Y722Y722-T724 PolarHBondContact O-N 2.77Å

Retrieved 724 of 724 residues in 302.3 ms (Link to these results)

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