A0A2K5Z9G3_MANLE Loading...

diphthine methyl ester synthase

S-adenosyl-L-methionine-dependent methyltransferase that catalyzes four methylations of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine methyl ester. The four successive methylation reactions represent the second step of diphthamide biosynthesis.

AlphaFold DB , UniProt , Accession A0A2K5Z9G3, Species MANLE (Mandrillus leucophaeus, Drill), Gene DPH5, Length 285 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	95.3	Very high	95.5	Very high	46 Å²	46	14.4 Å²	14.4	23%	0.227	8%	0.077	C	C	.	.				0	149.8	0	-175	168.3	63.3	0	0	110	Y3 A72 S75 D76 V77 P104 R106	M1-Y3 HydrophobicContact CB-CE2 4.32Å; M1-Y3 HydrophobicContact CE-CD1 4.34Å; M1-Y3 HydrophobicContact CE-CE1 3.43Å; M1-Y3 VanDerWaalsContact CE-CE1 3.43Å; M1-Y3 HydrophobicContact CE-CE2 3.65Å; M1-Y3 WeakPolarHBondContact CE-OH 3.37Å; M1-A72 CarbonylContact C-O 3.51Å; M1-A72 WeakPolarHBondContact CA-O 3.29Å; M1-A72 PolarHBondContact N-O 3.25Å; M1-S75 PolarHBondContact N-O 2.89Å; M1-D76 WeakPolarHBondContact CB-OD1 3.26Å; M1-D76 PolarHBondContact N-OD1 3.31Å; M1-D76 WeakPolarHBondContact O-CA 3.41Å; M1-V77 PolarHBondContact O-N 2.97Å; M1-P104 HydrophobicContact CB-CG 4.04Å; M1-P104 HydrophobicContact CG-CB 3.89Å; M1-P104 HydrophobicContact CG-CG 3.95Å; M1-P104 WeakPolarHBondContact CG-O 3.43Å; M1-P104 HydrophobicContact SD-CB 4.17Å; M1-R106 HydrophobicContact CE-CB 4.11Å; M1-R106 HydrophobicContact SD-CB 4.33Å
2	L	98	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.8	172	180	69.7	0	0	0	111.4	L4 I68 L69 V77 F79 L94 A98 I103 P104 Y105 R106	L2-L4 HydrophobicContact CD2-CD1 3.66Å; L2-L4 HydrophobicContact CG-CD1 3.9Å; L2-I68 HydrophobicContact CD1-CG2 4.42Å; L2-L69 HydrophobicContact CD1-CD2 4.44Å; L2-L69 HydrophobicContact CD2-CD2 3.71Å; L2-V77 CarbonylContact C-O 3.43Å; L2-V77 WeakPolarHBondContact CA-O 3.42Å; L2-V77 HydrophobicContact CD1-CB 4.44Å; L2-V77 HydrophobicContact CD1-CG1 4.39Å; L2-F79 HydrophobicContact CD1-CB 4.41Å; L2-L94 HydrophobicContact CD2-CD2 4.11Å; L2-L94 HydrophobicContact CD2-CG 4.02Å; L2-A98 HydrophobicContact CD2-CB 4.05Å; L2-I103 HydrophobicContact CB-CG2 4.24Å; L2-P104 PolarHBondContact N-O 2.87Å; L2-Y105 CarbonylContact O-C 3.46Å; L2-Y105 WeakPolarHBondContact O-CA 2.85Å; L2-R106 PolarHBondContact O-N 2.85Å
3	Y	98.3	Very high	95.2	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.043	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.1	171.3	-67	-92.6	0	0	0	110.3	M1 A22 R25 C26 D76 V77 A78 F79 R106 I108	M1-Y3 HydrophobicContact CB-CE2 4.32Å; M1-Y3 HydrophobicContact CE-CD1 4.34Å; M1-Y3 HydrophobicContact CE-CE1 3.43Å; M1-Y3 VanDerWaalsContact CE-CE1 3.43Å; M1-Y3 HydrophobicContact CE-CE2 3.65Å; M1-Y3 WeakPolarHBondContact CE-OH 3.37Å; Y3-A22 HydrophobicContact CD1-CB 4.25Å; Y3-A22 HydrophobicContact CE1-CB 4.47Å; Y3-R25 VanDerWaalsContact OH-CZ 3.24Å; Y3-R25 PolarHBondContact OH-NE 2.79Å; Y3-R25 PolarHBondContact OH-NH2 2.96Å; Y3-C26 VanDerWaalsContact CD2-SG 3.6Å; Y3-D76 HydrophobicContact CE2-CB 3.93Å; Y3-V77 PolarHBondContact N-O 3.09Å; Y3-A78 CarbonylContact O-C 3.47Å; Y3-A78 WeakPolarHBondContact O-CA 3.35Å; Y3-F79 PolarHBondContact O-N 3.19Å; Y3-R106 CarbonylContact C-O 3.47Å; Y3-R106 VanDerWaalsContact CA-O 3.3Å; Y3-R106 WeakPolarHBondContact CA-O 3.42Å; Y3-R106 HydrophobicContact CD1-CB 3.89Å; Y3-R106 HydrophobicContact CD1-CG 4.36Å; Y3-R106 HydrophobicContact CE1-CB 4.01Å; Y3-R106 HydrophobicContact CE1-CG 4.37Å; Y3-I108 HydrophobicContact CD1-CD1 4.24Å
4	L	98.2	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.6	167.6	-70	84.7	0	0	0	107.7	L2 F79 P85 F86 H91 V95 R106 V107 I108	L2-L4 HydrophobicContact CD2-CD1 3.66Å; L2-L4 HydrophobicContact CG-CD1 3.9Å; L4-F79 WeakPolarHBondContact CA-O 3.32Å; L4-P85 HydrophobicContact CB-CB 4.11Å; L4-P85 HydrophobicContact CB-CG 4.22Å; L4-P85 HydrophobicContact CD2-CB 4.46Å; L4-F86 HydrophobicContact CD2-CE1 4.3Å; L4-F86 HydrophobicContact CD2-CZ 4.48Å; L4-H91 HydrophobicContact CD2-CB 4.27Å; L4-V95 HydrophobicContact CD1-CG2 3.88Å; L4-V95 HydrophobicContact CD2-CG2 3.67Å; L4-V95 HydrophobicContact CG-CG2 4.46Å; L4-R106 PolarHBondContact N-O 2.85Å; L4-V107 HydrophobicContact CB-CG2 4.45Å; L4-V107 CarbonylContact O-C 3.47Å; L4-V107 WeakPolarHBondContact O-CA 3.43Å; L4-I108 PolarHBondContact O-N 2.99Å
5	I	98.4	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.2	-169.1	-49.2	-179.3	0	0	0	109.7	I15 A22 V23 A78 F79 L80 V81 I108	I5-I15 HydrophobicContact CG2-CD1 4.11Å; I5-I15 HydrophobicContact CG2-CG1 4.32Å; I5-A22 HydrophobicContact CD1-CB 3.8Å; I5-V23 HydrophobicContact CD1-CG2 3.77Å; I5-A78 HydrophobicContact CD1-CB 3.97Å; I5-F79 PolarHBondContact N-O 2.89Å; I5-L80 HydrophobicContact CB-CD2 3.82Å; I5-L80 HydrophobicContact CD1-CD2 4.05Å; I5-L80 HydrophobicContact CG1-CD2 4.29Å; I5-L80 HydrophobicContact CG2-CD2 4.37Å; I5-L80 WeakPolarHBondContact O-CA 3.3Å; I5-V81 PolarHBondContact O-N 2.75Å; I5-I108 HydrophobicContact CD1-CD1 4.24Å; I5-I108 HydrophobicContact CG1-CB 4.38Å; I5-I108 HydrophobicContact CG1-CD1 4.12Å; I5-I108 HydrophobicContact CG2-CB 4.22Å; I5-I108 HydrophobicContact CG2-CG2 4.31Å
6	G	97.5	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.5	171	0	0	0	0	0	111.8	V81 G83 I108 N110	G6-V81 CarbonylContact C-O 3.4Å; G6-V81 WeakPolarHBondContact CA-O 3.37Å; G6-G83 CarbonylContact C-O 3.52Å; G6-G83 VanDerWaalsContact C-O 3.3Å; G6-G83 WeakPolarHBondContact CA-O 3.23Å; G6-I108 PolarHBondContact N-O 3.27Å; G6-N110 WeakPolarHBondContact O-CB 3.48Å; G6-N110 PolarHBondContact O-ND2 2.81Å
7	L	96.2	Very high	95.8	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	17%	0.166	C	C	.	.			trans	-89.6	-13.1	178.9	-61.6	-173	0	0	0	113.5	D14 I15 L31 L38 L45 Y49 L80 V81 G83 N110	L7-D14 CarbonylContact O-C 3.56Å; L7-D14 VanDerWaalsContact O-C 3.24Å; L7-D14 VanDerWaalsContact O-CB 3.27Å; L7-D14 WeakPolarHBondContact O-CB 3.48Å; L7-I15 HydrophobicContact CD2-CB 4.45Å; L7-I15 HydrophobicContact CD2-CD1 3.77Å; L7-I15 HydrophobicContact CD2-CG1 4.13Å; L7-I15 PolarHBondContact O-N 3.5Å; L7-I15 VanDerWaalsContact O-N 3.16Å; L7-L31 HydrophobicContact CD1-CD1 3.79Å; L7-L38 HydrophobicContact CD1-CD2 3.9Å; L7-L45 HydrophobicContact CD1-CD1 4.48Å; L7-Y49 HydrophobicContact CD2-CE2 4.37Å; L7-Y49 WeakPolarHBondContact CD2-OH 3.46Å; L7-L80 HydrophobicContact CD1-CB 3.95Å; L7-L80 HydrophobicContact CD2-CB 4.03Å; L7-L80 HydrophobicContact CD2-CD1 4.19Å; L7-L80 HydrophobicContact CD2-CD2 4.26Å; L7-L80 HydrophobicContact CD2-CG 4.38Å; L7-L80 HydrophobicContact CG-CB 4.07Å; L7-V81 PolarHBondContact N-O 2.89Å; L7-G83 PolarHBondContact N-O 3.31Å; L7-G83 VanDerWaalsContact N-O 3.16Å; L7-N110 VanDerWaalsContact C-ND2 3.27Å
8	G	95.1	Very high	95.9	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	78.1	-163.9	-169.7	0	0	0	0	0	111.4	G83 N110	G8-G83 PolarHBondContact N-O 2.88Å; G8-G83 VanDerWaalsContact N-O 3.13Å; G8-G83 WeakPolarHBondContact O-CA 3.4Å; G8-G83 PolarHBondContact O-N 2.68Å; G8-N110 PolarHBondContact N-ND2 3.49Å; G8-N110 VanDerWaalsContact N-ND2 3.18Å
9	L	93.1	Very high	96	Very high	34 Å²	34	33.8 Å²	33.8	18%	0.178	18%	0.175	C	C	.	.	S	Bend	trans	-116.5	-28.8	-159.2	-58.7	174.3	0	0	0	114.6	D14 A111 A116 V225	L9-D14 PolarHBondContact N-OD2 2.97Å; L9-D14 VanDerWaalsContact N-OD2 3.16Å; L9-A111 HydrophobicContact CD1-CB 4.4Å; L9-A111 HydrophobicContact CG-CB 4.44Å; L9-A116 HydrophobicContact CD1-CB 3.43Å; L9-A116 VanDerWaalsContact CD1-CB 3.43Å; L9-V225 WeakPolarHBondContact CB-O 3.37Å; L9-V225 HydrophobicContact CD1-CG1 4.38Å
10	G	88.9	Confident	96.2	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	17%	0.173	C	C	.	.	S	Bend	trans	-85.5	-104.1	179.5	0	0	0	0	0	111.3	D14 T39 G226	G10-D14 VanDerWaalsContact CA-OD2 3.3Å; G10-D14 WeakPolarHBondContact CA-OD2 3.3Å; G10-D14 PolarHBondContact N-OD2 3.33Å; G10-T39 WeakPolarHBondContact O-CB 3.5Å; G10-T39 WeakPolarHBondContact O-CG2 3.35Å; G10-T39 PolarHBondContact O-OG1 3.05Å; G10-G226 WeakPolarHBondContact CA-O 3.39Å
11	D	91.1	Very high	96.3	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	-114.1	-168.3	-168.2	79.3	1.9	0	0	0	114	K13 D14 V40	D11-K13 PolarHBondContact O-N 3.22Å; D11-K13 VanDerWaalsContact O-N 3.14Å; D11-K13 WeakPolarHBondContact OD1-CA 3.31Å; D11-K13 VanDerWaalsContact OD1-CB 3.24Å; D11-K13 WeakPolarHBondContact OD1-CB 3.31Å; D11-K13 PolarHBondContact OD1-N 2.83Å; D11-D14 PolarHBondContact O-N 3.29Å; D11-V40 HydrophobicContact CB-CG1 3.99Å
12	A	93.2	Very high	96.4	Very high	9 Å²	9	35.4 Å²	35.4	7%	0.074	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.2	178.1	0	0	0	0	0	114.4	I15 V40 L45 F48 Y49	A12-I15 WeakPolarHBondContact O-CG2 3.45Å; A12-V40 HydrophobicContact CB-CG2 4.29Å; A12-L45 HydrophobicContact CB-CD2 3.56Å; A12-F48 HydrophobicContact CB-CB 4.05Å; A12-F48 HydrophobicContact CB-CD1 3.89Å; A12-F48 HydrophobicContact CB-CG 4.11Å; A12-F48 VanDerWaalsContact O-CD1 3.29Å; A12-F48 WeakPolarHBondContact O-CD1 3.38Å; A12-F48 VanDerWaalsContact O-CE1 3.25Å; A12-F48 WeakPolarHBondContact O-CE1 3.4Å; A12-Y49 WeakPolarHBondContact O-CE1 3.39Å; A12-Y49 PolarHBondContact O-OH 2.8Å
13	K	94.9	Very high	96.4	Very high	140 Å²	140	35.4 Å²	35.4	61%	0.609	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.7	-175	-58.1	175	-177.8	163.8	0	113	D11 I15 F48	D11-K13 PolarHBondContact O-N 3.22Å; D11-K13 VanDerWaalsContact O-N 3.14Å; D11-K13 WeakPolarHBondContact OD1-CA 3.31Å; D11-K13 VanDerWaalsContact OD1-CB 3.24Å; D11-K13 WeakPolarHBondContact OD1-CB 3.31Å; D11-K13 PolarHBondContact OD1-N 2.83Å; K13-I15 PolarHBondContact O-N 3.13Å; K13-F48 HydrophobicContact CB-CZ 4.39Å; K13-F48 HydrophobicContact CG-CE1 4.16Å; K13-F48 HydrophobicContact CG-CE2 3.96Å; K13-F48 HydrophobicContact CG-CZ 3.74Å
14	D	95.5	Very high	96.4	Very high	58 Å²	58	40.9 Å²	40.9	31%	0.31	20%	0.201	S	C	.	.			trans	-66.4	-17.6	173.9	-85.1	13.9	0	0	0	112.8	L7 L9 G10 D11 T16 N110	L7-D14 CarbonylContact O-C 3.56Å; L7-D14 VanDerWaalsContact O-C 3.24Å; L7-D14 VanDerWaalsContact O-CB 3.27Å; L7-D14 WeakPolarHBondContact O-CB 3.48Å; L9-D14 PolarHBondContact N-OD2 2.97Å; L9-D14 VanDerWaalsContact N-OD2 3.16Å; G10-D14 VanDerWaalsContact CA-OD2 3.3Å; G10-D14 WeakPolarHBondContact CA-OD2 3.3Å; G10-D14 PolarHBondContact N-OD2 3.33Å; D11-D14 PolarHBondContact O-N 3.29Å; D14-T16 PolarHBondContact O-N 3.44Å; D14-N110 PolarHBondContact O-ND2 3.46Å; D14-N110 PolarHBondContact O-OD1 2.96Å
15	I	97.3	Very high	96.3	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.051	22%	0.222	C	C	.	.	S	Bend	trans	-56.5	133.1	171.2	-164.1	173.6	0	0	0	109.7	I5 L7 A12 K13 L20 V23 F48 Y49	I5-I15 HydrophobicContact CG2-CD1 4.11Å; I5-I15 HydrophobicContact CG2-CG1 4.32Å; L7-I15 HydrophobicContact CD2-CB 4.45Å; L7-I15 HydrophobicContact CD2-CD1 3.77Å; L7-I15 HydrophobicContact CD2-CG1 4.13Å; L7-I15 PolarHBondContact O-N 3.5Å; L7-I15 VanDerWaalsContact O-N 3.16Å; A12-I15 WeakPolarHBondContact O-CG2 3.45Å; K13-I15 PolarHBondContact O-N 3.13Å; I15-L20 HydrophobicContact CG2-CB 4.05Å; I15-V23 HydrophobicContact CD1-CG2 4.03Å; I15-F48 HydrophobicContact CG2-CE1 4.4Å; I15-Y49 HydrophobicContact CB-CE1 4.38Å; I15-Y49 HydrophobicContact CD1-CE1 4.15Å; I15-Y49 HydrophobicContact CG2-CE1 3.75Å
16	T	98.4	Very high	96.3	Very high	45 Å²	45	46.2 Å²	46.2	28%	0.276	22%	0.222	S	C	.	.			trans	-61.3	151.5	174.4	68.4	0	0	0	0	110.6	D14 K18 G19 L20 I108	D14-T16 PolarHBondContact O-N 3.44Å; T16-K18 PolarHBondContact O-N 3.39Å; T16-G19 WeakPolarHBondContact O-CA 3.41Å; T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 PolarHBondContact OG1-N 3.46Å; T16-L20 PolarHBondContact O-N 3.22Å; T16-I108 WeakPolarHBondContact OG1-CG2 3.38Å
17	V	98.5	Very high	96.2	Very high	108 Å²	108	49 Å²	49	66%	0.655	24%	0.241	S	C	*	.	H	α-helix	trans	-51.5	-42.7	173.8	177.2	0	0	0	0	111.1	G19 L20 E21	V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3.07Å; V17-L20 PolarHBondContact O-N 3.3Å; V17-E21 WeakPolarHBondContact O-CG 3.43Å; V17-E21 PolarHBondContact O-N 3.41Å
18	K	98.5	Very high	96.2	Very high	115 Å²	115	51.4 Å²	51.4	50%	0.5	25%	0.25	S	C	.	.	H	α-helix	trans	-61	-39.4	176	-178.2	-178.7	-80.2	165.8	0	112.3	T16 A22 I108	T16-K18 PolarHBondContact O-N 3.39Å; K18-A22 WeakPolarHBondContact O-CB 3.3Å; K18-A22 PolarHBondContact O-N 3.16Å; K18-A22 VanDerWaalsContact O-N 3.16Å; K18-I108 HydrophobicContact CB-CG2 4.41Å; K18-I108 HydrophobicContact CD-CG1 4.3Å; K18-I108 HydrophobicContact CD-CG2 4.34Å; K18-I108 HydrophobicContact CG-CD1 4.03Å; K18-I108 HydrophobicContact CG-CG1 4.32Å; K18-I108 HydrophobicContact CG-CG2 4.27Å
19	G	98.4	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-50.4	175	0	0	0	0	0	111.5	T16 V17 E21 A22 V23	T16-G19 WeakPolarHBondContact O-CA 3.41Å; T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 PolarHBondContact OG1-N 3.46Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3.07Å; G19-E21 PolarHBondContact O-N 3.44Å; G19-A22 WeakPolarHBondContact O-CB 3.47Å; G19-A22 PolarHBondContact O-N 3.18Å; G19-A22 VanDerWaalsContact O-N 3.08Å; G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.83Å
20	L	98.4	Very high	96.5	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-44.7	179.9	-177.5	59	0	0	0	112.6	I15 T16 V17 A22 V23 R24 F48 Y49	I15-L20 HydrophobicContact CG2-CB 4.05Å; T16-L20 PolarHBondContact O-N 3.22Å; V17-L20 PolarHBondContact O-N 3.3Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.93Å; L20-V23 PolarHBondContact O-N 3.18Å; L20-R24 WeakPolarHBondContact O-CG 3.49Å; L20-R24 PolarHBondContact O-N 3.03Å; L20-R24 VanDerWaalsContact O-N 3.09Å; L20-F48 HydrophobicContact CD1-CE1 4.4Å; L20-F48 HydrophobicContact CD2-CE1 4.13Å; L20-F48 HydrophobicContact CD2-CZ 4.34Å; L20-Y49 HydrophobicContact CD1-CD1 3.46Å; L20-Y49 VanDerWaalsContact CD1-CD1 3.46Å; L20-Y49 HydrophobicContact CD1-CE1 4.11Å; L20-Y49 HydrophobicContact CD1-CG 4.26Å
21	E	98.4	Very high	96.8	Very high	121 Å²	121	50.3 Å²	50.3	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-60.5	-40.4	174.7	-73.1	176	174	0	0	112	V17 G19 R25	V17-E21 WeakPolarHBondContact O-CG 3.43Å; V17-E21 PolarHBondContact O-N 3.41Å; G19-E21 PolarHBondContact O-N 3.44Å; E21-R25 PolarHBondContact O-N 2.87Å
22	A	98.2	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-44.9	176.6	0	0	0	0	0	111.9	Y3 I5 K18 G19 L20 R24 R25 C26 I108	Y3-A22 HydrophobicContact CD1-CB 4.25Å; Y3-A22 HydrophobicContact CE1-CB 4.47Å; I5-A22 HydrophobicContact CD1-CB 3.8Å; K18-A22 WeakPolarHBondContact O-CB 3.3Å; K18-A22 PolarHBondContact O-N 3.16Å; K18-A22 VanDerWaalsContact O-N 3.16Å; G19-A22 WeakPolarHBondContact O-CB 3.47Å; G19-A22 PolarHBondContact O-N 3.18Å; G19-A22 VanDerWaalsContact O-N 3.08Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.93Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 2.77Å; A22-R25 VanDerWaalsContact CB-NH2 3.31Å; A22-R25 WeakPolarHBondContact O-CG 3.47Å; A22-R25 PolarHBondContact O-N 3.32Å; A22-C26 PolarHBondContact O-N 2.92Å; A22-C26 PolarHBondContact O-SG 3.08Å; A22-I108 HydrophobicContact CB-CD1 3.6Å
23	V	98.1	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-47	177.5	170.4	0	0	0	0	111.3	I5 I15 G19 L20 R25 C26 V29 Y49 R51 L80	I5-V23 HydrophobicContact CD1-CG2 3.77Å; I15-V23 HydrophobicContact CD1-CG2 4.03Å; G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.83Å; L20-V23 PolarHBondContact O-N 3.18Å; V23-R25 VanDerWaalsContact C-N 3.28Å; V23-R25 PolarHBondContact O-N 3.39Å; V23-C26 PolarHBondContact O-N 3.19Å; V23-V29 HydrophobicContact CG1-CG1 4.09Å; V23-V29 HydrophobicContact CG1-CG2 4.17Å; V23-Y49 HydrophobicContact CG1-CD2 4.2Å; V23-Y49 HydrophobicContact CG1-CG 4.18Å; V23-R51 HydrophobicContact CG1-CB 4.34Å; V23-R51 HydrophobicContact CG1-CG 4.11Å; V23-L80 HydrophobicContact CG2-CD1 4.48Å; V23-L80 HydrophobicContact CG2-CD2 3.61Å
24	R	97.9	Very high	95	Very high	126 Å²	126	43 Å²	43	48%	0.475	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-32.3	-177	-76.7	174.9	175	168	2	113.7	L20 A22 F48 Y49 R51	L20-R24 WeakPolarHBondContact O-CG 3.49Å; L20-R24 PolarHBondContact O-N 3.03Å; L20-R24 VanDerWaalsContact O-N 3.09Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 2.77Å; R24-F48 PolarHBondContact NH2-O 2.84Å; R24-Y49 WeakPolarHBondContact CG-O 3.35Å; R24-Y49 PolarHBondContact NE-O 3.22Å; R24-R51 PolarHBondContact O-NH1 3.33Å; R24-R51 VanDerWaalsContact O-NH1 3.09Å
25	R	96.3	Very high	93.5	Very high	113 Å²	113	42.1 Å²	42.1	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-85.2	-25.5	179	67.2	162.9	178.5	-98.4	-13.3	114.8	Y3 E21 A22 V23 D76	Y3-R25 VanDerWaalsContact OH-CZ 3.24Å; Y3-R25 PolarHBondContact OH-NE 2.79Å; Y3-R25 PolarHBondContact OH-NH2 2.96Å; E21-R25 PolarHBondContact O-N 2.87Å; A22-R25 VanDerWaalsContact CB-NH2 3.31Å; A22-R25 WeakPolarHBondContact O-CG 3.47Å; A22-R25 PolarHBondContact O-N 3.32Å; V23-R25 VanDerWaalsContact C-N 3.28Å; V23-R25 PolarHBondContact O-N 3.39Å; R25-D76 IonicContact NE-OD2 3.78Å
26	C	97.5	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.			trans	-64.9	143.8	-175.2	-71.9	0	0	0	0	110.7	Y3 A22 V23 V29 R51 D76 A78	Y3-C26 VanDerWaalsContact CD2-SG 3.6Å; A22-C26 PolarHBondContact O-N 2.92Å; A22-C26 PolarHBondContact O-SG 3.08Å; V23-C26 PolarHBondContact O-N 3.19Å; C26-V29 HydrophobicContact CB-CG2 4.24Å; C26-R51 PolarHBondContact O-NH1 3.18Å; C26-R51 PolarHBondContact O-NH2 2.73Å; C26-D76 CarbonylContact C-O 3.01Å; C26-D76 WeakPolarHBondContact CA-O 3.32Å; C26-D76 HydrophobicContact CB-CB 4.43Å; C26-D76 WeakPolarHBondContact CB-O 3.43Å; C26-A78 HydrophobicContact CB-CB 4.01Å
27	S	96.3	Very high	91.2	Very high	59 Å²	59	43.1 Å²	43.1	41%	0.413	22%	0.216	S	C	.	.	S	Bend	trans	-71	-39.6	178	65.8	0	0	0	0	111.4	R51 S75 D76	S27-R51 PolarHBondContact O-NH2 3.36Å; S27-S75 PolarHBondContact OG-OG 3.1Å; S27-D76 PolarHBondContact N-O 2.71Å; S27-D76 PolarHBondContact OG-O 2.82Å
28	R	96.7	Very high	90	Very high	52 Å²	52	39.6 Å²	39.6	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.1	176.3	-70.7	170.4	-69	163.5	-2.4	110.3	Y30 I54 K70 S75 V77 A78	R28-Y30 HydrophobicContact CB-CE2 4.01Å; R28-I54 HydrophobicContact CB-CD1 4.33Å; R28-I54 HydrophobicContact CG-CD1 4.34Å; R28-K70 PolarHBondContact NH1-O 3.38Å; R28-K70 PolarHBondContact NH2-O 3.47Å; R28-S75 PolarHBondContact NH2-OG 3.26Å; R28-V77 HydrophobicContact CB-CG1 4.36Å; R28-V77 WeakPolarHBondContact O-CA 3.18Å; R28-A78 PolarHBondContact O-N 3.32Å
29	V	97.6	Very high	88.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110	-179.2	-171.1	0	0	0	0	107.7	V23 C26 R51 L53 I54 A78 L80	V23-V29 HydrophobicContact CG1-CG1 4.09Å; V23-V29 HydrophobicContact CG1-CG2 4.17Å; C26-V29 HydrophobicContact CB-CG2 4.24Å; V29-R51 HydrophobicContact CG2-CB 4.3Å; V29-L53 HydrophobicContact CB-CD2 3.85Å; V29-L53 HydrophobicContact CG1-CD2 3.33Å; V29-L53 WeakPolarHBondContact O-CA 3.18Å; V29-I54 PolarHBondContact O-N 2.87Å; V29-A78 CarbonylContact C-O 3.47Å; V29-A78 WeakPolarHBondContact CA-O 3.27Å; V29-A78 HydrophobicContact CB-CB 4.48Å; V29-A78 HydrophobicContact CG1-CB 4.05Å; V29-A78 HydrophobicContact CG2-CB 4.36Å; V29-L80 HydrophobicContact CG1-CD1 3.52Å; V29-L80 HydrophobicContact CG1-CD2 4.12Å; V29-L80 HydrophobicContact CG1-CG 3.75Å
30	Y	96.8	Very high	87.7	Confident	17 Å²	17	39.3 Å²	39.3	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.7	175.6	-69	-96.5	0	0	0	109.2	R28 I54 A56 N67 I68 V77 A78 L80	R28-Y30 HydrophobicContact CB-CE2 4.01Å; Y30-I54 CarbonylContact C-O 3.56Å; Y30-I54 VanDerWaalsContact CA-O 3.23Å; Y30-I54 WeakPolarHBondContact CA-O 3.15Å; Y30-I54 HydrophobicContact CD1-CB 3.89Å; Y30-I54 HydrophobicContact CD1-CG2 3.75Å; Y30-I54 HydrophobicContact CE1-CB 4.11Å; Y30-I54 HydrophobicContact CE1-CD1 4.27Å; Y30-I54 HydrophobicContact CE1-CG2 3.66Å; Y30-I54 HydrophobicContact CE2-CD1 4.33Å; Y30-I54 HydrophobicContact CG-CB 4.36Å; Y30-A56 HydrophobicContact CD1-CB 4.35Å; Y30-N67 PolarHBondContact OH-O 3.32Å; Y30-I68 HydrophobicContact CD1-CG1 3.95Å; Y30-I68 HydrophobicContact CD2-CG2 4.08Å; Y30-I68 HydrophobicContact CE1-CG1 4Å; Y30-I68 HydrophobicContact CE2-CG2 4.37Å; Y30-I68 HydrophobicContact CG-CG1 4.24Å; Y30-I68 HydrophobicContact CG-CG2 4.34Å; Y30-V77 HydrophobicContact CD2-CG1 3.82Å; Y30-V77 HydrophobicContact CE2-CG1 3.85Å; Y30-A78 PolarHBondContact N-O 3.28Å; Y30-L80 WeakPolarHBondContact O-CB 3.44Å; Y30-L80 WeakPolarHBondContact O-CG 3.2Å; Y30-L80 PolarHBondContact O-N 3.03Å
31	L	94.4	Very high	87.1	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.4	172.9	171.2	63.5	0	0	0	108.5	L7 L38 K42 L45 L53 I54 L55 A56 L80	L7-L31 HydrophobicContact CD1-CD1 3.79Å; L31-L38 HydrophobicContact CD1-CD1 3.88Å; L31-L38 HydrophobicContact CD2-CD1 3.66Å; L31-L38 HydrophobicContact CG-CD1 4.29Å; L31-K42 HydrophobicContact CD2-CG 4.47Å; L31-L45 HydrophobicContact CD1-CD1 4.5Å; L31-L45 HydrophobicContact CD2-CD1 3.85Å; L31-L53 HydrophobicContact CB-CB 4.25Å; L31-L53 HydrophobicContact CB-CD1 4.3Å; L31-L53 HydrophobicContact CD2-CD1 3.91Å; L31-I54 PolarHBondContact N-O 3.26Å; L31-L55 HydrophobicContact CB-CD2 4.29Å; L31-L55 HydrophobicContact CD2-CD2 3.89Å; L31-L55 HydrophobicContact CG-CD2 4.22Å; L31-L55 WeakPolarHBondContact O-CA 3.35Å; L31-A56 PolarHBondContact O-N 3.26Å; L31-L80 HydrophobicContact CD1-CB 4.02Å
32	E	88.4	Confident	86.6	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.3	171.7	-166.7	-155.9	178.6	0	0	111.2	Y34 T35 A56 F79 L80 H91	E32-Y34 HydrophobicContact CG-CD1 3.64Å; E32-Y34 HydrophobicContact CG-CE1 3.52Å; E32-Y34 WeakPolarHBondContact OE1-CD1 3.23Å; E32-Y34 WeakPolarHBondContact OE1-CE1 3.44Å; E32-T35 VanDerWaalsContact OE1-CB 3.26Å; E32-T35 WeakPolarHBondContact OE1-CB 3.46Å; E32-T35 WeakPolarHBondContact OE1-CG2 3.5Å; E32-T35 PolarHBondContact OE1-OG1 3.2Å; E32-T35 PolarHBondContact OE2-OG1 3.02Å; E32-A56 WeakPolarHBondContact CA-O 3.42Å; E32-F79 HydrophobicContact CB-CE1 4.46Å; E32-F79 HydrophobicContact CB-CE2 4.27Å; E32-F79 HydrophobicContact CB-CZ 3.82Å; E32-F79 HydrophobicContact CG-CZ 4.04Å; E32-L80 WeakPolarHBondContact CB-O 3.3Å; E32-L80 PolarHBondContact N-O 2.78Å; E32-H91 VanDerWaalsContact CD-NE2 3.26Å; E32-H91 IonicContact OE1-CE1 2.76Å; E32-H91 PolarHBondContact OE1-CE1 2.81Å; E32-H91 IonicContact OE1-NE2 2.72Å; E32-H91 PolarHBondContact OE1-NE2 2.89Å; E32-H91 IonicContact OE2-CE1 3.28Å; E32-H91 PolarHBondContact OE2-CE1 3.06Å; E32-H91 IonicContact OE2-NE2 3.86Å; E32-H91 PolarHBondContact OE2-NE2 3.21Å
33	A	78.4	Confident	86.3	Confident	38 Å²	38	43.3 Å²	43.3	31%	0.314	23%	0.23	S	C	.	.			trans	-127.1	27.1	-174.6	0	0	0	0	0	114.6	L55 A56	A33-L55 HydrophobicContact CB-CD2 4.33Å; A33-A56 PolarHBondContact N-O 2.99Å; A33-A56 VanDerWaalsContact N-O 3.09Å
34	Y	74.6	Confident	86	Confident	10 Å²	10	45.2 Å²	45.2	4%	0.039	25%	0.246	C	C	.	.	S	Bend	trans	-137.3	-20.5	-175.6	75.3	-90.3	0	0	0	117.1	E32 R58 V61 E62	E32-Y34 HydrophobicContact CG-CD1 3.64Å; E32-Y34 HydrophobicContact CG-CE1 3.52Å; E32-Y34 WeakPolarHBondContact OE1-CD1 3.23Å; E32-Y34 WeakPolarHBondContact OE1-CE1 3.44Å; Y34-R58 HydrophobicContact CD1-CB 4.08Å; Y34-R58 VanDerWaalsContact CD1-N 3.33Å; Y34-R58 HydrophobicContact CD2-CB 3.84Å; Y34-R58 HydrophobicContact CD2-CG 4.04Å; Y34-R58 HydrophobicContact CE1-CB 4.2Å; Y34-R58 HydrophobicContact CE2-CB 3.96Å; Y34-R58 HydrophobicContact CE2-CG 3.76Å; Y34-R58 HydrophobicContact CG-CB 3.88Å; Y34-V61 HydrophobicContact CE1-CB 3.8Å; Y34-V61 HydrophobicContact CE1-CG1 4.26Å; Y34-V61 HydrophobicContact CE1-CG2 3.82Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.39Å; Y34-E62 PolarHBondContact OH-OE1 3.04Å
35	T	63.8	Low	85.8	Confident	39 Å²	39	39.3 Å²	39.3	24%	0.239	22%	0.224	C	C	.	.	S	Bend	trans	-81.5	-20.7	176.1	48.7	0	0	0	0	113.7	E32 T89 I165	E32-T35 VanDerWaalsContact OE1-CB 3.26Å; E32-T35 WeakPolarHBondContact OE1-CB 3.46Å; E32-T35 WeakPolarHBondContact OE1-CG2 3.5Å; E32-T35 PolarHBondContact OE1-OG1 3.2Å; E32-T35 PolarHBondContact OE2-OG1 3.02Å; T35-T89 HydrophobicContact CG2-CG2 4.21Å; T35-I165 WeakPolarHBondContact O-CD1 3.13Å
36	S	72.9	Confident	85.8	Confident	28 Å²	28	36 Å²	36	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	-164.4	177.7	-177.9	-174.5	0	0	0	0	110.2	V82 L249	S36-V82 WeakPolarHBondContact OG-CG1 3.26Å; S36-L249 WeakPolarHBondContact OG-CD1 3.19Å
37	V	75.4	Confident	85.7	Confident	49 Å²	49	44.2 Å²	44.2	30%	0.297	25%	0.252	S	S	.	.			trans	-116.6	132.1	179.8	-173.7	0	0	0	0	108.9	Y187 L249	V37-Y187 HydrophobicContact CG2-CD1 3.92Å; V37-Y187 HydrophobicContact CG2-CE1 3.04Å; V37-Y187 HydrophobicContact CG2-CE2 4.21Å; V37-Y187 WeakPolarHBondContact CG2-OH 3.43Å; V37-L249 HydrophobicContact CB-CD1 4.36Å; V37-L249 HydrophobicContact CB-CG 4.31Å; V37-L249 HydrophobicContact CG2-CD1 4.43Å; V37-L249 HydrophobicContact CG2-CD2 4.1Å; V37-L249 HydrophobicContact CG2-CG 4.26Å
38	L	72.7	Confident	85.7	Confident	34 Å²	34	44.9 Å²	44.9	18%	0.178	25%	0.247	C	C	.	.			trans	-77.1	132.9	166.4	-69.3	155.2	0	0	0	108.9	L7 L31 V40 L45 V82	L7-L38 HydrophobicContact CD1-CD2 3.9Å; L31-L38 HydrophobicContact CD1-CD1 3.88Å; L31-L38 HydrophobicContact CD2-CD1 3.66Å; L31-L38 HydrophobicContact CG-CD1 4.29Å; L38-V40 WeakPolarHBondContact CB-O 3.4Å; L38-V40 PolarHBondContact O-N 2.93Å; L38-L45 HydrophobicContact CD1-CD1 3.31Å; L38-L45 HydrophobicContact CD2-CD1 4.08Å; L38-L45 HydrophobicContact CG-CD1 4.25Å; L38-V82 HydrophobicContact CD1-CG2 4.46Å; L38-V82 HydrophobicContact CD2-CG2 3.73Å; L38-V82 HydrophobicContact CG-CG2 3.67Å
39	T	71.9	Confident	85.7	Confident	72 Å²	72	42.4 Å²	42.4	44%	0.442	24%	0.238	S	C	.	.	S	Bend	trans	-61.7	-25.3	173.1	65.4	0	0	0	0	111.8	G10 A227	G10-T39 WeakPolarHBondContact O-CB 3.5Å; G10-T39 WeakPolarHBondContact O-CG2 3.35Å; G10-T39 PolarHBondContact O-OG1 3.05Å; T39-A227 HydrophobicContact CG2-CB 4.15Å
40	V	77.5	Confident	85.7	Confident	36 Å²	36	45.2 Å²	45.2	22%	0.218	27%	0.267	C	S	.	.	S	Bend	trans	-109.5	139.8	177.9	-61.6	0	0	0	0	110.9	D11 A12 L38 A44 L45	D11-V40 HydrophobicContact CB-CG1 3.99Å; A12-V40 HydrophobicContact CB-CG2 4.29Å; L38-V40 WeakPolarHBondContact CB-O 3.4Å; L38-V40 PolarHBondContact O-N 2.93Å; V40-A44 HydrophobicContact CB-CB 4.05Å; V40-A44 HydrophobicContact CG2-CB 4.48Å; V40-L45 HydrophobicContact CG2-CD2 3.93Å; V40-L45 HydrophobicContact CG2-CG 4.14Å
41	G	84.3	Confident	85.7	Confident	43 Å²	43	48 Å²	48	44%	0.443	28%	0.277	S	S	.	.			trans	-61.3	162.5	176.3	0	0	0	0	0	112.9	E43 A44 L45	G41-E43 PolarHBondContact O-N 3.39Å; G41-E43 VanDerWaalsContact O-N 3.17Å; G41-A44 PolarHBondContact O-N 2.86Å; G41-A44 VanDerWaalsContact O-N 3.16Å; G41-L45 PolarHBondContact O-N 2.67Å
42	K	89.4	Confident	85.8	Confident	57 Å²	57	56.2 Å²	56.2	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-51.7	-39.8	177.3	-179.3	-162.3	175.2	-162.8	0	111.9	L31 A44 L45 E46 L53 L55	L31-K42 HydrophobicContact CD2-CG 4.47Å; K42-A44 VanDerWaalsContact C-N 3.34Å; K42-A44 PolarHBondContact O-N 3.29Å; K42-L45 WeakPolarHBondContact O-CB 3.16Å; K42-L45 PolarHBondContact O-N 3.22Å; K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 HydrophobicContact CG-CG 4.42Å; K42-E46 IonicContact NZ-OE1 3.16Å; K42-E46 PolarHBondContact NZ-OE1 3.29Å; K42-E46 PolarHBondContact O-N 3.07Å; K42-L53 WeakPolarHBondContact CE-O 3.25Å; K42-L53 HydrophobicContact CG-CB 4.24Å; K42-L53 HydrophobicContact CG-CD1 4.4Å; K42-L53 PolarHBondContact NZ-O 3.16Å; K42-L55 HydrophobicContact CD-CD1 4.24Å; K42-L55 HydrophobicContact CD-CD2 4.03Å; K42-L55 HydrophobicContact CD-CG 4.03Å; K42-L55 HydrophobicContact CG-CD2 4.27Å
43	E	91.2	Very high	86.1	Confident	130 Å²	130	56.4 Å²	56.4	61%	0.607	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-41	-176	-64.7	68.4	-149.7	0	0	111.5	G41 L45 E46 E47	G41-E43 PolarHBondContact O-N 3.39Å; G41-E43 VanDerWaalsContact O-N 3.17Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.08Å; E43-E46 PolarHBondContact O-N 3.16Å; E43-E47 WeakPolarHBondContact O-CB 3.45Å; E43-E47 PolarHBondContact O-N 2.78Å
44	A	91.8	Very high	86.9	Confident	41 Å²	41	58 Å²	58	34%	0.339	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-36.3	177.2	0	0	0	0	0	111.8	V40 G41 K42 F48	V40-A44 HydrophobicContact CB-CB 4.05Å; V40-A44 HydrophobicContact CG2-CB 4.48Å; G41-A44 PolarHBondContact O-N 2.86Å; G41-A44 VanDerWaalsContact O-N 3.16Å; K42-A44 VanDerWaalsContact C-N 3.34Å; K42-A44 PolarHBondContact O-N 3.29Å; A44-F48 WeakPolarHBondContact O-CB 3.3Å; A44-F48 PolarHBondContact O-N 2.97Å; A44-F48 VanDerWaalsContact O-N 3.07Å
45	L	93.7	Very high	87.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-44.8	173.2	-63.4	175.2	0	0	0	111.7	L7 A12 L31 L38 V40 G41 K42 E43 E47 F48 Y49 L53	L7-L45 HydrophobicContact CD1-CD1 4.48Å; A12-L45 HydrophobicContact CB-CD2 3.56Å; L31-L45 HydrophobicContact CD1-CD1 4.5Å; L31-L45 HydrophobicContact CD2-CD1 3.85Å; L38-L45 HydrophobicContact CD1-CD1 3.31Å; L38-L45 HydrophobicContact CD2-CD1 4.08Å; L38-L45 HydrophobicContact CG-CD1 4.25Å; V40-L45 HydrophobicContact CG2-CD2 3.93Å; V40-L45 HydrophobicContact CG2-CG 4.14Å; G41-L45 PolarHBondContact O-N 2.67Å; K42-L45 WeakPolarHBondContact O-CB 3.16Å; K42-L45 PolarHBondContact O-N 3.22Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.08Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 2.88Å; L45-F48 PolarHBondContact O-N 3.19Å; L45-Y49 HydrophobicContact CB-CD2 4.05Å; L45-Y49 HydrophobicContact CB-CE2 3.81Å; L45-Y49 HydrophobicContact CD1-CE2 4.49Å; L45-Y49 HydrophobicContact CD2-CE1 4.49Å; L45-Y49 HydrophobicContact CD2-CE2 3.76Å; L45-Y49 WeakPolarHBondContact CD2-OH 3.47Å; L45-Y49 HydrophobicContact CG-CE2 4.25Å; L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 WeakPolarHBondContact O-CD2 3.47Å; L45-Y49 PolarHBondContact O-N 3.46Å; L45-L53 HydrophobicContact CB-CD1 3.58Å; L45-L53 HydrophobicContact CD1-CD1 4.01Å; L45-L53 HydrophobicContact CG-CD1 4.48Å
46	E	95.8	Very high	89	Confident	45 Å²	45	59.9 Å²	59.9	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-43.7	177.7	-74.4	-172.5	151.3	0	0	111.5	K42 E43 G50 R51 K52 L53	K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 HydrophobicContact CG-CG 4.42Å; K42-E46 IonicContact NZ-OE1 3.16Å; K42-E46 PolarHBondContact NZ-OE1 3.29Å; K42-E46 PolarHBondContact O-N 3.07Å; E43-E46 PolarHBondContact O-N 3.16Å; E46-G50 WeakPolarHBondContact O-CA 3.37Å; E46-G50 PolarHBondContact O-N 2.72Å; E46-R51 WeakPolarHBondContact CA-O 3.3Å; E46-R51 WeakPolarHBondContact CG-O 3.42Å; E46-R51 PolarHBondContact O-N 3.37Å; E46-K52 WeakPolarHBondContact OE1-CA 3.42Å; E46-L53 HydrophobicContact CG-CB 4.03Å; E46-L53 HydrophobicContact CG-CD1 4.16Å; E46-L53 HydrophobicContact CG-CG 3.72Å; E46-L53 PolarHBondContact OE1-N 3.47Å
47	E	96.4	Very high	89.6	Confident	171 Å²	171	60.2 Å²	60.2	80%	0.799	33%	0.325	S	S	*	.	H	α-helix	trans	-60.8	-51.4	176.2	-175.9	177.3	178.6	0	0	111.6	E43 L45 G50	E43-E47 WeakPolarHBondContact O-CB 3.45Å; E43-E47 PolarHBondContact O-N 2.78Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 2.88Å; E47-G50 PolarHBondContact O-N 2.83Å
48	F	96.7	Very high	90.1	Very high	74 Å²	74	63.5 Å²	63.5	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-69.3	-39.9	-177	-175.4	-108.9	0	0	0	112.9	A12 K13 I15 L20 R24 A44 L45	A12-F48 HydrophobicContact CB-CB 4.05Å; A12-F48 HydrophobicContact CB-CD1 3.89Å; A12-F48 HydrophobicContact CB-CG 4.11Å; A12-F48 VanDerWaalsContact O-CD1 3.29Å; A12-F48 WeakPolarHBondContact O-CD1 3.38Å; A12-F48 VanDerWaalsContact O-CE1 3.25Å; A12-F48 WeakPolarHBondContact O-CE1 3.4Å; K13-F48 HydrophobicContact CB-CZ 4.39Å; K13-F48 HydrophobicContact CG-CE1 4.16Å; K13-F48 HydrophobicContact CG-CE2 3.96Å; K13-F48 HydrophobicContact CG-CZ 3.74Å; I15-F48 HydrophobicContact CG2-CE1 4.4Å; L20-F48 HydrophobicContact CD1-CE1 4.4Å; L20-F48 HydrophobicContact CD2-CE1 4.13Å; L20-F48 HydrophobicContact CD2-CZ 4.34Å; R24-F48 PolarHBondContact NH2-O 2.84Å; A44-F48 WeakPolarHBondContact O-CB 3.3Å; A44-F48 PolarHBondContact O-N 2.97Å; A44-F48 VanDerWaalsContact O-N 3.07Å; L45-F48 PolarHBondContact O-N 3.19Å
49	Y	96.6	Very high	90.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-76.9	-24.3	-179.6	-60.7	-18.2	0	0	0	112.4	L7 A12 I15 L20 V23 R24 L45 R51 L53 L80	L7-Y49 HydrophobicContact CD2-CE2 4.37Å; L7-Y49 WeakPolarHBondContact CD2-OH 3.46Å; A12-Y49 WeakPolarHBondContact O-CE1 3.39Å; A12-Y49 PolarHBondContact O-OH 2.8Å; I15-Y49 HydrophobicContact CB-CE1 4.38Å; I15-Y49 HydrophobicContact CD1-CE1 4.15Å; I15-Y49 HydrophobicContact CG2-CE1 3.75Å; L20-Y49 HydrophobicContact CD1-CD1 3.46Å; L20-Y49 VanDerWaalsContact CD1-CD1 3.46Å; L20-Y49 HydrophobicContact CD1-CE1 4.11Å; L20-Y49 HydrophobicContact CD1-CG 4.26Å; V23-Y49 HydrophobicContact CG1-CD2 4.2Å; V23-Y49 HydrophobicContact CG1-CG 4.18Å; R24-Y49 WeakPolarHBondContact CG-O 3.35Å; R24-Y49 PolarHBondContact NE-O 3.22Å; L45-Y49 HydrophobicContact CB-CD2 4.05Å; L45-Y49 HydrophobicContact CB-CE2 3.81Å; L45-Y49 HydrophobicContact CD1-CE2 4.49Å; L45-Y49 HydrophobicContact CD2-CE1 4.49Å; L45-Y49 HydrophobicContact CD2-CE2 3.76Å; L45-Y49 WeakPolarHBondContact CD2-OH 3.47Å; L45-Y49 HydrophobicContact CG-CE2 4.25Å; L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 WeakPolarHBondContact O-CD2 3.47Å; L45-Y49 PolarHBondContact O-N 3.46Å; Y49-R51 VanDerWaalsContact C-N 3.28Å; Y49-L53 HydrophobicContact CD2-CD1 4.44Å; Y49-L53 HydrophobicContact CD2-CD2 4.39Å; Y49-L80 HydrophobicContact CD2-CD1 4.38Å; Y49-L80 HydrophobicContact CE2-CD1 4.06Å
50	G	96.7	Very high	91.4	Very high	59 Å²	59	63.6 Å²	63.6	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	30.1	-174.9	0	0	0	0	0	112.2	E46 E47	E46-G50 WeakPolarHBondContact O-CA 3.37Å; E46-G50 PolarHBondContact O-N 2.72Å; E47-G50 PolarHBondContact O-N 2.83Å
51	R	96.2	Very high	91.8	Very high	77 Å²	77	62.2 Å²	62.2	29%	0.291	32%	0.318	S	S	.	.	S	Bend	trans	-142.4	142.8	-178.1	-65	-61.7	-63.2	-155.6	13.8	109.5	V23 R24 C26 S27 V29 E46 Y49	V23-R51 HydrophobicContact CG1-CB 4.34Å; V23-R51 HydrophobicContact CG1-CG 4.11Å; R24-R51 PolarHBondContact O-NH1 3.33Å; R24-R51 VanDerWaalsContact O-NH1 3.09Å; C26-R51 PolarHBondContact O-NH1 3.18Å; C26-R51 PolarHBondContact O-NH2 2.73Å; S27-R51 PolarHBondContact O-NH2 3.36Å; V29-R51 HydrophobicContact CG2-CB 4.3Å; E46-R51 WeakPolarHBondContact CA-O 3.3Å; E46-R51 WeakPolarHBondContact CG-O 3.42Å; E46-R51 PolarHBondContact O-N 3.37Å; Y49-R51 VanDerWaalsContact C-N 3.28Å
52	K	96.6	Very high	91.8	Very high	175 Å²	175	63.6 Å²	63.6	76%	0.761	31%	0.313	S	S	*	.			trans	-70.9	139.3	167.9	-69.1	-167.5	175.5	-172.6	0	110.6	E46	E46-K52 WeakPolarHBondContact OE1-CA 3.42Å
53	L	95.5	Very high	91.6	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.026	33%	0.332	C	S	.	.			trans	-105	135.4	177.5	-58.8	-177	0	0	0	110.1	V29 L31 K42 L45 E46 Y49 L80	V29-L53 HydrophobicContact CB-CD2 3.85Å; V29-L53 HydrophobicContact CG1-CD2 3.33Å; V29-L53 WeakPolarHBondContact O-CA 3.18Å; L31-L53 HydrophobicContact CB-CB 4.25Å; L31-L53 HydrophobicContact CB-CD1 4.3Å; L31-L53 HydrophobicContact CD2-CD1 3.91Å; K42-L53 WeakPolarHBondContact CE-O 3.25Å; K42-L53 HydrophobicContact CG-CB 4.24Å; K42-L53 HydrophobicContact CG-CD1 4.4Å; K42-L53 PolarHBondContact NZ-O 3.16Å; L45-L53 HydrophobicContact CB-CD1 3.58Å; L45-L53 HydrophobicContact CD1-CD1 4.01Å; L45-L53 HydrophobicContact CG-CD1 4.48Å; E46-L53 HydrophobicContact CG-CB 4.03Å; E46-L53 HydrophobicContact CG-CD1 4.16Å; E46-L53 HydrophobicContact CG-CG 3.72Å; E46-L53 PolarHBondContact OE1-N 3.47Å; Y49-L53 HydrophobicContact CD2-CD1 4.44Å; Y49-L53 HydrophobicContact CD2-CD2 4.39Å; L53-L80 HydrophobicContact CD2-CD1 3.78Å
54	I	95.1	Very high	91.5	Very high	71 Å²	71	65.5 Å²	65.5	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.8	174.6	-56.3	169.2	0	0	0	106.6	R28 V29 Y30 L31 A56	R28-I54 HydrophobicContact CB-CD1 4.33Å; R28-I54 HydrophobicContact CG-CD1 4.34Å; V29-I54 PolarHBondContact O-N 2.87Å; Y30-I54 CarbonylContact C-O 3.56Å; Y30-I54 VanDerWaalsContact CA-O 3.23Å; Y30-I54 WeakPolarHBondContact CA-O 3.15Å; Y30-I54 HydrophobicContact CD1-CB 3.89Å; Y30-I54 HydrophobicContact CD1-CG2 3.75Å; Y30-I54 HydrophobicContact CE1-CB 4.11Å; Y30-I54 HydrophobicContact CE1-CD1 4.27Å; Y30-I54 HydrophobicContact CE1-CG2 3.66Å; Y30-I54 HydrophobicContact CE2-CD1 4.33Å; Y30-I54 HydrophobicContact CG-CB 4.36Å; L31-I54 PolarHBondContact N-O 3.26Å; I54-A56 PolarHBondContact O-N 3.26Å
55	L	91.8	Very high	91.5	Very high	90 Å²	90	63.5 Å²	63.5	47%	0.471	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.8	178.9	-66.3	179.2	0	0	0	109.9	L31 A33 K42	L31-L55 HydrophobicContact CB-CD2 4.29Å; L31-L55 HydrophobicContact CD2-CD2 3.89Å; L31-L55 HydrophobicContact CG-CD2 4.22Å; L31-L55 WeakPolarHBondContact O-CA 3.35Å; A33-L55 HydrophobicContact CB-CD2 4.33Å; K42-L55 HydrophobicContact CD-CD1 4.24Å; K42-L55 HydrophobicContact CD-CD2 4.03Å; K42-L55 HydrophobicContact CD-CG 4.03Å; K42-L55 HydrophobicContact CG-CD2 4.27Å
56	A	90.3	Very high	91.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.9	172.8	0	0	0	0	0	108.6	Y30 L31 E32 A33 I54 E60 V61 I68 F79	Y30-A56 HydrophobicContact CD1-CB 4.35Å; L31-A56 PolarHBondContact O-N 3.26Å; E32-A56 WeakPolarHBondContact CA-O 3.42Å; A33-A56 PolarHBondContact N-O 2.99Å; A33-A56 VanDerWaalsContact N-O 3.09Å; I54-A56 PolarHBondContact O-N 3.26Å; A56-E60 HydrophobicContact CB-CB 4.34Å; A56-E60 HydrophobicContact CB-CG 4Å; A56-V61 HydrophobicContact CB-CG2 3.69Å; A56-I68 HydrophobicContact CB-CD1 4.38Å; A56-F79 HydrophobicContact CB-CE2 4.28Å
57	D	86.4	Confident	91.1	Very high	35 Å²	35	69.5 Å²	69.5	19%	0.187	34%	0.34	C	S	.	.			trans	-92.5	-177.2	172.6	61.3	28.8	0	0	0	111.3	E59 E60 V61 K168	D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 2.88Å; D57-E59 PolarHBondContact OD1-N 3.46Å; D57-E60 PolarHBondContact O-N 3.12Å; D57-E60 PolarHBondContact OD1-N 2.82Å; D57-E60 VanDerWaalsContact OD1-N 3.13Å; D57-V61 WeakPolarHBondContact O-CG2 3.31Å; D57-V61 PolarHBondContact O-N 3.23Å; D57-K168 HydrophobicContact CB-CD 3.94Å; D57-K168 IonicContact OD2-NZ 3.61Å; D57-K168 PolarHBondContact OD2-NZ 2.94Å
58	R	84.8	Confident	91	Very high	117 Å²	117	61.3 Å²	61.3	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-38.2	-175.2	-170.4	178.8	-65.4	-171.7	0.2	112.6	Y34 V61 E62	Y34-R58 HydrophobicContact CD1-CB 4.08Å; Y34-R58 VanDerWaalsContact CD1-N 3.33Å; Y34-R58 HydrophobicContact CD2-CB 3.84Å; Y34-R58 HydrophobicContact CD2-CG 4.04Å; Y34-R58 HydrophobicContact CE1-CB 4.2Å; Y34-R58 HydrophobicContact CE2-CB 3.96Å; Y34-R58 HydrophobicContact CE2-CG 3.76Å; Y34-R58 HydrophobicContact CG-CB 3.88Å; R58-V61 PolarHBondContact O-N 2.85Å; R58-E62 HydrophobicContact CG-CG 3.99Å; R58-E62 WeakPolarHBondContact CG-OE2 3.4Å; R58-E62 VanDerWaalsContact O-CB 3.28Å; R58-E62 WeakPolarHBondContact O-CB 3.44Å; R58-E62 WeakPolarHBondContact O-CG 3.36Å; R58-E62 PolarHBondContact O-N 3.02Å
59	E	85.3	Confident	90.9	Very high	73 Å²	73	58 Å²	58	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-47.3	179.2	-171.6	172.8	-166.7	0	0	109.9	D57 V61 Q63 E64	D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 2.88Å; D57-E59 PolarHBondContact OD1-N 3.46Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.21Å; E59-Q63 WeakPolarHBondContact O-CA 3.41Å; E59-Q63 WeakPolarHBondContact O-CB 3.44Å; E59-Q63 PolarHBondContact O-N 3.04Å; E59-E64 PolarHBondContact O-N 3.23Å
60	E	86.6	Confident	90.8	Very high	36 Å²	36	64 Å²	64	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-42	176.4	-175.1	70.7	-174.5	0	0	112.5	A56 D57 E64 A65 N67 I68	A56-E60 HydrophobicContact CB-CB 4.34Å; A56-E60 HydrophobicContact CB-CG 4Å; D57-E60 PolarHBondContact O-N 3.12Å; D57-E60 PolarHBondContact OD1-N 2.82Å; D57-E60 VanDerWaalsContact OD1-N 3.13Å; E60-E64 CarbonylContact O-C 3.5Å; E60-A65 WeakPolarHBondContact O-CA 3.21Å; E60-A65 PolarHBondContact O-N 3.43Å; E60-N67 WeakPolarHBondContact OE1-CB 3.42Å; E60-N67 PolarHBondContact OE1-ND2 2.98Å; E60-N67 PolarHBondContact OE2-ND2 3.34Å; E60-N67 VanDerWaalsContact OE2-ND2 3.09Å; E60-I68 HydrophobicContact CG-CD1 4.37Å; E60-I68 HydrophobicContact CG-CG1 4.42Å
61	V	86.6	Confident	90.6	Very high	7 Å²	7	64.7 Å²	64.7	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-81.2	-40	-175.4	177.8	0	0	0	0	112.8	Y34 A56 D57 R58 E59 A65 I68 F79	Y34-V61 HydrophobicContact CE1-CB 3.8Å; Y34-V61 HydrophobicContact CE1-CG1 4.26Å; Y34-V61 HydrophobicContact CE1-CG2 3.82Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.39Å; A56-V61 HydrophobicContact CB-CG2 3.69Å; D57-V61 WeakPolarHBondContact O-CG2 3.31Å; D57-V61 PolarHBondContact O-N 3.23Å; R58-V61 PolarHBondContact O-N 2.85Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.21Å; V61-A65 WeakPolarHBondContact O-CB 3.44Å; V61-I68 HydrophobicContact CG2-CD1 4Å; V61-F79 HydrophobicContact CG1-CE2 4.49Å; V61-F79 HydrophobicContact CG1-CZ 3.93Å; V61-F79 HydrophobicContact CG2-CE2 3.69Å; V61-F79 HydrophobicContact CG2-CZ 3.74Å
62	E	85	Confident	90.6	Very high	72 Å²	72	61 Å²	61	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-94.4	-31.4	-172.7	-61.3	-176.1	-178.7	0	0	112.8	Y34 R58 R97	Y34-E62 PolarHBondContact OH-OE1 3.04Å; R58-E62 HydrophobicContact CG-CG 3.99Å; R58-E62 WeakPolarHBondContact CG-OE2 3.4Å; R58-E62 VanDerWaalsContact O-CB 3.28Å; R58-E62 WeakPolarHBondContact O-CB 3.44Å; R58-E62 WeakPolarHBondContact O-CG 3.36Å; R58-E62 PolarHBondContact O-N 3.02Å; E62-R97 PolarHBondContact O-NH2 3.27Å
63	Q	85.1	Confident	90.3	Very high	138 Å²	138	57.4 Å²	57.4	65%	0.645	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-45.2	-176	-55.3	-176.2	29	0	0	111.5	E59	E59-Q63 WeakPolarHBondContact O-CA 3.41Å; E59-Q63 WeakPolarHBondContact O-CB 3.44Å; E59-Q63 PolarHBondContact O-N 3.04Å
64	E	89.6	Confident	90.3	Very high	88 Å²	88	63.5 Å²	63.5	41%	0.411	31%	0.309	S	S	.	.			trans	-105	28.6	-174.2	-47.1	-168.8	172.2	0	0	113.6	E59 E60 D66 N67	E59-E64 PolarHBondContact O-N 3.23Å; E60-E64 CarbonylContact O-C 3.5Å; E64-D66 PolarHBondContact O-N 3.3Å; E64-N67 WeakPolarHBondContact O-CB 3.26Å; E64-N67 PolarHBondContact O-N 3.11Å; E64-N67 PolarHBondContact OE2-ND2 3.49Å
65	A	90.1	Very high	90.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-22	-175.8	0	0	0	0	0	114.2	E60 V61 N67 I68 L69 L94	E60-A65 WeakPolarHBondContact O-CA 3.21Å; E60-A65 PolarHBondContact O-N 3.43Å; V61-A65 WeakPolarHBondContact O-CB 3.44Å; A65-N67 PolarHBondContact O-N 3.2Å; A65-I68 WeakPolarHBondContact O-CB 3.24Å; A65-I68 PolarHBondContact O-N 2.98Å; A65-L69 WeakPolarHBondContact O-CG 3.45Å; A65-L69 PolarHBondContact O-N 3.28Å; A65-L94 HydrophobicContact CB-CD1 4.01Å
66	D	90.4	Very high	90.6	Very high	105 Å²	105	59.8 Å²	59.8	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-58	-30.5	174.4	-68.9	-13.1	0	0	0	112.2	E64 I68 L69 K70	E64-D66 PolarHBondContact O-N 3.3Å; D66-I68 VanDerWaalsContact C-N 3.34Å; D66-I68 PolarHBondContact O-N 2.96Å; D66-L69 PolarHBondContact O-N 2.9Å; D66-K70 WeakPolarHBondContact O-CA 3.38Å; D66-K70 VanDerWaalsContact O-CB 3.24Å; D66-K70 WeakPolarHBondContact O-CB 3.45Å; D66-K70 PolarHBondContact O-N 3.12Å
67	N	92.1	Very high	91	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-39.7	174.5	-70.3	-21.5	0	0	0	112	Y30 E60 E64 A65	Y30-N67 PolarHBondContact OH-O 3.32Å; E60-N67 WeakPolarHBondContact OE1-CB 3.42Å; E60-N67 PolarHBondContact OE1-ND2 2.98Å; E60-N67 PolarHBondContact OE2-ND2 3.34Å; E60-N67 VanDerWaalsContact OE2-ND2 3.09Å; E64-N67 WeakPolarHBondContact O-CB 3.26Å; E64-N67 PolarHBondContact O-N 3.11Å; E64-N67 PolarHBondContact OE2-ND2 3.49Å; A65-N67 PolarHBondContact O-N 3.2Å
68	I	93.8	Very high	91.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-42.2	176.9	-58.7	171	0	0	0	110	L2 Y30 A56 E60 V61 A65 D66 F79 L94	L2-I68 HydrophobicContact CD1-CG2 4.42Å; Y30-I68 HydrophobicContact CD1-CG1 3.95Å; Y30-I68 HydrophobicContact CD2-CG2 4.08Å; Y30-I68 HydrophobicContact CE1-CG1 4Å; Y30-I68 HydrophobicContact CE2-CG2 4.37Å; Y30-I68 HydrophobicContact CG-CG1 4.24Å; Y30-I68 HydrophobicContact CG-CG2 4.34Å; A56-I68 HydrophobicContact CB-CD1 4.38Å; E60-I68 HydrophobicContact CG-CD1 4.37Å; E60-I68 HydrophobicContact CG-CG1 4.42Å; V61-I68 HydrophobicContact CG2-CD1 4Å; A65-I68 WeakPolarHBondContact O-CB 3.24Å; A65-I68 PolarHBondContact O-N 2.98Å; D66-I68 VanDerWaalsContact C-N 3.34Å; D66-I68 PolarHBondContact O-N 2.96Å; I68-F79 HydrophobicContact CD1-CD2 4.05Å; I68-F79 HydrophobicContact CD1-CE2 3.88Å; I68-F79 HydrophobicContact CG2-CD2 4.23Å; I68-L94 HydrophobicContact CG2-CD2 4.5Å
69	L	94.9	Very high	92.2	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-80	-20.7	-175.7	-64.4	177.8	0	0	0	113.9	L2 A65 D66 D71 A72 L94 R97 A98 L101 I103	L2-L69 HydrophobicContact CD1-CD2 4.44Å; L2-L69 HydrophobicContact CD2-CD2 3.71Å; A65-L69 WeakPolarHBondContact O-CG 3.45Å; A65-L69 PolarHBondContact O-N 3.28Å; D66-L69 PolarHBondContact O-N 2.9Å; L69-D71 PolarHBondContact O-N 3.35Å; L69-A72 WeakPolarHBondContact O-CB 3.42Å; L69-A72 PolarHBondContact O-N 2.86Å; L69-L94 HydrophobicContact CD1-CD1 4.18Å; L69-L94 HydrophobicContact CD2-CD1 3.91Å; L69-L94 HydrophobicContact CD2-CG 4.34Å; L69-L94 HydrophobicContact CG-CD1 3.97Å; L69-R97 HydrophobicContact CD1-CB 3.6Å; L69-A98 HydrophobicContact CD2-CB 3.97Å; L69-L101 HydrophobicContact CB-CD1 4.42Å; L69-L101 HydrophobicContact CD1-CD1 4.03Å; L69-I103 HydrophobicContact CB-CD1 3.97Å; L69-I103 HydrophobicContact CD2-CD1 4.48Å; L69-I103 WeakPolarHBondContact O-CD1 3.48Å
70	K	94.1	Very high	92.7	Very high	127 Å²	127	49 Å²	49	55%	0.552	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	130.6	179.2	177.3	176.1	179.6	178.9	0	110.4	R28 D66 A72	R28-K70 PolarHBondContact NH1-O 3.38Å; R28-K70 PolarHBondContact NH2-O 3.47Å; D66-K70 WeakPolarHBondContact O-CA 3.38Å; D66-K70 VanDerWaalsContact O-CB 3.24Å; D66-K70 WeakPolarHBondContact O-CB 3.45Å; D66-K70 PolarHBondContact O-N 3.12Å; K70-A72 PolarHBondContact O-N 3.12Å; K70-A72 VanDerWaalsContact O-N 3.08Å
71	D	93	Very high	93.1	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	14.8	178.7	-48.4	-36.4	0	0	0	115.1	L69 D73 I74 S75	L69-D71 PolarHBondContact O-N 3.35Å; D71-D73 WeakPolarHBondContact CA-OD1 3.47Å; D71-D73 PolarHBondContact O-N 3.3Å; D71-I74 HydrophobicContact CB-CD1 4.11Å; D71-I74 HydrophobicContact CB-CG1 3.92Å; D71-I74 WeakPolarHBondContact O-CG1 3.31Å; D71-I74 PolarHBondContact O-N 3.17Å; D71-S75 PolarHBondContact O-N 3.22Å; D71-S75 PolarHBondContact O-OG 3.46Å
72	A	94.7	Very high	93.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.9	177.4	0	0	0	0	0	112.9	M1 L69 K70 S75 V77 I103	M1-A72 CarbonylContact C-O 3.51Å; M1-A72 WeakPolarHBondContact CA-O 3.29Å; M1-A72 PolarHBondContact N-O 3.25Å; L69-A72 WeakPolarHBondContact O-CB 3.42Å; L69-A72 PolarHBondContact O-N 2.86Å; K70-A72 PolarHBondContact O-N 3.12Å; K70-A72 VanDerWaalsContact O-N 3.08Å; A72-S75 CarbonylContact C-O 3.24Å; A72-S75 WeakPolarHBondContact CA-O 3.31Å; A72-V77 HydrophobicContact CB-CB 4.25Å; A72-V77 HydrophobicContact CB-CG2 3.84Å; A72-I103 HydrophobicContact CB-CD1 4.4Å; A72-I103 HydrophobicContact CB-CG2 3.82Å
73	D	91.4	Very high	93.9	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-36.8	168.6	61.5	-36.1	0	0	0	112.1	D71 I103	D71-D73 WeakPolarHBondContact CA-OD1 3.47Å; D71-D73 PolarHBondContact O-N 3.3Å; D73-I103 HydrophobicContact CB-CG1 4.22Å
74	I	94.9	Very high	94.4	Very high	133 Å²	133	38.7 Å²	38.7	68%	0.682	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.2	-178.5	60.1	172.5	0	0	0	114.4	D71	D71-I74 HydrophobicContact CB-CD1 4.11Å; D71-I74 HydrophobicContact CB-CG1 3.92Å; D71-I74 WeakPolarHBondContact O-CG1 3.31Å; D71-I74 PolarHBondContact O-N 3.17Å
75	S	95.9	Very high	94.7	Very high	31 Å²	31	34.5 Å²	34.5	22%	0.217	18%	0.181	C	C	.	.	S	Bend	trans	-138.2	157.2	179.4	73.5	0	0	0	0	112.2	M1 S27 R28 D71 A72	M1-S75 PolarHBondContact N-O 2.89Å; S27-S75 PolarHBondContact OG-OG 3.1Å; R28-S75 PolarHBondContact NH2-OG 3.26Å; D71-S75 PolarHBondContact O-N 3.22Å; D71-S75 PolarHBondContact O-OG 3.46Å; A72-S75 CarbonylContact C-O 3.24Å; A72-S75 WeakPolarHBondContact CA-O 3.31Å
76	D	97.9	Very high	94.9	Very high	51 Å²	51	38 Å²	38	27%	0.273	20%	0.196	S	C	.	.			trans	-83.4	124	178.8	-77.2	-10.7	0	0	0	111.6	M1 Y3 R25 C26 S27	M1-D76 WeakPolarHBondContact CB-OD1 3.26Å; M1-D76 PolarHBondContact N-OD1 3.31Å; M1-D76 WeakPolarHBondContact O-CA 3.41Å; Y3-D76 HydrophobicContact CE2-CB 3.93Å; R25-D76 IonicContact NE-OD2 3.78Å; C26-D76 CarbonylContact C-O 3.01Å; C26-D76 WeakPolarHBondContact CA-O 3.32Å; C26-D76 HydrophobicContact CB-CB 4.43Å; C26-D76 WeakPolarHBondContact CB-O 3.43Å; S27-D76 PolarHBondContact N-O 2.71Å; S27-D76 PolarHBondContact OG-O 2.82Å
77	V	98.1	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.6	-179.2	-177.6	0	0	0	0	108.8	M1 L2 Y3 R28 Y30 A72	M1-V77 PolarHBondContact O-N 2.97Å; L2-V77 CarbonylContact C-O 3.43Å; L2-V77 WeakPolarHBondContact CA-O 3.42Å; L2-V77 HydrophobicContact CD1-CB 4.44Å; L2-V77 HydrophobicContact CD1-CG1 4.39Å; Y3-V77 PolarHBondContact N-O 3.09Å; R28-V77 HydrophobicContact CB-CG1 4.36Å; R28-V77 WeakPolarHBondContact O-CA 3.18Å; Y30-V77 HydrophobicContact CD2-CG1 3.82Å; Y30-V77 HydrophobicContact CE2-CG1 3.85Å; A72-V77 HydrophobicContact CB-CB 4.25Å; A72-V77 HydrophobicContact CB-CG2 3.84Å
78	A	98.2	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.7	173.2	0	0	0	0	0	111	Y3 I5 C26 R28 V29 Y30 L80	Y3-A78 CarbonylContact O-C 3.47Å; Y3-A78 WeakPolarHBondContact O-CA 3.35Å; I5-A78 HydrophobicContact CD1-CB 3.97Å; C26-A78 HydrophobicContact CB-CB 4.01Å; R28-A78 PolarHBondContact O-N 3.32Å; V29-A78 CarbonylContact C-O 3.47Å; V29-A78 WeakPolarHBondContact CA-O 3.27Å; V29-A78 HydrophobicContact CB-CB 4.48Å; V29-A78 HydrophobicContact CG1-CB 4.05Å; V29-A78 HydrophobicContact CG2-CB 4.36Å; Y30-A78 PolarHBondContact N-O 3.28Å; A78-L80 HydrophobicContact CB-CD2 4.21Å
79	F	97.8	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.6	169.8	-176.2	-103.4	0	0	0	107.9	L2 Y3 L4 I5 E32 A56 V61 I68 V81 H91 L94	L2-F79 HydrophobicContact CD1-CB 4.41Å; Y3-F79 PolarHBondContact O-N 3.19Å; L4-F79 WeakPolarHBondContact CA-O 3.32Å; I5-F79 PolarHBondContact N-O 2.89Å; E32-F79 HydrophobicContact CB-CE1 4.46Å; E32-F79 HydrophobicContact CB-CE2 4.27Å; E32-F79 HydrophobicContact CB-CZ 3.82Å; E32-F79 HydrophobicContact CG-CZ 4.04Å; A56-F79 HydrophobicContact CB-CE2 4.28Å; V61-F79 HydrophobicContact CG1-CE2 4.49Å; V61-F79 HydrophobicContact CG1-CZ 3.93Å; V61-F79 HydrophobicContact CG2-CE2 3.69Å; V61-F79 HydrophobicContact CG2-CZ 3.74Å; I68-F79 HydrophobicContact CD1-CD2 4.05Å; I68-F79 HydrophobicContact CD1-CE2 3.88Å; I68-F79 HydrophobicContact CG2-CD2 4.23Å; F79-V81 HydrophobicContact CD1-CG2 3.69Å; F79-V81 HydrophobicContact CE1-CG2 3.48Å; F79-V81 VanDerWaalsContact CE1-CG2 3.48Å; F79-H91 AromaticContact CE1-CE1 3.92Å; F79-H91 AromaticContact CE1-CG 3.91Å; F79-H91 AromaticContact CE1-ND1 3.68Å; F79-L94 HydrophobicContact CB-CD2 4.23Å; F79-L94 HydrophobicContact CD1-CD2 3.79Å; F79-L94 HydrophobicContact CD2-CD2 4.26Å; F79-L94 HydrophobicContact CE1-CD2 4.21Å; F79-L94 HydrophobicContact CG-CD2 3.82Å
80	L	96.9	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.4	-174.3	-49.5	-175.6	0	0	0	110.1	I5 L7 V23 V29 Y30 L31 E32 Y49 L53 A78	I5-L80 HydrophobicContact CB-CD2 3.82Å; I5-L80 HydrophobicContact CD1-CD2 4.05Å; I5-L80 HydrophobicContact CG1-CD2 4.29Å; I5-L80 HydrophobicContact CG2-CD2 4.37Å; I5-L80 WeakPolarHBondContact O-CA 3.3Å; L7-L80 HydrophobicContact CD1-CB 3.95Å; L7-L80 HydrophobicContact CD2-CB 4.03Å; L7-L80 HydrophobicContact CD2-CD1 4.19Å; L7-L80 HydrophobicContact CD2-CD2 4.26Å; L7-L80 HydrophobicContact CD2-CG 4.38Å; L7-L80 HydrophobicContact CG-CB 4.07Å; V23-L80 HydrophobicContact CG2-CD1 4.48Å; V23-L80 HydrophobicContact CG2-CD2 3.61Å; V29-L80 HydrophobicContact CG1-CD1 3.52Å; V29-L80 HydrophobicContact CG1-CD2 4.12Å; V29-L80 HydrophobicContact CG1-CG 3.75Å; Y30-L80 WeakPolarHBondContact O-CB 3.44Å; Y30-L80 WeakPolarHBondContact O-CG 3.2Å; Y30-L80 PolarHBondContact O-N 3.03Å; L31-L80 HydrophobicContact CD1-CB 4.02Å; E32-L80 WeakPolarHBondContact CB-O 3.3Å; E32-L80 PolarHBondContact N-O 2.78Å; Y49-L80 HydrophobicContact CD2-CD1 4.38Å; Y49-L80 HydrophobicContact CE2-CD1 4.06Å; L53-L80 HydrophobicContact CD2-CD1 3.78Å; A78-L80 HydrophobicContact CB-CD2 4.21Å
81	V	95.1	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	-177.9	-179.3	0	0	0	0	108.5	I5 G6 L7 F79 P85 T89	I5-V81 PolarHBondContact O-N 2.75Å; G6-V81 CarbonylContact C-O 3.4Å; G6-V81 WeakPolarHBondContact CA-O 3.37Å; L7-V81 PolarHBondContact N-O 2.89Å; F79-V81 HydrophobicContact CD1-CG2 3.69Å; F79-V81 HydrophobicContact CE1-CG2 3.48Å; F79-V81 VanDerWaalsContact CE1-CG2 3.48Å; V81-P85 HydrophobicContact CG2-CB 4.49Å; V81-T89 HydrophobicContact CG1-CG2 4.12Å
82	V	92.9	Very high	93.4	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	-66.4	135.3	173.2	-176.9	0	0	0	0	109.4	S36 L38	S36-V82 WeakPolarHBondContact OG-CG1 3.26Å; L38-V82 HydrophobicContact CD1-CG2 4.46Å; L38-V82 HydrophobicContact CD2-CG2 3.73Å; L38-V82 HydrophobicContact CG-CG2 3.67Å
83	G	94.4	Very high	93.3	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	76.4	-129.3	-170.9	0	0	0	0	0	111.6	G6 L7 G8 N110 A111	G6-G83 CarbonylContact C-O 3.52Å; G6-G83 VanDerWaalsContact C-O 3.3Å; G6-G83 WeakPolarHBondContact CA-O 3.23Å; L7-G83 PolarHBondContact N-O 3.31Å; L7-G83 VanDerWaalsContact N-O 3.16Å; G8-G83 PolarHBondContact N-O 2.88Å; G8-G83 VanDerWaalsContact N-O 3.13Å; G8-G83 WeakPolarHBondContact O-CA 3.4Å; G8-G83 PolarHBondContact O-N 2.68Å; G83-N110 WeakPolarHBondContact O-CB 3.49Å; G83-A111 CarbonylContact C-O 3.54Å; G83-A111 WeakPolarHBondContact CA-O 3.4Å
84	D	96.3	Very high	93.4	Very high	18 Å²	18	30.8 Å²	30.8	10%	0.096	18%	0.184	C	C	.	.			trans	-109.3	142.5	177	-178.9	-94	0	0	0	110.4	F86 G87 H109 N110 A111	D84-F86 PolarHBondContact O-N 3.45Å; D84-F86 PolarHBondContact OD1-N 3.2Å; D84-G87 PolarHBondContact O-N 2.85Å; D84-G87 VanDerWaalsContact O-N 3.07Å; D84-G87 PolarHBondContact OD1-N 2.86Å; D84-H109 IonicContact OD1-ND1 3.74Å; D84-H109 WeakPolarHBondContact OD2-CA 3.46Å; D84-H109 VanDerWaalsContact OD2-CB 3.29Å; D84-H109 WeakPolarHBondContact OD2-CB 3.23Å; D84-H109 IonicContact OD2-CG 3.86Å; D84-H109 IonicContact OD2-ND1 2.66Å; D84-H109 PolarHBondContact OD2-ND1 2.97Å; D84-N110 PolarHBondContact OD2-N 3.34Å; D84-A111 PolarHBondContact N-O 3.34Å
85	P	95.1	Very high	93.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21	-177.8	-28.9	38.4	0	0	0	115.6	L4 V81 T89 V107	L4-P85 HydrophobicContact CB-CB 4.11Å; L4-P85 HydrophobicContact CB-CG 4.22Å; L4-P85 HydrophobicContact CD2-CB 4.46Å; V81-P85 HydrophobicContact CG2-CB 4.49Å; P85-T89 PolarHBondContact O-OG1 3.35Å; P85-V107 HydrophobicContact CB-CG1 4.35Å; P85-V107 HydrophobicContact CG-CG1 4.16Å
86	F	94.8	Very high	93.5	Very high	75 Å²	75	28.5 Å²	28.5	33%	0.329	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	6.8	179.8	-51.9	-51.1	0	0	0	113.8	L4 D84 A88 V95 V107 H109	L4-F86 HydrophobicContact CD2-CE1 4.3Å; L4-F86 HydrophobicContact CD2-CZ 4.48Å; D84-F86 PolarHBondContact O-N 3.45Å; D84-F86 PolarHBondContact OD1-N 3.2Å; F86-A88 VanDerWaalsContact C-N 3.35Å; F86-A88 PolarHBondContact O-N 2.92Å; F86-V95 HydrophobicContact CE1-CG2 4.21Å; F86-V95 HydrophobicContact CZ-CG2 4.07Å; F86-V107 HydrophobicContact CD2-CG1 4.38Å; F86-V107 HydrophobicContact CE2-CB 4.25Å; F86-V107 HydrophobicContact CE2-CG1 3.67Å; F86-V107 HydrophobicContact CE2-CG2 3.74Å; F86-V107 HydrophobicContact CZ-CG1 4.2Å; F86-V107 HydrophobicContact CZ-CG2 3.69Å; F86-H109 AromaticContact CD2-CE1 3.98Å
87	G	88.5	Confident	93.4	Very high	16 Å²	16	29 Å²	29	17%	0.165	17%	0.169	C	C	.	.	S	Bend	trans	-64.5	-33.9	-172.2	0	0	0	0	0	114.2	D84 S112 M114	D84-G87 PolarHBondContact O-N 2.85Å; D84-G87 VanDerWaalsContact O-N 3.07Å; D84-G87 PolarHBondContact OD1-N 2.86Å; G87-S112 WeakPolarHBondContact CA-OG 3.45Å; G87-M114 WeakPolarHBondContact O-CG 3.46Å
88	A	84.4	Confident	93.3	Very high	57 Å²	57	29 Å²	29	47%	0.471	17%	0.169	S	C	.	.	S	Bend	trans	-167.1	41.6	179.2	0	0	0	0	0	110.5	F86 L162	F86-A88 VanDerWaalsContact C-N 3.35Å; F86-A88 PolarHBondContact O-N 2.92Å; A88-L162 HydrophobicContact CB-CD1 3.6Å
89	T	84.7	Confident	93.2	Very high	33 Å²	33	32.8 Å²	32.8	20%	0.202	19%	0.192	C	C	.	.	S	Bend	trans	-133.7	171.6	-166.8	68.1	0	0	0	0	111	T35 V81 P85 H91	T35-T89 HydrophobicContact CG2-CG2 4.21Å; V81-T89 HydrophobicContact CG1-CG2 4.12Å; P85-T89 PolarHBondContact O-OG1 3.35Å; T89-H91 WeakPolarHBondContact CB-CD2 3.16Å; T89-H91 PolarHBondContact OG1-CD2 2.97Å; T89-H91 VanDerWaalsContact OG1-CD2 3.26Å
90	T	84.6	Confident	93.1	Very high	84 Å²	84	41.1 Å²	41.1	52%	0.515	23%	0.228	S	C	.	.	S	Bend	trans	-102.1	10	176.7	51.5	0	0	0	0	112.9	S92 D93	T90-S92 PolarHBondContact O-N 2.88Å; T90-D93 WeakPolarHBondContact O-CB 3.38Å; T90-D93 PolarHBondContact O-N 3.42Å
91	H	92.2	Very high	93.1	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.9	-172.1	-55.5	-46	0	0	0	115.2	L4 E32 F79 T89 D93 L94 V95	L4-H91 HydrophobicContact CD2-CB 4.27Å; E32-H91 VanDerWaalsContact CD-NE2 3.26Å; E32-H91 IonicContact OE1-CE1 2.76Å; E32-H91 PolarHBondContact OE1-CE1 2.81Å; E32-H91 IonicContact OE1-NE2 2.72Å; E32-H91 PolarHBondContact OE1-NE2 2.89Å; E32-H91 IonicContact OE2-CE1 3.28Å; E32-H91 PolarHBondContact OE2-CE1 3.06Å; E32-H91 IonicContact OE2-NE2 3.86Å; E32-H91 PolarHBondContact OE2-NE2 3.21Å; F79-H91 AromaticContact CE1-CE1 3.92Å; F79-H91 AromaticContact CE1-CG 3.91Å; F79-H91 AromaticContact CE1-ND1 3.68Å; T89-H91 WeakPolarHBondContact CB-CD2 3.16Å; T89-H91 PolarHBondContact OG1-CD2 2.97Å; T89-H91 VanDerWaalsContact OG1-CD2 3.26Å; H91-D93 PolarHBondContact O-N 2.8Å; H91-L94 WeakPolarHBondContact O-CB 3.24Å; H91-L94 PolarHBondContact O-N 3.22Å; H91-V95 PolarHBondContact O-N 3.49Å
92	S	93.1	Very high	93.2	Very high	61 Å²	61	49.1 Å²	49.1	43%	0.427	29%	0.286	S	S	.	.	H	α-helix	trans	-52.5	-32.4	163.1	-61.4	0	0	0	0	111.9	T90 L94 V95 L96	T90-S92 PolarHBondContact O-N 2.88Å; S92-L94 VanDerWaalsContact C-N 3.34Å; S92-L94 PolarHBondContact O-N 3.33Å; S92-V95 WeakPolarHBondContact O-CB 3.28Å; S92-V95 PolarHBondContact O-N 2.95Å; S92-L96 WeakPolarHBondContact O-CG 3.35Å; S92-L96 PolarHBondContact O-N 2.72Å
93	D	92.9	Very high	93.4	Very high	63 Å²	63	49 Å²	49	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-41.7	174.9	-176.1	56.4	0	0	0	112.3	T90 H91 V95 L96 R97	T90-D93 WeakPolarHBondContact O-CB 3.38Å; T90-D93 PolarHBondContact O-N 3.42Å; H91-D93 PolarHBondContact O-N 2.8Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.05Å; D93-L96 WeakPolarHBondContact O-CB 3.5Å; D93-L96 PolarHBondContact O-N 2.77Å; D93-L96 VanDerWaalsContact O-N 3.13Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 2.74Å; D93-R97 IonicContact OD1-NE 2.68Å; D93-R97 IonicContact OD2-CZ 2.76Å; D93-R97 IonicContact OD2-NE 2.72Å; D93-R97 PolarHBondContact OD2-NE 2.78Å; D93-R97 IonicContact OD2-NH2 2.62Å; D93-R97 PolarHBondContact OD2-NH2 3.37Å
94	L	93.1	Very high	93.5	Very high	5 Å²	5	52 Å²	52	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-38.6	178.4	-169.3	66.7	0	0	0	111.5	L2 A65 I68 L69 F79 H91 S92 R97 A98	L2-L94 HydrophobicContact CD2-CD2 4.11Å; L2-L94 HydrophobicContact CD2-CG 4.02Å; A65-L94 HydrophobicContact CB-CD1 4.01Å; I68-L94 HydrophobicContact CG2-CD2 4.5Å; L69-L94 HydrophobicContact CD1-CD1 4.18Å; L69-L94 HydrophobicContact CD2-CD1 3.91Å; L69-L94 HydrophobicContact CD2-CG 4.34Å; L69-L94 HydrophobicContact CG-CD1 3.97Å; F79-L94 HydrophobicContact CB-CD2 4.23Å; F79-L94 HydrophobicContact CD1-CD2 3.79Å; F79-L94 HydrophobicContact CD2-CD2 4.26Å; F79-L94 HydrophobicContact CE1-CD2 4.21Å; F79-L94 HydrophobicContact CG-CD2 3.82Å; H91-L94 WeakPolarHBondContact O-CB 3.24Å; H91-L94 PolarHBondContact O-N 3.22Å; S92-L94 VanDerWaalsContact C-N 3.34Å; S92-L94 PolarHBondContact O-N 3.33Å; L94-R97 PolarHBondContact O-N 2.98Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.88Å
95	V	95.6	Very high	93.6	Very high	14 Å²	14	56.2 Å²	56.2	9%	0.085	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-42.4	174.3	176.2	0	0	0	0	111.5	L4 F86 H91 S92 D93 A98 T99 Y105	L4-V95 HydrophobicContact CD1-CG2 3.88Å; L4-V95 HydrophobicContact CD2-CG2 3.67Å; L4-V95 HydrophobicContact CG-CG2 4.46Å; F86-V95 HydrophobicContact CE1-CG2 4.21Å; F86-V95 HydrophobicContact CZ-CG2 4.07Å; H91-V95 PolarHBondContact O-N 3.49Å; S92-V95 WeakPolarHBondContact O-CB 3.28Å; S92-V95 PolarHBondContact O-N 2.95Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.05Å; V95-A98 PolarHBondContact O-N 3.24Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 2.84Å; V95-T99 PolarHBondContact O-OG1 3.33Å; V95-Y105 HydrophobicContact CG1-CD1 3.98Å; V95-Y105 HydrophobicContact CG1-CD2 3.94Å; V95-Y105 HydrophobicContact CG1-CE1 3.56Å; V95-Y105 HydrophobicContact CG1-CE2 3.52Å; V95-Y105 HydrophobicContact CG1-CG 4.16Å; V95-Y105 HydrophobicContact CG2-CD2 4.29Å; V95-Y105 HydrophobicContact CG2-CE2 4.37Å
96	L	96.1	Very high	93.8	Very high	101 Å²	101	61.5 Å²	61.5	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-42.5	176.9	-68.7	173.5	0	0	0	111.4	S92 D93 T99 K100	S92-L96 WeakPolarHBondContact O-CG 3.35Å; S92-L96 PolarHBondContact O-N 2.72Å; D93-L96 WeakPolarHBondContact O-CB 3.5Å; D93-L96 PolarHBondContact O-N 2.77Å; D93-L96 VanDerWaalsContact O-N 3.13Å; L96-T99 PolarHBondContact O-N 3.47Å; L96-K100 WeakPolarHBondContact O-CG 3.48Å; L96-K100 PolarHBondContact O-N 2.87Å
97	R	95.6	Very high	93.9	Very high	62 Å²	62	59.5 Å²	59.5	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-48.1	175.2	-68.1	-176.5	-163.6	-153.7	10.4	111.8	E62 L69 D93 L94 T99 K100 L101	E62-R97 PolarHBondContact O-NH2 3.27Å; L69-R97 HydrophobicContact CD1-CB 3.6Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 2.74Å; D93-R97 IonicContact OD1-NE 2.68Å; D93-R97 IonicContact OD2-CZ 2.76Å; D93-R97 IonicContact OD2-NE 2.72Å; D93-R97 PolarHBondContact OD2-NE 2.78Å; D93-R97 IonicContact OD2-NH2 2.62Å; D93-R97 PolarHBondContact OD2-NH2 3.37Å; L94-R97 PolarHBondContact O-N 2.98Å; R97-T99 VanDerWaalsContact C-N 3.29Å; R97-T99 PolarHBondContact O-N 2.98Å; R97-K100 PolarHBondContact O-N 2.87Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 2.94Å; R97-L101 VanDerWaalsContact O-N 3.11Å
98	A	95.9	Very high	94.4	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-45.3	176	0	0	0	0	0	111.6	L2 L69 L94 V95 K100 L101 G102 I103	L2-A98 HydrophobicContact CD2-CB 4.05Å; L69-A98 HydrophobicContact CD2-CB 3.97Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.88Å; V95-A98 PolarHBondContact O-N 3.24Å; A98-K100 PolarHBondContact O-N 3.08Å; A98-L101 CarbonylContact O-C 3.06Å; A98-L101 PolarHBondContact O-N 3.13Å; A98-G102 PolarHBondContact O-N 3.29Å; A98-I103 HydrophobicContact CB-CB 4.14Å; A98-I103 HydrophobicContact CB-CG2 4.33Å; A98-I103 WeakPolarHBondContact O-CB 3.41Å; A98-I103 PolarHBondContact O-N 2.7Å
99	T	96.6	Very high	95.1	Very high	80 Å²	80	61.5 Å²	61.5	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-43.5	178.4	-57	0	0	0	0	112.1	V95 L96 R97 L101 G102	V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 2.84Å; V95-T99 PolarHBondContact O-OG1 3.33Å; L96-T99 PolarHBondContact O-N 3.47Å; R97-T99 VanDerWaalsContact C-N 3.29Å; R97-T99 PolarHBondContact O-N 2.98Å; T99-L101 VanDerWaalsContact C-N 3.25Å; T99-L101 PolarHBondContact O-N 3.26Å; T99-G102 PolarHBondContact O-N 3.5Å; T99-G102 VanDerWaalsContact O-N 3.12Å
100	K	96.8	Very high	95.7	Very high	174 Å²	174	61.7 Å²	61.7	76%	0.757	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-32.6	177	-74.4	173.1	-177.8	174.6	0	112.8	L96 R97 A98 G102	L96-K100 WeakPolarHBondContact O-CG 3.48Å; L96-K100 PolarHBondContact O-N 2.87Å; R97-K100 PolarHBondContact O-N 2.87Å; A98-K100 PolarHBondContact O-N 3.08Å; K100-G102 VanDerWaalsContact C-N 3.3Å
101	L	96.1	Very high	96.2	Very high	105 Å²	105	59.4 Å²	59.4	55%	0.55	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.9	178.1	-65.1	174.7	0	0	0	113.3	L69 R97 A98 T99 I103	L69-L101 HydrophobicContact CB-CD1 4.42Å; L69-L101 HydrophobicContact CD1-CD1 4.03Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 2.94Å; R97-L101 VanDerWaalsContact O-N 3.11Å; A98-L101 CarbonylContact O-C 3.06Å; A98-L101 PolarHBondContact O-N 3.13Å; T99-L101 VanDerWaalsContact C-N 3.25Å; T99-L101 PolarHBondContact O-N 3.26Å; L101-I103 HydrophobicContact CB-CD1 3.81Å; L101-I103 HydrophobicContact CB-CG1 4Å; L101-I103 HydrophobicContact CD1-CD1 3.97Å; L101-I103 PolarHBondContact O-N 3.16Å
102	G	96.7	Very high	96.4	Very high	63 Å²	63	59.7 Å²	59.7	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	15.7	-176	0	0	0	0	0	113.9	A98 T99 K100	A98-G102 PolarHBondContact O-N 3.29Å; T99-G102 PolarHBondContact O-N 3.5Å; T99-G102 VanDerWaalsContact O-N 3.12Å; K100-G102 VanDerWaalsContact C-N 3.3Å
103	I	97.9	Very high	96.5	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.062	31%	0.307	C	S	.	.			trans	-79.7	120.9	178.3	-64.8	165.8	0	0	0	108.2	L2 L69 A72 D73 A98 L101	L2-I103 HydrophobicContact CB-CG2 4.24Å; L69-I103 HydrophobicContact CB-CD1 3.97Å; L69-I103 HydrophobicContact CD2-CD1 4.48Å; L69-I103 WeakPolarHBondContact O-CD1 3.48Å; A72-I103 HydrophobicContact CB-CD1 4.4Å; A72-I103 HydrophobicContact CB-CG2 3.82Å; D73-I103 HydrophobicContact CB-CG1 4.22Å; A98-I103 HydrophobicContact CB-CB 4.14Å; A98-I103 HydrophobicContact CB-CG2 4.33Å; A98-I103 WeakPolarHBondContact O-CB 3.41Å; A98-I103 PolarHBondContact O-N 2.7Å; L101-I103 HydrophobicContact CB-CD1 3.81Å; L101-I103 HydrophobicContact CB-CG1 4Å; L101-I103 HydrophobicContact CD1-CD1 3.97Å; L101-I103 PolarHBondContact O-N 3.16Å
104	P	97.4	Very high	96.7	Very high	67 Å²	67	58.8 Å²	58.8	44%	0.435	31%	0.308	S	S	.	.			trans	-64.3	146.2	173.1	27.2	-32.4	0	0	0	109.3	M1 L2	M1-P104 HydrophobicContact CB-CG 4.04Å; M1-P104 HydrophobicContact CG-CB 3.89Å; M1-P104 HydrophobicContact CG-CG 3.95Å; M1-P104 WeakPolarHBondContact CG-O 3.43Å; M1-P104 HydrophobicContact SD-CB 4.17Å; L2-P104 PolarHBondContact N-O 2.87Å
105	Y	97.8	Very high	96.9	Very high	105 Å²	105	62.4 Å²	62.4	41%	0.412	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.8	175.7	74.4	-87.1	0	0	0	112.2	L2 V95 V107	L2-Y105 CarbonylContact O-C 3.46Å; L2-Y105 WeakPolarHBondContact O-CA 2.85Å; V95-Y105 HydrophobicContact CG1-CD1 3.98Å; V95-Y105 HydrophobicContact CG1-CD2 3.94Å; V95-Y105 HydrophobicContact CG1-CE1 3.56Å; V95-Y105 HydrophobicContact CG1-CE2 3.52Å; V95-Y105 HydrophobicContact CG1-CG 4.16Å; V95-Y105 HydrophobicContact CG2-CD2 4.29Å; V95-Y105 HydrophobicContact CG2-CE2 4.37Å; Y105-V107 HydrophobicContact CD2-CG2 4.09Å; Y105-V107 HydrophobicContact CE2-CG2 4.06Å
106	R	98.1	Very high	97	Very high	112 Å²	112	63 Å²	63	42%	0.423	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.9	172.6	-174.5	170.4	-174.7	174.9	3.7	110.7	M1 L2 Y3 L4	M1-R106 HydrophobicContact CE-CB 4.11Å; M1-R106 HydrophobicContact SD-CB 4.33Å; L2-R106 PolarHBondContact O-N 2.85Å; Y3-R106 CarbonylContact C-O 3.47Å; Y3-R106 VanDerWaalsContact CA-O 3.3Å; Y3-R106 WeakPolarHBondContact CA-O 3.42Å; Y3-R106 HydrophobicContact CD1-CB 3.89Å; Y3-R106 HydrophobicContact CD1-CG 4.36Å; Y3-R106 HydrophobicContact CE1-CB 4.01Å; Y3-R106 HydrophobicContact CE1-CG 4.37Å; L4-R106 PolarHBondContact N-O 2.85Å
107	V	98.4	Very high	97	Very high	32 Å²	32	58.1 Å²	58.1	19%	0.194	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.1	174.6	-172.9	0	0	0	0	109.6	L4 P85 F86 Y105	L4-V107 HydrophobicContact CB-CG2 4.45Å; L4-V107 CarbonylContact O-C 3.47Å; L4-V107 WeakPolarHBondContact O-CA 3.43Å; P85-V107 HydrophobicContact CB-CG1 4.35Å; P85-V107 HydrophobicContact CG-CG1 4.16Å; F86-V107 HydrophobicContact CD2-CG1 4.38Å; F86-V107 HydrophobicContact CE2-CB 4.25Å; F86-V107 HydrophobicContact CE2-CG1 3.67Å; F86-V107 HydrophobicContact CE2-CG2 3.74Å; F86-V107 HydrophobicContact CZ-CG1 4.2Å; F86-V107 HydrophobicContact CZ-CG2 3.69Å; Y105-V107 HydrophobicContact CD2-CG2 4.09Å; Y105-V107 HydrophobicContact CE2-CG2 4.06Å
108	I	98.5	Very high	97.1	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	104.7	171.1	-60	173.6	0	0	0	106.7	Y3 L4 I5 G6 T16 K18 A22	Y3-I108 HydrophobicContact CD1-CD1 4.24Å; L4-I108 PolarHBondContact O-N 2.99Å; I5-I108 HydrophobicContact CD1-CD1 4.24Å; I5-I108 HydrophobicContact CG1-CB 4.38Å; I5-I108 HydrophobicContact CG1-CD1 4.12Å; I5-I108 HydrophobicContact CG2-CB 4.22Å; I5-I108 HydrophobicContact CG2-CG2 4.31Å; G6-I108 PolarHBondContact N-O 3.27Å; T16-I108 WeakPolarHBondContact OG1-CG2 3.38Å; K18-I108 HydrophobicContact CB-CG2 4.41Å; K18-I108 HydrophobicContact CD-CG1 4.3Å; K18-I108 HydrophobicContact CD-CG2 4.34Å; K18-I108 HydrophobicContact CG-CD1 4.03Å; K18-I108 HydrophobicContact CG-CG1 4.32Å; K18-I108 HydrophobicContact CG-CG2 4.27Å; A22-I108 HydrophobicContact CB-CD1 3.6Å
109	H	98.4	Very high	97.2	Very high	110 Å²	110	58.7 Å²	58.7	51%	0.509	33%	0.325	S	S	.	.			trans	-71	162	-177.6	-66.7	-68.8	0	0	0	113.3	D84 F86	D84-H109 IonicContact OD1-ND1 3.74Å; D84-H109 WeakPolarHBondContact OD2-CA 3.46Å; D84-H109 VanDerWaalsContact OD2-CB 3.29Å; D84-H109 WeakPolarHBondContact OD2-CB 3.23Å; D84-H109 IonicContact OD2-CG 3.86Å; D84-H109 IonicContact OD2-ND1 2.66Å; D84-H109 PolarHBondContact OD2-ND1 2.97Å; F86-H109 AromaticContact CD2-CE1 3.98Å
110	N	97.7	Very high	97.3	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.193	30%	0.302	C	S	.	.			trans	-150.4	-173.2	172.2	-147.4	-27.8	0	0	0	111.8	G6 L7 G8 D14 G83 D84	G6-N110 WeakPolarHBondContact O-CB 3.48Å; G6-N110 PolarHBondContact O-ND2 2.81Å; L7-N110 VanDerWaalsContact C-ND2 3.27Å; G8-N110 PolarHBondContact N-ND2 3.49Å; G8-N110 VanDerWaalsContact N-ND2 3.18Å; D14-N110 PolarHBondContact O-ND2 3.46Å; D14-N110 PolarHBondContact O-OD1 2.96Å; G83-N110 WeakPolarHBondContact O-CB 3.49Å; D84-N110 PolarHBondContact OD2-N 3.34Å
111	A	96.1	Very high	97.3	Very high	36 Å²	36	47.5 Å²	47.5	30%	0.298	27%	0.274	S	S	.	.			trans	-62.6	146	170.2	0	0	0	0	0	111.2	L9 G83 D84	L9-A111 HydrophobicContact CD1-CB 4.4Å; L9-A111 HydrophobicContact CG-CB 4.44Å; G83-A111 CarbonylContact C-O 3.54Å; G83-A111 WeakPolarHBondContact CA-O 3.4Å; D84-A111 PolarHBondContact N-O 3.34Å
112	S	96.1	Very high	97.4	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.07	25%	0.249	C	C	.	.			trans	-129.7	156.6	177.8	172.3	0	0	0	0	109.7	G87 M114 N115 A116	G87-S112 WeakPolarHBondContact CA-OG 3.45Å; S112-M114 PolarHBondContact O-N 3.48Å; S112-M114 WeakPolarHBondContact OG-CG 3.48Å; S112-M114 PolarHBondContact OG-N 3.21Å; S112-M114 VanDerWaalsContact OG-N 3.16Å; S112-N115 VanDerWaalsContact C-OD1 3.3Å; S112-N115 WeakPolarHBondContact CA-OD1 3.31Å; S112-N115 WeakPolarHBondContact CB-OD1 3.33Å; S112-N115 PolarHBondContact N-OD1 3.41Å; S112-N115 PolarHBondContact O-N 3.43Å; S112-N115 PolarHBondContact O-OD1 3.29Å; S112-A116 WeakPolarHBondContact O-CB 3.42Å; S112-A116 PolarHBondContact O-N 2.75Å
113	I	95.4	Very high	97.4	Very high	31 Å²	31	41.6 Å²	41.6	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-30.7	170	-170.3	61.5	0	0	0	111.3	N115 A116 V117 L162 V225	I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.84Å; I113-A116 PolarHBondContact O-N 3.11Å; I113-V117 HydrophobicContact CD1-CG1 3.72Å; I113-V117 HydrophobicContact CG1-CG1 3.93Å; I113-V117 WeakPolarHBondContact O-CG1 3.5Å; I113-V117 WeakPolarHBondContact O-CG2 3.12Å; I113-V117 PolarHBondContact O-N 2.92Å; I113-L162 HydrophobicContact CG2-CD2 3.79Å; I113-V225 HydrophobicContact CD1-CB 3.92Å; I113-V225 HydrophobicContact CD1-CG1 4.31Å; I113-V225 HydrophobicContact CD1-CG2 3.88Å
114	M	96.6	Very high	97.4	Very high	73 Å²	73	44.7 Å²	44.7	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-33.1	-180	-63.2	-62.3	-73.3	0	0	114.2	G87 S112 T130 L160	G87-M114 WeakPolarHBondContact O-CG 3.46Å; S112-M114 PolarHBondContact O-N 3.48Å; S112-M114 WeakPolarHBondContact OG-CG 3.48Å; S112-M114 PolarHBondContact OG-N 3.21Å; S112-M114 VanDerWaalsContact OG-N 3.16Å; M114-T130 HydrophobicContact CE-CG2 4.21Å; M114-T130 WeakPolarHBondContact CE-OG1 3.37Å; M114-T130 HydrophobicContact SD-CG2 4Å; M114-L160 HydrophobicContact SD-CD2 3.78Å
115	N	96.8	Very high	97.4	Very high	81 Å²	81	50 Å²	50	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-105.4	-32.2	176.7	58.1	-35.2	0	0	0	112.4	S112 I113 V117 G118 L124	S112-N115 VanDerWaalsContact C-OD1 3.3Å; S112-N115 WeakPolarHBondContact CA-OD1 3.31Å; S112-N115 WeakPolarHBondContact CB-OD1 3.33Å; S112-N115 PolarHBondContact N-OD1 3.41Å; S112-N115 PolarHBondContact O-N 3.43Å; S112-N115 PolarHBondContact O-OD1 3.29Å; I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.84Å; N115-V117 PolarHBondContact O-N 3.22Å; N115-G118 PolarHBondContact O-N 3.32Å; N115-L124 HydrophobicContact CB-CD1 4.2Å
116	A	97.6	Very high	97.3	Very high	26 Å²	26	46.9 Å²	46.9	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-23.5	-177.9	0	0	0	0	0	113.2	L9 S112 I113 G118 C119 V225	L9-A116 HydrophobicContact CD1-CB 3.43Å; L9-A116 VanDerWaalsContact CD1-CB 3.43Å; S112-A116 WeakPolarHBondContact O-CB 3.42Å; S112-A116 PolarHBondContact O-N 2.75Å; I113-A116 PolarHBondContact O-N 3.11Å; A116-G118 PolarHBondContact O-N 3.49Å; A116-C119 WeakPolarHBondContact O-CB 3.42Å; A116-C119 PolarHBondContact O-N 3.28Å; A116-C119 PolarHBondContact O-SG 3.03Å; A116-V225 HydrophobicContact CB-CG1 3.55Å
117	V	97.5	Very high	97.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-56.9	-19.5	173.4	-70.8	0	0	0	0	113.9	I113 N115 C119 C120 L124 F127 L160 L222 I253	I113-V117 HydrophobicContact CD1-CG1 3.72Å; I113-V117 HydrophobicContact CG1-CG1 3.93Å; I113-V117 WeakPolarHBondContact O-CG1 3.5Å; I113-V117 WeakPolarHBondContact O-CG2 3.12Å; I113-V117 PolarHBondContact O-N 2.92Å; N115-V117 PolarHBondContact O-N 3.22Å; V117-C119 PolarHBondContact O-N 3.02Å; V117-C120 PolarHBondContact O-N 3.31Å; V117-C120 VanDerWaalsContact O-N 3.16Å; V117-C120 PolarHBondContact O-SG 3.27Å; V117-L124 HydrophobicContact CG2-CD2 3.95Å; V117-F127 HydrophobicContact CG2-CE1 4.29Å; V117-F127 HydrophobicContact CG2-CZ 4.19Å; V117-L160 HydrophobicContact CG1-CD1 3.74Å; V117-L160 HydrophobicContact CG1-CD2 4.19Å; V117-L160 HydrophobicContact CG2-CD2 4.34Å; V117-L222 HydrophobicContact CG1-CD2 4.37Å; V117-I253 HydrophobicContact CB-CD1 4.05Å; V117-I253 HydrophobicContact CG1-CD1 4.37Å
118	G	97.7	Very high	97.3	Very high	24 Å²	24	42.6 Å²	42.6	25%	0.247	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.9	-16.4	172.8	0	0	0	0	0	114	N115 A116 C120 G121	N115-G118 PolarHBondContact O-N 3.32Å; A116-G118 PolarHBondContact O-N 3.49Å; G118-C120 PolarHBondContact O-N 3.36Å; G118-C120 VanDerWaalsContact O-N 3.16Å; G118-G121 PolarHBondContact O-N 2.99Å
119	C	97.7	Very high	97.3	Very high	50 Å²	50	46.8 Å²	46.8	34%	0.338	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.5	173.8	66	0	0	0	0	114	A116 V117 G121 I232	A116-C119 WeakPolarHBondContact O-CB 3.42Å; A116-C119 PolarHBondContact O-N 3.28Å; A116-C119 PolarHBondContact O-SG 3.03Å; V117-C119 PolarHBondContact O-N 3.02Å; C119-G121 PolarHBondContact O-N 3.01Å; C119-I232 HydrophobicContact CB-CD1 4.42Å
120	C	97.5	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-76.9	-4.1	172.6	71.9	0	0	0	0	114	V117 G118 V220 L222 I232 L267	V117-C120 PolarHBondContact O-N 3.31Å; V117-C120 VanDerWaalsContact O-N 3.16Å; V117-C120 PolarHBondContact O-SG 3.27Å; G118-C120 PolarHBondContact O-N 3.36Å; G118-C120 VanDerWaalsContact O-N 3.16Å; C120-V220 HydrophobicContact CB-CG1 3.86Å; C120-L222 HydrophobicContact CB-CD2 4.28Å; C120-I232 HydrophobicContact CB-CD1 4.46Å; C120-I232 HydrophobicContact CB-CG2 3.98Å; C120-L267 WeakPolarHBondContact O-CD2 3.47Å
121	G	97.4	Very high	97.3	Very high	18 Å²	18	41.8 Å²	41.8	19%	0.186	23%	0.23	C	C	.	.	S	Bend	trans	88.5	-3.8	179.1	0	0	0	0	0	115.3	G118 C119	G118-G121 PolarHBondContact O-N 2.99Å; C119-G121 PolarHBondContact O-N 3.01Å
122	L	98.1	Very high	97.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	24%	0.24	C	C	.	.			trans	-71.1	138.8	169.3	-66.1	179.2	0	0	0	110.9	L124 F127 V220 I253 T255 E263 L267	L122-L124 PolarHBondContact O-N 3.45Å; L122-F127 HydrophobicContact CB-CE2 3.8Å; L122-F127 HydrophobicContact CB-CZ 3.94Å; L122-F127 HydrophobicContact CD1-CZ 4.12Å; L122-V220 HydrophobicContact CD1-CG2 4.14Å; L122-I253 HydrophobicContact CD1-CD1 4.3Å; L122-I253 HydrophobicContact CD1-CG2 3.66Å; L122-T255 HydrophobicContact CD1-CG2 4.34Å; L122-E263 HydrophobicContact CD2-CB 4.04Å; L122-E263 HydrophobicContact CD2-CG 4.29Å; L122-L267 HydrophobicContact CD2-CD1 4.03Å; L122-L267 HydrophobicContact CD2-CD2 4.5Å; L122-L267 HydrophobicContact CD2-CG 4.42Å; L122-L267 HydrophobicContact CG-CD2 4.35Å
123	Q	97.5	Very high	97.4	Very high	40 Å²	40	43 Å²	43	19%	0.187	24%	0.237	C	C	.	.			trans	-75.6	120	-176	-66.1	173.9	-18.9	0	0	110.3	Y125 K126 F127 E263	Q123-Y125 HydrophobicContact CB-CD1 4.25Å; Q123-Y125 HydrophobicContact CB-CD2 4.44Å; Q123-Y125 HydrophobicContact CB-CE1 3.85Å; Q123-Y125 HydrophobicContact CB-CE2 4.01Å; Q123-Y125 VanDerWaalsContact CD-CZ 3.48Å; Q123-Y125 HydrophobicContact CG-CE1 4.22Å; Q123-Y125 PolarHBondContact NE2-OH 2.99Å; Q123-Y125 VanDerWaalsContact NE2-OH 3.1Å; Q123-Y125 PolarHBondContact O-N 3.44Å; Q123-Y125 VanDerWaalsContact O-N 3.12Å; Q123-Y125 PolarHBondContact OE1-OH 3.27Å; Q123-K126 HydrophobicContact CB-CB 4.47Å; Q123-K126 HydrophobicContact CB-CD 4.17Å; Q123-K126 HydrophobicContact CB-CG 4.17Å; Q123-K126 WeakPolarHBondContact O-CB 3.48Å; Q123-K126 PolarHBondContact O-N 2.88Å; Q123-K126 VanDerWaalsContact OE1-CD 3.29Å; Q123-F127 WeakPolarHBondContact O-CD2 3.28Å; Q123-E263 WeakPolarHBondContact CB-OE1 3.47Å; Q123-E263 HydrophobicContact CG-CG 4Å; Q123-E263 WeakPolarHBondContact CG-OE1 3.25Å; Q123-E263 PolarHBondContact N-OE1 2.88Å
124	L	97.6	Very high	97.4	Very high	78 Å²	78	43.2 Å²	43.2	41%	0.408	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-55.9	-34.2	-176.5	-68.9	178.5	0	0	0	113.7	N115 V117 L122 K126 F127	N115-L124 HydrophobicContact CB-CD1 4.2Å; V117-L124 HydrophobicContact CG2-CD2 3.95Å; L122-L124 PolarHBondContact O-N 3.45Å; L124-K126 PolarHBondContact O-N 2.66Å; L124-F127 HydrophobicContact CD2-CE2 4.4Å; L124-F127 PolarHBondContact O-N 3.22Å
125	Y	96.1	Very high	97.3	Very high	177 Å²	177	41 Å²	41	69%	0.694	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-73	-7.2	178	58.7	-103	0	0	0	114.1	Q123	Q123-Y125 HydrophobicContact CB-CD1 4.25Å; Q123-Y125 HydrophobicContact CB-CD2 4.44Å; Q123-Y125 HydrophobicContact CB-CE1 3.85Å; Q123-Y125 HydrophobicContact CB-CE2 4.01Å; Q123-Y125 VanDerWaalsContact CD-CZ 3.48Å; Q123-Y125 HydrophobicContact CG-CE1 4.22Å; Q123-Y125 PolarHBondContact NE2-OH 2.99Å; Q123-Y125 VanDerWaalsContact NE2-OH 3.1Å; Q123-Y125 PolarHBondContact O-N 3.44Å; Q123-Y125 VanDerWaalsContact O-N 3.12Å; Q123-Y125 PolarHBondContact OE1-OH 3.27Å
126	K	96.9	Very high	97.2	Very high	41 Å²	41	38.8 Å²	38.8	18%	0.178	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-97.8	4.9	173.4	-64.7	-176.2	71.3	-164.9	0	112.6	Q123 L124 M157 H158 S258 E263	Q123-K126 HydrophobicContact CB-CB 4.47Å; Q123-K126 HydrophobicContact CB-CD 4.17Å; Q123-K126 HydrophobicContact CB-CG 4.17Å; Q123-K126 WeakPolarHBondContact O-CB 3.48Å; Q123-K126 PolarHBondContact O-N 2.88Å; Q123-K126 VanDerWaalsContact OE1-CD 3.29Å; L124-K126 PolarHBondContact O-N 2.66Å; K126-M157 CarbonylContact O-C 3.57Å; K126-M157 WeakPolarHBondContact O-CA 3.44Å; K126-M157 WeakPolarHBondContact O-CB 3.29Å; K126-H158 PolarHBondContact O-CD2 2.88Å; K126-H158 PolarHBondContact O-N 2.92Å; K126-S258 PolarHBondContact NZ-O 3.26Å; K126-E263 IonicContact NZ-OE2 3.31Å; K126-E263 PolarHBondContact NZ-OE2 3.48Å
127	F	98.2	Very high	96.8	Very high	34 Å²	34	40.9 Å²	40.9	15%	0.149	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-81.9	133.5	171.6	-75.9	-105.4	0	0	0	110.7	V117 L122 Q123 L124 H158 L160 I253	V117-F127 HydrophobicContact CG2-CE1 4.29Å; V117-F127 HydrophobicContact CG2-CZ 4.19Å; L122-F127 HydrophobicContact CB-CE2 3.8Å; L122-F127 HydrophobicContact CB-CZ 3.94Å; L122-F127 HydrophobicContact CD1-CZ 4.12Å; Q123-F127 WeakPolarHBondContact O-CD2 3.28Å; L124-F127 HydrophobicContact CD2-CE2 4.4Å; L124-F127 PolarHBondContact O-N 3.22Å; F127-H158 WeakPolarHBondContact CA-O 3.19Å; F127-H158 HydrophobicContact CD1-CB 4.01Å; F127-H158 HydrophobicContact CD2-CB 4.35Å; F127-H158 HydrophobicContact CE1-CB 4.02Å; F127-H158 HydrophobicContact CE2-CB 4.36Å; F127-H158 HydrophobicContact CG-CB 4.19Å; F127-H158 HydrophobicContact CZ-CB 4.2Å; F127-L160 HydrophobicContact CD1-CB 3.97Å; F127-L160 HydrophobicContact CE1-CB 4.13Å; F127-I253 HydrophobicContact CE1-CD1 4.02Å; F127-I253 HydrophobicContact CE1-CG1 4.22Å; F127-I253 HydrophobicContact CE1-CG2 3.77Å; F127-I253 HydrophobicContact CZ-CD1 3.94Å; F127-I253 HydrophobicContact CZ-CG2 4.14Å
128	G	97.8	Very high	96.3	Very high	19 Å²	19	48.2 Å²	48.2	20%	0.196	26%	0.263	C	S	.	.			trans	-92.5	-149.6	174.9	0	0	0	0	0	112.2	T130 N152 M157 H158	G128-T130 PolarHBondContact O-N 3.16Å; G128-N152 WeakPolarHBondContact CA-OD1 3.36Å; G128-M157 VanDerWaalsContact CA-SD 3.54Å; G128-H158 PolarHBondContact N-O 3.06Å
129	E	97.7	Very high	95.9	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.439	29%	0.291	S	S	.	.			trans	-63.7	122.4	178.9	-168.4	178.6	172.6	0	0	110.7	K148 N152	E129-K148 VanDerWaalsContact CD-CD 3.5Å; E129-K148 HydrophobicContact CG-CD 4.22Å; E129-K148 WeakPolarHBondContact OE1-CD 3.48Å; E129-K148 WeakPolarHBondContact OE1-CE 3.48Å; E129-K148 IonicContact OE1-NZ 3.09Å; E129-K148 PolarHBondContact OE1-NZ 3.2Å; E129-N152 PolarHBondContact N-ND2 3.09Å; E129-N152 PolarHBondContact N-OD1 3.2Å; E129-N152 PolarHBondContact O-ND2 3.14Å
130	T	98.2	Very high	95.6	Very high	37 Å²	37	57.7 Å²	57.7	23%	0.227	30%	0.299	C	S	.	.			trans	-71.9	144.9	175.3	-65.3	0	0	0	0	110.4	M114 G128 L160 L162	M114-T130 HydrophobicContact CE-CG2 4.21Å; M114-T130 WeakPolarHBondContact CE-OG1 3.37Å; M114-T130 HydrophobicContact SD-CG2 4Å; G128-T130 PolarHBondContact O-N 3.16Å; T130-L160 WeakPolarHBondContact CA-O 3.04Å; T130-L160 HydrophobicContact CG2-CB 4.18Å; T130-L160 HydrophobicContact CG2-CD2 4.26Å; T130-L160 HydrophobicContact CG2-CG 4.11Å; T130-L160 WeakPolarHBondContact CG2-O 3.32Å; T130-L162 HydrophobicContact CG2-CD1 3.98Å; T130-L162 HydrophobicContact CG2-CG 3.84Å
131	V	97.9	Very high	95.4	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160.8	-177.8	-55.4	0	0	0	0	111.7	F145 K148 V149 T159 L160 C161 L162	V131-F145 HydrophobicContact CB-CB 4.16Å; V131-F145 HydrophobicContact CG2-CD2 4.37Å; V131-K148 HydrophobicContact CG1-CB 3.64Å; V131-K148 HydrophobicContact CG1-CD 3.92Å; V131-K148 HydrophobicContact CG1-CG 4.43Å; V131-V149 HydrophobicContact CG1-CG2 4.42Å; V131-V149 HydrophobicContact CG2-CG2 4.18Å; V131-T159 HydrophobicContact CG1-CG2 4.01Å; V131-T159 HydrophobicContact CG2-CG2 3.88Å; V131-L160 PolarHBondContact N-O 3.13Å; V131-C161 HydrophobicContact CG2-CB 3.96Å; V131-C161 WeakPolarHBondContact CG2-SG 3.43Å; V131-C161 WeakPolarHBondContact O-CA 3.5Å; V131-L162 PolarHBondContact O-N 3.16Å
132	S	96.6	Very high	95.2	Very high	73 Å²	73	63.7 Å²	63.7	51%	0.51	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	171	-59.9	0	0	0	0	109.8	L162	S132-L162 CarbonylContact C-O 3.49Å; S132-L162 WeakPolarHBondContact CA-O 3.19Å
133	I	97.7	Very high	95	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.2	171.9	-55.7	-179.7	0	0	0	107	F145 C161 L162 L163 D164 M188 A193 L197	I133-F145 HydrophobicContact CD1-CE2 4.11Å; I133-F145 HydrophobicContact CG1-CD2 4.08Å; I133-F145 HydrophobicContact CG1-CE2 3.74Å; I133-F145 HydrophobicContact CG1-CZ 4.04Å; I133-F145 HydrophobicContact CG2-CE1 4.4Å; I133-F145 HydrophobicContact CG2-CZ 4.08Å; I133-C161 HydrophobicContact CD1-CB 3.75Å; I133-C161 HydrophobicContact CG1-CB 4.11Å; I133-L162 PolarHBondContact N-O 2.75Å; I133-L163 HydrophobicContact CB-CD2 4.1Å; I133-L163 HydrophobicContact CD1-CD2 4.14Å; I133-L163 HydrophobicContact CG1-CD2 4.39Å; I133-D164 WeakPolarHBondContact O-CB 3.39Å; I133-D164 PolarHBondContact O-N 2.82Å; I133-M188 HydrophobicContact CB-SD 4.05Å; I133-M188 HydrophobicContact CG2-CE 4.22Å; I133-M188 HydrophobicContact CG2-SD 3.67Å; I133-A193 HydrophobicContact CD1-CB 4.06Å; I133-A193 HydrophobicContact CG2-CB 4.35Å; I133-L197 HydrophobicContact CD1-CD1 4.16Å; I133-L197 HydrophobicContact CD1-CG 4.35Å
134	V	95.4	Very high	94.8	Very high	34 Å²	34	67.5 Å²	67.5	21%	0.206	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-97.4	152.4	-177.9	-64.1	0	0	0	0	111	W136 W140 P142 D164 M188 Q196	V134-W136 PolarHBondContact O-N 3.19Å; V134-W140 HydrophobicContact CB-CH2 4.38Å; V134-W140 HydrophobicContact CB-CZ3 4.19Å; V134-W140 HydrophobicContact CG2-CH2 3.64Å; V134-W140 HydrophobicContact CG2-CZ3 3.55Å; V134-P142 HydrophobicContact CG2-CG 3.41Å; V134-P142 VanDerWaalsContact CG2-CG 3.41Å; V134-D164 WeakPolarHBondContact CA-OD2 3.35Å; V134-M188 WeakPolarHBondContact O-CE 3.31Å; V134-Q196 PolarHBondContact O-NE2 2.93Å
135	F	95.1	Very high	94.6	Very high	26 Å²	26	64.4 Å²	64.4	11%	0.114	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-60	130.3	172.2	-78.6	-71.6	0	0	0	110.2	D164 K166 R186 M188	F135-D164 HydrophobicContact CD2-CB 3.62Å; F135-D164 HydrophobicContact CE2-CB 3.99Å; F135-D164 HydrophobicContact CG-CB 4.4Å; F135-D164 PolarHBondContact N-OD2 3Å; F135-K166 HydrophobicContact CD2-CD 4.33Å; F135-K166 HydrophobicContact CD2-CG 3.48Å; F135-K166 VanDerWaalsContact CD2-CG 3.48Å; F135-K166 HydrophobicContact CE2-CG 3.75Å; F135-R186 HydrophobicContact CE2-CB 4.24Å; F135-R186 HydrophobicContact CZ-CB 4.28Å; F135-M188 HydrophobicContact CB-CE 4.28Å; F135-M188 HydrophobicContact CD1-CE 3.69Å; F135-M188 HydrophobicContact CD2-CE 4.32Å; F135-M188 HydrophobicContact CE1-CB 3.98Å; F135-M188 HydrophobicContact CE1-CE 4.08Å; F135-M188 HydrophobicContact CE1-CG 4.4Å; F135-M188 HydrophobicContact CE2-CB 3.87Å; F135-M188 HydrophobicContact CG-CE 3.84Å; F135-M188 VanDerWaalsContact CZ-CA 3.43Å; F135-M188 HydrophobicContact CZ-CB 3.58Å; F135-M188 HydrophobicContact CZ-CG 4.47Å; F135-M188 VanDerWaalsContact N-CE 3.34Å
136	W	94.4	Very high	94.6	Very high	36 Å²	36	56 Å²	56	14%	0.136	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.2	147.9	166	-76.3	-1.1	0	0	0	111.8	V134 R141 P142 E143 Q196 E199 I200	V134-W136 PolarHBondContact O-N 3.19Å; W136-R141 HydrophobicContact CB-CG 4Å; W136-R141 HydrophobicContact CD2-CB 3.78Å; W136-R141 HydrophobicContact CD2-CG 3.83Å; W136-R141 HydrophobicContact CE3-CB 4.38Å; W136-R141 HydrophobicContact CE3-CG 4.16Å; W136-R141 HydrophobicContact CG-CB 3.89Å; W136-R141 HydrophobicContact CG-CG 3.8Å; W136-R141 HydrophobicContact CZ2-CB 4.34Å; W136-P142 PolarHBondContact NE1-O 2.81Å; W136-E143 HydrophobicContact CZ2-CG 4.43Å; W136-Q196 HydrophobicContact CD2-CG 3.94Å; W136-Q196 HydrophobicContact CE3-CB 4.4Å; W136-Q196 HydrophobicContact CE3-CG 3.84Å; W136-Q196 HydrophobicContact CG-CG 4.39Å; W136-Q196 HydrophobicContact CH2-CB 4.29Å; W136-Q196 HydrophobicContact CZ2-CB 4.39Å; W136-Q196 HydrophobicContact CZ3-CB 4.26Å; W136-Q196 HydrophobicContact CZ3-CG 4.15Å; W136-Q196 VanDerWaalsContact N-OE1 3.09Å; W136-E199 HydrophobicContact CH2-CB 3.98Å; W136-E199 HydrophobicContact CH2-CG 4.2Å; W136-E199 HydrophobicContact CZ3-CB 3.86Å; W136-E199 HydrophobicContact CZ3-CG 3.95Å; W136-E199 WeakPolarHBondContact CZ3-OE1 3.35Å; W136-E199 WeakPolarHBondContact CZ3-OE2 3.41Å; W136-I200 HydrophobicContact CH2-CD1 4.49Å; W136-I200 HydrophobicContact CH2-CG1 3.84Å; W136-I200 HydrophobicContact CZ2-CD1 3.99Å; W136-I200 HydrophobicContact CZ2-CG1 3.74Å
137	T	89.6	Confident	94.6	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.423	31%	0.312	S	S	.	.			trans	-116.1	174	166.3	72.2	0	0	0	0	109.3	T139 W140 R141	T137-T139 PolarHBondContact O-N 2.96Å; T137-T139 PolarHBondContact OG1-N 3.43Å; T137-W140 PolarHBondContact N-O 3.42Å; T137-W140 WeakPolarHBondContact OG1-CB 3.02Å; T137-W140 PolarHBondContact OG1-N 2.95Å; T137-R141 WeakPolarHBondContact O-CG 3.35Å
138	D	86.3	Confident	94.5	Very high	155 Å²	155	60.5 Å²	60.5	83%	0.829	32%	0.321	S	S	*	.	S	Bend	trans	-60.4	-28.6	177.4	-62.3	-32.5	0	0	0	112.8
139	T	89.1	Confident	94.5	Very high	136 Å²	136	59.6 Å²	59.6	83%	0.834	31%	0.311	S	S	*	.	S	Bend	trans	-110.8	-8.6	-174.8	55.7	0	0	0	0	113.9	T137	T137-T139 PolarHBondContact O-N 2.96Å; T137-T139 PolarHBondContact OG1-N 3.43Å
140	W	91.6	Very high	94.4	Very high	137 Å²	137	58.2 Å²	58.2	52%	0.519	30%	0.304	S	S	.	.			trans	-141.1	107.9	-176.1	-172.3	75.4	0	0	0	111.5	V134 T137 P142	V134-W140 HydrophobicContact CB-CH2 4.38Å; V134-W140 HydrophobicContact CB-CZ3 4.19Å; V134-W140 HydrophobicContact CG2-CH2 3.64Å; V134-W140 HydrophobicContact CG2-CZ3 3.55Å; T137-W140 PolarHBondContact N-O 3.42Å; T137-W140 WeakPolarHBondContact OG1-CB 3.02Å; T137-W140 PolarHBondContact OG1-N 2.95Å; W140-P142 HydrophobicContact CD2-CG 4.09Å; W140-P142 HydrophobicContact CE3-CG 3.97Å; W140-P142 HydrophobicContact CH2-CB 4.44Å; W140-P142 HydrophobicContact CH2-CG 3.57Å; W140-P142 HydrophobicContact CZ2-CB 4.04Å; W140-P142 HydrophobicContact CZ2-CG 3.62Å; W140-P142 HydrophobicContact CZ3-CG 3.72Å
141	R	95	Very high	94.4	Very high	120 Å²	120	62.2 Å²	62.2	45%	0.453	32%	0.318	S	S	.	.			trans	-128.2	74.5	-178.6	-60.2	-167	177.2	-167.7	-1.5	111	W136 T137 E199	W136-R141 HydrophobicContact CB-CG 4Å; W136-R141 HydrophobicContact CD2-CB 3.78Å; W136-R141 HydrophobicContact CD2-CG 3.83Å; W136-R141 HydrophobicContact CE3-CB 4.38Å; W136-R141 HydrophobicContact CE3-CG 4.16Å; W136-R141 HydrophobicContact CG-CB 3.89Å; W136-R141 HydrophobicContact CG-CG 3.8Å; W136-R141 HydrophobicContact CZ2-CB 4.34Å; T137-R141 WeakPolarHBondContact O-CG 3.35Å; R141-E199 IonicContact CZ-OE1 3.22Å; R141-E199 IonicContact NH1-OE1 3Å; R141-E199 PolarHBondContact NH1-OE1 2.86Å; R141-E199 IonicContact NH1-OE2 3.6Å
142	P	92.8	Very high	94.4	Very high	24 Å²	24	62.3 Å²	62.3	16%	0.156	32%	0.318	C	S	.	.			trans	-69	134	-177.9	30.1	-38.5	0	0	0	111.4	V134 W136 W140 F145	V134-P142 HydrophobicContact CG2-CG 3.41Å; V134-P142 VanDerWaalsContact CG2-CG 3.41Å; W136-P142 PolarHBondContact NE1-O 2.81Å; W140-P142 HydrophobicContact CD2-CG 4.09Å; W140-P142 HydrophobicContact CE3-CG 3.97Å; W140-P142 HydrophobicContact CH2-CB 4.44Å; W140-P142 HydrophobicContact CH2-CG 3.57Å; W140-P142 HydrophobicContact CZ2-CB 4.04Å; W140-P142 HydrophobicContact CZ2-CG 3.62Å; W140-P142 HydrophobicContact CZ3-CG 3.72Å; P142-F145 WeakPolarHBondContact O-CE1 3.47Å
143	E	93.6	Very high	94.3	Very high	38 Å²	38	61.5 Å²	61.5	18%	0.178	30%	0.304	C	S	.	.			trans	-111.1	-1.4	175	-53.6	-175.9	162.8	0	0	111.9	W136 F145 F146 I200 N203 R207	W136-E143 HydrophobicContact CZ2-CG 4.43Å; E143-F145 PolarHBondContact O-N 3.1Å; E143-F145 VanDerWaalsContact O-N 3.1Å; E143-F146 WeakPolarHBondContact O-CB 3.49Å; E143-F146 PolarHBondContact O-N 3Å; E143-I200 HydrophobicContact CB-CD1 4.31Å; E143-I200 HydrophobicContact CB-CG1 4.42Å; E143-I200 HydrophobicContact CG-CD1 4.23Å; E143-I200 HydrophobicContact CG-CG1 3.92Å; E143-N203 PolarHBondContact OE1-ND2 3.3Å; E143-R207 IonicContact OE1-NH2 3.29Å; E143-R207 IonicContact OE2-CZ 2.9Å; E143-R207 IonicContact OE2-NH1 3.29Å; E143-R207 PolarHBondContact OE2-NH1 3.29Å; E143-R207 IonicContact OE2-NH2 3.36Å; E143-R207 PolarHBondContact OE2-NH2 3.45Å
144	S	92.2	Very high	94.1	Very high	86 Å²	86	68 Å²	68	60%	0.601	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-168.3	59.8	0	0	0	0	114.9	F146	S144-F146 PolarHBondContact O-N 3.41Å
145	F	95.3	Very high	94.1	Very high	13 Å²	13	71.9 Å²	71.9	6%	0.057	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.5	174.4	69.5	-96	0	0	0	112.2	V131 I133 P142 E143 D147 K148 V149 L197 I200	V131-F145 HydrophobicContact CB-CB 4.16Å; V131-F145 HydrophobicContact CG2-CD2 4.37Å; I133-F145 HydrophobicContact CD1-CE2 4.11Å; I133-F145 HydrophobicContact CG1-CD2 4.08Å; I133-F145 HydrophobicContact CG1-CE2 3.74Å; I133-F145 HydrophobicContact CG1-CZ 4.04Å; I133-F145 HydrophobicContact CG2-CE1 4.4Å; I133-F145 HydrophobicContact CG2-CZ 4.08Å; P142-F145 WeakPolarHBondContact O-CE1 3.47Å; E143-F145 PolarHBondContact O-N 3.1Å; E143-F145 VanDerWaalsContact O-N 3.1Å; F145-D147 VanDerWaalsContact C-N 3.28Å; F145-D147 PolarHBondContact O-N 3.4Å; F145-K148 WeakPolarHBondContact O-CB 3.36Å; F145-K148 PolarHBondContact O-N 3.35Å; F145-K148 VanDerWaalsContact O-N 3.14Å; F145-V149 HydrophobicContact CD2-CG2 4.46Å; F145-V149 PolarHBondContact O-N 3.22Å; F145-L197 HydrophobicContact CE2-CD2 3.85Å; F145-L197 HydrophobicContact CZ-CD2 4.35Å; F145-I200 HydrophobicContact CE1-CD1 4.19Å; F145-I200 HydrophobicContact CE2-CD1 4.36Å; F145-I200 HydrophobicContact CZ-CD1 3.62Å
146	F	96.2	Very high	94.1	Very high	1 Å²	1	71.7 Å²	71.7	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-66.7	-29.7	-177.4	-165.7	-88.2	0	0	0	112.3	E143 S144 K148 V149 K150 L197 I200 I201 Q204 A212 I213	E143-F146 WeakPolarHBondContact O-CB 3.49Å; E143-F146 PolarHBondContact O-N 3Å; S144-F146 PolarHBondContact O-N 3.41Å; F146-K148 PolarHBondContact O-N 3Å; F146-V149 WeakPolarHBondContact O-CB 3.49Å; F146-V149 PolarHBondContact O-N 3.08Å; F146-K150 WeakPolarHBondContact O-CB 3.03Å; F146-K150 PolarHBondContact O-N 3.17Å; F146-L197 HydrophobicContact CD2-CD2 3.92Å; F146-L197 HydrophobicContact CE2-CD2 4.11Å; F146-I200 HydrophobicContact CB-CG2 4.38Å; F146-I200 HydrophobicContact CD1-CG2 4.27Å; F146-I200 HydrophobicContact CD2-CB 4.39Å; F146-I200 HydrophobicContact CD2-CD1 4.28Å; F146-I200 HydrophobicContact CD2-CG2 3.7Å; F146-I200 HydrophobicContact CE1-CG2 4.47Å; F146-I200 HydrophobicContact CE2-CB 4.48Å; F146-I200 HydrophobicContact CE2-CG2 3.9Å; F146-I200 HydrophobicContact CG-CG2 3.87Å; F146-I200 HydrophobicContact CZ-CG2 4.27Å; F146-I201 HydrophobicContact CZ-CG1 4.49Å; F146-Q204 VanDerWaalsContact CD1-NE2 3.25Å; F146-A212 HydrophobicContact CE1-CB 4.42Å; F146-I213 HydrophobicContact CE2-CD1 3.64Å; F146-I213 HydrophobicContact CE2-CG1 3.69Å; F146-I213 HydrophobicContact CZ-CD1 4.12Å; F146-I213 HydrophobicContact CZ-CG1 3.61Å
147	D	95.1	Very high	94.2	Very high	94 Å²	94	72.7 Å²	72.7	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-34.3	174.7	-71.1	-25.5	0	0	0	112	F145 K151	F145-D147 VanDerWaalsContact C-N 3.28Å; F145-D147 PolarHBondContact O-N 3.4Å; D147-K151 VanDerWaalsContact O-CG 3.28Å; D147-K151 WeakPolarHBondContact O-CG 3.32Å; D147-K151 PolarHBondContact O-N 3.36Å
148	K	97.4	Very high	94.7	Very high	74 Å²	74	69.4 Å²	69.4	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-73.5	-41.7	176.6	-59.6	174.4	176.5	-161.9	0	111.2	E129 V131 F145 F146 K150 K151 N152	E129-K148 VanDerWaalsContact CD-CD 3.5Å; E129-K148 HydrophobicContact CG-CD 4.22Å; E129-K148 WeakPolarHBondContact OE1-CD 3.48Å; E129-K148 WeakPolarHBondContact OE1-CE 3.48Å; E129-K148 IonicContact OE1-NZ 3.09Å; E129-K148 PolarHBondContact OE1-NZ 3.2Å; V131-K148 HydrophobicContact CG1-CB 3.64Å; V131-K148 HydrophobicContact CG1-CD 3.92Å; V131-K148 HydrophobicContact CG1-CG 4.43Å; F145-K148 WeakPolarHBondContact O-CB 3.36Å; F145-K148 PolarHBondContact O-N 3.35Å; F145-K148 VanDerWaalsContact O-N 3.14Å; F146-K148 PolarHBondContact O-N 3Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 3.35Å; K148-K151 PolarHBondContact O-N 3.27Å; K148-N152 PolarHBondContact O-N 2.9Å
149	V	97.8	Very high	95.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.1	-47.5	172.5	177.5	0	0	0	0	110.3	V131 F145 F146 N152 R153 T159 I213 I254	V131-V149 HydrophobicContact CG1-CG2 4.42Å; V131-V149 HydrophobicContact CG2-CG2 4.18Å; F145-V149 HydrophobicContact CD2-CG2 4.46Å; F145-V149 PolarHBondContact O-N 3.22Å; F146-V149 WeakPolarHBondContact O-CB 3.49Å; F146-V149 PolarHBondContact O-N 3.08Å; V149-N152 PolarHBondContact O-N 3.25Å; V149-R153 WeakPolarHBondContact O-CB 3.32Å; V149-R153 PolarHBondContact O-N 2.57Å; V149-T159 HydrophobicContact CG2-CG2 3.99Å; V149-I213 HydrophobicContact CG1-CG2 4.39Å; V149-I254 HydrophobicContact CG1-CB 4.43Å; V149-I254 HydrophobicContact CG1-CD1 3.61Å; V149-I254 HydrophobicContact CG1-CG2 4.12Å; V149-I254 HydrophobicContact CG2-CD1 4.14Å
150	K	96.1	Very high	95.7	Very high	66 Å²	66	55.7 Å²	55.7	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-49.6	176.4	175.2	168.7	-177.2	174.4	0	111.8	F146 K148 N152 R153 Q154 A212	F146-K150 WeakPolarHBondContact O-CB 3.03Å; F146-K150 PolarHBondContact O-N 3.17Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 3.35Å; K150-N152 PolarHBondContact O-N 3.16Å; K150-R153 PolarHBondContact O-N 3.44Å; K150-Q154 HydrophobicContact CG-CG 4.5Å; K150-Q154 WeakPolarHBondContact O-CB 3.44Å; K150-Q154 VanDerWaalsContact O-CG 3.26Å; K150-Q154 WeakPolarHBondContact O-CG 3.33Å; K150-Q154 PolarHBondContact O-N 3.16Å; K150-A212 HydrophobicContact CB-CB 3.74Å; K150-A212 HydrophobicContact CD-CB 4.11Å; K150-A212 HydrophobicContact CG-CB 3.65Å
151	K	96.6	Very high	96.1	Very high	120 Å²	120	49.2 Å²	49.2	52%	0.522	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-44.7	178.1	-75	170.2	-177	175.3	0	112.4	D147 K148 N155	D147-K151 VanDerWaalsContact O-CG 3.28Å; D147-K151 WeakPolarHBondContact O-CG 3.32Å; D147-K151 PolarHBondContact O-N 3.36Å; K148-K151 PolarHBondContact O-N 3.27Å; K151-N155 PolarHBondContact O-N 3.39Å; K151-N155 PolarHBondContact O-ND2 3.14Å
152	N	97.8	Very high	96.2	Very high	6 Å²	6	45 Å²	45	3%	0.032	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-49.6	177.3	-74.6	-14.1	0	0	0	110.8	G128 E129 K148 V149 K150 Q154 N155 G156 M157 T159	G128-N152 WeakPolarHBondContact CA-OD1 3.36Å; E129-N152 PolarHBondContact N-ND2 3.09Å; E129-N152 PolarHBondContact N-OD1 3.2Å; E129-N152 PolarHBondContact O-ND2 3.14Å; K148-N152 PolarHBondContact O-N 2.9Å; V149-N152 PolarHBondContact O-N 3.25Å; K150-N152 PolarHBondContact O-N 3.16Å; N152-Q154 PolarHBondContact O-N 3.37Å; N152-N155 CarbonylContact O-C 3.51Å; N152-N155 WeakPolarHBondContact O-CA 3.49Å; N152-N155 PolarHBondContact O-N 3.01Å; N152-G156 PolarHBondContact O-N 3.01Å; N152-M157 CarbonylContact C-O 3.51Å; N152-M157 HydrophobicContact CB-CB 4.11Å; N152-M157 WeakPolarHBondContact O-CB 3.41Å; N152-M157 PolarHBondContact O-N 3.3Å; N152-T159 WeakPolarHBondContact CB-OG1 3.49Å; N152-T159 PolarHBondContact ND2-OG1 3.18Å
153	R	95.4	Very high	96.4	Very high	57 Å²	57	44.7 Å²	44.7	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-40.3	-177.4	-172.2	166.4	173.8	80.4	0.2	113	V149 K150 N155 G156 A212 I213 T255 G256	V149-R153 WeakPolarHBondContact O-CB 3.32Å; V149-R153 PolarHBondContact O-N 2.57Å; K150-R153 PolarHBondContact O-N 3.44Å; R153-N155 PolarHBondContact O-N 2.93Å; R153-G156 PolarHBondContact O-N 2.99Å; R153-A212 WeakPolarHBondContact CD-O 3.44Å; R153-A212 PolarHBondContact NE-O 3.22Å; R153-I213 VanDerWaalsContact CD-CG2 3.48Å; R153-T255 PolarHBondContact NH1-O 2.99Å; R153-G256 PolarHBondContact NH1-O 3.36Å
154	Q	93.5	Very high	96.5	Very high	135 Å²	135	44.2 Å²	44.2	63%	0.631	23%	0.225	S	C	*	.	H	α-helix	trans	-59.2	-31	173.4	-75.7	175.2	-21.2	0	0	112.6	K150 N152 G156	K150-Q154 HydrophobicContact CG-CG 4.5Å; K150-Q154 WeakPolarHBondContact O-CB 3.44Å; K150-Q154 VanDerWaalsContact O-CG 3.26Å; K150-Q154 WeakPolarHBondContact O-CG 3.33Å; K150-Q154 PolarHBondContact O-N 3.16Å; N152-Q154 PolarHBondContact O-N 3.37Å; Q154-G156 VanDerWaalsContact C-N 3.35Å
155	N	95.1	Very high	96.4	Very high	117 Å²	117	41.3 Å²	41.3	63%	0.626	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	10	176.9	-67	-41.5	0	0	0	113.4	K151 N152 R153 M157	K151-N155 PolarHBondContact O-N 3.39Å; K151-N155 PolarHBondContact O-ND2 3.14Å; N152-N155 CarbonylContact O-C 3.51Å; N152-N155 WeakPolarHBondContact O-CA 3.49Å; N152-N155 PolarHBondContact O-N 3.01Å; R153-N155 PolarHBondContact O-N 2.93Å; N155-M157 HydrophobicContact CB-CE 3.66Å; N155-M157 HydrophobicContact CB-CG 4.41Å; N155-M157 PolarHBondContact O-N 3.41Å
156	G	94.9	Very high	95.9	Very high	22 Å²	22	42.9 Å²	42.9	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	16	-179	0	0	0	0	0	114.7	N152 R153 Q154	N152-G156 PolarHBondContact O-N 3.01Å; R153-G156 PolarHBondContact O-N 2.99Å; Q154-G156 VanDerWaalsContact C-N 3.35Å
157	M	98	Very high	95.2	Very high	57 Å²	57	44.4 Å²	44.4	28%	0.281	22%	0.219	S	C	.	.			trans	-94.9	143.8	-179.3	-64	-172.1	-78.8	0	0	112.2	K126 G128 N152 N155 G256	K126-M157 CarbonylContact O-C 3.57Å; K126-M157 WeakPolarHBondContact O-CA 3.44Å; K126-M157 WeakPolarHBondContact O-CB 3.29Å; G128-M157 VanDerWaalsContact CA-SD 3.54Å; N152-M157 CarbonylContact C-O 3.51Å; N152-M157 HydrophobicContact CB-CB 4.11Å; N152-M157 WeakPolarHBondContact O-CB 3.41Å; N152-M157 PolarHBondContact O-N 3.3Å; N155-M157 HydrophobicContact CB-CE 3.66Å; N155-M157 HydrophobicContact CB-CG 4.41Å; N155-M157 PolarHBondContact O-N 3.41Å; M157-G256 VanDerWaalsContact O-CA 3.25Å; M157-G256 WeakPolarHBondContact O-CA 3.47Å
158	H	98.5	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-73.2	151.7	168.4	-49.6	-72.7	0	0	0	110	K126 F127 G128 I253 I254 T255 G256 E263	K126-H158 PolarHBondContact O-CD2 2.88Å; K126-H158 PolarHBondContact O-N 2.92Å; F127-H158 WeakPolarHBondContact CA-O 3.19Å; F127-H158 HydrophobicContact CD1-CB 4.01Å; F127-H158 HydrophobicContact CD2-CB 4.35Å; F127-H158 HydrophobicContact CE1-CB 4.02Å; F127-H158 HydrophobicContact CE2-CB 4.36Å; F127-H158 HydrophobicContact CG-CB 4.19Å; F127-H158 HydrophobicContact CZ-CB 4.2Å; G128-H158 PolarHBondContact N-O 3.06Å; H158-I253 HydrophobicContact CB-CG2 4.19Å; H158-I254 WeakPolarHBondContact CA-O 3.48Å; H158-T255 WeakPolarHBondContact ND1-CA 3.29Å; H158-G256 PolarHBondContact ND1-N 3.18Å; H158-G256 VanDerWaalsContact ND1-N 3.18Å; H158-E263 IonicContact NE2-OE1 2.84Å; H158-E263 PolarHBondContact NE2-OE1 2.76Å; H158-E263 IonicContact NE2-OE2 3.13Å
159	T	98.8	Very high	93	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.6	175.5	-52.4	0	0	0	0	109.4	V131 V149 N152 I253 I254	V131-T159 HydrophobicContact CG1-CG2 4.01Å; V131-T159 HydrophobicContact CG2-CG2 3.88Å; V149-T159 HydrophobicContact CG2-CG2 3.99Å; N152-T159 WeakPolarHBondContact CB-OG1 3.49Å; N152-T159 PolarHBondContact ND2-OG1 3.18Å; T159-I253 VanDerWaalsContact O-CA 3.31Å; T159-I253 WeakPolarHBondContact O-CA 3.49Å; T159-I254 PolarHBondContact N-O 2.88Å; T159-I254 PolarHBondContact O-N 2.92Å
160	L	98.8	Very high	91.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.6	164.8	176.3	57.9	0	0	0	108.6	M114 V117 F127 T130 V131 L162 I253	M114-L160 HydrophobicContact SD-CD2 3.78Å; V117-L160 HydrophobicContact CG1-CD1 3.74Å; V117-L160 HydrophobicContact CG1-CD2 4.19Å; V117-L160 HydrophobicContact CG2-CD2 4.34Å; F127-L160 HydrophobicContact CD1-CB 3.97Å; F127-L160 HydrophobicContact CE1-CB 4.13Å; T130-L160 WeakPolarHBondContact CA-O 3.04Å; T130-L160 HydrophobicContact CG2-CB 4.18Å; T130-L160 HydrophobicContact CG2-CD2 4.26Å; T130-L160 HydrophobicContact CG2-CG 4.11Å; T130-L160 WeakPolarHBondContact CG2-O 3.32Å; V131-L160 PolarHBondContact N-O 3.13Å; L160-L162 HydrophobicContact CD2-CD2 4.11Å; L160-L162 HydrophobicContact CG-CD2 4.14Å; L160-I253 HydrophobicContact CD1-CG1 4.11Å
161	C	98.7	Very high	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	106.3	174.2	-56.5	0	0	0	0	108.5	V131 I133 L163 L252	V131-C161 HydrophobicContact CG2-CB 3.96Å; V131-C161 WeakPolarHBondContact CG2-SG 3.43Å; V131-C161 WeakPolarHBondContact O-CA 3.5Å; I133-C161 HydrophobicContact CD1-CB 3.75Å; I133-C161 HydrophobicContact CG1-CB 4.11Å; C161-L163 HydrophobicContact CB-CD2 4.49Å; C161-L252 WeakPolarHBondContact CA-O 3.29Å; C161-L252 HydrophobicContact CB-CB 4.12Å; C161-L252 VanDerWaalsContact CB-O 3.24Å; C161-L252 WeakPolarHBondContact CB-O 3.47Å; C161-L252 PolarHBondContact N-O 3.12Å; C161-L252 PolarHBondContact O-N 3.12Å; C161-L252 VanDerWaalsContact O-N 3.11Å
162	L	97.9	Very high	89.7	Confident	31 Å²	31	44.9 Å²	44.9	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.9	168.1	-56.9	180	0	0	0	108.9	A88 I113 T130 V131 S132 I133 L160	A88-L162 HydrophobicContact CB-CD1 3.6Å; I113-L162 HydrophobicContact CG2-CD2 3.79Å; T130-L162 HydrophobicContact CG2-CD1 3.98Å; T130-L162 HydrophobicContact CG2-CG 3.84Å; V131-L162 PolarHBondContact O-N 3.16Å; S132-L162 CarbonylContact C-O 3.49Å; S132-L162 WeakPolarHBondContact CA-O 3.19Å; I133-L162 PolarHBondContact N-O 2.75Å; L160-L162 HydrophobicContact CD2-CD2 4.11Å; L160-L162 HydrophobicContact CG-CD2 4.14Å
163	L	97.3	Very high	88.8	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.1	-173.9	-54.5	-172.2	0	0	0	110.5	I133 C161 M188 V190 A193 H250 L252	I133-L163 HydrophobicContact CB-CD2 4.1Å; I133-L163 HydrophobicContact CD1-CD2 4.14Å; I133-L163 HydrophobicContact CG1-CD2 4.39Å; C161-L163 HydrophobicContact CB-CD2 4.49Å; L163-M188 HydrophobicContact CB-CB 3.95Å; L163-M188 HydrophobicContact CB-CG 4.06Å; L163-M188 HydrophobicContact CB-SD 4.27Å; L163-M188 HydrophobicContact CD1-CG 4.48Å; L163-M188 WeakPolarHBondContact CD1-O 3.32Å; L163-M188 HydrophobicContact CD2-SD 4.2Å; L163-V190 HydrophobicContact CD1-CG2 4.16Å; L163-A193 HydrophobicContact CD1-CB 4.19Å; L163-A193 HydrophobicContact CD2-CB 3.55Å; L163-H250 HydrophobicContact CD1-CB 3.81Å; L163-L252 HydrophobicContact CD2-CB 4.31Å
164	D	94.4	Very high	88.1	Confident	28 Å²	28	48.2 Å²	48.2	15%	0.15	25%	0.245	C	C	.	.			trans	-58.6	146.6	-171.7	-149.1	-7	0	0	0	114	I133 V134 F135 K166 M188	I133-D164 WeakPolarHBondContact O-CB 3.39Å; I133-D164 PolarHBondContact O-N 2.82Å; V134-D164 WeakPolarHBondContact CA-OD2 3.35Å; F135-D164 HydrophobicContact CD2-CB 3.62Å; F135-D164 HydrophobicContact CE2-CB 3.99Å; F135-D164 HydrophobicContact CG-CB 4.4Å; F135-D164 PolarHBondContact N-OD2 3Å; D164-K166 VanDerWaalsContact CG-CE 3.48Å; D164-K166 WeakPolarHBondContact OD2-CE 3.44Å; D164-K166 IonicContact OD2-NZ 2.78Å; D164-M188 HydrophobicContact CB-CB 4.17Å; D164-M188 HydrophobicContact CB-CE 4.19Å; D164-M188 PolarHBondContact O-N 3.42Å
165	I	90.6	Very high	87.5	Confident	25 Å²	25	47 Å²	47	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.6	177.7	-60.3	179.8	0	0	0	108.2	T35 V167 Y187 L249	T35-I165 WeakPolarHBondContact O-CD1 3.13Å; I165-V167 HydrophobicContact CG2-CG2 3.63Å; I165-Y187 HydrophobicContact CB-CD1 4.31Å; I165-Y187 HydrophobicContact CG1-CD1 4.05Å; I165-Y187 HydrophobicContact CG2-CD1 3.74Å; I165-Y187 HydrophobicContact CG2-CE1 3.53Å; I165-L249 HydrophobicContact CD1-CD1 3.88Å; I165-L249 HydrophobicContact CD1-CD2 3.51Å; I165-L249 HydrophobicContact CD1-CG 4.38Å; I165-L249 HydrophobicContact CG1-CD2 3.95Å
166	K	85.8	Confident	86.8	Confident	47 Å²	47	47.7 Å²	47.7	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	94.5	-175.5	-60.6	-79.1	167.7	179	0	108.1	F135 D164 E169 P185 R186	F135-K166 HydrophobicContact CD2-CD 4.33Å; F135-K166 HydrophobicContact CD2-CG 3.48Å; F135-K166 VanDerWaalsContact CD2-CG 3.48Å; F135-K166 HydrophobicContact CE2-CG 3.75Å; D164-K166 VanDerWaalsContact CG-CE 3.48Å; D164-K166 WeakPolarHBondContact OD2-CE 3.44Å; D164-K166 IonicContact OD2-NZ 2.78Å; K166-E169 HydrophobicContact CD-CG 4.34Å; K166-E169 WeakPolarHBondContact CD-OE1 3.16Å; K166-E169 WeakPolarHBondContact CD-OE2 3.49Å; K166-E169 WeakPolarHBondContact CE-OE1 3.46Å; K166-E169 IonicContact NZ-OE1 3.61Å; K166-E169 PolarHBondContact NZ-OE1 2.86Å; K166-P185 CarbonylContact O-C 3.48Å; K166-P185 WeakPolarHBondContact O-CA 3.49Å; K166-R186 HydrophobicContact CB-CB 4.15Å; K166-R186 PolarHBondContact N-O 2.84Å; K166-R186 PolarHBondContact O-N 3.48Å
167	V	80.9	Confident	86.2	Confident	33 Å²	33	52 Å²	52	20%	0.2	26%	0.257	C	S	.	.			trans	-120.7	136.1	-178.7	179.3	0	0	0	0	109.1	I165 E169 P185 Y187	I165-V167 HydrophobicContact CG2-CG2 3.63Å; V167-E169 VanDerWaalsContact C-N 3.25Å; V167-E169 PolarHBondContact O-N 2.68Å; V167-P185 HydrophobicContact CG2-CB 4.01Å; V167-Y187 HydrophobicContact CG2-CE1 4.03Å
168	K	72.6	Confident	85.4	Confident	100 Å²	100	52.2 Å²	52.2	44%	0.435	27%	0.274	S	S	.	.	S	Bend	trans	50.4	41.8	-176.5	-66.5	-168.9	-177.3	-172.9	0	113.5	D57 Y182	D57-K168 HydrophobicContact CB-CD 3.94Å; D57-K168 IonicContact OD2-NZ 3.61Å; D57-K168 PolarHBondContact OD2-NZ 2.94Å; K168-Y182 VanDerWaalsContact C-CD1 3.49Å; K168-Y182 HydrophobicContact CB-CD1 3.91Å; K168-Y182 HydrophobicContact CB-CE1 4.26Å; K168-Y182 HydrophobicContact CB-CG 4.32Å; K168-Y182 WeakPolarHBondContact O-CD1 3.19Å; K168-Y182 WeakPolarHBondContact O-CE1 3.48Å
169	E	73.2	Confident	84.5	Confident	57 Å²	57	58.1 Å²	58.1	27%	0.266	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-81.8	142.4	169.8	-75.8	-166.7	148.7	0	0	110.9	K166 V167 Y182 E183 R186	K166-E169 HydrophobicContact CD-CG 4.34Å; K166-E169 WeakPolarHBondContact CD-OE1 3.16Å; K166-E169 WeakPolarHBondContact CD-OE2 3.49Å; K166-E169 WeakPolarHBondContact CE-OE1 3.46Å; K166-E169 IonicContact NZ-OE1 3.61Å; K166-E169 PolarHBondContact NZ-OE1 2.86Å; V167-E169 VanDerWaalsContact C-N 3.25Å; V167-E169 PolarHBondContact O-N 2.68Å; E169-Y182 CarbonylContact O-C 3.59Å; E169-Y182 VanDerWaalsContact O-CA 3.29Å; E169-Y182 WeakPolarHBondContact O-CA 2.9Å; E169-E183 PolarHBondContact O-N 3.06Å; E169-R186 IonicContact OE2-NH2 3.32Å; E169-R186 PolarHBondContact OE2-NH2 3.34Å
170	Q	70.9	Confident	83.5	Confident	53 Å²	53	65.5 Å²	65.5	25%	0.248	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-92.9	141	167	-64	179.2	11.9	0	0	108.6	N174 L175 R179 Y182	Q170-N174 HydrophobicContact CB-CB 4.38Å; Q170-L175 HydrophobicContact CB-CB 4.41Å; Q170-R179 PolarHBondContact OE1-O 3.45Å; Q170-Y182 HydrophobicContact CG-CD1 3.73Å; Q170-Y182 HydrophobicContact CG-CE1 3.78Å
171	S	75.2	Confident	82.6	Confident	25 Å²	25	69.9 Å²	69.9	18%	0.175	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60	151.9	167.5	72.6	0	0	0	0	109.9	E173 N174 L175	S171-E173 PolarHBondContact O-N 3.06Å; S171-E173 VanDerWaalsContact O-N 3.13Å; S171-N174 PolarHBondContact O-N 2.92Å; S171-N174 WeakPolarHBondContact OG-CB 3.41Å; S171-N174 PolarHBondContact OG-N 3.37Å; S171-N174 PolarHBondContact OG-ND2 3.45Å; S171-N174 VanDerWaalsContact OG-ND2 3.12Å; S171-L175 WeakPolarHBondContact O-CB 3.38Å; S171-L175 PolarHBondContact O-N 2.96Å
172	L	75.1	Confident	81.7	Confident	129 Å²	129	74.1 Å²	74.1	68%	0.675	37%	0.368	S	S	*	.	H	α-helix	trans	-53.6	-37.3	177.8	-176.8	63.9	0	0	0	111.5	I176	L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.39Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 WeakPolarHBondContact O-CB 3.35Å; L172-I176 WeakPolarHBondContact O-CD1 3.44Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 2.93Å
173	E	79.1	Confident	80.9	Confident	111 Å²	111	76.3 Å²	76.3	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-48	175.5	-174.2	-173.7	170.8	0	0	112.5	S171 L175 I176 K177	S171-E173 PolarHBondContact O-N 3.06Å; S171-E173 VanDerWaalsContact O-N 3.13Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-I176 PolarHBondContact O-N 2.99Å; E173-K177 HydrophobicContact CG-CD 4.02Å; E173-K177 WeakPolarHBondContact O-CB 3.26Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 2.95Å; E173-K177 IonicContact OE1-NZ 3.42Å; E173-K177 PolarHBondContact OE1-NZ 3.1Å
174	N	80.7	Confident	80.3	Confident	22 Å²	22	80.5 Å²	80.5	12%	0.118	41%	0.406	C	S	.	.	H	α-helix	trans	-66.7	-37.8	179.7	-76.4	-35.2	0	0	0	111.4	Q170 S171 K177 G178 R179	Q170-N174 HydrophobicContact CB-CB 4.38Å; S171-N174 PolarHBondContact O-N 2.92Å; S171-N174 WeakPolarHBondContact OG-CB 3.41Å; S171-N174 PolarHBondContact OG-N 3.37Å; S171-N174 PolarHBondContact OG-ND2 3.45Å; S171-N174 VanDerWaalsContact OG-ND2 3.12Å; N174-K177 CarbonylContact O-C 3.52Å; N174-K177 PolarHBondContact O-N 3.38Å; N174-G178 PolarHBondContact O-N 3.07Å; N174-R179 HydrophobicContact CB-CB 4.24Å; N174-R179 PolarHBondContact O-N 3Å
175	L	80.2	Confident	80	Confident	109 Å²	109	82.6 Å²	82.6	57%	0.571	42%	0.42	S	S	*	.	H	α-helix	trans	-61.5	-51.4	175	-171	73.7	0	0	0	111.3	Q170 S171 E173 K177 G178	Q170-L175 HydrophobicContact CB-CB 4.41Å; S171-L175 WeakPolarHBondContact O-CB 3.38Å; S171-L175 PolarHBondContact O-N 2.96Å; E173-L175 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 2.9Å; L175-G178 PolarHBondContact O-N 3.22Å; L175-G178 VanDerWaalsContact O-N 3.08Å
176	I	80.4	Confident	80	Confident	131 Å²	131	86.7 Å²	86.7	67%	0.672	43%	0.434	S	S	*	.	H	α-helix	trans	-60.4	-35.5	178	-69.7	167.5	0	0	0	111.1	L172 E173 G178	L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.39Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 WeakPolarHBondContact O-CB 3.35Å; L172-I176 WeakPolarHBondContact O-CD1 3.44Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 2.93Å; E173-I176 PolarHBondContact O-N 2.99Å; I176-G178 VanDerWaalsContact C-N 3.32Å
177	K	83.4	Confident	80.4	Confident	112 Å²	112	87.3 Å²	87.3	49%	0.487	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1	179.5	-67.8	178.2	-177	177.9	0	113.9	E173 N174 L175 R179	E173-K177 HydrophobicContact CG-CD 4.02Å; E173-K177 WeakPolarHBondContact O-CB 3.26Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 2.95Å; E173-K177 IonicContact OE1-NZ 3.42Å; E173-K177 PolarHBondContact OE1-NZ 3.1Å; N174-K177 CarbonylContact O-C 3.52Å; N174-K177 PolarHBondContact O-N 3.38Å; L175-K177 PolarHBondContact O-N 2.9Å; K177-R179 HydrophobicContact CB-CG 4.05Å; K177-R179 PolarHBondContact O-N 2.66Å
178	G	80.1	Confident	81.2	Confident	62 Å²	62	85.9 Å²	85.9	64%	0.639	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	23.9	-177.5	0	0	0	0	0	114.2	N174 L175 I176	N174-G178 PolarHBondContact O-N 3.07Å; L175-G178 PolarHBondContact O-N 3.22Å; L175-G178 VanDerWaalsContact O-N 3.08Å; I176-G178 VanDerWaalsContact C-N 3.32Å
179	R	79.9	Confident	82.4	Confident	125 Å²	125	82.4 Å²	82.4	47%	0.472	42%	0.415	S	S	.	.			trans	-89.9	121.1	-179.7	-66	179.6	-178.6	-179.4	-2.7	109.5	Q170 N174 K177 I181	Q170-R179 PolarHBondContact OE1-O 3.45Å; N174-R179 HydrophobicContact CB-CB 4.24Å; N174-R179 PolarHBondContact O-N 3Å; K177-R179 HydrophobicContact CB-CG 4.05Å; K177-R179 PolarHBondContact O-N 2.66Å; R179-I181 HydrophobicContact CB-CD1 4.21Å; R179-I181 HydrophobicContact CB-CG1 4.24Å; R179-I181 PolarHBondContact O-N 3.16Å
180	K	77.7	Confident	83.6	Confident	155 Å²	155	79.7 Å²	79.7	67%	0.674	40%	0.402	S	S	*	.			trans	-76.3	57.4	173.5	-62.1	-166.7	176	-160.9	0	111.9	Y182	K180-Y182 HydrophobicContact CB-CE2 4.29Å
181	I	80.2	Confident	84.9	Confident	95 Å²	95	78.7 Å²	78.7	49%	0.487	40%	0.399	S	S	.	.			trans	-109.5	117.3	175.6	-60.6	172.7	0	0	0	107.3	R179	R179-I181 HydrophobicContact CB-CD1 4.21Å; R179-I181 HydrophobicContact CB-CG1 4.24Å; R179-I181 PolarHBondContact O-N 3.16Å
182	Y	81	Confident	86	Confident	88 Å²	88	81.1 Å²	81.1	35%	0.345	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-101.5	142.8	-175.2	-57.8	-77.9	0	0	0	111	K168 E169 Q170 K180	K168-Y182 VanDerWaalsContact C-CD1 3.49Å; K168-Y182 HydrophobicContact CB-CD1 3.91Å; K168-Y182 HydrophobicContact CB-CE1 4.26Å; K168-Y182 HydrophobicContact CB-CG 4.32Å; K168-Y182 WeakPolarHBondContact O-CD1 3.19Å; K168-Y182 WeakPolarHBondContact O-CE1 3.48Å; E169-Y182 CarbonylContact O-C 3.59Å; E169-Y182 VanDerWaalsContact O-CA 3.29Å; E169-Y182 WeakPolarHBondContact O-CA 2.9Å; Q170-Y182 HydrophobicContact CG-CD1 3.73Å; Q170-Y182 HydrophobicContact CG-CE1 3.78Å; K180-Y182 HydrophobicContact CB-CE2 4.29Å
183	E	80.9	Confident	87.1	Confident	78 Å²	78	75 Å²	75	36%	0.364	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-74.7	155.1	173.1	-62.6	-163.1	148.4	0	0	111.2	E169	E169-E183 PolarHBondContact O-N 3.06Å
184	P	84.4	Confident	88.1	Confident	106 Å²	106	69.7 Å²	69.7	69%	0.688	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-54.8	146.8	170	-23.4	33.8	0	0	0	111.2	R186	P184-R186 PolarHBondContact O-N 2.92Å
185	P	87.1	Confident	88.9	Confident	71 Å²	71	73.8 Å²	73.8	46%	0.461	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63	138.5	179.2	28	-34.7	0	0	0	110.8	K166 V167 Y187	K166-P185 CarbonylContact O-C 3.48Å; K166-P185 WeakPolarHBondContact O-CA 3.49Å; V167-P185 HydrophobicContact CG2-CB 4.01Å; P185-Y187 HydrophobicContact CB-CE2 3.82Å; P185-Y187 WeakPolarHBondContact CB-OH 3.5Å; P185-Y187 HydrophobicContact CG-CE2 4.24Å
186	R	91.1	Very high	89.8	Confident	111 Å²	111	69.5 Å²	69.5	42%	0.419	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.1	175.3	-55.6	176.6	-66.2	173.7	-1.1	109.5	F135 K166 E169 P184	F135-R186 HydrophobicContact CE2-CB 4.24Å; F135-R186 HydrophobicContact CZ-CB 4.28Å; K166-R186 HydrophobicContact CB-CB 4.15Å; K166-R186 PolarHBondContact N-O 2.84Å; K166-R186 PolarHBondContact O-N 3.48Å; E169-R186 IonicContact OE2-NH2 3.32Å; E169-R186 PolarHBondContact OE2-NH2 3.34Å; P184-R186 PolarHBondContact O-N 2.92Å
187	Y	94.2	Very high	90.6	Very high	60 Å²	60	63.3 Å²	63.3	24%	0.235	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	179.6	-54.9	-77.4	0	0	0	107.8	V37 I165 V167 P185 S189 P248 L249	V37-Y187 HydrophobicContact CG2-CD1 3.92Å; V37-Y187 HydrophobicContact CG2-CE1 3.04Å; V37-Y187 HydrophobicContact CG2-CE2 4.21Å; V37-Y187 WeakPolarHBondContact CG2-OH 3.43Å; I165-Y187 HydrophobicContact CB-CD1 4.31Å; I165-Y187 HydrophobicContact CG1-CD1 4.05Å; I165-Y187 HydrophobicContact CG2-CD1 3.74Å; I165-Y187 HydrophobicContact CG2-CE1 3.53Å; V167-Y187 HydrophobicContact CG2-CE1 4.03Å; P185-Y187 HydrophobicContact CB-CE2 3.82Å; P185-Y187 WeakPolarHBondContact CB-OH 3.5Å; P185-Y187 HydrophobicContact CG-CE2 4.24Å; Y187-S189 PolarHBondContact O-N 3.07Å; Y187-P248 HydrophobicContact CD2-CB 4.12Å; Y187-P248 HydrophobicContact CD2-CG 3.68Å; Y187-P248 HydrophobicContact CE2-CG 4.44Å; Y187-P248 HydrophobicContact CG-CB 3.83Å; Y187-P248 HydrophobicContact CG-CG 3.93Å; Y187-L249 HydrophobicContact CD1-CD2 3.44Å; Y187-L249 VanDerWaalsContact CD1-CD2 3.44Å; Y187-L249 HydrophobicContact CE1-CD2 4.07Å; Y187-L249 HydrophobicContact CG-CD2 4.11Å
188	M	97.2	Very high	91.3	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.02	30%	0.295	C	S	.	.			trans	-68.5	126.8	-179.1	174.5	177.9	-71	0	0	109.9	I133 V134 F135 L163 D164 Q192 A193	I133-M188 HydrophobicContact CB-SD 4.05Å; I133-M188 HydrophobicContact CG2-CE 4.22Å; I133-M188 HydrophobicContact CG2-SD 3.67Å; V134-M188 WeakPolarHBondContact O-CE 3.31Å; F135-M188 HydrophobicContact CB-CE 4.28Å; F135-M188 HydrophobicContact CD1-CE 3.69Å; F135-M188 HydrophobicContact CD2-CE 4.32Å; F135-M188 HydrophobicContact CE1-CB 3.98Å; F135-M188 HydrophobicContact CE1-CE 4.08Å; F135-M188 HydrophobicContact CE1-CG 4.4Å; F135-M188 HydrophobicContact CE2-CB 3.87Å; F135-M188 HydrophobicContact CG-CE 3.84Å; F135-M188 VanDerWaalsContact CZ-CA 3.43Å; F135-M188 HydrophobicContact CZ-CB 3.58Å; F135-M188 HydrophobicContact CZ-CG 4.47Å; F135-M188 VanDerWaalsContact N-CE 3.34Å; L163-M188 HydrophobicContact CB-CB 3.95Å; L163-M188 HydrophobicContact CB-CG 4.06Å; L163-M188 HydrophobicContact CB-SD 4.27Å; L163-M188 HydrophobicContact CD1-CG 4.48Å; L163-M188 WeakPolarHBondContact CD1-O 3.32Å; L163-M188 HydrophobicContact CD2-SD 4.2Å; D164-M188 HydrophobicContact CB-CB 4.17Å; D164-M188 HydrophobicContact CB-CE 4.19Å; D164-M188 PolarHBondContact O-N 3.42Å; M188-Q192 HydrophobicContact CG-CB 4.12Å; M188-A193 HydrophobicContact CG-CB 4.32Å; M188-A193 HydrophobicContact SD-CB 3.89Å
189	S	98.3	Very high	92.2	Very high	26 Å²	26	58.8 Å²	58.8	18%	0.182	28%	0.279	C	S	.	.			trans	-83.3	159.7	173.8	71.6	0	0	0	0	111.8	Y187 N191 Q192 A193	Y187-S189 PolarHBondContact O-N 3.07Å; S189-N191 PolarHBondContact O-N 3.08Å; S189-N191 PolarHBondContact OG-N 3.43Å; S189-Q192 PolarHBondContact O-N 3.41Å; S189-Q192 WeakPolarHBondContact OG-CG 3.43Å; S189-Q192 PolarHBondContact OG-N 3.2Å; S189-A193 PolarHBondContact O-N 3.2Å
190	V	98.6	Very high	93	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-52.5	-39	168.1	161.3	0	0	0	0	111.1	L163 Q192 A193 A194 M240 V243 L245 H250 S251 L252	L163-V190 HydrophobicContact CD1-CG2 4.16Å; V190-Q192 PolarHBondContact O-N 2.85Å; V190-A193 PolarHBondContact O-N 3.44Å; V190-A194 VanDerWaalsContact O-CB 3.23Å; V190-A194 WeakPolarHBondContact O-CB 3.43Å; V190-A194 PolarHBondContact O-N 3.16Å; V190-M240 HydrophobicContact CG1-CB 3.81Å; V190-M240 HydrophobicContact CG1-CG 4.23Å; V190-M240 HydrophobicContact CG1-SD 3.87Å; V190-V243 HydrophobicContact CG1-CG1 4.21Å; V190-L245 HydrophobicContact CB-CD1 3.88Å; V190-L245 HydrophobicContact CG1-CD1 4.23Å; V190-L245 HydrophobicContact CG2-CD1 3.71Å; V190-H250 HydrophobicContact CG2-CB 4.19Å; V190-H250 PolarHBondContact N-ND1 3.11Å; V190-S251 WeakPolarHBondContact CG2-O 3.34Å; V190-L252 HydrophobicContact CG1-CD1 4.13Å; V190-L252 HydrophobicContact CG2-CB 4.31Å
191	N	98.6	Very high	93.9	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-48.7	178.9	-51.3	72.7	0	0	0	111.9	S189 A194 Q195 M240 C241 T242 V243	S189-N191 PolarHBondContact O-N 3.08Å; S189-N191 PolarHBondContact OG-N 3.43Å; N191-A194 PolarHBondContact O-N 2.97Å; N191-Q195 VanDerWaalsContact O-CG 3.23Å; N191-Q195 WeakPolarHBondContact O-CG 3.2Å; N191-Q195 PolarHBondContact O-N 3.19Å; N191-M240 VanDerWaalsContact CA-O 3.3Å; N191-M240 WeakPolarHBondContact CA-O 3.49Å; N191-M240 PolarHBondContact ND2-O 3.47Å; N191-C241 WeakPolarHBondContact CB-O 3.16Å; N191-C241 VanDerWaalsContact ND2-C 3.25Å; N191-C241 PolarHBondContact ND2-O 2.7Å; N191-T242 VanDerWaalsContact ND2-C 3.31Å; N191-T242 VanDerWaalsContact ND2-CA 3.35Å; N191-T242 WeakPolarHBondContact ND2-CA 3.49Å; N191-T242 PolarHBondContact ND2-N 2.94Å; N191-V243 PolarHBondContact ND2-N 2.76Å; N191-V243 PolarHBondContact ND2-O 2.91Å; N191-V243 PolarHBondContact OD1-O 3.34Å
192	Q	98.3	Very high	94.7	Very high	76 Å²	76	46 Å²	46	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-43.8	178.6	-70.5	172	-47	0	0	111.3	M188 S189 V190 A194 Q195 Q196	M188-Q192 HydrophobicContact CG-CB 4.12Å; S189-Q192 PolarHBondContact O-N 3.41Å; S189-Q192 WeakPolarHBondContact OG-CG 3.43Å; S189-Q192 PolarHBondContact OG-N 3.2Å; V190-Q192 PolarHBondContact O-N 2.85Å; Q192-A194 PolarHBondContact O-N 2.72Å; Q192-Q195 PolarHBondContact O-N 2.91Å; Q192-Q196 PolarHBondContact O-N 3.09Å
193	A	98.4	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-43.7	176.8	0	0	0	0	0	112	I133 L163 M188 S189 V190 Q196 L197 L252	I133-A193 HydrophobicContact CD1-CB 4.06Å; I133-A193 HydrophobicContact CG2-CB 4.35Å; L163-A193 HydrophobicContact CD1-CB 4.19Å; L163-A193 HydrophobicContact CD2-CB 3.55Å; M188-A193 HydrophobicContact CG-CB 4.32Å; M188-A193 HydrophobicContact SD-CB 3.89Å; S189-A193 PolarHBondContact O-N 3.2Å; V190-A193 PolarHBondContact O-N 3.44Å; A193-Q196 PolarHBondContact O-N 3.34Å; A193-L197 WeakPolarHBondContact O-CG 3.09Å; A193-L197 PolarHBondContact O-N 2.88Å; A193-L252 HydrophobicContact CB-CD2 4.26Å
194	A	98.7	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-42.7	177	0	0	0	0	0	111.8	V190 N191 Q192 Q196 L197 L198 L237 M240	V190-A194 VanDerWaalsContact O-CB 3.23Å; V190-A194 WeakPolarHBondContact O-CB 3.43Å; V190-A194 PolarHBondContact O-N 3.16Å; N191-A194 PolarHBondContact O-N 2.97Å; Q192-A194 PolarHBondContact O-N 2.72Å; A194-Q196 PolarHBondContact O-N 2.87Å; A194-L197 WeakPolarHBondContact O-CB 3.12Å; A194-L197 PolarHBondContact O-N 2.85Å; A194-L198 WeakPolarHBondContact O-CG 3.36Å; A194-L198 PolarHBondContact O-N 3.34Å; A194-L237 HydrophobicContact CB-CD1 3.86Å; A194-M240 HydrophobicContact CB-CB 3.67Å
195	Q	98.5	Very high	96.6	Very high	108 Å²	108	40.7 Å²	40.7	51%	0.505	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-45	174.8	-73.2	167.6	0.4	0	0	112	N191 Q192 L197 L198 E199 C241	N191-Q195 VanDerWaalsContact O-CG 3.23Å; N191-Q195 WeakPolarHBondContact O-CG 3.2Å; N191-Q195 PolarHBondContact O-N 3.19Å; Q192-Q195 PolarHBondContact O-N 2.91Å; Q195-L197 VanDerWaalsContact C-N 3.33Å; Q195-L197 PolarHBondContact O-N 2.78Å; Q195-L198 PolarHBondContact O-N 2.67Å; Q195-E199 PolarHBondContact O-N 2.97Å; Q195-C241 HydrophobicContact CG-CB 4.24Å
196	Q	98.3	Very high	97	Very high	20 Å²	20	44 Å²	44	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-41.1	175.2	-71.6	-173.7	-177.5	0	0	111.6	V134 W136 Q192 A193 A194 E199 I200	V134-Q196 PolarHBondContact O-NE2 2.93Å; W136-Q196 HydrophobicContact CD2-CG 3.94Å; W136-Q196 HydrophobicContact CE3-CB 4.4Å; W136-Q196 HydrophobicContact CE3-CG 3.84Å; W136-Q196 HydrophobicContact CG-CG 4.39Å; W136-Q196 HydrophobicContact CH2-CB 4.29Å; W136-Q196 HydrophobicContact CZ2-CB 4.39Å; W136-Q196 HydrophobicContact CZ3-CB 4.26Å; W136-Q196 HydrophobicContact CZ3-CG 4.15Å; W136-Q196 VanDerWaalsContact N-OE1 3.09Å; Q192-Q196 PolarHBondContact O-N 3.09Å; A193-Q196 PolarHBondContact O-N 3.34Å; A194-Q196 PolarHBondContact O-N 2.87Å; Q196-E199 PolarHBondContact O-N 3.17Å; Q196-I200 WeakPolarHBondContact O-CG1 3.45Å; Q196-I200 PolarHBondContact O-N 3.09Å
197	L	98.4	Very high	97.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-41.6	175.8	-73	167.2	0	0	0	112.2	I133 F145 F146 A193 A194 Q195 E199 I200 I201 I213 L237 L252 I254	I133-L197 HydrophobicContact CD1-CD1 4.16Å; I133-L197 HydrophobicContact CD1-CG 4.35Å; F145-L197 HydrophobicContact CE2-CD2 3.85Å; F145-L197 HydrophobicContact CZ-CD2 4.35Å; F146-L197 HydrophobicContact CD2-CD2 3.92Å; F146-L197 HydrophobicContact CE2-CD2 4.11Å; A193-L197 WeakPolarHBondContact O-CG 3.09Å; A193-L197 PolarHBondContact O-N 2.88Å; A194-L197 WeakPolarHBondContact O-CB 3.12Å; A194-L197 PolarHBondContact O-N 2.85Å; Q195-L197 VanDerWaalsContact C-N 3.33Å; Q195-L197 PolarHBondContact O-N 2.78Å; L197-E199 VanDerWaalsContact C-N 3.35Å; L197-I200 PolarHBondContact O-N 2.84Å; L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.26Å; L197-I213 HydrophobicContact CD2-CD1 4.2Å; L197-L237 HydrophobicContact CB-CD1 4.22Å; L197-L237 HydrophobicContact CB-CD2 4.12Å; L197-L237 HydrophobicContact CD1-CD1 3.92Å; L197-L252 HydrophobicContact CD1-CD2 3.6Å; L197-I254 HydrophobicContact CD1-CD1 3.87Å; L197-I254 HydrophobicContact CD2-CD1 4.29Å
198	L	98.3	Very high	97.3	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-40	175.3	-69.8	-173.7	0	0	0	112.1	A194 Q195 I201 Q202 E215 L237 C241	A194-L198 WeakPolarHBondContact O-CG 3.36Å; A194-L198 PolarHBondContact O-N 3.34Å; Q195-L198 PolarHBondContact O-N 2.67Å; L198-I201 HydrophobicContact CD2-CD1 4.07Å; L198-I201 WeakPolarHBondContact O-CB 3.45Å; L198-I201 PolarHBondContact O-N 3.3Å; L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.47Å; L198-E215 HydrophobicContact CD2-CB 4.47Å; L198-E215 HydrophobicContact CD2-CG 3.9Å; L198-L237 HydrophobicContact CD2-CD2 3.66Å; L198-L237 HydrophobicContact CD2-CG 3.83Å; L198-L237 HydrophobicContact CG-CD2 4.39Å; L198-L237 HydrophobicContact CG-CG 4.31Å; L198-C241 WeakPolarHBondContact CD1-SG 3.4Å
199	E	97.6	Very high	97.1	Very high	63 Å²	63	49.7 Å²	49.7	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-39.7	175.2	-168.1	177.4	138.3	0	0	111.5	W136 R141 Q195 Q196 L197 I201 Q202 N203	W136-E199 HydrophobicContact CH2-CB 3.98Å; W136-E199 HydrophobicContact CH2-CG 4.2Å; W136-E199 HydrophobicContact CZ3-CB 3.86Å; W136-E199 HydrophobicContact CZ3-CG 3.95Å; W136-E199 WeakPolarHBondContact CZ3-OE1 3.35Å; W136-E199 WeakPolarHBondContact CZ3-OE2 3.41Å; R141-E199 IonicContact CZ-OE1 3.22Å; R141-E199 IonicContact NH1-OE1 3Å; R141-E199 PolarHBondContact NH1-OE1 2.86Å; R141-E199 IonicContact NH1-OE2 3.6Å; Q195-E199 PolarHBondContact O-N 2.97Å; Q196-E199 PolarHBondContact O-N 3.17Å; L197-E199 VanDerWaalsContact C-N 3.35Å; E199-I201 VanDerWaalsContact C-N 3.33Å; E199-I201 PolarHBondContact O-N 3.39Å; E199-Q202 PolarHBondContact O-N 2.93Å; E199-N203 WeakPolarHBondContact O-CB 3.44Å; E199-N203 VanDerWaalsContact O-CG 3.25Å; E199-N203 PolarHBondContact O-N 3.46Å
200	I	97.1	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-43.6	173.5	-65.3	169.2	0	0	0	111	W136 E143 F145 F146 Q196 L197 Q202 N203 Q204	W136-I200 HydrophobicContact CH2-CD1 4.49Å; W136-I200 HydrophobicContact CH2-CG1 3.84Å; W136-I200 HydrophobicContact CZ2-CD1 3.99Å; W136-I200 HydrophobicContact CZ2-CG1 3.74Å; E143-I200 HydrophobicContact CB-CD1 4.31Å; E143-I200 HydrophobicContact CB-CG1 4.42Å; E143-I200 HydrophobicContact CG-CD1 4.23Å; E143-I200 HydrophobicContact CG-CG1 3.92Å; F145-I200 HydrophobicContact CE1-CD1 4.19Å; F145-I200 HydrophobicContact CE2-CD1 4.36Å; F145-I200 HydrophobicContact CZ-CD1 3.62Å; F146-I200 HydrophobicContact CB-CG2 4.38Å; F146-I200 HydrophobicContact CD1-CG2 4.27Å; F146-I200 HydrophobicContact CD2-CB 4.39Å; F146-I200 HydrophobicContact CD2-CD1 4.28Å; F146-I200 HydrophobicContact CD2-CG2 3.7Å; F146-I200 HydrophobicContact CE1-CG2 4.47Å; F146-I200 HydrophobicContact CE2-CB 4.48Å; F146-I200 HydrophobicContact CE2-CG2 3.9Å; F146-I200 HydrophobicContact CG-CG2 3.87Å; F146-I200 HydrophobicContact CZ-CG2 4.27Å; Q196-I200 WeakPolarHBondContact O-CG1 3.45Å; Q196-I200 PolarHBondContact O-N 3.09Å; L197-I200 PolarHBondContact O-N 2.84Å; I200-Q202 VanDerWaalsContact C-N 3.32Å; I200-Q202 PolarHBondContact O-N 3.29Å; I200-N203 PolarHBondContact O-N 3.19Å; I200-Q204 WeakPolarHBondContact O-CG 3.47Å; I200-Q204 PolarHBondContact O-N 3.27Å
201	I	97.2	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-43.3	176.8	-67.2	164.1	0	0	0	110.6	F146 L197 L198 E199 Q204 R205 P211 I213 L237	F146-I201 HydrophobicContact CZ-CG1 4.49Å; L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.26Å; L198-I201 HydrophobicContact CD2-CD1 4.07Å; L198-I201 WeakPolarHBondContact O-CB 3.45Å; L198-I201 PolarHBondContact O-N 3.3Å; E199-I201 VanDerWaalsContact C-N 3.33Å; E199-I201 PolarHBondContact O-N 3.39Å; I201-Q204 PolarHBondContact O-N 3.4Å; I201-R205 WeakPolarHBondContact O-CG 3.09Å; I201-R205 PolarHBondContact O-N 3.09Å; I201-R205 VanDerWaalsContact O-N 3.1Å; I201-P211 HydrophobicContact CB-CB 4.5Å; I201-P211 HydrophobicContact CG1-CB 4.42Å; I201-P211 HydrophobicContact CG2-CB 3.96Å; I201-P211 HydrophobicContact CG2-CG 3.98Å; I201-I213 HydrophobicContact CD1-CD1 4.14Å; I201-I213 HydrophobicContact CD1-CG1 3.81Å; I201-I213 HydrophobicContact CG1-CG1 4.05Å; I201-L237 HydrophobicContact CD1-CD2 3.6Å
202	Q	96.6	Very high	96.2	Very high	106 Å²	106	57.6 Å²	57.6	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-44.5	176.6	-70.4	175.5	6.9	0	0	111.8	L198 E199 I200 Q204 R205 I206	L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.47Å; E199-Q202 PolarHBondContact O-N 2.93Å; I200-Q202 VanDerWaalsContact C-N 3.32Å; I200-Q202 PolarHBondContact O-N 3.29Å; Q202-Q204 VanDerWaalsContact C-N 3.33Å; Q202-Q204 PolarHBondContact O-N 3.12Å; Q202-R205 PolarHBondContact O-N 2.79Å; Q202-I206 WeakPolarHBondContact O-CG1 3.47Å; Q202-I206 PolarHBondContact O-N 2.9Å
203	N	94.9	Very high	96.2	Very high	42 Å²	42	54 Å²	54	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-42.8	176.6	-71.2	-17.5	0	0	0	111.9	E143 E199 I200 I206 R207	E143-N203 PolarHBondContact OE1-ND2 3.3Å; E199-N203 WeakPolarHBondContact O-CB 3.44Å; E199-N203 VanDerWaalsContact O-CG 3.25Å; E199-N203 PolarHBondContact O-N 3.46Å; I200-N203 PolarHBondContact O-N 3.19Å; N203-I206 PolarHBondContact O-N 3.36Å; N203-R207 VanDerWaalsContact O-CG 3.31Å; N203-R207 WeakPolarHBondContact O-CG 3.48Å; N203-R207 PolarHBondContact O-N 3.3Å; N203-R207 VanDerWaalsContact O-N 3.08Å
204	Q	95	Very high	96.1	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-45	175.7	-77.7	178.1	-3.8	0	0	111.9	F146 I200 I201 Q202 I206 R207 G208 E209	F146-Q204 VanDerWaalsContact CD1-NE2 3.25Å; I200-Q204 WeakPolarHBondContact O-CG 3.47Å; I200-Q204 PolarHBondContact O-N 3.27Å; I201-Q204 PolarHBondContact O-N 3.4Å; Q202-Q204 VanDerWaalsContact C-N 3.33Å; Q202-Q204 PolarHBondContact O-N 3.12Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.29Å; Q204-R207 CarbonylContact O-C 3.58Å; Q204-R207 WeakPolarHBondContact O-CA 2.81Å; Q204-R207 WeakPolarHBondContact O-CB 3.48Å; Q204-R207 PolarHBondContact O-N 3.09Å; Q204-R207 VanDerWaalsContact O-N 3.09Å; Q204-G208 PolarHBondContact O-N 2.78Å; Q204-G208 VanDerWaalsContact O-N 3.16Å; Q204-E209 HydrophobicContact CB-CB 4.11Å; Q204-E209 WeakPolarHBondContact O-CB 2.95Å; Q204-E209 PolarHBondContact O-N 3.05Å
205	R	95.7	Very high	96.1	Very high	108 Å²	108	58.5 Å²	58.5	41%	0.408	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-41.3	176.6	-71.6	175.4	-177.5	157.7	0.2	112.4	I201 Q202 R207 G208 P211 E215	I201-R205 WeakPolarHBondContact O-CG 3.09Å; I201-R205 PolarHBondContact O-N 3.09Å; I201-R205 VanDerWaalsContact O-N 3.1Å; Q202-R205 PolarHBondContact O-N 2.79Å; R205-R207 VanDerWaalsContact C-N 3.26Å; R205-R207 PolarHBondContact O-N 2.79Å; R205-G208 PolarHBondContact O-N 3.05Å; R205-P211 HydrophobicContact CG-CG 4.39Å; R205-E215 IonicContact CZ-OE1 3.65Å; R205-E215 IonicContact CZ-OE2 3.66Å; R205-E215 IonicContact NH1-OE1 2.87Å; R205-E215 PolarHBondContact NH1-OE1 3.05Å; R205-E215 IonicContact NH1-OE2 2.72Å; R205-E215 IonicContact NH2-OE1 3.89Å; R205-E215 PolarHBondContact NH2-OE1 2.74Å; R205-E215 IonicContact NH2-OE2 3.7Å; R205-E215 PolarHBondContact NH2-OE2 2.76Å
206	I	96.4	Very high	96	Very high	141 Å²	141	59.8 Å²	59.8	72%	0.723	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-35.7	175.7	-68	166	0	0	0	111.1	Q202 N203 Q204 G208	Q202-I206 WeakPolarHBondContact O-CG1 3.47Å; Q202-I206 PolarHBondContact O-N 2.9Å; N203-I206 PolarHBondContact O-N 3.36Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.29Å; I206-G208 PolarHBondContact O-N 2.96Å
207	R	95.3	Very high	96	Very high	138 Å²	138	59.1 Å²	59.1	52%	0.521	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.9	174.4	-64.8	170.9	-163.5	158.5	9.5	113.4	E143 N203 Q204 R205 E209	E143-R207 IonicContact OE1-NH2 3.29Å; E143-R207 IonicContact OE2-CZ 2.9Å; E143-R207 IonicContact OE2-NH1 3.29Å; E143-R207 PolarHBondContact OE2-NH1 3.29Å; E143-R207 IonicContact OE2-NH2 3.36Å; E143-R207 PolarHBondContact OE2-NH2 3.45Å; N203-R207 VanDerWaalsContact O-CG 3.31Å; N203-R207 WeakPolarHBondContact O-CG 3.48Å; N203-R207 PolarHBondContact O-N 3.3Å; N203-R207 VanDerWaalsContact O-N 3.08Å; Q204-R207 CarbonylContact O-C 3.58Å; Q204-R207 WeakPolarHBondContact O-CA 2.81Å; Q204-R207 WeakPolarHBondContact O-CB 3.48Å; Q204-R207 PolarHBondContact O-N 3.09Å; Q204-R207 VanDerWaalsContact O-N 3.09Å; R205-R207 VanDerWaalsContact C-N 3.26Å; R205-R207 PolarHBondContact O-N 2.79Å; R207-E209 HydrophobicContact CB-CG 4.21Å
208	G	94.9	Very high	96	Very high	70 Å²	70	61 Å²	61	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	18.8	-176.6	0	0	0	0	0	113.9	Q204 R205 I206	Q204-G208 PolarHBondContact O-N 2.78Å; Q204-G208 VanDerWaalsContact O-N 3.16Å; R205-G208 PolarHBondContact O-N 3.05Å; I206-G208 PolarHBondContact O-N 2.96Å
209	E	93.8	Very high	96	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-90.7	144.6	177.3	-61.7	174.2	-151.6	0	0	110.9	Q204 R207 P211	Q204-E209 HydrophobicContact CB-CB 4.11Å; Q204-E209 WeakPolarHBondContact O-CB 2.95Å; Q204-E209 PolarHBondContact O-N 3.05Å; R207-E209 HydrophobicContact CB-CG 4.21Å; E209-P211 WeakPolarHBondContact O-CD 3.42Å
210	E	91.6	Very high	96.1	Very high	176 Å²	176	57.2 Å²	57.2	82%	0.822	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-82.5	117.4	170.7	-170.9	175.4	-172.8	0	0	109.8
211	P	92.6	Very high	96.1	Very high	23 Å²	23	57.2 Å²	57.2	15%	0.149	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-75.1	138.9	-174.1	32.6	-36.4	0	0	0	110.9	I201 R205 E209 I213	I201-P211 HydrophobicContact CB-CB 4.5Å; I201-P211 HydrophobicContact CG1-CB 4.42Å; I201-P211 HydrophobicContact CG2-CB 3.96Å; I201-P211 HydrophobicContact CG2-CG 3.98Å; R205-P211 HydrophobicContact CG-CG 4.39Å; E209-P211 WeakPolarHBondContact O-CD 3.42Å; P211-I213 WeakPolarHBondContact CB-O 2.91Å; P211-I213 PolarHBondContact O-N 3.45Å
212	A	93.4	Very high	96.2	Very high	25 Å²	25	57.2 Å²	57.2	21%	0.207	29%	0.291	C	S	.	.	S	Bend	trans	-69.3	-23.4	-178.1	0	0	0	0	0	113.3	F146 K150 R153	F146-A212 HydrophobicContact CE1-CB 4.42Å; K150-A212 HydrophobicContact CB-CB 3.74Å; K150-A212 HydrophobicContact CD-CB 4.11Å; K150-A212 HydrophobicContact CG-CB 3.65Å; R153-A212 WeakPolarHBondContact CD-O 3.44Å; R153-A212 PolarHBondContact NE-O 3.22Å
213	I	96.6	Very high	96.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-129.2	160.4	174.6	60.6	168.5	0	0	0	109	F146 V149 R153 L197 I201 P211 T217 L237 I254	F146-I213 HydrophobicContact CE2-CD1 3.64Å; F146-I213 HydrophobicContact CE2-CG1 3.69Å; F146-I213 HydrophobicContact CZ-CD1 4.12Å; F146-I213 HydrophobicContact CZ-CG1 3.61Å; V149-I213 HydrophobicContact CG1-CG2 4.39Å; R153-I213 VanDerWaalsContact CD-CG2 3.48Å; L197-I213 HydrophobicContact CD2-CD1 4.2Å; I201-I213 HydrophobicContact CD1-CD1 4.14Å; I201-I213 HydrophobicContact CD1-CG1 3.81Å; I201-I213 HydrophobicContact CG1-CG1 4.05Å; P211-I213 WeakPolarHBondContact CB-O 2.91Å; P211-I213 PolarHBondContact O-N 3.45Å; I213-T217 HydrophobicContact CB-CG2 4.09Å; I213-T217 HydrophobicContact CG2-CG2 3.94Å; I213-L237 HydrophobicContact CD1-CD2 3.94Å; I213-I254 HydrophobicContact CD1-CD1 4.2Å; I213-I254 HydrophobicContact CG2-CG2 3.85Å
214	T	97.1	Very high	96.3	Very high	51 Å²	51	51.5 Å²	51.5	31%	0.313	26%	0.262	S	S	.	.			trans	-134.3	172.8	-178.2	61.4	0	0	0	0	109.7	E216 T217	T214-E216 PolarHBondContact O-N 2.94Å; T214-E216 PolarHBondContact OG1-N 3.33Å; T214-T217 PolarHBondContact N-OG1 3.06Å; T214-T217 VanDerWaalsContact O-CB 3.23Å; T214-T217 WeakPolarHBondContact O-CB 3.47Å; T214-T217 PolarHBondContact O-N 3.44Å; T214-T217 PolarHBondContact O-OG1 3.22Å; T214-T217 PolarHBondContact OG1-OG1 3.22Å
215	E	98.1	Very high	96.3	Very high	42 Å²	42	51.6 Å²	51.6	20%	0.196	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.1	170.8	-64.8	81.6	176.3	0	0	112	L198 R205 T217 T236 L237 Q238	L198-E215 HydrophobicContact CD2-CB 4.47Å; L198-E215 HydrophobicContact CD2-CG 3.9Å; R205-E215 IonicContact CZ-OE1 3.65Å; R205-E215 IonicContact CZ-OE2 3.66Å; R205-E215 IonicContact NH1-OE1 2.87Å; R205-E215 PolarHBondContact NH1-OE1 3.05Å; R205-E215 IonicContact NH1-OE2 2.72Å; R205-E215 IonicContact NH2-OE1 3.89Å; R205-E215 PolarHBondContact NH2-OE1 2.74Å; R205-E215 IonicContact NH2-OE2 3.7Å; R205-E215 PolarHBondContact NH2-OE2 2.76Å; E215-T217 VanDerWaalsContact C-N 3.31Å; E215-T217 PolarHBondContact O-N 3.36Å; E215-T236 WeakPolarHBondContact O-CB 3.39Å; E215-L237 WeakPolarHBondContact O-CB 3.3Å; E215-L237 PolarHBondContact O-N 2.97Å; E215-Q238 HydrophobicContact CB-CB 4.25Å; E215-Q238 PolarHBondContact O-N 2.97Å
216	E	97.5	Very high	96.2	Very high	136 Å²	136	48.2 Å²	48.2	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.8	-178.7	-55.8	-50.6	140.5	0	0	113.9	T214 L218	T214-E216 PolarHBondContact O-N 2.94Å; T214-E216 PolarHBondContact OG1-N 3.33Å; E216-L218 PolarHBondContact O-N 2.8Å
217	T	97.8	Very high	96.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.031	23%	0.234	C	C	.	.			trans	-65.7	122.1	-179	-67.3	0	0	0	0	110.4	I213 T214 E215 C219 T236 L237 I254	I213-T217 HydrophobicContact CB-CG2 4.09Å; I213-T217 HydrophobicContact CG2-CG2 3.94Å; T214-T217 PolarHBondContact N-OG1 3.06Å; T214-T217 VanDerWaalsContact O-CB 3.23Å; T214-T217 WeakPolarHBondContact O-CB 3.47Å; T214-T217 PolarHBondContact O-N 3.44Å; T214-T217 PolarHBondContact O-OG1 3.22Å; T214-T217 PolarHBondContact OG1-OG1 3.22Å; E215-T217 VanDerWaalsContact C-N 3.31Å; E215-T217 PolarHBondContact O-N 3.36Å; T217-C219 PolarHBondContact O-N 2.81Å; T217-C219 PolarHBondContact O-SG 3.26Å; T217-T236 CarbonylContact O-C 3.56Å; T217-L237 PolarHBondContact O-N 3.33Å; T217-I254 HydrophobicContact CG2-CG2 4.11Å
218	L	98.1	Very high	95.9	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.9	177.6	-175.5	66.3	0	0	0	110.7	E216 T255 I259 M264 L267	E216-L218 PolarHBondContact O-N 2.8Å; L218-T255 HydrophobicContact CB-CG2 4.46Å; L218-T255 HydrophobicContact CD2-CG2 4.35Å; L218-T255 HydrophobicContact CG-CG2 4.22Å; L218-T255 WeakPolarHBondContact O-CB 3.47Å; L218-T255 WeakPolarHBondContact O-CG2 3.38Å; L218-T255 PolarHBondContact O-N 2.98Å; L218-T255 PolarHBondContact O-OG1 2.99Å; L218-I259 HydrophobicContact CD2-CD1 3.58Å; L218-M264 HydrophobicContact CD2-CE 4.13Å; L218-M264 HydrophobicContact CD2-SD 3.81Å; L218-L267 HydrophobicContact CD2-CD1 3.7Å; L218-L267 HydrophobicContact CG-CD1 4.47Å
219	C	98.6	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.7	178.9	-64	0	0	0	0	110.2	T217 A234 G235 M240 L252 I253	T217-C219 PolarHBondContact O-N 2.81Å; T217-C219 PolarHBondContact O-SG 3.26Å; C219-A234 WeakPolarHBondContact O-CA 3.44Å; C219-G235 PolarHBondContact N-O 3.42Å; C219-G235 PolarHBondContact O-N 2.92Å; C219-G235 VanDerWaalsContact O-O 3.13Å; C219-M240 HydrophobicContact CB-CE 4.33Å; C219-M240 HydrophobicContact CB-CG 3.74Å; C219-M240 HydrophobicContact CB-SD 4.44Å; C219-M240 WeakPolarHBondContact O-CE 3.28Å; C219-L252 HydrophobicContact CB-CD1 3.95Å; C219-I253 CarbonylContact C-O 3.56Å; C219-I253 WeakPolarHBondContact CA-O 3.12Å; C219-I253 WeakPolarHBondContact CB-O 2.94Å
220	V	98.8	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.2	172.5	-168.2	0	0	0	0	108.9	C120 L122 L222 I232 A233 L252 I253 L267	C120-V220 HydrophobicContact CB-CG1 3.86Å; L122-V220 HydrophobicContact CD1-CG2 4.14Å; V220-L222 HydrophobicContact CB-CD1 4.38Å; V220-L222 HydrophobicContact CG1-CD1 4.01Å; V220-L222 HydrophobicContact CG1-CG 4.32Å; V220-I232 HydrophobicContact CG1-CG2 3.73Å; V220-A233 CarbonylContact C-O 3.54Å; V220-A233 VanDerWaalsContact CA-O 3.3Å; V220-A233 WeakPolarHBondContact CA-O 3.38Å; V220-L252 CarbonylContact O-C 3.6Å; V220-I253 HydrophobicContact CB-CB 4.1Å; V220-I253 HydrophobicContact CB-CD1 4.41Å; V220-I253 PolarHBondContact N-O 3.01Å; V220-I253 PolarHBondContact O-N 3.18Å; V220-L267 HydrophobicContact CG2-CD1 4.39Å; V220-L267 HydrophobicContact CG2-CD2 3.51Å
221	G	98.8	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.7	167.9	0	0	0	0	0	110.1	I232 A233	G221-I232 WeakPolarHBondContact O-CA 3.5Å; G221-A233 PolarHBondContact N-O 2.76Å; G221-A233 PolarHBondContact O-N 3.28Å
222	L	98.6	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.5	174.5	-56.7	93	0	0	0	109.1	V117 C120 V220 V225 K231 I232 H250 S251 I253	V117-L222 HydrophobicContact CG1-CD2 4.37Å; C120-L222 HydrophobicContact CB-CD2 4.28Å; V220-L222 HydrophobicContact CB-CD1 4.38Å; V220-L222 HydrophobicContact CG1-CD1 4.01Å; V220-L222 HydrophobicContact CG1-CG 4.32Å; L222-V225 HydrophobicContact CB-CG2 3.72Å; L222-V225 HydrophobicContact CD2-CG2 3.87Å; L222-V225 HydrophobicContact CG-CG2 4.45Å; L222-K231 WeakPolarHBondContact CA-O 3.46Å; L222-I232 HydrophobicContact CD2-CG1 4.38Å; L222-H250 CarbonylContact O-C 3.52Å; L222-H250 VanDerWaalsContact O-CA 3.26Å; L222-H250 WeakPolarHBondContact O-CA 3.47Å; L222-S251 PolarHBondContact N-O 3.13Å; L222-S251 PolarHBondContact O-N 3.05Å; L222-I253 HydrophobicContact CD1-CD1 3.43Å; L222-I253 VanDerWaalsContact CD1-CD1 3.43Å; L222-I253 HydrophobicContact CD1-CG1 3.7Å
223	A	97.7	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.1	174.5	0	0	0	0	0	111	V225 Q230 K231 L245 L249 H250	A223-V225 VanDerWaalsContact C-N 3.26Å; A223-V225 PolarHBondContact O-N 3.44Å; A223-Q230 WeakPolarHBondContact O-CA 2.9Å; A223-K231 HydrophobicContact CB-CB 4.44Å; A223-K231 PolarHBondContact N-O 2.72Å; A223-K231 PolarHBondContact O-N 3.41Å; A223-L245 HydrophobicContact CB-CB 3.77Å; A223-L245 WeakPolarHBondContact CB-O 3.15Å; A223-L249 WeakPolarHBondContact CA-O 3.37Å; A223-H250 WeakPolarHBondContact CB-CD2 3.42Å; A223-H250 WeakPolarHBondContact CB-NE2 3.48Å
224	R	95.4	Very high	97	Very high	28 Å²	28	39.1 Å²	39.1	11%	0.106	21%	0.21	C	C	.	.	S	Bend	trans	51.1	45.5	174	-54.4	-170.1	-60	-73.5	3.4	112.3	G226 A227 D229 Q230 L245 E247 P248 L249	R224-G226 PolarHBondContact O-N 2.77Å; R224-A227 HydrophobicContact CB-CB 3.89Å; R224-A227 VanDerWaalsContact O-CB 3.31Å; R224-A227 WeakPolarHBondContact O-CB 3.11Å; R224-A227 PolarHBondContact O-N 2.84Å; R224-D229 IonicContact CZ-OD1 3.6Å; R224-D229 IonicContact CZ-OD2 2.68Å; R224-D229 IonicContact NE-OD1 3.74Å; R224-D229 PolarHBondContact NE-OD1 2.7Å; R224-D229 IonicContact NE-OD2 2.96Å; R224-D229 PolarHBondContact NE-OD2 2.96Å; R224-D229 PolarHBondContact NH2-O 3.28Å; R224-D229 IonicContact NH2-OD1 2.82Å; R224-D229 IonicContact NH2-OD2 3.52Å; R224-D229 PolarHBondContact NH2-OD2 3.19Å; R224-Q230 WeakPolarHBondContact O-CB 3.47Å; R224-L245 PolarHBondContact NH1-O 2.95Å; R224-L245 VanDerWaalsContact NH1-O 3.08Å; R224-E247 WeakPolarHBondContact CD-O 3.48Å; R224-E247 VanDerWaalsContact CG-O 3.29Å; R224-E247 WeakPolarHBondContact CG-O 3.41Å; R224-E247 PolarHBondContact NH1-O 3.19Å; R224-P248 WeakPolarHBondContact CD-O 3.48Å; R224-P248 VanDerWaalsContact CG-O 3.31Å; R224-P248 WeakPolarHBondContact CG-O 3.42Å; R224-L249 PolarHBondContact N-O 3.46Å
225	V	96.3	Very high	97	Very high	13 Å²	13	37 Å²	37	8%	0.079	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	123.7	-179.8	177.7	0	0	0	0	109.6	L9 I113 A116 L222 A223 Q230	L9-V225 WeakPolarHBondContact CB-O 3.37Å; L9-V225 HydrophobicContact CD1-CG1 4.38Å; I113-V225 HydrophobicContact CD1-CB 3.92Å; I113-V225 HydrophobicContact CD1-CG1 4.31Å; I113-V225 HydrophobicContact CD1-CG2 3.88Å; A116-V225 HydrophobicContact CB-CG1 3.55Å; L222-V225 HydrophobicContact CB-CG2 3.72Å; L222-V225 HydrophobicContact CD2-CG2 3.87Å; L222-V225 HydrophobicContact CG-CG2 4.45Å; A223-V225 VanDerWaalsContact C-N 3.26Å; A223-V225 PolarHBondContact O-N 3.44Å; V225-Q230 VanDerWaalsContact CA-OE1 3.23Å
226	G	93.2	Very high	97	Very high	37 Å²	37	36.3 Å²	36.3	38%	0.381	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-11.1	-174.7	0	0	0	0	0	115.4	G10 R224	G10-G226 WeakPolarHBondContact CA-O 3.39Å; R224-G226 PolarHBondContact O-N 2.77Å
227	A	93.4	Very high	97.1	Very high	17 Å²	17	29.8 Å²	29.8	14%	0.14	17%	0.166	C	C	.	.	S	Bend	trans	-86.6	158.8	173.2	0	0	0	0	0	112	T39 R224 D229 Q230	T39-A227 HydrophobicContact CG2-CB 4.15Å; R224-A227 HydrophobicContact CB-CB 3.89Å; R224-A227 VanDerWaalsContact O-CB 3.31Å; R224-A227 WeakPolarHBondContact O-CB 3.11Å; R224-A227 PolarHBondContact O-N 2.84Å; A227-D229 PolarHBondContact O-N 2.8Å; A227-Q230 VanDerWaalsContact O-CB 3.3Å; A227-Q230 WeakPolarHBondContact O-CB 3.23Å; A227-Q230 PolarHBondContact O-N 2.83Å; A227-Q230 VanDerWaalsContact O-N 3.11Å
228	D	92.3	Very high	97.1	Very high	181 Å²	181	33.8 Å²	33.8	97%	0.968	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.2	177.3	-75	-21.5	0	0	0	113
229	D	94.2	Very high	97.1	Very high	84 Å²	84	34.1 Å²	34.1	45%	0.449	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	26	-179.9	73.1	-20.3	0	0	0	112.8	R224 A227 K231	R224-D229 IonicContact CZ-OD1 3.6Å; R224-D229 IonicContact CZ-OD2 2.68Å; R224-D229 IonicContact NE-OD1 3.74Å; R224-D229 PolarHBondContact NE-OD1 2.7Å; R224-D229 IonicContact NE-OD2 2.96Å; R224-D229 PolarHBondContact NE-OD2 2.96Å; R224-D229 PolarHBondContact NH2-O 3.28Å; R224-D229 IonicContact NH2-OD1 2.82Å; R224-D229 IonicContact NH2-OD2 3.52Å; R224-D229 PolarHBondContact NH2-OD2 3.19Å; A227-D229 PolarHBondContact O-N 2.8Å; D229-K231 PolarHBondContact O-N 2.8Å
230	Q	96.4	Very high	97.1	Very high	67 Å²	67	34.1 Å²	34.1	31%	0.313	19%	0.185	S	C	.	.			trans	-48.6	136.6	171.3	177.2	-178.5	-66.6	0	0	111.2	A223 R224 V225 A227	A223-Q230 WeakPolarHBondContact O-CA 2.9Å; R224-Q230 WeakPolarHBondContact O-CB 3.47Å; V225-Q230 VanDerWaalsContact CA-OE1 3.23Å; A227-Q230 VanDerWaalsContact O-CB 3.3Å; A227-Q230 WeakPolarHBondContact O-CB 3.23Å; A227-Q230 PolarHBondContact O-N 2.83Å; A227-Q230 VanDerWaalsContact O-N 3.11Å
231	K	98	Very high	97.1	Very high	81 Å²	81	34.7 Å²	34.7	35%	0.352	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.8	172.6	-62.2	-167.3	-170.2	171.6	0	111.5	L222 A223 D229 L245	L222-K231 WeakPolarHBondContact CA-O 3.46Å; A223-K231 HydrophobicContact CB-CB 4.44Å; A223-K231 PolarHBondContact N-O 2.72Å; A223-K231 PolarHBondContact O-N 3.41Å; D229-K231 PolarHBondContact O-N 2.8Å; K231-L245 HydrophobicContact CB-CD2 3.95Å; K231-L245 WeakPolarHBondContact CD-O 3.11Å
232	I	98.6	Very high	97	Very high	27 Å²	27	40 Å²	40	14%	0.138	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.5	173.6	-56.6	172.3	0	0	0	107.1	C119 C120 V220 G221 L222 F270	C119-I232 HydrophobicContact CB-CD1 4.42Å; C120-I232 HydrophobicContact CB-CD1 4.46Å; C120-I232 HydrophobicContact CB-CG2 3.98Å; V220-I232 HydrophobicContact CG1-CG2 3.73Å; G221-I232 WeakPolarHBondContact O-CA 3.5Å; L222-I232 HydrophobicContact CD2-CG1 4.38Å; I232-F270 HydrophobicContact CB-CB 4.42Å; I232-F270 HydrophobicContact CB-CD1 3.81Å; I232-F270 HydrophobicContact CB-CE1 4.16Å; I232-F270 HydrophobicContact CB-CG 3.99Å; I232-F270 HydrophobicContact CD1-CE1 4.09Å; I232-F270 HydrophobicContact CD1-CE2 4.43Å; I232-F270 HydrophobicContact CD1-CZ 4.01Å; I232-F270 HydrophobicContact CG2-CB 3.95Å; I232-F270 HydrophobicContact CG2-CD1 4.02Å; I232-F270 HydrophobicContact CG2-CD2 3.86Å; I232-F270 HydrophobicContact CG2-CE2 4.37Å; I232-F270 HydrophobicContact CG2-CG 3.66Å
233	A	98.6	Very high	97	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.6	173.9	0	0	0	0	0	110.3	V220 G221 V243 L245 F270 I272	V220-A233 CarbonylContact C-O 3.54Å; V220-A233 VanDerWaalsContact CA-O 3.3Å; V220-A233 WeakPolarHBondContact CA-O 3.38Å; G221-A233 PolarHBondContact N-O 2.76Å; G221-A233 PolarHBondContact O-N 3.28Å; A233-V243 HydrophobicContact CB-CG2 3.72Å; A233-L245 HydrophobicContact CB-CD2 3.83Å; A233-F270 CarbonylContact C-O 3.53Å; A233-F270 WeakPolarHBondContact CA-O 3.43Å; A233-I272 HydrophobicContact CB-CD1 4.19Å; A233-I272 HydrophobicContact CB-CG1 3.85Å
234	A	98.6	Very high	96.9	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131	177.9	0	0	0	0	0	110	C219 L267 F270 S271 I272	C219-A234 WeakPolarHBondContact O-CA 3.44Å; A234-L267 HydrophobicContact CB-CB 4.09Å; A234-L267 HydrophobicContact CB-CD2 4.15Å; A234-F270 HydrophobicContact CB-CB 4.26Å; A234-F270 PolarHBondContact N-O 2.78Å; A234-S271 CarbonylContact O-C 3.57Å; A234-S271 VanDerWaalsContact O-CA 3.31Å; A234-S271 WeakPolarHBondContact O-CA 3.47Å; A234-I272 PolarHBondContact O-N 2.83Å
235	G	98.2	Very high	97	Very high	5 Å²	5	45.5 Å²	45.5	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-178.3	-175.5	0	0	0	0	0	111.7	C219 Q239	C219-G235 PolarHBondContact N-O 3.42Å; C219-G235 PolarHBondContact O-N 2.92Å; C219-G235 VanDerWaalsContact O-O 3.13Å; G235-Q239 VanDerWaalsContact CA-OE1 3.24Å
236	T	98.5	Very high	97	Very high	28 Å²	28	46.2 Å²	46.2	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	157	-179.9	71.1	0	0	0	0	111.1	E215 T217 Q238 Q239 M240	E215-T236 WeakPolarHBondContact O-CB 3.39Å; T217-T236 CarbonylContact O-C 3.56Å; T236-Q238 PolarHBondContact O-N 3.04Å; T236-Q239 WeakPolarHBondContact O-CB 3.46Å; T236-Q239 PolarHBondContact O-N 2.91Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.42Å; T236-Q239 PolarHBondContact OG1-N 2.79Å; T236-M240 WeakPolarHBondContact O-CG 3.4Å; T236-M240 PolarHBondContact O-N 3.26Å
237	L	98.6	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.9	-35.4	174.3	-179.7	60.7	0	0	0	111.2	A194 L197 L198 I201 I213 E215 T217 M240	A194-L237 HydrophobicContact CB-CD1 3.86Å; L197-L237 HydrophobicContact CB-CD1 4.22Å; L197-L237 HydrophobicContact CB-CD2 4.12Å; L197-L237 HydrophobicContact CD1-CD1 3.92Å; L198-L237 HydrophobicContact CD2-CD2 3.66Å; L198-L237 HydrophobicContact CD2-CG 3.83Å; L198-L237 HydrophobicContact CG-CD2 4.39Å; L198-L237 HydrophobicContact CG-CG 4.31Å; I201-L237 HydrophobicContact CD1-CD2 3.6Å; I213-L237 HydrophobicContact CD1-CD2 3.94Å; E215-L237 WeakPolarHBondContact O-CB 3.3Å; E215-L237 PolarHBondContact O-N 2.97Å; T217-L237 PolarHBondContact O-N 3.33Å; L237-M240 WeakPolarHBondContact O-CB 3.47Å; L237-M240 PolarHBondContact O-N 3.38Å
238	Q	98.4	Very high	97	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174.1	-175	58.9	53.2	0	0	112.8	E215 T236 M240 C241	E215-Q238 HydrophobicContact CB-CB 4.25Å; E215-Q238 PolarHBondContact O-N 2.97Å; T236-Q238 PolarHBondContact O-N 3.04Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.46Å; Q238-C241 WeakPolarHBondContact O-CB 3.05Å; Q238-C241 PolarHBondContact O-N 2.89Å
239	Q	98.4	Very high	97.1	Very high	48 Å²	48	45.8 Å²	45.8	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-32.3	176.2	-70.8	172.4	-45.7	0	0	111.9	G235 T236 C241 T242 V243 I272	G235-Q239 VanDerWaalsContact CA-OE1 3.24Å; T236-Q239 WeakPolarHBondContact O-CB 3.46Å; T236-Q239 PolarHBondContact O-N 2.91Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.42Å; T236-Q239 PolarHBondContact OG1-N 2.79Å; Q239-C241 PolarHBondContact O-N 2.88Å; Q239-C241 VanDerWaalsContact O-N 3.17Å; Q239-T242 PolarHBondContact O-N 3.45Å; Q239-T242 VanDerWaalsContact O-N 3.12Å; Q239-T242 PolarHBondContact O-OG1 2.76Å; Q239-V243 PolarHBondContact O-N 3.34Å; Q239-V243 VanDerWaalsContact O-N 3.12Å; Q239-I272 HydrophobicContact CB-CD1 3.78Å; Q239-I272 HydrophobicContact CB-CG2 4.35Å
240	M	98.6	Very high	97.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-23.7	176	-65.1	-59.2	137.8	0	0	113.1	V190 N191 A194 C219 T236 L237 Q238 T242 V243 L252 I272	V190-M240 HydrophobicContact CG1-CB 3.81Å; V190-M240 HydrophobicContact CG1-CG 4.23Å; V190-M240 HydrophobicContact CG1-SD 3.87Å; N191-M240 VanDerWaalsContact CA-O 3.3Å; N191-M240 WeakPolarHBondContact CA-O 3.49Å; N191-M240 PolarHBondContact ND2-O 3.47Å; A194-M240 HydrophobicContact CB-CB 3.67Å; C219-M240 HydrophobicContact CB-CE 4.33Å; C219-M240 HydrophobicContact CB-CG 3.74Å; C219-M240 HydrophobicContact CB-SD 4.44Å; C219-M240 WeakPolarHBondContact O-CE 3.28Å; T236-M240 WeakPolarHBondContact O-CG 3.4Å; T236-M240 PolarHBondContact O-N 3.26Å; L237-M240 WeakPolarHBondContact O-CB 3.47Å; L237-M240 PolarHBondContact O-N 3.38Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.46Å; M240-T242 PolarHBondContact O-N 3.44Å; M240-V243 HydrophobicContact SD-CG1 4.19Å; M240-L252 HydrophobicContact CG-CD1 4.23Å; M240-L252 HydrophobicContact SD-CD1 4.49Å; M240-I272 HydrophobicContact CE-CD1 3.39Å; M240-I272 HydrophobicContact CE-CG1 4.44Å; M240-I272 HydrophobicContact SD-CD1 4.24Å
241	C	98.3	Very high	97.3	Very high	12 Å²	12	39.8 Å²	39.8	8%	0.081	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.4	176.9	-66.1	0	0	0	0	113.7	N191 Q195 L198 Q238 Q239	N191-C241 WeakPolarHBondContact CB-O 3.16Å; N191-C241 VanDerWaalsContact ND2-C 3.25Å; N191-C241 PolarHBondContact ND2-O 2.7Å; Q195-C241 HydrophobicContact CG-CB 4.24Å; L198-C241 WeakPolarHBondContact CD1-SG 3.4Å; Q238-C241 WeakPolarHBondContact O-CB 3.05Å; Q238-C241 PolarHBondContact O-N 2.89Å; Q239-C241 PolarHBondContact O-N 2.88Å; Q239-C241 VanDerWaalsContact O-N 3.17Å
242	T	97.2	Very high	97.4	Very high	111 Å²	111	36 Å²	36	68%	0.681	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-5.4	-173.3	56.6	0	0	0	0	114.4	N191 Q239 M240	N191-T242 VanDerWaalsContact ND2-C 3.31Å; N191-T242 VanDerWaalsContact ND2-CA 3.35Å; N191-T242 WeakPolarHBondContact ND2-CA 3.49Å; N191-T242 PolarHBondContact ND2-N 2.94Å; Q239-T242 PolarHBondContact O-N 3.45Å; Q239-T242 VanDerWaalsContact O-N 3.12Å; Q239-T242 PolarHBondContact O-OG1 2.76Å; M240-T242 PolarHBondContact O-N 3.44Å
243	V	97.4	Very high	97.4	Very high	19 Å²	19	34.7 Å²	34.7	12%	0.115	20%	0.195	C	C	.	.			trans	-59.2	137.7	177.5	69.2	0	0	0	0	111.9	V190 N191 A233 Q239 M240 L245 I272	V190-V243 HydrophobicContact CG1-CG1 4.21Å; N191-V243 PolarHBondContact ND2-N 2.76Å; N191-V243 PolarHBondContact ND2-O 2.91Å; N191-V243 PolarHBondContact OD1-O 3.34Å; A233-V243 HydrophobicContact CB-CG2 3.72Å; Q239-V243 PolarHBondContact O-N 3.34Å; Q239-V243 VanDerWaalsContact O-N 3.12Å; M240-V243 HydrophobicContact SD-CG1 4.19Å; V243-L245 HydrophobicContact CG1-CD1 4.14Å; V243-L245 HydrophobicContact CG1-CG 4.14Å; V243-L245 HydrophobicContact CG2-CG 4.35Å; V243-I272 HydrophobicContact CB-CD1 3.85Å; V243-I272 HydrophobicContact CG2-CD1 3.76Å; V243-I272 HydrophobicContact CG2-CG1 4.04Å
244	D	96.8	Very high	97.4	Very high	122 Å²	122	34.3 Å²	34.3	65%	0.652	19%	0.192	S	C	*	.			trans	-95.5	103.7	173.2	176.5	21.6	0	0	0	110.9	G246	D244-G246 PolarHBondContact OD1-N 3.44Å
245	L	97.1	Very high	97.3	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.191	C	C	.	.			trans	-98.9	-0.1	174.7	-69.8	170.6	0	0	0	113.2	V190 A223 R224 K231 A233 V243	V190-L245 HydrophobicContact CB-CD1 3.88Å; V190-L245 HydrophobicContact CG1-CD1 4.23Å; V190-L245 HydrophobicContact CG2-CD1 3.71Å; A223-L245 HydrophobicContact CB-CB 3.77Å; A223-L245 WeakPolarHBondContact CB-O 3.15Å; R224-L245 PolarHBondContact NH1-O 2.95Å; R224-L245 VanDerWaalsContact NH1-O 3.08Å; K231-L245 HydrophobicContact CB-CD2 3.95Å; K231-L245 WeakPolarHBondContact CD-O 3.11Å; A233-L245 HydrophobicContact CB-CD2 3.83Å; V243-L245 HydrophobicContact CG1-CD1 4.14Å; V243-L245 HydrophobicContact CG1-CG 4.14Å; V243-L245 HydrophobicContact CG2-CG 4.35Å
246	G	95.8	Very high	97.2	Very high	28 Å²	28	34 Å²	34	29%	0.289	19%	0.189	S	C	.	.			trans	73.8	-146.1	-176.7	0	0	0	0	0	113.9	D244 H250	D244-G246 PolarHBondContact OD1-N 3.44Å; G246-H250 PolarHBondContact O-CE1 3.18Å; G246-H250 VanDerWaalsContact O-CE1 3.29Å; G246-H250 PolarHBondContact O-NE2 2.89Å; G246-H250 VanDerWaalsContact O-NE2 3.13Å
247	E	94.1	Very high	96.6	Very high	137 Å²	137	35.4 Å²	35.4	64%	0.64	21%	0.209	S	C	*	.	S	Bend	trans	-71.5	153.5	-174.9	-63.7	-55.9	130.7	0	0	113.9	R224 H250	R224-E247 WeakPolarHBondContact CD-O 3.48Å; R224-E247 VanDerWaalsContact CG-O 3.29Å; R224-E247 WeakPolarHBondContact CG-O 3.41Å; R224-E247 PolarHBondContact NH1-O 3.19Å; E247-H250 PolarHBondContact O-NE2 3.21Å
248	P	93.3	Very high	96.1	Very high	46 Å²	46	39.3 Å²	39.3	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-60.7	163.3	175.5	26.7	-36.4	0	0	0	113.3	Y187 R224	Y187-P248 HydrophobicContact CD2-CB 4.12Å; Y187-P248 HydrophobicContact CD2-CG 3.68Å; Y187-P248 HydrophobicContact CE2-CG 4.44Å; Y187-P248 HydrophobicContact CG-CB 3.83Å; Y187-P248 HydrophobicContact CG-CG 3.93Å; R224-P248 WeakPolarHBondContact CD-O 3.48Å; R224-P248 VanDerWaalsContact CG-O 3.31Å; R224-P248 WeakPolarHBondContact CG-O 3.42Å
249	L	93.3	Very high	95.8	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.225	23%	0.226	C	C	.	.	P	Polyproline II helix	cis	-90.3	145.3	5.4	-70.8	175.6	0	0	0	113.5	S36 V37 I165 Y187 A223 R224	S36-L249 WeakPolarHBondContact OG-CD1 3.19Å; V37-L249 HydrophobicContact CB-CD1 4.36Å; V37-L249 HydrophobicContact CB-CG 4.31Å; V37-L249 HydrophobicContact CG2-CD1 4.43Å; V37-L249 HydrophobicContact CG2-CD2 4.1Å; V37-L249 HydrophobicContact CG2-CG 4.26Å; I165-L249 HydrophobicContact CD1-CD1 3.88Å; I165-L249 HydrophobicContact CD1-CD2 3.51Å; I165-L249 HydrophobicContact CD1-CG 4.38Å; I165-L249 HydrophobicContact CG1-CD2 3.95Å; Y187-L249 HydrophobicContact CD1-CD2 3.44Å; Y187-L249 VanDerWaalsContact CD1-CD2 3.44Å; Y187-L249 HydrophobicContact CE1-CD2 4.07Å; Y187-L249 HydrophobicContact CG-CD2 4.11Å; A223-L249 WeakPolarHBondContact CA-O 3.37Å; R224-L249 PolarHBondContact N-O 3.46Å
250	H	97.8	Very high	95.6	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.065	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.7	-179.2	-72.6	-174.2	0	0	0	111.6	L163 V190 L222 A223 G246 E247	L163-H250 HydrophobicContact CD1-CB 3.81Å; V190-H250 HydrophobicContact CG2-CB 4.19Å; V190-H250 PolarHBondContact N-ND1 3.11Å; L222-H250 CarbonylContact O-C 3.52Å; L222-H250 VanDerWaalsContact O-CA 3.26Å; L222-H250 WeakPolarHBondContact O-CA 3.47Å; A223-H250 WeakPolarHBondContact CB-CD2 3.42Å; A223-H250 WeakPolarHBondContact CB-NE2 3.48Å; G246-H250 PolarHBondContact O-CE1 3.18Å; G246-H250 VanDerWaalsContact O-CE1 3.29Å; G246-H250 PolarHBondContact O-NE2 2.89Å; G246-H250 VanDerWaalsContact O-NE2 3.13Å; E247-H250 PolarHBondContact O-NE2 3.21Å
251	S	98.2	Very high	95.5	Very high	11 Å²	11	42.7 Å²	42.7	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.1	168.5	-65.7	0	0	0	0	109.2	V190 L222	V190-S251 WeakPolarHBondContact CG2-O 3.34Å; L222-S251 PolarHBondContact N-O 3.13Å; L222-S251 PolarHBondContact O-N 3.05Å
252	L	98.8	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.2	177.3	177.5	63.2	0	0	0	109	C161 L163 V190 A193 L197 C219 V220 M240	C161-L252 WeakPolarHBondContact CA-O 3.29Å; C161-L252 HydrophobicContact CB-CB 4.12Å; C161-L252 VanDerWaalsContact CB-O 3.24Å; C161-L252 WeakPolarHBondContact CB-O 3.47Å; C161-L252 PolarHBondContact N-O 3.12Å; C161-L252 PolarHBondContact O-N 3.12Å; C161-L252 VanDerWaalsContact O-N 3.11Å; L163-L252 HydrophobicContact CD2-CB 4.31Å; V190-L252 HydrophobicContact CG1-CD1 4.13Å; V190-L252 HydrophobicContact CG2-CB 4.31Å; A193-L252 HydrophobicContact CB-CD2 4.26Å; L197-L252 HydrophobicContact CD1-CD2 3.6Å; C219-L252 HydrophobicContact CB-CD1 3.95Å; V220-L252 CarbonylContact O-C 3.6Å; M240-L252 HydrophobicContact CG-CD1 4.23Å; M240-L252 HydrophobicContact SD-CD1 4.49Å
253	I	98.9	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.4	171	-54.6	170.8	0	0	0	108.3	V117 L122 F127 H158 T159 L160 C219 V220 L222	V117-I253 HydrophobicContact CB-CD1 4.05Å; V117-I253 HydrophobicContact CG1-CD1 4.37Å; L122-I253 HydrophobicContact CD1-CD1 4.3Å; L122-I253 HydrophobicContact CD1-CG2 3.66Å; F127-I253 HydrophobicContact CE1-CD1 4.02Å; F127-I253 HydrophobicContact CE1-CG1 4.22Å; F127-I253 HydrophobicContact CE1-CG2 3.77Å; F127-I253 HydrophobicContact CZ-CD1 3.94Å; F127-I253 HydrophobicContact CZ-CG2 4.14Å; H158-I253 HydrophobicContact CB-CG2 4.19Å; T159-I253 VanDerWaalsContact O-CA 3.31Å; T159-I253 WeakPolarHBondContact O-CA 3.49Å; L160-I253 HydrophobicContact CD1-CG1 4.11Å; C219-I253 CarbonylContact C-O 3.56Å; C219-I253 WeakPolarHBondContact CA-O 3.12Å; C219-I253 WeakPolarHBondContact CB-O 2.94Å; V220-I253 HydrophobicContact CB-CB 4.1Å; V220-I253 HydrophobicContact CB-CD1 4.41Å; V220-I253 PolarHBondContact N-O 3.01Å; V220-I253 PolarHBondContact O-N 3.18Å; L222-I253 HydrophobicContact CD1-CD1 3.43Å; L222-I253 VanDerWaalsContact CD1-CD1 3.43Å; L222-I253 HydrophobicContact CD1-CG1 3.7Å
254	I	98.7	Very high	95.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.8	170.3	-59.4	171.7	0	0	0	106.9	V149 H158 T159 L197 I213 T217	V149-I254 HydrophobicContact CG1-CB 4.43Å; V149-I254 HydrophobicContact CG1-CD1 3.61Å; V149-I254 HydrophobicContact CG1-CG2 4.12Å; V149-I254 HydrophobicContact CG2-CD1 4.14Å; H158-I254 WeakPolarHBondContact CA-O 3.48Å; T159-I254 PolarHBondContact N-O 2.88Å; T159-I254 PolarHBondContact O-N 2.92Å; L197-I254 HydrophobicContact CD1-CD1 3.87Å; L197-I254 HydrophobicContact CD2-CD1 4.29Å; I213-I254 HydrophobicContact CD1-CD1 4.2Å; I213-I254 HydrophobicContact CG2-CG2 3.85Å; T217-I254 HydrophobicContact CG2-CG2 4.11Å
255	T	97.9	Very high	95.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.6	154.1	-176	60.6	0	0	0	0	112	L122 R153 H158 L218 I259 L267	L122-T255 HydrophobicContact CD1-CG2 4.34Å; R153-T255 PolarHBondContact NH1-O 2.99Å; H158-T255 WeakPolarHBondContact ND1-CA 3.29Å; L218-T255 HydrophobicContact CB-CG2 4.46Å; L218-T255 HydrophobicContact CD2-CG2 4.35Å; L218-T255 HydrophobicContact CG-CG2 4.22Å; L218-T255 WeakPolarHBondContact O-CB 3.47Å; L218-T255 WeakPolarHBondContact O-CG2 3.38Å; L218-T255 PolarHBondContact O-N 2.98Å; L218-T255 PolarHBondContact O-OG1 2.99Å; T255-I259 HydrophobicContact CG2-CD1 3.91Å; T255-L267 HydrophobicContact CG2-CD1 4.45Å
256	G	94.9	Very high	95.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.7	168.3	169	0	0	0	0	0	111.8	R153 M157 H158 S258	R153-G256 PolarHBondContact NH1-O 3.36Å; M157-G256 VanDerWaalsContact O-CA 3.25Å; M157-G256 WeakPolarHBondContact O-CA 3.47Å; H158-G256 PolarHBondContact ND1-N 3.18Å; H158-G256 VanDerWaalsContact ND1-N 3.18Å; G256-S258 PolarHBondContact O-N 3.13Å
257	G	86.4	Confident	95.6	Very high	57 Å²	57	47.5 Å²	47.5	59%	0.588	26%	0.264	S	S	*	.	S	Bend	trans	-67.3	-16.8	177.8	0	0	0	0	0	114.3
258	S	87.3	Confident	95.7	Very high	82 Å²	82	45.7 Å²	45.7	57%	0.573	26%	0.259	S	S	*	.			trans	-128.9	121.5	177.3	-179.5	0	0	0	0	110.3	K126 G256	K126-S258 PolarHBondContact NZ-O 3.26Å; G256-S258 PolarHBondContact O-N 3.13Å
259	I	92.8	Very high	95.9	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.185	28%	0.276	C	S	.	.			trans	-112	133.2	-179.6	-53.5	179.3	0	0	0	108	L218 T255 E263 M264	L218-I259 HydrophobicContact CD2-CD1 3.58Å; T255-I259 HydrophobicContact CG2-CD1 3.91Å; I259-E263 HydrophobicContact CG2-CB 3.53Å; I259-M264 HydrophobicContact CB-CG 4.02Å; I259-M264 HydrophobicContact CB-SD 3.92Å; I259-M264 HydrophobicContact CD1-SD 3.72Å; I259-M264 HydrophobicContact CG1-SD 4.42Å; I259-M264 HydrophobicContact CG2-CG 3.63Å; I259-M264 HydrophobicContact CG2-SD 3.65Å
260	H	94.4	Very high	96.1	Very high	84 Å²	84	50 Å²	50	39%	0.389	28%	0.277	S	S	.	.			trans	-68	143.9	177.8	-173.4	-87.1	0	0	0	109.8	M262 E263 M264	H260-M262 VanDerWaalsContact C-N 3.26Å; H260-M262 WeakPolarHBondContact ND1-CB 3.4Å; H260-M262 PolarHBondContact ND1-N 3.09Å; H260-M262 VanDerWaalsContact ND1-N 3.18Å; H260-M262 PolarHBondContact O-N 3.22Å; H260-M262 VanDerWaalsContact O-N 3.16Å; H260-E263 HydrophobicContact CB-CB 4.32Å; H260-E263 HydrophobicContact CB-CG 3.97Å; H260-E263 VanDerWaalsContact CB-OE2 3.3Å; H260-E263 WeakPolarHBondContact CB-OE2 3.24Å; H260-E263 PolarHBondContact N-OE2 3.19Å; H260-E263 WeakPolarHBondContact O-CA 3.34Å; H260-E263 VanDerWaalsContact O-CB 3.32Å; H260-E263 WeakPolarHBondContact O-CB 3.4Å; H260-E263 PolarHBondContact O-N 3.13Å; H260-M264 PolarHBondContact O-N 3.44Å
261	P	96.4	Very high	96.1	Very high	88 Å²	88	52.2 Å²	52.2	57%	0.571	29%	0.294	S	S	*	.	H	α-helix	trans	-52.7	-41	-179.1	-30	36.2	0	0	0	114.1	E263 M264 E265	P261-E263 VanDerWaalsContact C-N 3.34Å; P261-E263 PolarHBondContact O-N 3.26Å; P261-M264 WeakPolarHBondContact O-CB 3.39Å; P261-M264 PolarHBondContact O-N 2.92Å; P261-E265 PolarHBondContact O-N 2.63Å
262	M	96.5	Very high	95.9	Very high	117 Å²	117	53.1 Å²	53.1	58%	0.576	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-36	174.3	-172.3	-177.4	-67.8	0	0	113.5	H260 M264 E265 M266	H260-M262 VanDerWaalsContact C-N 3.26Å; H260-M262 WeakPolarHBondContact ND1-CB 3.4Å; H260-M262 PolarHBondContact ND1-N 3.09Å; H260-M262 VanDerWaalsContact ND1-N 3.18Å; H260-M262 PolarHBondContact O-N 3.22Å; H260-M262 VanDerWaalsContact O-N 3.16Å; M262-M264 VanDerWaalsContact C-N 3.35Å; M262-E265 PolarHBondContact O-N 3.08Å; M262-M266 PolarHBondContact O-N 2.89Å; M262-M266 VanDerWaalsContact O-N 3.07Å
263	E	97.7	Very high	95.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-42	174.3	-69	178	129.3	0	0	109.8	L122 Q123 K126 H158 I259 H260 P261 M266 L267	L122-E263 HydrophobicContact CD2-CB 4.04Å; L122-E263 HydrophobicContact CD2-CG 4.29Å; Q123-E263 WeakPolarHBondContact CB-OE1 3.47Å; Q123-E263 HydrophobicContact CG-CG 4Å; Q123-E263 WeakPolarHBondContact CG-OE1 3.25Å; Q123-E263 PolarHBondContact N-OE1 2.88Å; K126-E263 IonicContact NZ-OE2 3.31Å; K126-E263 PolarHBondContact NZ-OE2 3.48Å; H158-E263 IonicContact NE2-OE1 2.84Å; H158-E263 PolarHBondContact NE2-OE1 2.76Å; H158-E263 IonicContact NE2-OE2 3.13Å; I259-E263 HydrophobicContact CG2-CB 3.53Å; H260-E263 HydrophobicContact CB-CB 4.32Å; H260-E263 HydrophobicContact CB-CG 3.97Å; H260-E263 VanDerWaalsContact CB-OE2 3.3Å; H260-E263 WeakPolarHBondContact CB-OE2 3.24Å; H260-E263 PolarHBondContact N-OE2 3.19Å; H260-E263 WeakPolarHBondContact O-CA 3.34Å; H260-E263 VanDerWaalsContact O-CB 3.32Å; H260-E263 WeakPolarHBondContact O-CB 3.4Å; H260-E263 PolarHBondContact O-N 3.13Å; P261-E263 VanDerWaalsContact C-N 3.34Å; P261-E263 PolarHBondContact O-N 3.26Å; E263-M266 PolarHBondContact O-N 2.79Å; E263-L267 VanDerWaalsContact O-CG 3.3Å; E263-L267 WeakPolarHBondContact O-CG 3.32Å; E263-L267 PolarHBondContact O-N 3.01Å
264	M	96.9	Very high	94.3	Very high	69 Å²	69	66.1 Å²	66.1	34%	0.34	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.6	-72.6	-58.9	-61.4	0	0	112.5	L218 I259 H260 P261 M262 M266 L267 N268	L218-M264 HydrophobicContact CD2-CE 4.13Å; L218-M264 HydrophobicContact CD2-SD 3.81Å; I259-M264 HydrophobicContact CB-CG 4.02Å; I259-M264 HydrophobicContact CB-SD 3.92Å; I259-M264 HydrophobicContact CD1-SD 3.72Å; I259-M264 HydrophobicContact CG1-SD 4.42Å; I259-M264 HydrophobicContact CG2-CG 3.63Å; I259-M264 HydrophobicContact CG2-SD 3.65Å; H260-M264 PolarHBondContact O-N 3.44Å; P261-M264 WeakPolarHBondContact O-CB 3.39Å; P261-M264 PolarHBondContact O-N 2.92Å; M262-M264 VanDerWaalsContact C-N 3.35Å; M264-M266 VanDerWaalsContact C-N 3.29Å; M264-M266 PolarHBondContact O-N 3.37Å; M264-L267 PolarHBondContact O-N 3.41Å; M264-N268 PolarHBondContact O-N 3.49Å; M264-N268 PolarHBondContact O-ND2 3.03Å; M264-N268 PolarHBondContact O-OD1 2.96Å
265	E	97.5	Very high	92.3	Very high	134 Å²	134	73.4 Å²	73.4	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-59	-41.3	175.9	-75.3	177.5	-162.6	0	0	111.8	P261 M262 N268	P261-E265 PolarHBondContact O-N 2.63Å; M262-E265 PolarHBondContact O-N 3.08Å; E265-N268 PolarHBondContact O-N 3.07Å
266	M	97.8	Very high	89.5	Confident	72 Å²	72	77.9 Å²	77.9	36%	0.355	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-42.9	174.6	-76.6	-62.1	-74.2	0	0	112.5	M262 E263 M264 N268 L269 F270	M262-M266 PolarHBondContact O-N 2.89Å; M262-M266 VanDerWaalsContact O-N 3.07Å; E263-M266 PolarHBondContact O-N 2.79Å; M264-M266 VanDerWaalsContact C-N 3.29Å; M264-M266 PolarHBondContact O-N 3.37Å; M266-N268 PolarHBondContact O-N 3.27Å; M266-L269 HydrophobicContact CE-CD1 4.33Å; M266-L269 VanDerWaalsContact O-CB 3.31Å; M266-L269 WeakPolarHBondContact O-CB 3.46Å; M266-L269 PolarHBondContact O-N 2.89Å; M266-L269 VanDerWaalsContact O-N 3.13Å; M266-L269 HydrophobicContact SD-CD1 3.87Å; M266-F270 WeakPolarHBondContact O-CD2 3.28Å; M266-F270 WeakPolarHBondContact O-CE2 3.35Å
267	L	97.8	Very high	86.8	Confident	2 Å²	2	83 Å²	83	1%	0.01	47%	0.473	C	S	.	.	H	α-helix	trans	-63.5	-31.3	178.6	-69.5	-178.1	0	0	0	112.5	C120 L122 L218 V220 A234 T255 E263 M264 L269 F270 S271	C120-L267 WeakPolarHBondContact O-CD2 3.47Å; L122-L267 HydrophobicContact CD2-CD1 4.03Å; L122-L267 HydrophobicContact CD2-CD2 4.5Å; L122-L267 HydrophobicContact CD2-CG 4.42Å; L122-L267 HydrophobicContact CG-CD2 4.35Å; L218-L267 HydrophobicContact CD2-CD1 3.7Å; L218-L267 HydrophobicContact CG-CD1 4.47Å; V220-L267 HydrophobicContact CG2-CD1 4.39Å; V220-L267 HydrophobicContact CG2-CD2 3.51Å; A234-L267 HydrophobicContact CB-CB 4.09Å; A234-L267 HydrophobicContact CB-CD2 4.15Å; T255-L267 HydrophobicContact CG2-CD1 4.45Å; E263-L267 VanDerWaalsContact O-CG 3.3Å; E263-L267 WeakPolarHBondContact O-CG 3.32Å; E263-L267 PolarHBondContact O-N 3.01Å; M264-L267 PolarHBondContact O-N 3.41Å; L267-L269 PolarHBondContact O-N 3.04Å; L267-F270 CarbonylContact O-C 3.3Å; L267-F270 PolarHBondContact O-N 3.32Å; L267-S271 PolarHBondContact O-N 3.36Å
268	N	97	Very high	84.5	Confident	99 Å²	99	87 Å²	87	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-21.7	176.4	-71.7	-20.1	0	0	0	113.4	M264 E265 M266 F270 S271	M264-N268 PolarHBondContact O-N 3.49Å; M264-N268 PolarHBondContact O-ND2 3.03Å; M264-N268 PolarHBondContact O-OD1 2.96Å; E265-N268 PolarHBondContact O-N 3.07Å; M266-N268 PolarHBondContact O-N 3.27Å; N268-F270 PolarHBondContact O-N 2.89Å; N268-S271 WeakPolarHBondContact CA-OG 3.42Å; N268-S271 PolarHBondContact O-OG 2.88Å
269	L	97.4	Very high	82.2	Confident	123 Å²	123	88 Å²	88	64%	0.644	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.9	172.6	-57.8	177.4	0	0	0	112.5	M266 L267	M266-L269 HydrophobicContact CE-CD1 4.33Å; M266-L269 VanDerWaalsContact O-CB 3.31Å; M266-L269 WeakPolarHBondContact O-CB 3.46Å; M266-L269 PolarHBondContact O-N 2.89Å; M266-L269 VanDerWaalsContact O-N 3.13Å; M266-L269 HydrophobicContact SD-CD1 3.87Å; L267-L269 PolarHBondContact O-N 3.04Å
270	F	97.5	Very high	79.5	Confident	56 Å²	56	93 Å²	93	25%	0.246	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	13.6	-174.3	-49.9	-65.9	0	0	0	112.7	I232 A233 A234 M266 L267 N268 I272	I232-F270 HydrophobicContact CB-CB 4.42Å; I232-F270 HydrophobicContact CB-CD1 3.81Å; I232-F270 HydrophobicContact CB-CE1 4.16Å; I232-F270 HydrophobicContact CB-CG 3.99Å; I232-F270 HydrophobicContact CD1-CE1 4.09Å; I232-F270 HydrophobicContact CD1-CE2 4.43Å; I232-F270 HydrophobicContact CD1-CZ 4.01Å; I232-F270 HydrophobicContact CG2-CB 3.95Å; I232-F270 HydrophobicContact CG2-CD1 4.02Å; I232-F270 HydrophobicContact CG2-CD2 3.86Å; I232-F270 HydrophobicContact CG2-CE2 4.37Å; I232-F270 HydrophobicContact CG2-CG 3.66Å; A233-F270 CarbonylContact C-O 3.53Å; A233-F270 WeakPolarHBondContact CA-O 3.43Å; A234-F270 HydrophobicContact CB-CB 4.26Å; A234-F270 PolarHBondContact N-O 2.78Å; M266-F270 WeakPolarHBondContact O-CD2 3.28Å; M266-F270 WeakPolarHBondContact O-CE2 3.35Å; L267-F270 CarbonylContact O-C 3.3Å; L267-F270 PolarHBondContact O-N 3.32Å; N268-F270 PolarHBondContact O-N 2.89Å; F270-I272 PolarHBondContact O-N 2.62Å
271	S	96.9	Very high	76.8	Confident	62 Å²	62	93.4 Å²	93.4	43%	0.434	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-56.8	129.9	-176	-68.4	0	0	0	0	112.1	A234 L267 N268 P273	A234-S271 CarbonylContact O-C 3.57Å; A234-S271 VanDerWaalsContact O-CA 3.31Å; A234-S271 WeakPolarHBondContact O-CA 3.47Å; L267-S271 PolarHBondContact O-N 3.36Å; N268-S271 WeakPolarHBondContact CA-OG 3.42Å; N268-S271 PolarHBondContact O-OG 2.88Å; S271-P273 WeakPolarHBondContact O-CD 3.2Å
272	I	94.7	Very high	74.1	Confident	30 Å²	30	97.8 Å²	97.8	15%	0.154	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.4	168	-63.5	173.6	0	0	0	107.2	A233 A234 Q239 M240 V243 F270 E274	A233-I272 HydrophobicContact CB-CD1 4.19Å; A233-I272 HydrophobicContact CB-CG1 3.85Å; A234-I272 PolarHBondContact O-N 2.83Å; Q239-I272 HydrophobicContact CB-CD1 3.78Å; Q239-I272 HydrophobicContact CB-CG2 4.35Å; M240-I272 HydrophobicContact CE-CD1 3.39Å; M240-I272 HydrophobicContact CE-CG1 4.44Å; M240-I272 HydrophobicContact SD-CD1 4.24Å; V243-I272 HydrophobicContact CB-CD1 3.85Å; V243-I272 HydrophobicContact CG2-CD1 3.76Å; V243-I272 HydrophobicContact CG2-CG1 4.04Å; F270-I272 PolarHBondContact O-N 2.62Å; I272-E274 PolarHBondContact O-N 3.33Å
273	P	85.8	Confident	71.7	Confident	102 Å²	102	99.3 Å²	99.3	66%	0.662	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-55.8	133.8	176.7	-22.7	32.1	0	0	0	110	S271 N275	S271-P273 WeakPolarHBondContact O-CD 3.2Å; P273-N275 PolarHBondContact O-N 3.26Å; P273-N275 VanDerWaalsContact O-N 3.08Å
274	E	77.1	Confident	69	Low	171 Å²	171	102.6 Å²	102.6	80%	0.799	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.1	116.3	163.1	-70.3	-174.7	175	0	0	106.5	I272 S276	I272-E274 PolarHBondContact O-N 3.33Å; E274-S276 VanDerWaalsContact C-N 3.26Å; E274-S276 PolarHBondContact O-N 2.85Å
275	N	57.8	Low	66.2	Low	154 Å²	154	111.4 Å²	111.4	82%	0.824	63%	0.625	S	S	*	*			trans	-59.8	103.7	162.8	-80.3	-18.6	0	0	0	105	P273 S277	P273-N275 PolarHBondContact O-N 3.26Å; P273-N275 VanDerWaalsContact O-N 3.08Å; N275-S277 PolarHBondContact O-N 3.31Å
276	S	37.9	Very low	64.6	Low	96 Å²	96	110.3 Å²	110.3	67%	0.671	63%	0.625	S	S	*	*			trans	-56	97.8	167.5	48.4	0	0	0	0	106.1	E274 E278	E274-S276 VanDerWaalsContact C-N 3.26Å; E274-S276 PolarHBondContact O-N 2.85Å; S276-E278 PolarHBondContact O-N 3.29Å
277	S	39.8	Very low	62.9	Low	109 Å²	109	112.3 Å²	112.3	76%	0.762	64%	0.64	S	S	*	*			trans	-63.8	82.2	156.2	49.5	0	0	0	0	105.3	N275 S279	N275-S277 PolarHBondContact O-N 3.31Å; S277-S279 PolarHBondContact O-N 3.01Å
278	E	37.3	Very low	60.9	Low	139 Å²	139	118.4 Å²	118.4	65%	0.65	68%	0.675	S	S	*	*			trans	-60.8	85.6	157	-79.1	-167.6	-179.8	0	0	105.9	S276 Q280	S276-E278 PolarHBondContact O-N 3.29Å; E278-Q280 HydrophobicContact CB-CG 4.32Å; E278-Q280 PolarHBondContact O-N 2.96Å; E278-Q280 PolarHBondContact OE2-NE2 3.02Å
279	S	38.6	Very low	58.8	Low	105 Å²	105	119.5 Å²	119.5	73%	0.734	68%	0.683	S	S	*	*			trans	-61.1	82.9	141.5	52.6	0	0	0	0	105.7	S277 S281	S277-S279 PolarHBondContact O-N 3.01Å; S279-S281 PolarHBondContact O-N 3.47Å
280	Q	36.6	Very low	56.4	Low	140 Å²	140	119.3 Å²	119.3	65%	0.654	69%	0.686	S	S	*	*			trans	-62.2	89.9	153.3	-74.3	-173.8	8.1	0	0	105.2	E278 M282	E278-Q280 HydrophobicContact CB-CG 4.32Å; E278-Q280 PolarHBondContact O-N 2.96Å; E278-Q280 PolarHBondContact OE2-NE2 3.02Å; Q280-M282 PolarHBondContact O-N 3.25Å
281	S	37.8	Very low	53.7	Low	93 Å²	93	123.5 Å²	123.5	65%	0.65	72%	0.715	S	S	*	*			trans	-53.4	96.1	150.9	47.9	0	0	0	0	106	S279 D283	S279-S281 PolarHBondContact O-N 3.47Å; S281-D283 PolarHBondContact O-N 3.08Å
282	M	40.7	Very low	50.6	Low	179 Å²	179	127.9 Å²	127.9	88%	0.882	74%	0.735	S	S	*	*			trans	-65.3	78.4	154.3	-83.1	-169.8	-169.7	0	0	106.8	Q280	Q280-M282 PolarHBondContact O-N 3.25Å
283	D	44.3	Very low	47.2	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	78%	0.78	S	S	*	*			trans	-115.9	109.1	158.7	-91.9	-27.1	0	0	0	107.3	S281	S281-D283 PolarHBondContact O-N 3.08Å
284	G	42.4	Very low	44	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	79%	0.79	S	S	*	*			trans	87.7	92.9	145.2	0	0	0	0	0	117.9
285	L	37.4	Very low	41	Very low	254 Å²	254	135.3 Å²	135.3	100%	1.33	79%	0.789	S	S	*	*				-170.4	0	106.2	-98.2	155.1	0	0	0	111.2

Retrieved 285 of 285 residues in 231.7 ms (Link to these results)

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