A0A3Q0KDI0_SCHMA 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 A0A3Q0KDI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	95.7	Very high	93.2	Very high	65 Å²	65	16.7 Å²	16.7	32%	0.32	10%	0.102	S	C	.	.				0	148.6	0	175.5	73.4	73.2	0	0	109.1	Y3 A71 H74 D75 V76 S103	M1-Y3 HydrophobicContact CB-CE2 3.81Å; M1-Y3 HydrophobicContact CG-CD2 4.06Å; M1-Y3 HydrophobicContact CG-CE1 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.46Å; M1-Y3 VanDerWaalsContact CG-CE2 3.46Å; M1-Y3 WeakPolarHBondContact CG-OH 3.43Å; M1-A71 PolarHBondContact N-O 2.86Å; M1-H74 PolarHBondContact N-O 3.12Å; M1-D75 WeakPolarHBondContact CB-OD1 3.44Å; M1-D75 PolarHBondContact N-OD1 3.39Å; M1-D75 WeakPolarHBondContact O-CA 3.33Å; M1-V76 PolarHBondContact O-N 3.24Å; M1-S103 WeakPolarHBondContact SD-CB 3.23Å
2	L	97.9	Very high	92.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127	171.6	-179	62.3	0	0	0	111.6	L4 I67 I68 A71 V76 I93 A97 I102 S103 Y104 Q105	L2-L4 HydrophobicContact CD2-CD1 4.07Å; L2-L4 HydrophobicContact CG-CD1 4.02Å; L2-I67 HydrophobicContact CD1-CG2 3.7Å; L2-I68 HydrophobicContact CD2-CD1 4.16Å; L2-A71 HydrophobicContact CB-CB 4.1Å; L2-A71 HydrophobicContact CD1-CB 4.48Å; L2-V76 CarbonylContact C-O 3.54Å; L2-V76 HydrophobicContact CD1-CB 4.2Å; L2-V76 HydrophobicContact CD1-CG1 4.13Å; L2-I93 HydrophobicContact CD2-CG2 3.59Å; L2-A97 HydrophobicContact CD2-CB 3.9Å; L2-I102 HydrophobicContact CB-CG2 4.23Å; L2-S103 PolarHBondContact N-O 3.45Å; L2-Y104 CarbonylContact O-C 3.45Å; L2-Y104 WeakPolarHBondContact O-CA 3.03Å; L2-Q105 PolarHBondContact O-N 2.88Å
3	Y	98.1	Very high	91.7	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.047	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.6	175.6	-63.5	-83.9	0	0	0	110	M1 V22 K25 C26 D75 V76 A77 F78 Q105	M1-Y3 HydrophobicContact CB-CE2 3.81Å; M1-Y3 HydrophobicContact CG-CD2 4.06Å; M1-Y3 HydrophobicContact CG-CE1 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.46Å; M1-Y3 VanDerWaalsContact CG-CE2 3.46Å; M1-Y3 WeakPolarHBondContact CG-OH 3.43Å; Y3-V22 HydrophobicContact CD1-CG1 3.59Å; Y3-V22 HydrophobicContact CD1-CG2 4.17Å; Y3-V22 HydrophobicContact CD2-CG1 3.81Å; Y3-V22 HydrophobicContact CE1-CG1 4.15Å; Y3-V22 HydrophobicContact CE1-CG2 4.26Å; Y3-V22 HydrophobicContact CE2-CG1 4.32Å; Y3-V22 HydrophobicContact CG-CG1 3.41Å; Y3-V22 VanDerWaalsContact CG-CG1 3.41Å; Y3-K25 VanDerWaalsContact CZ-NZ 3.26Å; Y3-K25 VanDerWaalsContact OH-CE 3.29Å; Y3-K25 WeakPolarHBondContact OH-CE 3.45Å; Y3-K25 PolarHBondContact OH-NZ 3Å; Y3-C26 WeakPolarHBondContact CD2-SG 3.27Å; Y3-D75 HydrophobicContact CE2-CB 4.2Å; Y3-V76 PolarHBondContact N-O 3.1Å; Y3-A77 CarbonylContact O-C 3.59Å; Y3-A77 WeakPolarHBondContact O-CA 3.3Å; Y3-F78 PolarHBondContact O-N 3.41Å; Y3-Q105 WeakPolarHBondContact CA-O 3.5Å; Y3-Q105 HydrophobicContact CD1-CB 3.82Å; Y3-Q105 HydrophobicContact CD1-CG 4.33Å; Y3-Q105 HydrophobicContact CE1-CB 3.9Å; Y3-Q105 HydrophobicContact CE1-CG 4.37Å
4	L	97.8	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118	166.9	-75.9	82	0	0	0	107.5	L2 F78 P84 H90 I94 Q105 I107	L2-L4 HydrophobicContact CD2-CD1 4.07Å; L2-L4 HydrophobicContact CG-CD1 4.02Å; L4-F78 WeakPolarHBondContact CA-O 3.34Å; L4-P84 HydrophobicContact CB-CB 3.88Å; L4-P84 HydrophobicContact CB-CG 4.16Å; L4-P84 HydrophobicContact CD2-CB 4.26Å; L4-H90 HydrophobicContact CD2-CB 4.27Å; L4-I94 HydrophobicContact CD1-CG1 4.08Å; L4-I94 HydrophobicContact CD2-CD1 4.13Å; L4-I94 HydrophobicContact CD2-CG1 3.92Å; L4-Q105 PolarHBondContact N-O 3.19Å; L4-I107 PolarHBondContact O-N 2.57Å
5	V	96.7	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.7	-169.1	-174.8	0	0	0	0	110.7	L15 V22 F78 L79 V80 I107	V5-L15 HydrophobicContact CG1-CD1 3.97Å; V5-V22 HydrophobicContact CG2-CG1 4.23Å; V5-F78 PolarHBondContact N-O 3.48Å; V5-L79 HydrophobicContact CB-CD2 3.76Å; V5-L79 HydrophobicContact CG1-CD2 4.07Å; V5-L79 HydrophobicContact CG2-CD2 4.43Å; V5-L79 WeakPolarHBondContact O-CA 3.32Å; V5-V80 PolarHBondContact O-N 3.09Å; V5-I107 HydrophobicContact CB-CB 4.4Å; V5-I107 HydrophobicContact CG1-CB 4.19Å; V5-I107 HydrophobicContact CG1-CG2 4.35Å; V5-I107 HydrophobicContact CG2-CB 4.22Å; V5-I107 HydrophobicContact CG2-CG1 4.03Å
6	G	95.9	Very high	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.5	173.3	0	0	0	0	0	111.5	V80 G82 I107 N109	G6-V80 WeakPolarHBondContact CA-O 3.47Å; G6-G82 CarbonylContact C-O 3.57Å; G6-G82 WeakPolarHBondContact CA-O 3.25Å; G6-I107 PolarHBondContact N-O 2.86Å; G6-N109 WeakPolarHBondContact O-CB 3.31Å; G6-N109 PolarHBondContact O-ND2 3.34Å
7	L	93.1	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.			trans	-87.3	-15.3	179	-64.3	-175.3	0	0	0	113.6	F12 D14 L15 L31 L79 V80 G82	L7-F12 HydrophobicContact CD1-CE1 3.84Å; L7-F12 HydrophobicContact CD1-CZ 3.77Å; L7-F12 HydrophobicContact CD2-CD1 4.28Å; L7-F12 HydrophobicContact CD2-CE1 3.56Å; L7-F12 HydrophobicContact CD2-CZ 4.35Å; L7-F12 HydrophobicContact CG-CE1 4.26Å; L7-D14 CarbonylContact O-C 3.53Å; L7-L15 HydrophobicContact CD2-CD1 3.9Å; L7-L15 PolarHBondContact O-N 3.45Å; L7-L31 HydrophobicContact CD1-CD1 3.64Å; L7-L79 HydrophobicContact CD1-CB 4.06Å; L7-L79 HydrophobicContact CD2-CB 4.04Å; L7-L79 HydrophobicContact CD2-CD1 4.2Å; L7-L79 HydrophobicContact CD2-CD2 3.84Å; L7-L79 HydrophobicContact CD2-CG 4.25Å; L7-L79 HydrophobicContact CG-CB 4.11Å; L7-V80 PolarHBondContact N-O 2.82Å; L7-G82 PolarHBondContact N-O 3.21Å
8	G	93	Very high	92.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	83.2	-167.9	-166.7	0	0	0	0	0	111.1	G82 N109	G8-G82 PolarHBondContact N-O 3.37Å; G8-G82 WeakPolarHBondContact O-CA 3Å; G8-G82 PolarHBondContact O-N 3.24Å; G8-N109 PolarHBondContact N-ND2 3.34Å; G8-N109 VanDerWaalsContact N-ND2 3.16Å
9	L	90.7	Very high	92.5	Very high	35 Å²	35	34.6 Å²	34.6	18%	0.183	19%	0.193	C	C	.	.	S	Bend	trans	-111.8	-32.9	-162.5	-60.6	173.2	0	0	0	114.3	D14 A110 A115 L227	L9-D14 PolarHBondContact N-OD2 3.47Å; L9-A110 HydrophobicContact CD1-CB 4.26Å; L9-A110 HydrophobicContact CG-CB 4.25Å; L9-A115 HydrophobicContact CD1-CB 3.36Å; L9-L227 WeakPolarHBondContact CB-O 3.43Å; L9-L227 HydrophobicContact CD1-CB 4.41Å
10	G	84.4	Confident	92.6	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	19%	0.194	C	C	.	.	S	Bend	trans	-94.6	-57.2	-172.2	0	0	0	0	0	113.7	D14	G10-D14 WeakPolarHBondContact CA-OD2 3.37Å; G10-D14 PolarHBondContact N-OD2 2.9Å
11	S	82.4	Confident	92.6	Very high	50 Å²	50	38.4 Å²	38.4	35%	0.35	21%	0.208	S	C	.	.			trans	-156.5	180	-178.3	100.4	0	0	0	0	112.3	S13 D14	S11-S13 PolarHBondContact O-N 3.17Å; S11-S13 VanDerWaalsContact O-N 3.12Å; S11-S13 WeakPolarHBondContact OG-CB 3.41Å; S11-S13 PolarHBondContact OG-N 3.21Å; S11-S13 PolarHBondContact OG-OG 3.09Å; S11-D14 PolarHBondContact N-OD2 3.03Å; S11-D14 WeakPolarHBondContact O-CB 3.36Å; S11-D14 PolarHBondContact O-N 2.78Å
12	F	82	Confident	92.6	Very high	15 Å²	15	35.6 Å²	35.6	7%	0.066	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63.5	-15.9	175.4	-88.1	-69.9	0	0	0	112.8	L7 D14 L15 F38 G42 F43 L46	L7-F12 HydrophobicContact CD1-CE1 3.84Å; L7-F12 HydrophobicContact CD1-CZ 3.77Å; L7-F12 HydrophobicContact CD2-CD1 4.28Å; L7-F12 HydrophobicContact CD2-CE1 3.56Å; L7-F12 HydrophobicContact CD2-CZ 4.35Å; L7-F12 HydrophobicContact CG-CE1 4.26Å; F12-D14 PolarHBondContact O-N 3.11Å; F12-L15 WeakPolarHBondContact O-CB 3.44Å; F12-L15 PolarHBondContact O-N 3.42Å; F12-L15 VanDerWaalsContact O-N 3.11Å; F12-F38 HydrophobicContact CD2-CD1 4.35Å; F12-F38 AromaticContact CD2-CE1 3.25Å; F12-F38 HydrophobicContact CD2-CE1 3.25Å; F12-F38 AromaticContact CD2-CZ 3.51Å; F12-F38 HydrophobicContact CD2-CZ 3.51Å; F12-F38 AromaticContact CE2-CD1 3.68Å; F12-F38 HydrophobicContact CE2-CD1 3.68Å; F12-F38 AromaticContact CE2-CE1 2.97Å; F12-F38 HydrophobicContact CE2-CE1 2.97Å; F12-F38 AromaticContact CE2-CZ 3.53Å; F12-F38 HydrophobicContact CE2-CZ 3.53Å; F12-F38 HydrophobicContact CG-CE1 4.22Å; F12-F38 HydrophobicContact CG-CZ 4.04Å; F12-F38 HydrophobicContact CZ-CD1 4.23Å; F12-F38 AromaticContact CZ-CE1 3.73Å; F12-F38 HydrophobicContact CZ-CE1 3.73Å; F12-F38 HydrophobicContact CZ-CZ 4.01Å; F12-G42 VanDerWaalsContact CD2-C 3.46Å; F12-G42 VanDerWaalsContact CD2-O 3.27Å; F12-G42 WeakPolarHBondContact CD2-O 3.31Å; F12-F43 HydrophobicContact CD2-CD1 4.36Å; F12-F43 HydrophobicContact CE1-CD1 4.25Å; F12-F43 AromaticContact CE1-CE1 3.9Å; F12-F43 HydrophobicContact CE1-CE1 3.9Å; F12-F43 AromaticContact CE2-CD1 3.34Å; F12-F43 HydrophobicContact CE2-CD1 3.34Å; F12-F43 HydrophobicContact CE2-CD2 4.38Å; F12-F43 AromaticContact CE2-CE1 3.28Å; F12-F43 HydrophobicContact CE2-CE1 3.28Å; F12-F43 HydrophobicContact CE2-CE2 4.18Å; F12-F43 AromaticContact CE2-CG 3.94Å; F12-F43 HydrophobicContact CE2-CG 3.94Å; F12-F43 AromaticContact CE2-CZ 3.59Å; F12-F43 HydrophobicContact CE2-CZ 3.59Å; F12-F43 AromaticContact CZ-CD1 3.39Å; F12-F43 HydrophobicContact CZ-CD1 3.39Å; F12-F43 AromaticContact CZ-CE1 2.91Å; F12-F43 HydrophobicContact CZ-CE1 2.91Å; F12-F43 HydrophobicContact CZ-CE2 4.43Å; F12-F43 HydrophobicContact CZ-CG 4.38Å; F12-F43 AromaticContact CZ-CZ 3.43Å; F12-F43 HydrophobicContact CZ-CZ 3.43Å; F12-F43 VanDerWaalsContact CZ-CZ 3.43Å; F12-L46 HydrophobicContact CD1-CD2 4.16Å; F12-L46 HydrophobicContact CE1-CD2 4.44Å
13	S	84.6	Confident	92.4	Very high	95 Å²	95	35.6 Å²	35.6	66%	0.664	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-57.9	-25.2	168	60.7	0	0	0	0	113.2	S11 L15	S11-S13 PolarHBondContact O-N 3.17Å; S11-S13 VanDerWaalsContact O-N 3.12Å; S11-S13 WeakPolarHBondContact OG-CB 3.41Å; S11-S13 PolarHBondContact OG-N 3.21Å; S11-S13 PolarHBondContact OG-OG 3.09Å; S13-L15 VanDerWaalsContact C-N 3.27Å
14	D	90.5	Very high	92.1	Very high	50 Å²	50	38.5 Å²	38.5	27%	0.267	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-83.8	-7.1	-179.1	-58.1	-9.1	0	0	0	111.9	L7 L9 G10 S11 F12 T16 N109	L7-D14 CarbonylContact O-C 3.53Å; L9-D14 PolarHBondContact N-OD2 3.47Å; G10-D14 WeakPolarHBondContact CA-OD2 3.37Å; G10-D14 PolarHBondContact N-OD2 2.9Å; S11-D14 PolarHBondContact N-OD2 3.03Å; S11-D14 WeakPolarHBondContact O-CB 3.36Å; S11-D14 PolarHBondContact O-N 2.78Å; F12-D14 PolarHBondContact O-N 3.11Å; D14-T16 PolarHBondContact O-N 3.26Å; D14-N109 PolarHBondContact O-ND2 3.14Å; D14-N109 PolarHBondContact O-OD1 2.95Å
15	L	92	Very high	91.9	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.094	23%	0.227	C	C	.	.	S	Bend	trans	-60.4	124.2	175.8	-176.3	65.2	0	0	0	109.2	V5 L7 F12 S13 Y20 L23 L46	V5-L15 HydrophobicContact CG1-CD1 3.97Å; L7-L15 HydrophobicContact CD2-CD1 3.9Å; L7-L15 PolarHBondContact O-N 3.45Å; F12-L15 WeakPolarHBondContact O-CB 3.44Å; F12-L15 PolarHBondContact O-N 3.42Å; F12-L15 VanDerWaalsContact O-N 3.11Å; S13-L15 VanDerWaalsContact C-N 3.27Å; L15-Y20 HydrophobicContact CD2-CD2 4.25Å; L15-L23 HydrophobicContact CD2-CD1 3.8Å; L15-L46 HydrophobicContact CD2-CD1 4.31Å; L15-L46 HydrophobicContact CD2-CD2 4.28Å
16	T	96	Very high	91.8	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	23%	0.227	S	C	.	.			trans	-62.6	149.7	176.5	68.3	0	0	0	0	110.8	D14 K18 G19 Y20 N109	D14-T16 PolarHBondContact O-N 3.26Å; T16-K18 PolarHBondContact O-N 2.87Å; T16-G19 WeakPolarHBondContact O-CA 3.38Å; T16-G19 PolarHBondContact O-N 3.07Å; T16-G19 PolarHBondContact OG1-N 3.35Å; T16-Y20 PolarHBondContact O-N 2.73Å; T16-N109 HydrophobicContact CG2-CB 4.49Å
17	M	95.2	Very high	91.7	Very high	136 Å²	136	47 Å²	47	67%	0.67	25%	0.249	S	C	*	.	H	α-helix	trans	-52.6	-40.1	173.5	-69	-56	-55.7	0	0	112	G19 Y20 D21	M17-G19 VanDerWaalsContact C-N 3.34Å; M17-G19 PolarHBondContact O-N 2.95Å; M17-Y20 PolarHBondContact O-N 2.95Å; M17-D21 VanDerWaalsContact O-CG 3.25Å; M17-D21 PolarHBondContact O-N 3.32Å
18	K	96.5	Very high	91.8	Very high	116 Å²	116	50.5 Å²	50.5	50%	0.504	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.5	-169.4	-176.3	-176.4	-174.4	0	112.3	T16 V22 I107	T16-K18 PolarHBondContact O-N 2.87Å; K18-V22 VanDerWaalsContact O-CG2 3.25Å; K18-V22 WeakPolarHBondContact O-CG2 3.41Å; K18-V22 PolarHBondContact O-N 3.28Å; K18-V22 VanDerWaalsContact O-N 3.17Å; K18-I107 HydrophobicContact CB-CG2 4.32Å; K18-I107 HydrophobicContact CD-CD1 3.86Å; K18-I107 HydrophobicContact CD-CG2 4.28Å; K18-I107 HydrophobicContact CG-CD1 4.06Å; K18-I107 HydrophobicContact CG-CG2 4.27Å
19	G	95.8	Very high	91.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-49.9	173.9	0	0	0	0	0	111	T16 M17 D21 V22 L23	T16-G19 WeakPolarHBondContact O-CA 3.38Å; T16-G19 PolarHBondContact O-N 3.07Å; T16-G19 PolarHBondContact OG1-N 3.35Å; M17-G19 VanDerWaalsContact C-N 3.34Å; M17-G19 PolarHBondContact O-N 2.95Å; G19-D21 PolarHBondContact O-N 3.27Å; G19-V22 WeakPolarHBondContact O-CB 3.45Å; G19-V22 PolarHBondContact O-N 3.43Å; G19-V22 VanDerWaalsContact O-N 3.11Å; G19-L23 WeakPolarHBondContact O-CG 3.43Å; G19-L23 PolarHBondContact O-N 3.15Å
20	Y	93.2	Very high	92	Very high	54 Å²	54	49 Å²	49	21%	0.212	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-47.7	177.7	-176.7	-111.6	0	0	0	113	L15 T16 M17 V22 L23 K24 L46 D47	L15-Y20 HydrophobicContact CD2-CD2 4.25Å; T16-Y20 PolarHBondContact O-N 2.73Å; M17-Y20 PolarHBondContact O-N 2.95Å; Y20-V22 VanDerWaalsContact C-N 3.25Å; Y20-V22 PolarHBondContact O-N 3.47Å; Y20-L23 PolarHBondContact O-N 2.99Å; Y20-L23 VanDerWaalsContact O-N 3.14Å; Y20-K24 HydrophobicContact CE1-CD 4.12Å; Y20-K24 VanDerWaalsContact CE1-CE 3.42Å; Y20-K24 PolarHBondContact O-N 3.21Å; Y20-K24 WeakPolarHBondContact OH-CE 3.32Å; Y20-K24 PolarHBondContact OH-NZ 3.15Å; Y20-L46 HydrophobicContact CD2-CD1 3.83Å; Y20-L46 HydrophobicContact CD2-CG 4.39Å; Y20-L46 HydrophobicContact CE2-CD1 3.82Å; Y20-L46 HydrophobicContact CE2-CG 4.19Å; Y20-D47 WeakPolarHBondContact CE2-O 3.42Å; Y20-D47 PolarHBondContact OH-O 3.38Å
21	D	94.2	Very high	92.3	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-35.3	177.1	-67.8	-22.6	0	0	0	112.3	M17 G19	M17-D21 VanDerWaalsContact O-CG 3.25Å; M17-D21 PolarHBondContact O-N 3.32Å; G19-D21 PolarHBondContact O-N 3.27Å
22	V	94.7	Very high	92.5	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-41.1	176	166.7	0	0	0	0	111.6	Y3 V5 K18 G19 Y20 K24 K25 C26 I107	Y3-V22 HydrophobicContact CD1-CG1 3.59Å; Y3-V22 HydrophobicContact CD1-CG2 4.17Å; Y3-V22 HydrophobicContact CD2-CG1 3.81Å; Y3-V22 HydrophobicContact CE1-CG1 4.15Å; Y3-V22 HydrophobicContact CE1-CG2 4.26Å; Y3-V22 HydrophobicContact CE2-CG1 4.32Å; Y3-V22 HydrophobicContact CG-CG1 3.41Å; Y3-V22 VanDerWaalsContact CG-CG1 3.41Å; V5-V22 HydrophobicContact CG2-CG1 4.23Å; K18-V22 VanDerWaalsContact O-CG2 3.25Å; K18-V22 WeakPolarHBondContact O-CG2 3.41Å; K18-V22 PolarHBondContact O-N 3.28Å; K18-V22 VanDerWaalsContact O-N 3.17Å; G19-V22 WeakPolarHBondContact O-CB 3.45Å; G19-V22 PolarHBondContact O-N 3.43Å; G19-V22 VanDerWaalsContact O-N 3.11Å; Y20-V22 VanDerWaalsContact C-N 3.25Å; Y20-V22 PolarHBondContact O-N 3.47Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 3.31Å; V22-K25 WeakPolarHBondContact O-CG 3.31Å; V22-K25 PolarHBondContact O-N 3Å; V22-C26 PolarHBondContact O-N 3.34Å; V22-C26 VanDerWaalsContact O-N 3.12Å; V22-C26 PolarHBondContact O-SG 3.06Å; V22-I107 HydrophobicContact CG2-CD1 4.21Å; V22-I107 HydrophobicContact CG2-CG1 4.3Å
23	L	93.8	Very high	92.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-35.2	178.9	-58.3	179.5	0	0	0	112.3	L15 G19 Y20 K25 C26 V29 L46 I48 K51 A77 L79	L15-L23 HydrophobicContact CD2-CD1 3.8Å; G19-L23 WeakPolarHBondContact O-CG 3.43Å; G19-L23 PolarHBondContact O-N 3.15Å; Y20-L23 PolarHBondContact O-N 2.99Å; Y20-L23 VanDerWaalsContact O-N 3.14Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.16Å; L23-C26 PolarHBondContact O-N 3.49Å; L23-V29 HydrophobicContact CD2-CG1 3.98Å; L23-V29 HydrophobicContact CD2-CG2 4.33Å; L23-L46 HydrophobicContact CD1-CD2 3.98Å; L23-I48 HydrophobicContact CB-CG2 3.82Å; L23-I48 HydrophobicContact CD1-CG2 4.39Å; L23-K51 PolarHBondContact O-NZ 2.76Å; L23-K51 VanDerWaalsContact O-NZ 3.12Å; L23-A77 HydrophobicContact CD2-CB 3.52Å; L23-L79 HydrophobicContact CD1-CD2 4.02Å; L23-L79 HydrophobicContact CD2-CD2 3.46Å; L23-L79 VanDerWaalsContact CD2-CD2 3.46Å; L23-L79 HydrophobicContact CD2-CG 4.37Å; L23-L79 HydrophobicContact CG-CD2 4.31Å
24	K	92.4	Very high	92.1	Very high	74 Å²	74	42.7 Å²	42.7	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-24.9	174.9	-75.1	-165.5	168.6	179.3	0	114.8	Y20 V22 K51	Y20-K24 HydrophobicContact CE1-CD 4.12Å; Y20-K24 VanDerWaalsContact CE1-CE 3.42Å; Y20-K24 PolarHBondContact O-N 3.21Å; Y20-K24 WeakPolarHBondContact OH-CE 3.32Å; Y20-K24 PolarHBondContact OH-NZ 3.15Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 3.31Å; K24-K51 PolarHBondContact O-NZ 2.81Å
25	K	92.4	Very high	91	Very high	92 Å²	92	42.3 Å²	42.3	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-95.5	-26	176.3	63.5	173.3	-173.1	-170.9	0	114.6	Y3 V22 L23	Y3-K25 VanDerWaalsContact CZ-NZ 3.26Å; Y3-K25 VanDerWaalsContact OH-CE 3.29Å; Y3-K25 WeakPolarHBondContact OH-CE 3.45Å; Y3-K25 PolarHBondContact OH-NZ 3Å; V22-K25 WeakPolarHBondContact O-CG 3.31Å; V22-K25 PolarHBondContact O-N 3Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.16Å
26	C	95	Very high	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.			trans	-67.5	139.5	-175.8	-72.6	0	0	0	0	112.9	Y3 V22 L23 V29 K51 D75 A77	Y3-C26 WeakPolarHBondContact CD2-SG 3.27Å; V22-C26 PolarHBondContact O-N 3.34Å; V22-C26 VanDerWaalsContact O-N 3.12Å; V22-C26 PolarHBondContact O-SG 3.06Å; L23-C26 PolarHBondContact O-N 3.49Å; C26-V29 HydrophobicContact CB-CG2 4.4Å; C26-K51 WeakPolarHBondContact O-CD 3.06Å; C26-K51 WeakPolarHBondContact O-CE 3.33Å; C26-K51 PolarHBondContact O-NZ 2.96Å; C26-D75 CarbonylContact C-O 3.49Å; C26-D75 WeakPolarHBondContact CA-O 3.18Å; C26-D75 HydrophobicContact CB-CB 4.46Å; C26-D75 WeakPolarHBondContact CB-O 3.49Å; C26-A77 HydrophobicContact CB-CB 4.18Å
27	D	94.2	Very high	88.9	Confident	87 Å²	87	43.7 Å²	43.7	47%	0.465	21%	0.213	S	C	.	.	S	Bend	trans	-75.6	-32.2	175.6	-53.3	-68.6	0	0	0	112	H74 D75	D27-H74 HydrophobicContact CB-CB 4.03Å; D27-H74 WeakPolarHBondContact OD2-CA 3.2Å; D27-H74 WeakPolarHBondContact OD2-CB 3.49Å; D27-H74 IonicContact OD2-CD2 3.37Å; D27-H74 IonicContact OD2-CG 2.65Å; D27-D75 PolarHBondContact N-O 3.34Å; D27-D75 PolarHBondContact OD2-N 3.31Å
28	Y	94.5	Very high	87.6	Confident	73 Å²	73	39 Å²	39	29%	0.286	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.5	-179.3	-58	-75.8	0	0	0	111.2	R70 H74 D75 V76 A77	Y28-R70 HydrophobicContact CD2-CB 4.12Å; Y28-R70 HydrophobicContact CD2-CG 4.41Å; Y28-R70 HydrophobicContact CE2-CB 4.37Å; Y28-R70 HydrophobicContact CE2-CG 4.4Å; Y28-H74 HydrophobicContact CD2-CB 3.9Å; Y28-H74 HydrophobicContact CE2-CB 3.82Å; Y28-H74 AromaticContact CE2-CD2 3.82Å; Y28-H74 AromaticContact CE2-CG 3.57Å; Y28-H74 AromaticContact CE2-ND1 3.85Å; Y28-D75 PolarHBondContact N-O 3.19Å; Y28-V76 HydrophobicContact CD2-CG2 4.21Å; Y28-V76 CarbonylContact O-C 3.5Å; Y28-V76 WeakPolarHBondContact O-CA 3.34Å; Y28-A77 PolarHBondContact O-N 2.95Å
29	V	94.2	Very high	85.8	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.2	178.7	-173.8	0	0	0	0	108.8	L23 C26 I53 L54 A77 L79	L23-V29 HydrophobicContact CD2-CG1 3.98Å; L23-V29 HydrophobicContact CD2-CG2 4.33Å; C26-V29 HydrophobicContact CB-CG2 4.4Å; V29-I53 HydrophobicContact CB-CG1 4.21Å; V29-I53 HydrophobicContact CG1-CG1 3.89Å; V29-I53 HydrophobicContact CG1-CG2 4.34Å; V29-L54 PolarHBondContact O-N 3.37Å; V29-A77 CarbonylContact C-O 3.59Å; V29-A77 WeakPolarHBondContact CA-O 3.47Å; V29-A77 HydrophobicContact CG1-CB 4.31Å; V29-A77 HydrophobicContact CG2-CB 4.36Å; V29-L79 HydrophobicContact CG1-CD1 3.55Å; V29-L79 HydrophobicContact CG1-CD2 4.42Å; V29-L79 HydrophobicContact CG1-CG 3.82Å
30	Y	93.4	Very high	84	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.5	176.2	-67.1	-85.1	0	0	0	110	L54 F60 E66 I67 R70 V76 A77 L79	Y30-L54 CarbonylContact C-O 3.58Å; Y30-L54 VanDerWaalsContact CA-O 3.25Å; Y30-L54 WeakPolarHBondContact CA-O 3.07Å; Y30-L54 HydrophobicContact CD1-CB 3.78Å; Y30-L54 HydrophobicContact CD1-CD1 4.36Å; Y30-L54 HydrophobicContact CE1-CB 4Å; Y30-L54 HydrophobicContact CE1-CD1 3.8Å; Y30-F60 AromaticContact CD1-CE1 3.71Å; Y30-F60 HydrophobicContact CD1-CE1 3.71Å; Y30-F60 HydrophobicContact CD1-CZ 4.04Å; Y30-F60 AromaticContact CE1-CE1 3.66Å; Y30-F60 HydrophobicContact CE1-CE1 3.66Å; Y30-F60 AromaticContact CE1-CZ 3.49Å; Y30-F60 HydrophobicContact CE1-CZ 3.49Å; Y30-F60 VanDerWaalsContact CE1-CZ 3.49Å; Y30-E66 PolarHBondContact OH-OE1 3.32Å; Y30-I67 HydrophobicContact CD1-CG1 4.4Å; Y30-I67 HydrophobicContact CD2-CG1 3.95Å; Y30-I67 HydrophobicContact CE2-CG1 4.1Å; Y30-I67 HydrophobicContact CG-CD1 4.44Å; Y30-I67 HydrophobicContact CG-CG1 4.1Å; Y30-R70 WeakPolarHBondContact OH-CD 3.35Å; Y30-R70 PolarHBondContact OH-NE 3.13Å; Y30-R70 PolarHBondContact OH-NH1 2.85Å; Y30-V76 HydrophobicContact CD2-CG1 3.72Å; Y30-V76 HydrophobicContact CE2-CG1 3.79Å; Y30-A77 PolarHBondContact N-O 2.95Å; Y30-L79 WeakPolarHBondContact O-CB 3.29Å; Y30-L79 WeakPolarHBondContact O-CG 3.27Å; Y30-L79 PolarHBondContact O-N 3Å
31	L	91	Very high	82.5	Confident	11 Å²	11	48 Å²	48	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.5	175.5	174	77.6	0	0	0	110.5	L7 S33 F43 I53 L54 A56 L79	L7-L31 HydrophobicContact CD1-CD1 3.64Å; L31-S33 PolarHBondContact O-N 2.87Å; L31-S33 VanDerWaalsContact O-N 3.1Å; L31-F43 HydrophobicContact CB-CZ 4.35Å; L31-F43 HydrophobicContact CD1-CE1 4.16Å; L31-F43 HydrophobicContact CD1-CZ 3.62Å; L31-F43 HydrophobicContact CD2-CE1 4.18Å; L31-F43 HydrophobicContact CD2-CE2 3.44Å; L31-F43 VanDerWaalsContact CD2-CE2 3.44Å; L31-F43 HydrophobicContact CD2-CZ 3.13Å; L31-F43 HydrophobicContact CG-CZ 3.82Å; L31-I53 HydrophobicContact CB-CG2 3.68Å; L31-L54 PolarHBondContact N-O 3.39Å; L31-A56 WeakPolarHBondContact O-CA 3.33Å; L31-A56 WeakPolarHBondContact O-CB 3.28Å; L31-A56 PolarHBondContact O-N 2.83Å; L31-L79 HydrophobicContact CD1-CB 3.92Å; L31-L79 HydrophobicContact CD1-CD1 4.45Å
32	D	87.9	Confident	80.9	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	110.6	163.4	-178.3	-4.9	0	0	0	110.5	Y34 T35 F78 L79 V80 H90	D32-Y34 WeakPolarHBondContact OD1-CD1 3.38Å; D32-Y34 WeakPolarHBondContact OD1-CE1 3.3Å; D32-Y34 PolarHBondContact OD1-N 3.43Å; D32-Y34 VanDerWaalsContact OD1-N 3.07Å; D32-T35 PolarHBondContact OD1-N 3.4Å; D32-T35 PolarHBondContact OD1-OG1 2.9Å; D32-T35 VanDerWaalsContact OD2-CB 3.32Å; D32-T35 WeakPolarHBondContact OD2-CB 3.44Å; D32-T35 WeakPolarHBondContact OD2-CG2 3.48Å; D32-T35 PolarHBondContact OD2-OG1 2.92Å; D32-F78 HydrophobicContact CB-CE1 4.34Å; D32-F78 HydrophobicContact CB-CE2 4.19Å; D32-F78 HydrophobicContact CB-CZ 3.71Å; D32-L79 VanDerWaalsContact CB-O 3.3Å; D32-L79 WeakPolarHBondContact CB-O 3.15Å; D32-L79 PolarHBondContact N-O 3.15Å; D32-V80 HydrophobicContact CB-CG2 4.47Å; D32-H90 IonicContact OD2-CD2 3.83Å; D32-H90 IonicContact OD2-CE1 3.9Å; D32-H90 PolarHBondContact OD2-CE1 3.32Å; D32-H90 IonicContact OD2-NE2 3.59Å; D32-H90 PolarHBondContact OD2-NE2 3.06Å
33	S	80.4	Confident	79.5	Confident	29 Å²	29	45.8 Å²	45.8	20%	0.203	23%	0.234	C	C	.	.			trans	-103.9	6.4	-175	63.7	0	0	0	0	113.9	L31 A56	L31-S33 PolarHBondContact O-N 2.87Å; L31-S33 VanDerWaalsContact O-N 3.1Å; S33-A56 PolarHBondContact N-O 2.9Å; S33-A56 VanDerWaalsContact OG-C 3.26Å; S33-A56 PolarHBondContact OG-O 3.1Å
34	Y	76.6	Confident	78.1	Confident	8 Å²	8	54.5 Å²	54.5	3%	0.031	27%	0.271	C	S	.	.	S	Bend	trans	-121.9	-17.1	-174.6	73	-86.8	0	0	0	115.3	D32 D57 R58 V61	D32-Y34 WeakPolarHBondContact OD1-CD1 3.38Å; D32-Y34 WeakPolarHBondContact OD1-CE1 3.3Å; D32-Y34 PolarHBondContact OD1-N 3.43Å; D32-Y34 VanDerWaalsContact OD1-N 3.07Å; Y34-D57 VanDerWaalsContact CD1-C 3.46Å; Y34-R58 VanDerWaalsContact CD1-CA 3.48Å; Y34-R58 HydrophobicContact CD1-CB 3.96Å; Y34-R58 HydrophobicContact CD2-CB 3.76Å; Y34-R58 HydrophobicContact CD2-CG 4.09Å; Y34-R58 HydrophobicContact CE1-CB 4.18Å; Y34-R58 HydrophobicContact CE2-CB 3.96Å; Y34-R58 HydrophobicContact CE2-CG 3.85Å; Y34-R58 HydrophobicContact CG-CB 3.74Å; Y34-V61 HydrophobicContact CE1-CB 3.78Å; Y34-V61 HydrophobicContact CE1-CG1 4.2Å; Y34-V61 HydrophobicContact CE1-CG2 3.76Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.49Å
35	T	68.3	Low	76.9	Confident	42 Å²	42	56.5 Å²	56.5	26%	0.258	29%	0.29	S	S	.	.	S	Bend	trans	-85.6	-14.9	-178.1	56.4	0	0	0	0	114.7	D32	D32-T35 PolarHBondContact OD1-N 3.4Å; D32-T35 PolarHBondContact OD1-OG1 2.9Å; D32-T35 VanDerWaalsContact OD2-CB 3.32Å; D32-T35 WeakPolarHBondContact OD2-CB 3.44Å; D32-T35 WeakPolarHBondContact OD2-CG2 3.48Å; D32-T35 PolarHBondContact OD2-OG1 2.92Å
36	S	70.3	Confident	76	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	28%	0.278	C	S	.	.	S	Bend	trans	-160.2	175.3	175.1	-166.1	0	0	0	0	111.9
37	I	73.1	Confident	75.1	Confident	66 Å²	66	58.6 Å²	58.6	34%	0.338	31%	0.305	S	S	.	.			trans	-84.7	118.8	172.3	-55	-177.1	0	0	0	108.3	F186 P259	I37-F186 HydrophobicContact CD1-CD1 3.72Å; I37-F186 HydrophobicContact CD1-CD2 4.09Å; I37-F186 HydrophobicContact CD1-CE1 3.41Å; I37-F186 VanDerWaalsContact CD1-CE1 3.41Å; I37-F186 HydrophobicContact CD1-CE2 3.8Å; I37-F186 HydrophobicContact CD1-CG 4.07Å; I37-F186 HydrophobicContact CD1-CZ 3.46Å; I37-F186 VanDerWaalsContact CD1-CZ 3.46Å; I37-F186 HydrophobicContact CG1-CD1 3.89Å; I37-F186 HydrophobicContact CG1-CE1 3.16Å; I37-F186 HydrophobicContact CG1-CE2 4.22Å; I37-F186 HydrophobicContact CG1-CZ 3.37Å; I37-P259 HydrophobicContact CD1-CB 3.63Å; I37-P259 HydrophobicContact CD1-CG 3.58Å
38	F	67.9	Low	74.5	Confident	39 Å²	39	54.7 Å²	54.7	17%	0.171	28%	0.284	C	S	.	.			trans	-137.1	123.2	164.9	-148.8	-77.4	0	0	0	109	F12 F43 V81	F12-F38 HydrophobicContact CD2-CD1 4.35Å; F12-F38 AromaticContact CD2-CE1 3.25Å; F12-F38 HydrophobicContact CD2-CE1 3.25Å; F12-F38 AromaticContact CD2-CZ 3.51Å; F12-F38 HydrophobicContact CD2-CZ 3.51Å; F12-F38 AromaticContact CE2-CD1 3.68Å; F12-F38 HydrophobicContact CE2-CD1 3.68Å; F12-F38 AromaticContact CE2-CE1 2.97Å; F12-F38 HydrophobicContact CE2-CE1 2.97Å; F12-F38 AromaticContact CE2-CZ 3.53Å; F12-F38 HydrophobicContact CE2-CZ 3.53Å; F12-F38 HydrophobicContact CG-CE1 4.22Å; F12-F38 HydrophobicContact CG-CZ 4.04Å; F12-F38 HydrophobicContact CZ-CD1 4.23Å; F12-F38 AromaticContact CZ-CE1 3.73Å; F12-F38 HydrophobicContact CZ-CE1 3.73Å; F12-F38 HydrophobicContact CZ-CZ 4.01Å; F38-F43 HydrophobicContact CD1-CZ 4.41Å; F38-V81 HydrophobicContact CB-CG2 3.9Å; F38-V81 HydrophobicContact CD2-CG1 4.37Å; F38-V81 HydrophobicContact CD2-CG2 3.85Å; F38-V81 HydrophobicContact CG-CG2 4.23Å
39	S	58.9	Low	73.7	Confident	72 Å²	72	56 Å²	56	50%	0.503	30%	0.296	S	S	.	.			trans	-74.7	130.3	-179.2	58.8	0	0	0	0	110.6	E41 G42	S39-E41 PolarHBondContact O-N 3.4Å; S39-G42 PolarHBondContact O-N 3.26Å; S39-G42 VanDerWaalsContact O-N 3.08Å
40	E	57.9	Low	72.6	Confident	138 Å²	138	59.6 Å²	59.6	65%	0.645	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24.1	177.8	-74.2	-176.8	-179.7	0	0	113.6	G42 F43	E40-G42 PolarHBondContact O-N 3.12Å; E40-F43 HydrophobicContact CB-CD2 4.24Å; E40-F43 HydrophobicContact CG-CD2 4.45Å; E40-F43 WeakPolarHBondContact O-CB 3.34Å; E40-F43 VanDerWaalsContact O-CD2 3.32Å; E40-F43 WeakPolarHBondContact O-CD2 3.49Å; E40-F43 PolarHBondContact O-N 3.39Å
41	E	60.9	Low	72	Confident	149 Å²	149	62.3 Å²	62.3	70%	0.696	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-58.6	-30	178.1	-63.9	-174.2	163.7	0	0	112.7	S39 F43 K44	S39-E41 PolarHBondContact O-N 3.4Å; E41-F43 PolarHBondContact O-N 3.47Å; E41-K44 PolarHBondContact O-N 2.7Å
42	G	60.9	Low	71.5	Confident	18 Å²	18	66.1 Å²	66.1	19%	0.186	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.9	175.4	0	0	0	0	0	113.7	F12 S39 E40 K44 T45	F12-G42 VanDerWaalsContact CD2-C 3.46Å; F12-G42 VanDerWaalsContact CD2-O 3.27Å; F12-G42 WeakPolarHBondContact CD2-O 3.31Å; S39-G42 PolarHBondContact O-N 3.26Å; S39-G42 VanDerWaalsContact O-N 3.08Å; E40-G42 PolarHBondContact O-N 3.12Å; G42-K44 VanDerWaalsContact C-N 3.33Å; G42-K44 PolarHBondContact O-N 2.82Å; G42-T45 PolarHBondContact O-OG1 3.19Å
43	F	65.2	Low	71.5	Confident	34 Å²	34	67.3 Å²	67.3	15%	0.149	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-72.4	-28.3	178.3	-66.6	-66.2	0	0	0	113	F12 L31 F38 E40 E41 T45 L46 I53	F12-F43 HydrophobicContact CD2-CD1 4.36Å; F12-F43 HydrophobicContact CE1-CD1 4.25Å; F12-F43 AromaticContact CE1-CE1 3.9Å; F12-F43 HydrophobicContact CE1-CE1 3.9Å; F12-F43 AromaticContact CE2-CD1 3.34Å; F12-F43 HydrophobicContact CE2-CD1 3.34Å; F12-F43 HydrophobicContact CE2-CD2 4.38Å; F12-F43 AromaticContact CE2-CE1 3.28Å; F12-F43 HydrophobicContact CE2-CE1 3.28Å; F12-F43 HydrophobicContact CE2-CE2 4.18Å; F12-F43 AromaticContact CE2-CG 3.94Å; F12-F43 HydrophobicContact CE2-CG 3.94Å; F12-F43 AromaticContact CE2-CZ 3.59Å; F12-F43 HydrophobicContact CE2-CZ 3.59Å; F12-F43 AromaticContact CZ-CD1 3.39Å; F12-F43 HydrophobicContact CZ-CD1 3.39Å; F12-F43 AromaticContact CZ-CE1 2.91Å; F12-F43 HydrophobicContact CZ-CE1 2.91Å; F12-F43 HydrophobicContact CZ-CE2 4.43Å; F12-F43 HydrophobicContact CZ-CG 4.38Å; F12-F43 AromaticContact CZ-CZ 3.43Å; F12-F43 HydrophobicContact CZ-CZ 3.43Å; F12-F43 VanDerWaalsContact CZ-CZ 3.43Å; L31-F43 HydrophobicContact CB-CZ 4.35Å; L31-F43 HydrophobicContact CD1-CE1 4.16Å; L31-F43 HydrophobicContact CD1-CZ 3.62Å; L31-F43 HydrophobicContact CD2-CE1 4.18Å; L31-F43 HydrophobicContact CD2-CE2 3.44Å; L31-F43 VanDerWaalsContact CD2-CE2 3.44Å; L31-F43 HydrophobicContact CD2-CZ 3.13Å; L31-F43 HydrophobicContact CG-CZ 3.82Å; F38-F43 HydrophobicContact CD1-CZ 4.41Å; E40-F43 HydrophobicContact CB-CD2 4.24Å; E40-F43 HydrophobicContact CG-CD2 4.45Å; E40-F43 WeakPolarHBondContact O-CB 3.34Å; E40-F43 VanDerWaalsContact O-CD2 3.32Å; E40-F43 WeakPolarHBondContact O-CD2 3.49Å; E40-F43 PolarHBondContact O-N 3.39Å; E41-F43 PolarHBondContact O-N 3.47Å; F43-T45 PolarHBondContact O-N 3.24Å; F43-T45 VanDerWaalsContact O-N 3.15Å; F43-L46 PolarHBondContact O-N 3.48Å; F43-L46 VanDerWaalsContact O-N 3.17Å; F43-I53 HydrophobicContact CB-CD1 4.48Å; F43-I53 HydrophobicContact CD1-CB 4.29Å; F43-I53 HydrophobicContact CD1-CD1 3.16Å; F43-I53 HydrophobicContact CD1-CG1 4.29Å; F43-I53 HydrophobicContact CD1-CG2 4.22Å; F43-I53 HydrophobicContact CE1-CB 4.37Å; F43-I53 HydrophobicContact CE1-CD1 3.58Å; F43-I53 HydrophobicContact CE1-CG2 3.8Å; F43-I53 HydrophobicContact CG-CD1 4.11Å; F43-I53 HydrophobicContact CZ-CG2 4.36Å
44	K	64.7	Low	71.9	Confident	183 Å²	183	68.4 Å²	68.4	80%	0.796	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.1	-176.7	-68.2	-179.3	-179.9	170.7	0	112.6	E41 G42	E41-K44 PolarHBondContact O-N 2.7Å; G42-K44 VanDerWaalsContact C-N 3.33Å; G42-K44 PolarHBondContact O-N 2.82Å
45	T	66.9	Low	72.5	Confident	116 Å²	116	71.8 Å²	71.8	71%	0.712	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-88.5	-14.3	-179.3	55.3	0	0	0	0	113.6	G42 F43 D47	G42-T45 PolarHBondContact O-OG1 3.19Å; F43-T45 PolarHBondContact O-N 3.24Å; F43-T45 VanDerWaalsContact O-N 3.15Å; T45-D47 PolarHBondContact O-N 3.39Å
46	L	72.9	Confident	73.4	Confident	30 Å²	30	69.8 Å²	69.8	16%	0.157	39%	0.392	C	S	.	.			trans	-90.3	105.1	-174.9	-161.8	75.4	0	0	0	110.6	F12 L15 Y20 L23 F43 I48	F12-L46 HydrophobicContact CD1-CD2 4.16Å; F12-L46 HydrophobicContact CE1-CD2 4.44Å; L15-L46 HydrophobicContact CD2-CD1 4.31Å; L15-L46 HydrophobicContact CD2-CD2 4.28Å; Y20-L46 HydrophobicContact CD2-CD1 3.83Å; Y20-L46 HydrophobicContact CD2-CG 4.39Å; Y20-L46 HydrophobicContact CE2-CD1 3.82Å; Y20-L46 HydrophobicContact CE2-CG 4.19Å; L23-L46 HydrophobicContact CD1-CD2 3.98Å; F43-L46 PolarHBondContact O-N 3.48Å; F43-L46 VanDerWaalsContact O-N 3.17Å; L46-I48 HydrophobicContact CD2-CG2 3.57Å; L46-I48 HydrophobicContact CG-CG2 3.82Å; L46-I48 PolarHBondContact O-N 2.68Å
47	D	76.5	Confident	74.2	Confident	106 Å²	106	70.9 Å²	70.9	57%	0.567	40%	0.396	S	S	*	.			trans	-76.8	94.6	172	-173.4	13.7	0	0	0	110.4	Y20 T45 D49	Y20-D47 WeakPolarHBondContact CE2-O 3.42Å; Y20-D47 PolarHBondContact OH-O 3.38Å; T45-D47 PolarHBondContact O-N 3.39Å; D47-D49 PolarHBondContact OD1-N 3.49Å
48	I	81.3	Confident	74.8	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	40%	0.396	C	S	.	.	S	Bend	trans	-106.4	42.2	172.9	52.8	168.9	0	0	0	111.2	L23 L46 G50 K51 I53	L23-I48 HydrophobicContact CB-CG2 3.82Å; L23-I48 HydrophobicContact CD1-CG2 4.39Å; L46-I48 HydrophobicContact CD2-CG2 3.57Å; L46-I48 HydrophobicContact CG-CG2 3.82Å; L46-I48 PolarHBondContact O-N 2.68Å; I48-G50 VanDerWaalsContact C-N 3.29Å; I48-G50 PolarHBondContact O-N 2.91Å; I48-K51 HydrophobicContact CD1-CB 3.92Å; I48-K51 WeakPolarHBondContact CD1-O 3.47Å; I48-K51 HydrophobicContact CG1-CB 4.14Å; I48-K51 WeakPolarHBondContact O-CB 3.48Å; I48-K51 WeakPolarHBondContact O-CG 3.4Å; I48-K51 PolarHBondContact O-N 2.71Å; I48-I53 HydrophobicContact CD1-CD1 3.69Å; I48-I53 HydrophobicContact CD1-CG1 3.6Å
49	D	77.8	Confident	75.6	Confident	100 Å²	100	72.7 Å²	72.7	54%	0.535	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	39	177.4	-55.1	-44.2	0	0	0	112.7	D47 K51	D47-D49 PolarHBondContact OD1-N 3.49Å; D49-K51 VanDerWaalsContact C-N 3.27Å; D49-K51 PolarHBondContact O-N 2.69Å
50	G	71.1	Confident	77.1	Confident	78 Å²	78	71.4 Å²	71.4	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	8.9	177.5	0	0	0	0	0	115.6	I48	I48-G50 VanDerWaalsContact C-N 3.29Å; I48-G50 PolarHBondContact O-N 2.91Å
51	K	80.8	Confident	78.6	Confident	58 Å²	58	65 Å²	65	25%	0.252	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.9	140.7	177.8	-66.1	173.7	-166.3	169.9	0	111.6	L23 K24 C26 I48 D49	L23-K51 PolarHBondContact O-NZ 2.76Å; L23-K51 VanDerWaalsContact O-NZ 3.12Å; K24-K51 PolarHBondContact O-NZ 2.81Å; C26-K51 WeakPolarHBondContact O-CD 3.06Å; C26-K51 WeakPolarHBondContact O-CE 3.33Å; C26-K51 PolarHBondContact O-NZ 2.96Å; I48-K51 HydrophobicContact CD1-CB 3.92Å; I48-K51 WeakPolarHBondContact CD1-O 3.47Å; I48-K51 HydrophobicContact CG1-CB 4.14Å; I48-K51 WeakPolarHBondContact O-CB 3.48Å; I48-K51 WeakPolarHBondContact O-CG 3.4Å; I48-K51 PolarHBondContact O-N 2.71Å; D49-K51 VanDerWaalsContact C-N 3.27Å; D49-K51 PolarHBondContact O-N 2.69Å
52	C	82.3	Confident	79.8	Confident	91 Å²	91	62.5 Å²	62.5	62%	0.615	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-82.4	134.6	174.9	-170.3	0	0	0	0	110
53	I	87.4	Confident	81	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.138	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118	171	-63.5	169.5	0	0	0	107.4	V29 L31 F43 I48 L79	V29-I53 HydrophobicContact CB-CG1 4.21Å; V29-I53 HydrophobicContact CG1-CG1 3.89Å; V29-I53 HydrophobicContact CG1-CG2 4.34Å; L31-I53 HydrophobicContact CB-CG2 3.68Å; F43-I53 HydrophobicContact CB-CD1 4.48Å; F43-I53 HydrophobicContact CD1-CB 4.29Å; F43-I53 HydrophobicContact CD1-CD1 3.16Å; F43-I53 HydrophobicContact CD1-CG1 4.29Å; F43-I53 HydrophobicContact CD1-CG2 4.22Å; F43-I53 HydrophobicContact CE1-CB 4.37Å; F43-I53 HydrophobicContact CE1-CD1 3.58Å; F43-I53 HydrophobicContact CE1-CG2 3.8Å; F43-I53 HydrophobicContact CG-CD1 4.11Å; F43-I53 HydrophobicContact CZ-CG2 4.36Å; I48-I53 HydrophobicContact CD1-CD1 3.69Å; I48-I53 HydrophobicContact CD1-CG1 3.6Å; I53-L79 HydrophobicContact CD1-CD1 4.4Å; I53-L79 HydrophobicContact CG2-CD1 4.27Å
54	L	88.4	Confident	82.1	Confident	53 Å²	53	68.3 Å²	68.3	28%	0.277	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.2	-175.6	-59.3	175.7	0	0	0	109.4	V29 Y30 L31 A56	V29-L54 PolarHBondContact O-N 3.37Å; Y30-L54 CarbonylContact C-O 3.58Å; Y30-L54 VanDerWaalsContact CA-O 3.25Å; Y30-L54 WeakPolarHBondContact CA-O 3.07Å; Y30-L54 HydrophobicContact CD1-CB 3.78Å; Y30-L54 HydrophobicContact CD1-CD1 4.36Å; Y30-L54 HydrophobicContact CE1-CB 4Å; Y30-L54 HydrophobicContact CE1-CD1 3.8Å; L31-L54 PolarHBondContact N-O 3.39Å; L54-A56 PolarHBondContact O-N 3.42Å
55	P	88.1	Confident	83.4	Confident	78 Å²	78	62.7 Å²	62.7	51%	0.506	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.6	175.5	28	-33.6	0	0	0	110.2
56	A	89	Confident	84.7	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.9	175.8	0	0	0	0	0	107.9	L31 S33 L54 F60 V61 F78	L31-A56 WeakPolarHBondContact O-CA 3.33Å; L31-A56 WeakPolarHBondContact O-CB 3.28Å; L31-A56 PolarHBondContact O-N 2.83Å; S33-A56 PolarHBondContact N-O 2.9Å; S33-A56 VanDerWaalsContact OG-C 3.26Å; S33-A56 PolarHBondContact OG-O 3.1Å; L54-A56 PolarHBondContact O-N 3.42Å; A56-F60 HydrophobicContact CB-CD1 3.55Å; A56-F60 HydrophobicContact CB-CE1 4.08Å; A56-F60 HydrophobicContact CB-CG 4.41Å; A56-V61 HydrophobicContact CB-CG2 3.75Å; A56-F78 HydrophobicContact CB-CE2 4.21Å
57	D	86.2	Confident	85.7	Confident	47 Å²	47	59 Å²	59	25%	0.251	33%	0.328	S	S	.	.			trans	-83.8	179	174	63.3	20.8	0	0	0	111	Y34 E59 F60 V61	Y34-D57 VanDerWaalsContact CD1-C 3.46Å; D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.05Å; D57-E59 PolarHBondContact OD1-N 2.91Å; D57-F60 PolarHBondContact O-N 3.32Å; D57-F60 VanDerWaalsContact OD1-CB 3.29Å; D57-F60 WeakPolarHBondContact OD1-CB 3.48Å; D57-F60 PolarHBondContact OD1-N 2.86Å; D57-V61 WeakPolarHBondContact O-CG2 3.3Å; D57-V61 PolarHBondContact O-N 3.48Å
58	R	86.2	Confident	86.6	Confident	85 Å²	85	54.2 Å²	54.2	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-44.3	-178.3	-174.1	177.2	-71	166.3	5.7	111.9	Y34 F60 V61 E62 E168	Y34-R58 VanDerWaalsContact CD1-CA 3.48Å; Y34-R58 HydrophobicContact CD1-CB 3.96Å; Y34-R58 HydrophobicContact CD2-CB 3.76Å; Y34-R58 HydrophobicContact CD2-CG 4.09Å; Y34-R58 HydrophobicContact CE1-CB 4.18Å; Y34-R58 HydrophobicContact CE2-CB 3.96Å; Y34-R58 HydrophobicContact CE2-CG 3.85Å; Y34-R58 HydrophobicContact CG-CB 3.74Å; R58-F60 VanDerWaalsContact C-N 3.35Å; R58-F60 PolarHBondContact O-N 2.97Å; R58-V61 PolarHBondContact O-N 3.17Å; R58-E62 WeakPolarHBondContact CD-OE1 3.34Å; R58-E62 HydrophobicContact CG-CG 4.05Å; R58-E62 VanDerWaalsContact CG-OE1 3.27Å; R58-E62 WeakPolarHBondContact CG-OE1 3.49Å; R58-E62 IonicContact NE-OE1 3.61Å; R58-E62 WeakPolarHBondContact O-CB 3.38Å; R58-E62 WeakPolarHBondContact O-CG 3.39Å; R58-E62 PolarHBondContact O-N 2.69Å; R58-E168 IonicContact CZ-OE1 2.62Å; R58-E168 IonicContact NE-OE1 3.97Å; R58-E168 VanDerWaalsContact NH1-CD 3.32Å; R58-E168 IonicContact NH1-OE1 3.23Å; R58-E168 PolarHBondContact NH1-OE1 3.07Å; R58-E168 IonicContact NH1-OE2 3.79Å; R58-E168 IonicContact NH2-OE1 3.01Å; R58-E168 PolarHBondContact NH2-OE1 2.96Å
59	E	85	Confident	87.3	Confident	59 Å²	59	57 Å²	57	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-44.4	-179.4	-168.6	177.8	160	0	0	110.5	D57 Q63 Y181	D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.05Å; D57-E59 PolarHBondContact OD1-N 2.91Å; E59-Q63 HydrophobicContact CG-CG 4.44Å; E59-Q63 WeakPolarHBondContact O-CA 3.34Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 2.95Å; E59-Y181 PolarHBondContact OE2-OH 3.4Å
60	F	89.7	Confident	88.2	Confident	45 Å²	45	55.5 Å²	55.5	20%	0.197	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-46.8	175.8	-173.3	-91.7	0	0	0	111.8	Y30 A56 D57 R58 S64 E66 I67	Y30-F60 AromaticContact CD1-CE1 3.71Å; Y30-F60 HydrophobicContact CD1-CE1 3.71Å; Y30-F60 HydrophobicContact CD1-CZ 4.04Å; Y30-F60 AromaticContact CE1-CE1 3.66Å; Y30-F60 HydrophobicContact CE1-CE1 3.66Å; Y30-F60 AromaticContact CE1-CZ 3.49Å; Y30-F60 HydrophobicContact CE1-CZ 3.49Å; Y30-F60 VanDerWaalsContact CE1-CZ 3.49Å; A56-F60 HydrophobicContact CB-CD1 3.55Å; A56-F60 HydrophobicContact CB-CE1 4.08Å; A56-F60 HydrophobicContact CB-CG 4.41Å; D57-F60 PolarHBondContact O-N 3.32Å; D57-F60 VanDerWaalsContact OD1-CB 3.29Å; D57-F60 WeakPolarHBondContact OD1-CB 3.48Å; D57-F60 PolarHBondContact OD1-N 2.86Å; R58-F60 VanDerWaalsContact C-N 3.35Å; R58-F60 PolarHBondContact O-N 2.97Å; F60-S64 WeakPolarHBondContact O-CA 3.42Å; F60-S64 WeakPolarHBondContact O-CB 3.49Å; F60-S64 PolarHBondContact O-N 3.17Å; F60-E66 HydrophobicContact CE2-CB 4.06Å; F60-E66 WeakPolarHBondContact CE2-OE2 3.49Å; F60-E66 HydrophobicContact CZ-CB 3.78Å; F60-E66 HydrophobicContact CZ-CG 4.15Å; F60-I67 HydrophobicContact CD1-CD1 4.29Å; F60-I67 HydrophobicContact CE1-CD1 3.87Å; F60-I67 HydrophobicContact CE1-CG1 3.7Å; F60-I67 HydrophobicContact CZ-CG1 4.42Å
61	V	89.2	Confident	89.4	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-46.3	-178.3	170.7	0	0	0	0	111.6	Y34 A56 D57 R58 F78 I93 R96	Y34-V61 HydrophobicContact CE1-CB 3.78Å; Y34-V61 HydrophobicContact CE1-CG1 4.2Å; Y34-V61 HydrophobicContact CE1-CG2 3.76Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.49Å; A56-V61 HydrophobicContact CB-CG2 3.75Å; D57-V61 WeakPolarHBondContact O-CG2 3.3Å; D57-V61 PolarHBondContact O-N 3.48Å; R58-V61 PolarHBondContact O-N 3.17Å; V61-F78 HydrophobicContact CG1-CZ 4.14Å; V61-F78 HydrophobicContact CG2-CE2 3.66Å; V61-F78 HydrophobicContact CG2-CZ 3.68Å; V61-I93 HydrophobicContact CG1-CD1 3.86Å; V61-I93 HydrophobicContact CG1-CG1 4.4Å; V61-R96 VanDerWaalsContact O-CZ 3.3Å; V61-R96 PolarHBondContact O-NH1 2.88Å; V61-R96 PolarHBondContact O-NH2 3.01Å
62	E	86.8	Confident	90.1	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-81.8	-31.5	-173.5	-65.6	-179.9	-179.6	0	0	113.2	R58	R58-E62 WeakPolarHBondContact CD-OE1 3.34Å; R58-E62 HydrophobicContact CG-CG 4.05Å; R58-E62 VanDerWaalsContact CG-OE1 3.27Å; R58-E62 WeakPolarHBondContact CG-OE1 3.49Å; R58-E62 IonicContact NE-OE1 3.61Å; R58-E62 WeakPolarHBondContact O-CB 3.38Å; R58-E62 WeakPolarHBondContact O-CG 3.39Å; R58-E62 PolarHBondContact O-N 2.69Å
63	Q	85.6	Confident	90.7	Very high	143 Å²	143	56.2 Å²	56.2	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-112	-28	-171.7	-51.6	-177.3	-1.5	0	0	114.1	E59	E59-Q63 HydrophobicContact CG-CG 4.44Å; E59-Q63 WeakPolarHBondContact O-CA 3.34Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 2.95Å
64	S	88.3	Confident	91.2	Very high	32 Å²	32	58.1 Å²	58.1	22%	0.224	29%	0.29	C	S	.	.			trans	-75.3	141.4	-179.9	-167.9	0	0	0	0	111.4	F60 E66 R96	F60-S64 WeakPolarHBondContact O-CA 3.42Å; F60-S64 WeakPolarHBondContact O-CB 3.49Å; F60-S64 PolarHBondContact O-N 3.17Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 VanDerWaalsContact OG-CB 3.25Å; S64-E66 WeakPolarHBondContact OG-CB 3.29Å; S64-E66 PolarHBondContact OG-N 3.22Å; S64-E66 VanDerWaalsContact OG-N 3.11Å; S64-R96 PolarHBondContact O-NH1 2.97Å; S64-R96 VanDerWaalsContact O-NH1 3.1Å
65	S	91.4	Very high	91.6	Very high	64 Å²	64	58 Å²	58	45%	0.448	29%	0.29	S	S	.	.			trans	-89	-3	167.1	63.5	0	0	0	0	112.6	I67 I68 D69	S65-I67 PolarHBondContact O-N 2.98Å; S65-I68 CarbonylContact O-C 3.02Å; S65-I68 WeakPolarHBondContact O-CA 3.22Å; S65-I68 WeakPolarHBondContact O-CB 3.27Å; S65-I68 PolarHBondContact O-N 3.06Å; S65-D69 VanDerWaalsContact CB-OD2 3.26Å; S65-D69 WeakPolarHBondContact CB-OD2 3.27Å; S65-D69 WeakPolarHBondContact O-CB 3.41Å; S65-D69 PolarHBondContact O-N 3.48Å; S65-D69 PolarHBondContact OG-OD2 3.31Å
66	E	94.2	Very high	92	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-44.3	-166.1	-171.6	-179.3	136.9	0	0	113.8	Y30 F60 S64 I68 D69 R70	Y30-E66 PolarHBondContact OH-OE1 3.32Å; F60-E66 HydrophobicContact CE2-CB 4.06Å; F60-E66 WeakPolarHBondContact CE2-OE2 3.49Å; F60-E66 HydrophobicContact CZ-CB 3.78Å; F60-E66 HydrophobicContact CZ-CG 4.15Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 VanDerWaalsContact OG-CB 3.25Å; S64-E66 WeakPolarHBondContact OG-CB 3.29Å; S64-E66 PolarHBondContact OG-N 3.22Å; S64-E66 VanDerWaalsContact OG-N 3.11Å; E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.03Å; E66-D69 PolarHBondContact O-N 2.94Å; E66-R70 HydrophobicContact CG-CG 4.37Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 2.78Å; E66-R70 IonicContact OE1-CZ 3.1Å; E66-R70 IonicContact OE1-NE 2.78Å; E66-R70 PolarHBondContact OE1-NE 3.12Å; E66-R70 IonicContact OE1-NH1 2.72Å; E66-R70 IonicContact OE1-NH2 3.35Å; E66-R70 PolarHBondContact OE1-NH2 2.77Å
67	I	94.9	Very high	92.4	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-46.2	176.7	-64.1	174.3	0	0	0	109.9	L2 Y30 F60 S65 A71 V76 F78	L2-I67 HydrophobicContact CD1-CG2 3.7Å; Y30-I67 HydrophobicContact CD1-CG1 4.4Å; Y30-I67 HydrophobicContact CD2-CG1 3.95Å; Y30-I67 HydrophobicContact CE2-CG1 4.1Å; Y30-I67 HydrophobicContact CG-CD1 4.44Å; Y30-I67 HydrophobicContact CG-CG1 4.1Å; F60-I67 HydrophobicContact CD1-CD1 4.29Å; F60-I67 HydrophobicContact CE1-CD1 3.87Å; F60-I67 HydrophobicContact CE1-CG1 3.7Å; F60-I67 HydrophobicContact CZ-CG1 4.42Å; S65-I67 PolarHBondContact O-N 2.98Å; I67-A71 VanDerWaalsContact O-CB 3.3Å; I67-A71 WeakPolarHBondContact O-CB 3.45Å; I67-A71 PolarHBondContact O-N 2.82Å; I67-A71 VanDerWaalsContact O-N 3.15Å; I67-V76 HydrophobicContact CG2-CG1 4.14Å; I67-F78 HydrophobicContact CD1-CD2 3.69Å; I67-F78 HydrophobicContact CD1-CE2 3.92Å
68	I	95.8	Very high	92.9	Very high	7 Å²	7	52 Å²	52	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-44.1	-179	-56	-58.2	0	0	0	110.5	L2 S65 E66 A71 K72 I93 R96 A97 K100 I102	L2-I68 HydrophobicContact CD2-CD1 4.16Å; S65-I68 CarbonylContact O-C 3.02Å; S65-I68 WeakPolarHBondContact O-CA 3.22Å; S65-I68 WeakPolarHBondContact O-CB 3.27Å; S65-I68 PolarHBondContact O-N 3.06Å; E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.03Å; I68-A71 PolarHBondContact O-N 3.04Å; I68-K72 PolarHBondContact O-N 3.27Å; I68-I93 HydrophobicContact CD1-CG2 4.17Å; I68-R96 HydrophobicContact CD1-CB 3.97Å; I68-R96 HydrophobicContact CG1-CB 4Å; I68-A97 HydrophobicContact CD1-CB 4.19Å; I68-K100 HydrophobicContact CG2-CB 4.1Å; I68-K100 HydrophobicContact CG2-CG 3.73Å; I68-I102 HydrophobicContact CG2-CD1 3.65Å; I68-I102 WeakPolarHBondContact O-CD1 3.44Å
69	D	95.4	Very high	93.2	Very high	63 Å²	63	48 Å²	48	34%	0.337	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-40.1	-178.9	-74.9	-36	0	0	0	112.4	S65 E66 K72	S65-D69 VanDerWaalsContact CB-OD2 3.26Å; S65-D69 WeakPolarHBondContact CB-OD2 3.27Å; S65-D69 WeakPolarHBondContact O-CB 3.41Å; S65-D69 PolarHBondContact O-N 3.48Å; S65-D69 PolarHBondContact OG-OD2 3.31Å; E66-D69 PolarHBondContact O-N 2.94Å; D69-K72 WeakPolarHBondContact O-CB 3.31Å; D69-K72 PolarHBondContact O-N 3.41Å; D69-K72 IonicContact OD1-NZ 2.69Å; D69-K72 PolarHBondContact OD1-NZ 3.13Å
70	R	96.1	Very high	93.6	Very high	68 Å²	68	45.1 Å²	45.1	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-39.7	174.4	-69.3	-166.6	-171.1	-179.4	3.4	111.6	Y28 Y30 E66 K72 N73 H74 V76	Y28-R70 HydrophobicContact CD2-CB 4.12Å; Y28-R70 HydrophobicContact CD2-CG 4.41Å; Y28-R70 HydrophobicContact CE2-CB 4.37Å; Y28-R70 HydrophobicContact CE2-CG 4.4Å; Y30-R70 WeakPolarHBondContact OH-CD 3.35Å; Y30-R70 PolarHBondContact OH-NE 3.13Å; Y30-R70 PolarHBondContact OH-NH1 2.85Å; E66-R70 HydrophobicContact CG-CG 4.37Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 2.78Å; E66-R70 IonicContact OE1-CZ 3.1Å; E66-R70 IonicContact OE1-NE 2.78Å; E66-R70 PolarHBondContact OE1-NE 3.12Å; E66-R70 IonicContact OE1-NH1 2.72Å; E66-R70 IonicContact OE1-NH2 3.35Å; E66-R70 PolarHBondContact OE1-NH2 2.77Å; R70-K72 PolarHBondContact O-N 3.26Å; R70-K72 VanDerWaalsContact O-N 3.11Å; R70-N73 PolarHBondContact O-N 2.75Å; R70-H74 WeakPolarHBondContact O-CB 3.35Å; R70-H74 PolarHBondContact O-N 3.1Å; R70-H74 PolarHBondContact O-ND1 2.84Å; R70-V76 HydrophobicContact CB-CG2 3.77Å
71	A	97.1	Very high	93.7	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-13.1	-178	0	0	0	0	0	114.5	M1 L2 I67 I68 N73 V76 I102	M1-A71 PolarHBondContact N-O 2.86Å; L2-A71 HydrophobicContact CB-CB 4.1Å; L2-A71 HydrophobicContact CD1-CB 4.48Å; I67-A71 VanDerWaalsContact O-CB 3.3Å; I67-A71 WeakPolarHBondContact O-CB 3.45Å; I67-A71 PolarHBondContact O-N 2.82Å; I67-A71 VanDerWaalsContact O-N 3.15Å; I68-A71 PolarHBondContact O-N 3.04Å; A71-N73 VanDerWaalsContact C-N 3.35Å; A71-V76 HydrophobicContact CB-CB 4.1Å; A71-V76 HydrophobicContact CB-CG2 3.89Å; A71-I102 HydrophobicContact CB-CD1 4.31Å; A71-I102 HydrophobicContact CB-CG2 3.84Å
72	K	95.4	Very high	93.9	Very high	100 Å²	100	43.7 Å²	43.7	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.4	171.6	-68.9	174	177	158.8	0	112.9	I68 D69 R70 I102	I68-K72 PolarHBondContact O-N 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.31Å; D69-K72 PolarHBondContact O-N 3.41Å; D69-K72 IonicContact OD1-NZ 2.69Å; D69-K72 PolarHBondContact OD1-NZ 3.13Å; R70-K72 PolarHBondContact O-N 3.26Å; R70-K72 VanDerWaalsContact O-N 3.11Å; K72-I102 HydrophobicContact CG-CD1 3.73Å; K72-I102 HydrophobicContact CG-CG1 4.16Å
73	N	95.6	Very high	94.4	Very high	139 Å²	139	40 Å²	40	74%	0.743	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-8.2	-171.3	-61.5	-44.2	0	0	0	113.4	R70 A71	R70-N73 PolarHBondContact O-N 2.75Å; A71-N73 VanDerWaalsContact C-N 3.35Å
74	H	96.8	Very high	94.8	Very high	67 Å²	67	33.1 Å²	33.1	31%	0.31	17%	0.172	S	C	.	.	S	Bend	trans	-136.1	164.7	-172.7	-59.3	91.5	0	0	0	111	M1 D27 Y28 R70	M1-H74 PolarHBondContact N-O 3.12Å; D27-H74 HydrophobicContact CB-CB 4.03Å; D27-H74 WeakPolarHBondContact OD2-CA 3.2Å; D27-H74 WeakPolarHBondContact OD2-CB 3.49Å; D27-H74 IonicContact OD2-CD2 3.37Å; D27-H74 IonicContact OD2-CG 2.65Å; Y28-H74 HydrophobicContact CD2-CB 3.9Å; Y28-H74 HydrophobicContact CE2-CB 3.82Å; Y28-H74 AromaticContact CE2-CD2 3.82Å; Y28-H74 AromaticContact CE2-CG 3.57Å; Y28-H74 AromaticContact CE2-ND1 3.85Å; R70-H74 WeakPolarHBondContact O-CB 3.35Å; R70-H74 PolarHBondContact O-N 3.1Å; R70-H74 PolarHBondContact O-ND1 2.84Å
75	D	97	Very high	95.1	Very high	50 Å²	50	34.9 Å²	34.9	27%	0.267	18%	0.179	S	C	.	.			trans	-87.2	117.2	169.2	-75.4	-12.8	0	0	0	109.7	M1 Y3 C26 D27 Y28	M1-D75 WeakPolarHBondContact CB-OD1 3.44Å; M1-D75 PolarHBondContact N-OD1 3.39Å; M1-D75 WeakPolarHBondContact O-CA 3.33Å; Y3-D75 HydrophobicContact CE2-CB 4.2Å; C26-D75 CarbonylContact C-O 3.49Å; C26-D75 WeakPolarHBondContact CA-O 3.18Å; C26-D75 HydrophobicContact CB-CB 4.46Å; C26-D75 WeakPolarHBondContact CB-O 3.49Å; D27-D75 PolarHBondContact N-O 3.34Å; D27-D75 PolarHBondContact OD2-N 3.31Å; Y28-D75 PolarHBondContact N-O 3.19Å
76	V	97.2	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	-174.7	-179.4	0	0	0	0	108.9	M1 L2 Y3 Y28 Y30 I67 R70 A71	M1-V76 PolarHBondContact O-N 3.24Å; L2-V76 CarbonylContact C-O 3.54Å; L2-V76 HydrophobicContact CD1-CB 4.2Å; L2-V76 HydrophobicContact CD1-CG1 4.13Å; Y3-V76 PolarHBondContact N-O 3.1Å; Y28-V76 HydrophobicContact CD2-CG2 4.21Å; Y28-V76 CarbonylContact O-C 3.5Å; Y28-V76 WeakPolarHBondContact O-CA 3.34Å; Y30-V76 HydrophobicContact CD2-CG1 3.72Å; Y30-V76 HydrophobicContact CE2-CG1 3.79Å; I67-V76 HydrophobicContact CG2-CG1 4.14Å; R70-V76 HydrophobicContact CB-CG2 3.77Å; A71-V76 HydrophobicContact CB-CB 4.1Å; A71-V76 HydrophobicContact CB-CG2 3.89Å
77	A	96.7	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.8	169.7	0	0	0	0	0	110.6	Y3 L23 C26 Y28 V29 Y30	Y3-A77 CarbonylContact O-C 3.59Å; Y3-A77 WeakPolarHBondContact O-CA 3.3Å; L23-A77 HydrophobicContact CD2-CB 3.52Å; C26-A77 HydrophobicContact CB-CB 4.18Å; Y28-A77 PolarHBondContact O-N 2.95Å; V29-A77 CarbonylContact C-O 3.59Å; V29-A77 WeakPolarHBondContact CA-O 3.47Å; V29-A77 HydrophobicContact CG1-CB 4.31Å; V29-A77 HydrophobicContact CG2-CB 4.36Å; Y30-A77 PolarHBondContact N-O 2.95Å
78	F	95.9	Very high	94.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.8	170	-177.9	-110.7	0	0	0	108.3	Y3 L4 V5 D32 A56 V61 I67 V80 H90 I93	Y3-F78 PolarHBondContact O-N 3.41Å; L4-F78 WeakPolarHBondContact CA-O 3.34Å; V5-F78 PolarHBondContact N-O 3.48Å; D32-F78 HydrophobicContact CB-CE1 4.34Å; D32-F78 HydrophobicContact CB-CE2 4.19Å; D32-F78 HydrophobicContact CB-CZ 3.71Å; A56-F78 HydrophobicContact CB-CE2 4.21Å; V61-F78 HydrophobicContact CG1-CZ 4.14Å; V61-F78 HydrophobicContact CG2-CE2 3.66Å; V61-F78 HydrophobicContact CG2-CZ 3.68Å; I67-F78 HydrophobicContact CD1-CD2 3.69Å; I67-F78 HydrophobicContact CD1-CE2 3.92Å; F78-V80 HydrophobicContact CD1-CG2 3.72Å; F78-V80 HydrophobicContact CE1-CG2 3.53Å; F78-V80 HydrophobicContact CZ-CG2 4.45Å; F78-H90 AromaticContact CE1-CE1 3.63Å; F78-H90 AromaticContact CE1-CG 3.94Å; F78-H90 AromaticContact CE1-ND1 3.65Å; F78-H90 AromaticContact CE1-NE2 3.89Å; F78-H90 AromaticContact CZ-CE1 3.77Å; F78-I93 HydrophobicContact CD1-CD1 3.65Å; F78-I93 HydrophobicContact CE1-CD1 3.34Å; F78-I93 HydrophobicContact CE2-CD1 4.42Å; F78-I93 HydrophobicContact CG-CD1 4.3Å; F78-I93 HydrophobicContact CZ-CD1 3.77Å
79	L	94.1	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.1	-175.8	-57.4	179.5	0	0	0	110.1	V5 L7 L23 V29 Y30 L31 D32 I53	V5-L79 HydrophobicContact CB-CD2 3.76Å; V5-L79 HydrophobicContact CG1-CD2 4.07Å; V5-L79 HydrophobicContact CG2-CD2 4.43Å; V5-L79 WeakPolarHBondContact O-CA 3.32Å; L7-L79 HydrophobicContact CD1-CB 4.06Å; L7-L79 HydrophobicContact CD2-CB 4.04Å; L7-L79 HydrophobicContact CD2-CD1 4.2Å; L7-L79 HydrophobicContact CD2-CD2 3.84Å; L7-L79 HydrophobicContact CD2-CG 4.25Å; L7-L79 HydrophobicContact CG-CB 4.11Å; L23-L79 HydrophobicContact CD1-CD2 4.02Å; L23-L79 HydrophobicContact CD2-CD2 3.46Å; L23-L79 VanDerWaalsContact CD2-CD2 3.46Å; L23-L79 HydrophobicContact CD2-CG 4.37Å; L23-L79 HydrophobicContact CG-CD2 4.31Å; V29-L79 HydrophobicContact CG1-CD1 3.55Å; V29-L79 HydrophobicContact CG1-CD2 4.42Å; V29-L79 HydrophobicContact CG1-CG 3.82Å; Y30-L79 WeakPolarHBondContact O-CB 3.29Å; Y30-L79 WeakPolarHBondContact O-CG 3.27Å; Y30-L79 PolarHBondContact O-N 3Å; L31-L79 HydrophobicContact CD1-CB 3.92Å; L31-L79 HydrophobicContact CD1-CD1 4.45Å; D32-L79 VanDerWaalsContact CB-O 3.3Å; D32-L79 WeakPolarHBondContact CB-O 3.15Å; D32-L79 PolarHBondContact N-O 3.15Å; I53-L79 HydrophobicContact CD1-CD1 4.4Å; I53-L79 HydrophobicContact CG2-CD1 4.27Å
80	V	93.4	Very high	93.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.9	-179.7	-176	0	0	0	0	109.2	V5 G6 L7 D32 F78 G82 P84 T88	V5-V80 PolarHBondContact O-N 3.09Å; G6-V80 WeakPolarHBondContact CA-O 3.47Å; L7-V80 PolarHBondContact N-O 2.82Å; D32-V80 HydrophobicContact CB-CG2 4.47Å; F78-V80 HydrophobicContact CD1-CG2 3.72Å; F78-V80 HydrophobicContact CE1-CG2 3.53Å; F78-V80 HydrophobicContact CZ-CG2 4.45Å; V80-G82 PolarHBondContact O-N 3.01Å; V80-P84 HydrophobicContact CB-CB 4.44Å; V80-P84 HydrophobicContact CG2-CB 4.27Å; V80-T88 HydrophobicContact CG1-CG2 4.14Å
81	V	91.4	Very high	93.4	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.085	20%	0.198	C	C	.	.	S	Bend	trans	-66	131.9	172.9	-177.6	0	0	0	0	109.5	F38	F38-V81 HydrophobicContact CB-CG2 3.9Å; F38-V81 HydrophobicContact CD2-CG1 4.37Å; F38-V81 HydrophobicContact CD2-CG2 3.85Å; F38-V81 HydrophobicContact CG-CG2 4.23Å
82	G	93.7	Very high	93.2	Very high	4 Å²	4	37.6 Å²	37.6	4%	0.041	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	80.9	-131.9	-170.9	0	0	0	0	0	112.3	G6 L7 G8 V80 A110	G6-G82 CarbonylContact C-O 3.57Å; G6-G82 WeakPolarHBondContact CA-O 3.25Å; L7-G82 PolarHBondContact N-O 3.21Å; G8-G82 PolarHBondContact N-O 3.37Å; G8-G82 WeakPolarHBondContact O-CA 3Å; G8-G82 PolarHBondContact O-N 3.24Å; V80-G82 PolarHBondContact O-N 3.01Å; G82-A110 CarbonylContact C-O 3.42Å; G82-A110 WeakPolarHBondContact CA-O 3.31Å
83	D	95.4	Very high	93.1	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.091	20%	0.195	C	C	.	.			trans	-105	139.1	175.1	-177.8	-80	0	0	0	109.5	L85 G86 H108 N109 A110	D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 PolarHBondContact OD1-N 3.34Å; D83-G86 PolarHBondContact O-N 2.95Å; D83-G86 PolarHBondContact OD1-N 3.32Å; D83-H108 IonicContact OD1-ND1 3.94Å; D83-H108 WeakPolarHBondContact OD2-CA 3.32Å; D83-H108 WeakPolarHBondContact OD2-CB 3.48Å; D83-H108 IonicContact OD2-CG 3.94Å; D83-H108 IonicContact OD2-ND1 2.69Å; D83-H108 PolarHBondContact OD2-ND1 3.28Å; D83-N109 PolarHBondContact OD2-N 2.79Å; D83-A110 PolarHBondContact N-O 2.89Å
84	P	95	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.5	-176.2	-26.1	36.2	0	0	0	115.1	L4 V80 T88 H90 I106	L4-P84 HydrophobicContact CB-CB 3.88Å; L4-P84 HydrophobicContact CB-CG 4.16Å; L4-P84 HydrophobicContact CD2-CB 4.26Å; V80-P84 HydrophobicContact CB-CB 4.44Å; V80-P84 HydrophobicContact CG2-CB 4.27Å; P84-T88 PolarHBondContact O-OG1 3.3Å; P84-H90 WeakPolarHBondContact O-CB 3.45Å; P84-I106 HydrophobicContact CB-CG2 4.39Å; P84-I106 HydrophobicContact CG-CG2 4.22Å
85	L	94.2	Very high	93.1	Very high	68 Å²	68	29 Å²	29	36%	0.356	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-2.3	-179.2	-57.5	-173.9	0	0	0	113	D83 A87 I94 I106	D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 PolarHBondContact OD1-N 3.34Å; L85-A87 PolarHBondContact O-N 3.42Å; L85-I94 HydrophobicContact CD2-CD1 3.91Å; L85-I106 HydrophobicContact CD1-CD1 3.61Å; L85-I106 HydrophobicContact CD2-CD1 4.42Å; L85-I106 HydrophobicContact CG-CD1 4.15Å
86	G	90.8	Very high	93	Very high	13 Å²	13	28.7 Å²	28.7	13%	0.134	17%	0.171	C	C	.	.	S	Bend	trans	-83.8	105.3	-179.7	0	0	0	0	0	111	D83 T88	D83-G86 PolarHBondContact O-N 2.95Å; D83-G86 PolarHBondContact OD1-N 3.32Å; G86-T88 VanDerWaalsContact C-N 3.33Å; G86-T88 PolarHBondContact O-N 2.91Å
87	A	83.9	Confident	93	Very high	54 Å²	54	28.7 Å²	28.7	45%	0.446	17%	0.171	S	C	.	.	S	Bend	trans	62	32.8	176.9	0	0	0	0	0	115.1	L85 V112 I113 L161	L85-A87 PolarHBondContact O-N 3.42Å; A87-V112 HydrophobicContact CB-CG1 4.37Å; A87-I113 HydrophobicContact CB-CD1 4.35Å; A87-L161 HydrophobicContact CB-CD1 3.44Å; A87-L161 VanDerWaalsContact CB-CD1 3.44Å
88	T	85.2	Confident	92.9	Very high	33 Å²	33	32.4 Å²	32.4	20%	0.202	19%	0.193	C	C	.	.	S	Bend	trans	-127.1	173.7	177.5	69.7	0	0	0	0	111.5	V80 P84 G86 H90	V80-T88 HydrophobicContact CG1-CG2 4.14Å; P84-T88 PolarHBondContact O-OG1 3.3Å; G86-T88 VanDerWaalsContact C-N 3.33Å; G86-T88 PolarHBondContact O-N 2.91Å; T88-H90 VanDerWaalsContact CB-CD2 3.44Å; T88-H90 WeakPolarHBondContact CB-CD2 3.26Å; T88-H90 PolarHBondContact OG1-CD2 3.26Å; T88-H90 PolarHBondContact OG1-N 3.47Å
89	T	87.2	Confident	93	Very high	93 Å²	93	39.3 Å²	39.3	57%	0.571	23%	0.226	S	C	*	.			trans	-103.2	12.1	172.4	51.4	0	0	0	0	112.9	S91 D92	T89-S91 PolarHBondContact O-N 3.36Å; T89-D92 WeakPolarHBondContact O-CB 3.42Å; T89-D92 PolarHBondContact O-N 2.74Å
90	H	92.2	Very high	93.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.1	-172.8	-64.6	-42	0	0	0	115	L4 D32 F78 P84 T88 D92 I93	L4-H90 HydrophobicContact CD2-CB 4.27Å; D32-H90 IonicContact OD2-CD2 3.83Å; D32-H90 IonicContact OD2-CE1 3.9Å; D32-H90 PolarHBondContact OD2-CE1 3.32Å; D32-H90 IonicContact OD2-NE2 3.59Å; D32-H90 PolarHBondContact OD2-NE2 3.06Å; F78-H90 AromaticContact CE1-CE1 3.63Å; F78-H90 AromaticContact CE1-CG 3.94Å; F78-H90 AromaticContact CE1-ND1 3.65Å; F78-H90 AromaticContact CE1-NE2 3.89Å; F78-H90 AromaticContact CZ-CE1 3.77Å; P84-H90 WeakPolarHBondContact O-CB 3.45Å; T88-H90 VanDerWaalsContact CB-CD2 3.44Å; T88-H90 WeakPolarHBondContact CB-CD2 3.26Å; T88-H90 PolarHBondContact OG1-CD2 3.26Å; T88-H90 PolarHBondContact OG1-N 3.47Å; H90-D92 PolarHBondContact O-N 3.18Å; H90-I93 HydrophobicContact CB-CD1 4.39Å; H90-I93 WeakPolarHBondContact O-CB 3.33Å; H90-I93 PolarHBondContact O-N 3.2Å; H90-I93 VanDerWaalsContact O-N 3.07Å
91	S	93.2	Very high	93.2	Very high	64 Å²	64	52.3 Å²	52.3	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-52.5	-30.8	163	-61.1	0	0	0	0	112.2	T89 I93 I94 L95	T89-S91 PolarHBondContact O-N 3.36Å; S91-I93 PolarHBondContact O-N 3.21Å; S91-I94 WeakPolarHBondContact O-CB 3.36Å; S91-I94 PolarHBondContact O-N 2.98Å; S91-L95 WeakPolarHBondContact O-CG 3.35Å; S91-L95 PolarHBondContact O-N 3.45Å
92	D	93.5	Very high	93.5	Very high	73 Å²	73	52.2 Å²	52.2	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-41.9	174.3	173.1	77.5	0	0	0	112.9	T89 H90 I94 L95 R96	T89-D92 WeakPolarHBondContact O-CB 3.42Å; T89-D92 PolarHBondContact O-N 2.74Å; H90-D92 PolarHBondContact O-N 3.18Å; D92-I94 VanDerWaalsContact C-N 3.27Å; D92-I94 PolarHBondContact O-N 2.77Å; D92-L95 PolarHBondContact O-N 3.48Å; D92-R96 PolarHBondContact O-N 3.47Å; D92-R96 IonicContact OD2-CZ 2.59Å; D92-R96 IonicContact OD2-NE 2.84Å; D92-R96 PolarHBondContact OD2-NE 2.61Å; D92-R96 IonicContact OD2-NH2 3.81Å; D92-R96 PolarHBondContact OD2-NH2 3.3Å
93	I	93.5	Very high	93.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-41.1	175.8	-70.1	164	0	0	0	110.5	L2 V61 I68 F78 H90 S91 R96 A97	L2-I93 HydrophobicContact CD2-CG2 3.59Å; V61-I93 HydrophobicContact CG1-CD1 3.86Å; V61-I93 HydrophobicContact CG1-CG1 4.4Å; I68-I93 HydrophobicContact CD1-CG2 4.17Å; F78-I93 HydrophobicContact CD1-CD1 3.65Å; F78-I93 HydrophobicContact CE1-CD1 3.34Å; F78-I93 HydrophobicContact CE2-CD1 4.42Å; F78-I93 HydrophobicContact CG-CD1 4.3Å; F78-I93 HydrophobicContact CZ-CD1 3.77Å; H90-I93 HydrophobicContact CB-CD1 4.39Å; H90-I93 WeakPolarHBondContact O-CB 3.33Å; H90-I93 PolarHBondContact O-N 3.2Å; H90-I93 VanDerWaalsContact O-N 3.07Å; S91-I93 PolarHBondContact O-N 3.21Å; I93-R96 PolarHBondContact O-N 2.67Å; I93-A97 PolarHBondContact O-N 3.34Å
94	I	95.2	Very high	93.8	Very high	17 Å²	17	60 Å²	60	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.8	-63	173.5	0	0	0	110.1	L4 L85 S91 D92 R96 A97 V98 Y104 I106	L4-I94 HydrophobicContact CD1-CG1 4.08Å; L4-I94 HydrophobicContact CD2-CD1 4.13Å; L4-I94 HydrophobicContact CD2-CG1 3.92Å; L85-I94 HydrophobicContact CD2-CD1 3.91Å; S91-I94 WeakPolarHBondContact O-CB 3.36Å; S91-I94 PolarHBondContact O-N 2.98Å; D92-I94 VanDerWaalsContact C-N 3.27Å; D92-I94 PolarHBondContact O-N 2.77Å; I94-R96 PolarHBondContact O-N 3.2Å; I94-A97 WeakPolarHBondContact O-CB 3.42Å; I94-A97 PolarHBondContact O-N 3.35Å; I94-V98 HydrophobicContact CG2-CG2 4.46Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.92Å; I94-Y104 HydrophobicContact CD1-CD2 4.44Å; I94-Y104 HydrophobicContact CD1-CE2 4.21Å; I94-Y104 HydrophobicContact CG1-CD2 4.28Å; I94-Y104 HydrophobicContact CG1-CE2 4.4Å; I94-Y104 HydrophobicContact CG2-CD1 3.93Å; I94-Y104 HydrophobicContact CG2-CD2 4.05Å; I94-Y104 HydrophobicContact CG2-CE1 3.58Å; I94-Y104 HydrophobicContact CG2-CE2 3.71Å; I94-Y104 HydrophobicContact CG2-CG 4.16Å; I94-Y104 VanDerWaalsContact CG2-CZ 3.46Å; I94-I106 HydrophobicContact CD1-CD1 3.69Å; I94-I106 HydrophobicContact CD1-CG1 4.31Å
95	L	96.1	Very high	93.9	Very high	106 Å²	106	63 Å²	63	56%	0.555	34%	0.342	S	S	*	.	H	α-helix	trans	-60.8	-45.8	177.8	-66.9	175.6	0	0	0	111.5	S91 D92 A97 V98 E99	S91-L95 WeakPolarHBondContact O-CG 3.35Å; S91-L95 PolarHBondContact O-N 3.45Å; D92-L95 PolarHBondContact O-N 3.48Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.02Å; L95-V98 PolarHBondContact O-N 3.2Å; L95-V98 VanDerWaalsContact O-N 3.16Å; L95-E99 WeakPolarHBondContact O-CG 3.38Å; L95-E99 PolarHBondContact O-N 2.88Å
96	R	95.4	Very high	94.1	Very high	44 Å²	44	61.4 Å²	61.4	17%	0.166	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-37	174.9	-73.1	-173.8	-80.7	162.3	-5.2	112.8	V61 S64 I68 D92 I93 I94 K100	V61-R96 VanDerWaalsContact O-CZ 3.3Å; V61-R96 PolarHBondContact O-NH1 2.88Å; V61-R96 PolarHBondContact O-NH2 3.01Å; S64-R96 PolarHBondContact O-NH1 2.97Å; S64-R96 VanDerWaalsContact O-NH1 3.1Å; I68-R96 HydrophobicContact CD1-CB 3.97Å; I68-R96 HydrophobicContact CG1-CB 4Å; D92-R96 PolarHBondContact O-N 3.47Å; D92-R96 IonicContact OD2-CZ 2.59Å; D92-R96 IonicContact OD2-NE 2.84Å; D92-R96 PolarHBondContact OD2-NE 2.61Å; D92-R96 IonicContact OD2-NH2 3.81Å; D92-R96 PolarHBondContact OD2-NH2 3.3Å; I93-R96 PolarHBondContact O-N 2.67Å; I94-R96 PolarHBondContact O-N 3.2Å; R96-K100 WeakPolarHBondContact O-CG 3.5Å; R96-K100 PolarHBondContact O-N 3.49Å
97	A	96	Very high	94.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-44.2	174.9	0	0	0	0	0	111.8	L2 I68 I93 I94 L95 E99 K100 N101 I102	L2-A97 HydrophobicContact CD2-CB 3.9Å; I68-A97 HydrophobicContact CD1-CB 4.19Å; I93-A97 PolarHBondContact O-N 3.34Å; I94-A97 WeakPolarHBondContact O-CB 3.42Å; I94-A97 PolarHBondContact O-N 3.35Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.02Å; A97-E99 PolarHBondContact O-N 3.04Å; A97-K100 CarbonylContact O-C 3.42Å; A97-K100 PolarHBondContact O-N 3.3Å; A97-K100 VanDerWaalsContact O-N 3.15Å; A97-N101 PolarHBondContact O-N 3.31Å; A97-I102 HydrophobicContact CB-CB 4.2Å; A97-I102 HydrophobicContact CB-CG2 4.48Å; A97-I102 PolarHBondContact O-N 2.9Å
98	V	96.4	Very high	95.1	Very high	79 Å²	79	63.6 Å²	63.6	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-46.1	176.6	171	0	0	0	0	111.1	I94 L95 K100 N101 Y104	I94-V98 HydrophobicContact CG2-CG2 4.46Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.92Å; L95-V98 PolarHBondContact O-N 3.2Å; L95-V98 VanDerWaalsContact O-N 3.16Å; V98-K100 PolarHBondContact O-N 3.41Å; V98-K100 VanDerWaalsContact O-N 3.17Å; V98-N101 PolarHBondContact O-N 2.75Å; V98-Y104 HydrophobicContact CG2-CD1 4.33Å; V98-Y104 HydrophobicContact CG2-CE1 3.98Å
99	E	96.4	Very high	95.7	Very high	145 Å²	145	63.7 Å²	63.7	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-59.5	-26.9	177.1	-73.2	179	175.8	0	0	113.6	L95 A97	L95-E99 WeakPolarHBondContact O-CG 3.38Å; L95-E99 PolarHBondContact O-N 2.88Å; A97-E99 PolarHBondContact O-N 3.04Å
100	K	95.9	Very high	96.1	Very high	116 Å²	116	61.2 Å²	61.2	50%	0.504	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	10.1	177.5	-60.8	-58.2	-178.2	-171.3	0	113.6	I68 R96 A97 V98 I102	I68-K100 HydrophobicContact CG2-CB 4.1Å; I68-K100 HydrophobicContact CG2-CG 3.73Å; R96-K100 WeakPolarHBondContact O-CG 3.5Å; R96-K100 PolarHBondContact O-N 3.49Å; A97-K100 CarbonylContact O-C 3.42Å; A97-K100 PolarHBondContact O-N 3.3Å; A97-K100 VanDerWaalsContact O-N 3.15Å; V98-K100 PolarHBondContact O-N 3.41Å; V98-K100 VanDerWaalsContact O-N 3.17Å; K100-I102 HydrophobicContact CB-CD1 3.81Å; K100-I102 HydrophobicContact CB-CG1 4.08Å; K100-I102 PolarHBondContact O-N 3.43Å
101	N	96.7	Very high	96.2	Very high	156 Å²	156	61.6 Å²	61.6	83%	0.834	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	36.2	-177	-59.7	-64.3	0	0	0	113.4	A97 V98	A97-N101 PolarHBondContact O-N 3.31Å; V98-N101 PolarHBondContact O-N 2.75Å
102	I	97.4	Very high	96.3	Very high	13 Å²	13	60 Å²	60	7%	0.067	31%	0.31	C	S	.	.			trans	-96.4	124.3	177.4	-62.9	167	0	0	0	108.2	L2 I68 A71 K72 A97 K100	L2-I102 HydrophobicContact CB-CG2 4.23Å; I68-I102 HydrophobicContact CG2-CD1 3.65Å; I68-I102 WeakPolarHBondContact O-CD1 3.44Å; A71-I102 HydrophobicContact CB-CD1 4.31Å; A71-I102 HydrophobicContact CB-CG2 3.84Å; K72-I102 HydrophobicContact CG-CD1 3.73Å; K72-I102 HydrophobicContact CG-CG1 4.16Å; A97-I102 HydrophobicContact CB-CB 4.2Å; A97-I102 HydrophobicContact CB-CG2 4.48Å; A97-I102 PolarHBondContact O-N 2.9Å; K100-I102 HydrophobicContact CB-CD1 3.81Å; K100-I102 HydrophobicContact CB-CG1 4.08Å; K100-I102 PolarHBondContact O-N 3.43Å
103	S	97.4	Very high	96.4	Very high	80 Å²	80	60 Å²	60	56%	0.559	31%	0.309	S	S	*	.			trans	-63.7	138.7	171.3	-56.2	0	0	0	0	110.3	M1 L2	M1-S103 WeakPolarHBondContact SD-CB 3.23Å; L2-S103 PolarHBondContact N-O 3.45Å
104	Y	97.9	Very high	96.5	Very high	105 Å²	105	63.7 Å²	63.7	41%	0.412	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.2	175.2	74.5	-86.1	0	0	0	111.6	L2 I94 V98 I106	L2-Y104 CarbonylContact O-C 3.45Å; L2-Y104 WeakPolarHBondContact O-CA 3.03Å; I94-Y104 HydrophobicContact CD1-CD2 4.44Å; I94-Y104 HydrophobicContact CD1-CE2 4.21Å; I94-Y104 HydrophobicContact CG1-CD2 4.28Å; I94-Y104 HydrophobicContact CG1-CE2 4.4Å; I94-Y104 HydrophobicContact CG2-CD1 3.93Å; I94-Y104 HydrophobicContact CG2-CD2 4.05Å; I94-Y104 HydrophobicContact CG2-CE1 3.58Å; I94-Y104 HydrophobicContact CG2-CE2 3.71Å; I94-Y104 HydrophobicContact CG2-CG 4.16Å; I94-Y104 VanDerWaalsContact CG2-CZ 3.46Å; V98-Y104 HydrophobicContact CG2-CD1 4.33Å; V98-Y104 HydrophobicContact CG2-CE1 3.98Å; Y104-I106 HydrophobicContact CD2-CG1 4.11Å; Y104-I106 HydrophobicContact CE2-CD1 4.19Å; Y104-I106 HydrophobicContact CE2-CG1 4.08Å
105	Q	98	Very high	96.6	Very high	63 Å²	63	64.1 Å²	64.1	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.1	171.8	-179.9	175.5	-6	0	0	110.2	L2 Y3 L4 I107	L2-Q105 PolarHBondContact O-N 2.88Å; Y3-Q105 WeakPolarHBondContact CA-O 3.5Å; Y3-Q105 HydrophobicContact CD1-CB 3.82Å; Y3-Q105 HydrophobicContact CD1-CG 4.33Å; Y3-Q105 HydrophobicContact CE1-CB 3.9Å; Y3-Q105 HydrophobicContact CE1-CG 4.37Å; L4-Q105 PolarHBondContact N-O 3.19Å; Q105-I107 HydrophobicContact CG-CD1 4.02Å
106	I	98	Very high	96.7	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.9	175.8	-49.3	-179.9	0	0	0	109.2	P84 L85 I94 Y104	P84-I106 HydrophobicContact CB-CG2 4.39Å; P84-I106 HydrophobicContact CG-CG2 4.22Å; L85-I106 HydrophobicContact CD1-CD1 3.61Å; L85-I106 HydrophobicContact CD2-CD1 4.42Å; L85-I106 HydrophobicContact CG-CD1 4.15Å; I94-I106 HydrophobicContact CD1-CD1 3.69Å; I94-I106 HydrophobicContact CD1-CG1 4.31Å; Y104-I106 HydrophobicContact CD2-CG1 4.11Å; Y104-I106 HydrophobicContact CE2-CD1 4.19Å; Y104-I106 HydrophobicContact CE2-CG1 4.08Å
107	I	97.9	Very high	96.7	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	99.6	171.8	-47.8	-60.6	0	0	0	107	L4 V5 G6 K18 V22 Q105	L4-I107 PolarHBondContact O-N 2.57Å; V5-I107 HydrophobicContact CB-CB 4.4Å; V5-I107 HydrophobicContact CG1-CB 4.19Å; V5-I107 HydrophobicContact CG1-CG2 4.35Å; V5-I107 HydrophobicContact CG2-CB 4.22Å; V5-I107 HydrophobicContact CG2-CG1 4.03Å; G6-I107 PolarHBondContact N-O 2.86Å; K18-I107 HydrophobicContact CB-CG2 4.32Å; K18-I107 HydrophobicContact CD-CD1 3.86Å; K18-I107 HydrophobicContact CD-CG2 4.28Å; K18-I107 HydrophobicContact CG-CD1 4.06Å; K18-I107 HydrophobicContact CG-CG2 4.27Å; V22-I107 HydrophobicContact CG2-CD1 4.21Å; V22-I107 HydrophobicContact CG2-CG1 4.3Å; Q105-I107 HydrophobicContact CG-CD1 4.02Å
108	H	97.9	Very high	96.7	Very high	110 Å²	110	60.3 Å²	60.3	51%	0.509	33%	0.33	S	S	.	.			trans	-68	159.5	-178.1	-67.5	-70.5	0	0	0	113.2	D83	D83-H108 IonicContact OD1-ND1 3.94Å; D83-H108 WeakPolarHBondContact OD2-CA 3.32Å; D83-H108 WeakPolarHBondContact OD2-CB 3.48Å; D83-H108 IonicContact OD2-CG 3.94Å; D83-H108 IonicContact OD2-ND1 2.69Å; D83-H108 PolarHBondContact OD2-ND1 3.28Å
109	N	96.8	Very high	96.7	Very high	35 Å²	35	56.6 Å²	56.6	19%	0.187	31%	0.307	C	S	.	.			trans	-152.3	-172.9	172.9	-149.6	-29.3	0	0	0	110.9	G6 G8 D14 T16 D83	G6-N109 WeakPolarHBondContact O-CB 3.31Å; G6-N109 PolarHBondContact O-ND2 3.34Å; G8-N109 PolarHBondContact N-ND2 3.34Å; G8-N109 VanDerWaalsContact N-ND2 3.16Å; D14-N109 PolarHBondContact O-ND2 3.14Å; D14-N109 PolarHBondContact O-OD1 2.95Å; T16-N109 HydrophobicContact CG2-CB 4.49Å; D83-N109 PolarHBondContact OD2-N 2.79Å
110	A	95.3	Very high	96.7	Very high	42 Å²	42	50.4 Å²	50.4	35%	0.347	28%	0.283	S	S	.	.			trans	-59.8	142.3	174.1	0	0	0	0	0	111.3	L9 G82 D83	L9-A110 HydrophobicContact CD1-CB 4.26Å; L9-A110 HydrophobicContact CG-CB 4.25Å; G82-A110 CarbonylContact C-O 3.42Å; G82-A110 WeakPolarHBondContact CA-O 3.31Å; D83-A110 PolarHBondContact N-O 2.89Å
111	S	95.2	Very high	96.8	Very high	8 Å²	8	45.1 Å²	45.1	6%	0.056	26%	0.26	C	S	.	.			trans	-126.3	150.1	179	178.7	0	0	0	0	110.1	I113 T114 A115	S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.14Å; S111-I113 PolarHBondContact OG-N 3.08Å; S111-T114 PolarHBondContact O-N 3.44Å; S111-T114 VanDerWaalsContact O-N 3.07Å; S111-T114 PolarHBondContact O-OG1 2.99Å; S111-A115 VanDerWaalsContact O-CB 3.26Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 2.97Å
112	V	94.7	Very high	96.8	Very high	31 Å²	31	39.3 Å²	39.3	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-51.6	-34.5	169	64.9	0	0	0	0	111.6	A87 T114 V116 L161 L227 C262	A87-V112 HydrophobicContact CB-CG1 4.37Å; V112-T114 VanDerWaalsContact C-N 3.26Å; V112-T114 PolarHBondContact O-N 3.01Å; V112-V116 HydrophobicContact CG2-CG1 4.28Å; V112-V116 WeakPolarHBondContact O-CG1 3.26Å; V112-V116 PolarHBondContact O-N 3.22Å; V112-L161 HydrophobicContact CG1-CD2 3.78Å; V112-L161 HydrophobicContact CG2-CD2 4.14Å; V112-L227 HydrophobicContact CG2-CD1 4.11Å; V112-C262 HydrophobicContact CG2-CB 4.26Å
113	I	96	Very high	96.8	Very high	72 Å²	72	42.5 Å²	42.5	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-35.2	-179.1	-62.3	177.3	0	0	0	111.8	A87 S111 V116 L159	A87-I113 HydrophobicContact CB-CD1 4.35Å; S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.14Å; S111-I113 PolarHBondContact OG-N 3.08Å; I113-V116 WeakPolarHBondContact O-CG2 3.18Å; I113-L159 HydrophobicContact CG1-CD2 4.49Å
114	T	96.7	Very high	96.8	Very high	79 Å²	79	46.6 Å²	46.6	49%	0.485	25%	0.249	S	C	.	.	H	α-helix	trans	-99.8	-35.1	-179.8	54.9	0	0	0	0	112.3	S111 V112 V116 G117	S111-T114 PolarHBondContact O-N 3.44Å; S111-T114 VanDerWaalsContact O-N 3.07Å; S111-T114 PolarHBondContact O-OG1 2.99Å; V112-T114 VanDerWaalsContact C-N 3.26Å; V112-T114 PolarHBondContact O-N 3.01Å; T114-V116 PolarHBondContact O-N 3.33Å; T114-G117 PolarHBondContact O-N 3.31Å
115	A	96.6	Very high	96.7	Very high	27 Å²	27	43.3 Å²	43.3	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-25.6	-177.2	0	0	0	0	0	113.3	L9 S111 G117 C118 L227	L9-A115 HydrophobicContact CD1-CB 3.36Å; S111-A115 VanDerWaalsContact O-CB 3.26Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 2.97Å; A115-G117 PolarHBondContact O-N 2.91Å; A115-C118 WeakPolarHBondContact O-CB 3.43Å; A115-C118 PolarHBondContact O-N 3.29Å; A115-C118 PolarHBondContact O-SG 2.97Å; A115-L227 HydrophobicContact CB-CD1 4.31Å
116	V	97.2	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-57.2	-20	175.8	-70.8	0	0	0	0	113.6	V112 I113 T114 C118 C119 L123 F126 L159 L227 I264	V112-V116 HydrophobicContact CG2-CG1 4.28Å; V112-V116 WeakPolarHBondContact O-CG1 3.26Å; V112-V116 PolarHBondContact O-N 3.22Å; I113-V116 WeakPolarHBondContact O-CG2 3.18Å; T114-V116 PolarHBondContact O-N 3.33Å; V116-C118 PolarHBondContact O-N 2.82Å; V116-C119 PolarHBondContact O-N 3.23Å; V116-C119 VanDerWaalsContact O-N 3.09Å; V116-C119 PolarHBondContact O-SG 2.97Å; V116-L123 HydrophobicContact CG2-CD2 3.9Å; V116-F126 HydrophobicContact CG2-CE1 4.37Å; V116-F126 HydrophobicContact CG2-CZ 4.31Å; V116-L159 HydrophobicContact CG1-CD1 3.65Å; V116-L159 HydrophobicContact CG1-CD2 4.34Å; V116-L159 HydrophobicContact CG2-CD2 4.39Å; V116-L227 HydrophobicContact CG1-CD1 3.79Å; V116-I264 HydrophobicContact CB-CD1 4.02Å; V116-I264 HydrophobicContact CG1-CD1 4.38Å
117	G	97.1	Very high	96.7	Very high	24 Å²	24	41.7 Å²	41.7	25%	0.247	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.5	-18.3	172.4	0	0	0	0	0	113.9	T114 A115 C119 G120	T114-G117 PolarHBondContact O-N 3.31Å; A115-G117 PolarHBondContact O-N 2.91Å; G117-C119 PolarHBondContact O-N 3.05Å; G117-C119 VanDerWaalsContact O-N 3.15Å; G117-G120 PolarHBondContact O-N 3.42Å
118	C	95.7	Very high	96.7	Very high	46 Å²	46	43.4 Å²	43.4	31%	0.311	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.9	-18.5	173.7	68.9	0	0	0	0	114.3	A115 V116 G120 L227 Q232	A115-C118 WeakPolarHBondContact O-CB 3.43Å; A115-C118 PolarHBondContact O-N 3.29Å; A115-C118 PolarHBondContact O-SG 2.97Å; V116-C118 PolarHBondContact O-N 2.82Å; C118-G120 PolarHBondContact O-N 3.4Å; C118-L227 VanDerWaalsContact SG-CD2 3.52Å; C118-Q232 PolarHBondContact SG-NE2 3.12Å; C118-Q232 VanDerWaalsContact SG-NE2 3.39Å
119	C	95.8	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-76.9	-5.6	173.2	72.3	0	0	0	0	114.1	V116 G117 I222 L224 I234 I264 F276 L277	V116-C119 PolarHBondContact O-N 3.23Å; V116-C119 VanDerWaalsContact O-N 3.09Å; V116-C119 PolarHBondContact O-SG 2.97Å; G117-C119 PolarHBondContact O-N 3.05Å; G117-C119 VanDerWaalsContact O-N 3.15Å; C119-I222 HydrophobicContact CB-CG2 4.03Å; C119-L224 HydrophobicContact CB-CD2 3.98Å; C119-I234 HydrophobicContact CB-CD1 4.19Å; C119-I234 HydrophobicContact CB-CG2 4.02Å; C119-I264 VanDerWaalsContact SG-CD1 3.59Å; C119-F276 WeakPolarHBondContact O-CD1 3.42Å; C119-L277 WeakPolarHBondContact O-CD2 3.33Å
120	G	96	Very high	96.7	Very high	16 Å²	16	39.5 Å²	39.5	17%	0.165	24%	0.236	C	C	.	.	S	Bend	trans	93.8	-8.3	178.9	0	0	0	0	0	115.2	G117 C118	G117-G120 PolarHBondContact O-N 3.42Å; C118-G120 PolarHBondContact O-N 3.4Å
121	L	97.9	Very high	96.7	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	25%	0.247	C	C	.	.			trans	-73.3	142.4	172	-61.6	-173.1	0	0	0	110.9	L123 F126 H157 I222 I264 P266 E273 L277	L121-L123 PolarHBondContact O-N 3.1Å; L121-F126 HydrophobicContact CB-CE2 3.86Å; L121-F126 HydrophobicContact CB-CZ 4.04Å; L121-F126 HydrophobicContact CD1-CZ 4.21Å; L121-H157 HydrophobicContact CD1-CB 4.39Å; L121-I222 HydrophobicContact CD1-CD1 3.58Å; L121-I222 HydrophobicContact CD2-CD1 4.37Å; L121-I222 HydrophobicContact CG-CD1 3.91Å; L121-I264 HydrophobicContact CD1-CG2 3.77Å; L121-P266 HydrophobicContact CD1-CB 4.3Å; L121-P266 HydrophobicContact CD1-CG 4.24Å; L121-E273 WeakPolarHBondContact CA-OE1 3.42Å; L121-E273 HydrophobicContact CD2-CB 3.89Å; L121-E273 HydrophobicContact CD2-CG 4.12Å; L121-L277 HydrophobicContact CD2-CD1 4.42Å
122	Q	97.4	Very high	96.8	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.164	25%	0.245	C	C	.	.			trans	-78.9	119.9	-176.8	-65.2	176	-36.4	0	0	109.6	Y124 N125 F126 E273	Q122-Y124 HydrophobicContact CB-CD1 3.96Å; Q122-Y124 HydrophobicContact CB-CD2 4.45Å; Q122-Y124 HydrophobicContact CB-CE1 3.63Å; Q122-Y124 HydrophobicContact CB-CE2 4.12Å; Q122-Y124 HydrophobicContact CB-CG 4.39Å; Q122-Y124 HydrophobicContact CG-CE1 4Å; Q122-Y124 PolarHBondContact NE2-OH 3.02Å; Q122-Y124 PolarHBondContact O-N 2.79Å; Q122-Y124 PolarHBondContact OE1-OH 3.03Å; Q122-N125 PolarHBondContact O-N 2.89Å; Q122-N125 PolarHBondContact OE1-ND2 3.04Å; Q122-F126 WeakPolarHBondContact O-CD2 3.14Å; Q122-E273 WeakPolarHBondContact CB-OE1 3.48Å; Q122-E273 HydrophobicContact CG-CG 3.99Å; Q122-E273 WeakPolarHBondContact CG-OE1 3.29Å; Q122-E273 PolarHBondContact N-OE1 3.44Å
123	L	97.6	Very high	96.8	Very high	80 Å²	80	41.3 Å²	41.3	42%	0.419	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-56.5	-28.2	-176.3	-66.7	179.2	0	0	0	113.6	V116 L121 N125 F126	V116-L123 HydrophobicContact CG2-CD2 3.9Å; L121-L123 PolarHBondContact O-N 3.1Å; L123-N125 PolarHBondContact O-N 3Å; L123-F126 HydrophobicContact CD2-CE2 4.33Å; L123-F126 PolarHBondContact O-N 3.22Å
124	Y	96.6	Very high	96.7	Very high	165 Å²	165	38.2 Å²	38.2	65%	0.647	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-73.3	-12.7	178.2	61.4	-104.8	0	0	0	114.2	Q122	Q122-Y124 HydrophobicContact CB-CD1 3.96Å; Q122-Y124 HydrophobicContact CB-CD2 4.45Å; Q122-Y124 HydrophobicContact CB-CE1 3.63Å; Q122-Y124 HydrophobicContact CB-CE2 4.12Å; Q122-Y124 HydrophobicContact CB-CG 4.39Å; Q122-Y124 HydrophobicContact CG-CE1 4Å; Q122-Y124 PolarHBondContact NE2-OH 3.02Å; Q122-Y124 PolarHBondContact O-N 2.79Å; Q122-Y124 PolarHBondContact OE1-OH 3.03Å
125	N	97.3	Very high	96.6	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-94.9	6.9	176	-69.2	-25.4	0	0	0	112.7	Q122 L123 F156 H157	Q122-N125 PolarHBondContact O-N 2.89Å; Q122-N125 PolarHBondContact OE1-ND2 3.04Å; L123-N125 PolarHBondContact O-N 3Å; N125-F156 CarbonylContact O-C 3.54Å; N125-F156 VanDerWaalsContact O-CA 3.32Å; N125-F156 WeakPolarHBondContact O-CA 3.15Å; N125-H157 VanDerWaalsContact CB-CD2 3.41Å; N125-H157 WeakPolarHBondContact CB-CD2 3.42Å; N125-H157 VanDerWaalsContact CB-NE2 3.31Å; N125-H157 WeakPolarHBondContact CB-NE2 3.5Å; N125-H157 PolarHBondContact O-CD2 3.44Å; N125-H157 PolarHBondContact O-N 2.93Å
126	F	98.1	Very high	96.1	Very high	38 Å²	38	38 Å²	38	17%	0.167	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-84.4	131.2	174.8	-76.6	-106.3	0	0	0	111.1	V116 L121 Q122 L123 H157 L159 I264	V116-F126 HydrophobicContact CG2-CE1 4.37Å; V116-F126 HydrophobicContact CG2-CZ 4.31Å; L121-F126 HydrophobicContact CB-CE2 3.86Å; L121-F126 HydrophobicContact CB-CZ 4.04Å; L121-F126 HydrophobicContact CD1-CZ 4.21Å; Q122-F126 WeakPolarHBondContact O-CD2 3.14Å; L123-F126 HydrophobicContact CD2-CE2 4.33Å; L123-F126 PolarHBondContact O-N 3.22Å; F126-H157 CarbonylContact C-O 3.53Å; F126-H157 WeakPolarHBondContact CA-O 3.49Å; F126-H157 HydrophobicContact CD1-CB 4Å; F126-H157 HydrophobicContact CD2-CB 4.28Å; F126-H157 AromaticContact CD2-CD2 3.98Å; F126-H157 HydrophobicContact CE1-CB 4.03Å; F126-H157 HydrophobicContact CE2-CB 4.31Å; F126-H157 AromaticContact CE2-CD2 3.92Å; F126-H157 HydrophobicContact CG-CB 4.14Å; F126-H157 HydrophobicContact CZ-CB 4.19Å; F126-L159 HydrophobicContact CD1-CB 4.01Å; F126-L159 HydrophobicContact CE1-CB 4.17Å; F126-I264 HydrophobicContact CE1-CD1 4.11Å; F126-I264 HydrophobicContact CE1-CG1 4.16Å; F126-I264 HydrophobicContact CE1-CG2 3.75Å; F126-I264 HydrophobicContact CZ-CD1 4Å; F126-I264 HydrophobicContact CZ-CG2 4.09Å
127	G	97.7	Very high	95.4	Very high	24 Å²	24	45.7 Å²	45.7	25%	0.247	26%	0.256	C	S	.	.			trans	-90.2	-145.5	175	0	0	0	0	0	111.9	T129 H157	G127-T129 PolarHBondContact O-N 3.25Å; G127-H157 PolarHBondContact N-O 3.46Å
128	A	96.6	Very high	94.5	Very high	39 Å²	39	50.4 Å²	50.4	32%	0.322	27%	0.27	S	S	.	.			trans	-62.6	125	178	0	0	0	0	0	111.2	M150 N151	A128-M150 HydrophobicContact CB-CE 4.23Å; A128-N151 PolarHBondContact N-ND2 3.38Å; A128-N151 PolarHBondContact N-OD1 3.32Å; A128-N151 PolarHBondContact O-ND2 3.36Å
129	T	97.7	Very high	94	Very high	57 Å²	57	49.4 Å²	49.4	35%	0.35	27%	0.268	S	S	.	.			trans	-70.7	143.2	169.3	-61	0	0	0	0	109.9	G127 L159 L161	G127-T129 PolarHBondContact O-N 3.25Å; T129-L159 WeakPolarHBondContact CA-O 3.26Å; T129-L159 HydrophobicContact CG2-CB 4.14Å; T129-L159 HydrophobicContact CG2-CD2 4.16Å; T129-L159 HydrophobicContact CG2-CG 4.05Å; T129-L159 WeakPolarHBondContact CG2-O 3.27Å; T129-L161 HydrophobicContact CG2-CD1 3.84Å; T129-L161 HydrophobicContact CG2-CG 3.89Å
130	V	97.3	Very high	93.8	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.5	179	-54.3	0	0	0	0	111.1	F144 K147 I148 T158 L159 C160 L161	V130-F144 HydrophobicContact CB-CB 4.18Å; V130-F144 HydrophobicContact CG2-CB 4.38Å; V130-K147 HydrophobicContact CG1-CB 3.47Å; V130-K147 VanDerWaalsContact CG1-CB 3.47Å; V130-K147 HydrophobicContact CG1-CD 3.94Å; V130-K147 HydrophobicContact CG1-CG 4.37Å; V130-I148 HydrophobicContact CG2-CD1 4.3Å; V130-I148 HydrophobicContact CG2-CG1 4.06Å; V130-T158 HydrophobicContact CG1-CG2 3.96Å; V130-T158 HydrophobicContact CG2-CG2 3.85Å; V130-L159 PolarHBondContact N-O 3.18Å; V130-C160 HydrophobicContact CG2-CB 3.97Å; V130-C160 VanDerWaalsContact CG2-SG 3.51Å; V130-C160 WeakPolarHBondContact O-CA 3.4Å; V130-L161 PolarHBondContact O-N 3.45Å
131	S	96.5	Very high	93.7	Very high	83 Å²	83	56 Å²	56	58%	0.58	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	168.6	-56.8	0	0	0	0	109.2	P133 L161	S131-P133 WeakPolarHBondContact O-CD 3.34Å; S131-L161 CarbonylContact C-O 3.6Å; S131-L161 WeakPolarHBondContact CA-O 3.42Å
132	I	96.9	Very high	93.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104	177.4	-55.2	-179.3	0	0	0	108.2	F144 C160 L161 L162 D163 M187 A192 I196 M263	I132-F144 HydrophobicContact CD1-CD2 4.42Å; I132-F144 HydrophobicContact CG1-CB 4.36Å; I132-F144 HydrophobicContact CG1-CD2 4.06Å; I132-F144 HydrophobicContact CG1-CG 4.11Å; I132-F144 HydrophobicContact CG2-CD1 4.38Å; I132-F144 HydrophobicContact CG2-CE1 4.09Å; I132-F144 HydrophobicContact CG2-CE2 4.32Å; I132-F144 HydrophobicContact CG2-CZ 4.08Å; I132-C160 HydrophobicContact CD1-CB 3.81Å; I132-C160 HydrophobicContact CG1-CB 4.3Å; I132-L161 PolarHBondContact N-O 3.11Å; I132-L162 HydrophobicContact CB-CD2 4.13Å; I132-L162 HydrophobicContact CD1-CD2 3.99Å; I132-L162 HydrophobicContact CG1-CD2 4.33Å; I132-D163 VanDerWaalsContact O-CB 3.23Å; I132-D163 WeakPolarHBondContact O-CB 3.38Å; I132-D163 PolarHBondContact O-N 2.92Å; I132-D163 VanDerWaalsContact O-N 3.13Å; I132-M187 HydrophobicContact CB-SD 4.02Å; I132-M187 HydrophobicContact CG2-CE 4Å; I132-M187 HydrophobicContact CG2-SD 3.72Å; I132-M187 VanDerWaalsContact O-CE 3.3Å; I132-M187 WeakPolarHBondContact O-CE 3.25Å; I132-M187 VanDerWaalsContact O-SD 3.39Å; I132-A192 HydrophobicContact CD1-CB 4.16Å; I132-A192 HydrophobicContact CG2-CB 4.47Å; I132-I196 HydrophobicContact CD1-CD1 3.96Å; I132-I196 HydrophobicContact CD1-CG1 4.33Å; I132-M263 HydrophobicContact CD1-CE 3.63Å
133	P	95	Very high	93.2	Very high	36 Å²	36	61.1 Å²	61.1	23%	0.234	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-73.4	148.8	-178.2	31.5	-36.6	0	0	0	112.6	S131 W135 P141 M187 Q195	S131-P133 WeakPolarHBondContact O-CD 3.34Å; P133-W135 PolarHBondContact O-N 3.08Å; P133-P141 HydrophobicContact CB-CG 4.13Å; P133-P141 HydrophobicContact CG-CB 4.19Å; P133-P141 HydrophobicContact CG-CG 3.3Å; P133-M187 WeakPolarHBondContact O-CE 3.42Å; P133-Q195 PolarHBondContact O-NE2 3.37Å; P133-Q195 PolarHBondContact O-OE1 3.35Å; P133-Q195 VanDerWaalsContact O-OE1 3.12Å
134	L	93.6	Very high	93.1	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.5	167.5	-76.5	165.9	0	0	0	109.2	D163 K165 R185 M187 E191	L134-D163 WeakPolarHBondContact CB-OD2 3.42Å; L134-D163 HydrophobicContact CG-CB 4.17Å; L134-D163 PolarHBondContact N-OD2 3.31Å; L134-K165 HydrophobicContact CD1-CD 3.95Å; L134-K165 HydrophobicContact CD1-CG 4.01Å; L134-R185 HydrophobicContact CD1-CB 4.01Å; L134-M187 HydrophobicContact CB-CE 4.39Å; L134-M187 HydrophobicContact CD2-CB 3.9Å; L134-M187 HydrophobicContact CD2-CE 3.78Å; L134-M187 HydrophobicContact CD2-CG 4.39Å; L134-M187 HydrophobicContact CG-CB 4.21Å; L134-M187 HydrophobicContact CG-CE 3.95Å; L134-E191 VanDerWaalsContact CD2-OE1 3.22Å; L134-E191 WeakPolarHBondContact CD2-OE1 3.19Å
135	W	93	Very high	93	Very high	37 Å²	37	50.4 Å²	50.4	14%	0.14	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.6	147.3	170.5	-69.3	-8.8	0	0	0	110.8	P133 H140 P141 Q195 D198 V199	P133-W135 PolarHBondContact O-N 3.08Å; W135-H140 HydrophobicContact CD2-CB 4.1Å; W135-H140 AromaticContact CD2-CD2 3.48Å; W135-H140 VanDerWaalsContact CD2-CD2 3.48Å; W135-H140 AromaticContact CE3-CD2 3.33Å; W135-H140 HydrophobicContact CG-CB 4.27Å; W135-H140 AromaticContact CG-CD2 3.83Å; W135-H140 HydrophobicContact CZ2-CB 4.47Å; W135-H140 AromaticContact CZ3-CD2 3.93Å; W135-P141 PolarHBondContact NE1-O 3.29Å; W135-P141 VanDerWaalsContact NE1-O 3.13Å; W135-Q195 HydrophobicContact CD2-CG 3.82Å; W135-Q195 HydrophobicContact CE3-CG 3.84Å; W135-Q195 HydrophobicContact CG-CG 4.42Å; W135-Q195 HydrophobicContact CH2-CB 4.05Å; W135-Q195 HydrophobicContact CH2-CG 4.22Å; W135-Q195 HydrophobicContact CZ2-CB 3.99Å; W135-Q195 HydrophobicContact CZ2-CG 4.18Å; W135-Q195 HydrophobicContact CZ3-CB 4.33Å; W135-Q195 HydrophobicContact CZ3-CG 4.06Å; W135-D198 HydrophobicContact CH2-CB 4.03Å; W135-D198 HydrophobicContact CZ3-CB 4.12Å; W135-V199 HydrophobicContact CH2-CG2 3.82Å; W135-V199 HydrophobicContact CZ2-CG2 3.56Å
136	D	86.3	Confident	92.8	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-139	-178.9	170.9	61.1	33.6	0	0	0	110.1	F138 G139 H140 K165	D136-F138 PolarHBondContact O-N 3.29Å; D136-F138 VanDerWaalsContact O-N 3.12Å; D136-F138 WeakPolarHBondContact OD1-CA 3.33Å; D136-F138 WeakPolarHBondContact OD1-CB 3.48Å; D136-F138 PolarHBondContact OD1-N 3Å; D136-G139 PolarHBondContact N-O 3.08Å; D136-G139 PolarHBondContact O-N 2.81Å; D136-G139 PolarHBondContact OD1-N 3.3Å; D136-H140 PolarHBondContact O-CE1 3.24Å; D136-K165 IonicContact OD2-NZ 3.94Å
137	E	82.7	Confident	92.6	Very high	161 Å²	161	55.9 Å²	55.9	75%	0.752	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	-179.8	63.4	-175	172.6	0	0	113.8
138	F	79.4	Confident	92.5	Very high	123 Å²	123	54.9 Å²	54.9	54%	0.539	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-24.2	-176.3	-55.3	-71	0	0	0	113.1	D136 L171	D136-F138 PolarHBondContact O-N 3.29Å; D136-F138 VanDerWaalsContact O-N 3.12Å; D136-F138 WeakPolarHBondContact OD1-CA 3.33Å; D136-F138 WeakPolarHBondContact OD1-CB 3.48Å; D136-F138 PolarHBondContact OD1-N 3Å; F138-L171 HydrophobicContact CB-CD2 4.23Å; F138-L171 HydrophobicContact CD1-CD2 3.85Å; F138-L171 HydrophobicContact CD2-CB 4.14Å; F138-L171 HydrophobicContact CD2-CD2 3.7Å; F138-L171 HydrophobicContact CE1-CD2 4.12Å; F138-L171 HydrophobicContact CE2-CB 3.98Å; F138-L171 HydrophobicContact CE2-CD2 3.97Å; F138-L171 HydrophobicContact CG-CD2 3.63Å; F138-L171 HydrophobicContact CZ-CD2 4.18Å
139	G	83.7	Confident	92.3	Very high	26 Å²	26	54.1 Å²	54.1	27%	0.268	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-153.2	130.2	-172.3	0	0	0	0	0	115	D136 P141	D136-G139 PolarHBondContact N-O 3.08Å; D136-G139 PolarHBondContact O-N 2.81Å; D136-G139 PolarHBondContact OD1-N 3.3Å; G139-P141 WeakPolarHBondContact O-CD 3.39Å
140	H	92.5	Very high	92	Very high	94 Å²	94	56.1 Å²	56.1	44%	0.435	30%	0.297	S	S	.	.			trans	-120	59.9	170.8	-63.2	66.3	0	0	0	110.3	W135 D136 E142	W135-H140 HydrophobicContact CD2-CB 4.1Å; W135-H140 AromaticContact CD2-CD2 3.48Å; W135-H140 VanDerWaalsContact CD2-CD2 3.48Å; W135-H140 AromaticContact CE3-CD2 3.33Å; W135-H140 HydrophobicContact CG-CB 4.27Å; W135-H140 AromaticContact CG-CD2 3.83Å; W135-H140 HydrophobicContact CZ2-CB 4.47Å; W135-H140 AromaticContact CZ3-CD2 3.93Å; D136-H140 PolarHBondContact O-CE1 3.24Å; H140-E142 PolarHBondContact O-N 2.92Å
141	P	93.4	Very high	92	Very high	59 Å²	59	56.1 Å²	56.1	38%	0.383	30%	0.297	S	S	.	.			trans	-57.4	137.7	179.5	27	-37.5	0	0	0	110.7	P133 W135 G139 F144	P133-P141 HydrophobicContact CB-CG 4.13Å; P133-P141 HydrophobicContact CG-CB 4.19Å; P133-P141 HydrophobicContact CG-CG 3.3Å; W135-P141 PolarHBondContact NE1-O 3.29Å; W135-P141 VanDerWaalsContact NE1-O 3.13Å; G139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-F144 WeakPolarHBondContact O-CE1 3.49Å
142	E	93.4	Very high	91.8	Very high	66 Å²	66	52.3 Å²	52.3	31%	0.308	27%	0.27	S	S	.	.			trans	-129.6	6.9	-172.2	58.9	174.5	-141.1	0	0	113.6	H140 F144 Y145 V199 R202 K203	H140-E142 PolarHBondContact O-N 2.92Å; E142-F144 PolarHBondContact O-N 3.04Å; E142-F144 VanDerWaalsContact O-N 3.14Å; E142-Y145 VanDerWaalsContact O-CB 3.29Å; E142-Y145 WeakPolarHBondContact O-CB 3.37Å; E142-Y145 PolarHBondContact O-N 3Å; E142-V199 HydrophobicContact CB-CG1 3.85Å; E142-V199 HydrophobicContact CB-CG2 3.76Å; E142-R202 IonicContact OE2-NH2 3.79Å; E142-R202 PolarHBondContact OE2-NH2 2.59Å; E142-K203 WeakPolarHBondContact OE1-CE 3.3Å; E142-K203 IonicContact OE1-NZ 3.18Å
143	S	92.7	Very high	91.6	Very high	81 Å²	81	56.4 Å²	56.4	57%	0.566	29%	0.288	S	S	*	.	H	α-helix	trans	-63	-22	-175.9	62.4	0	0	0	0	114	Y145	S143-Y145 PolarHBondContact O-N 2.88Å
144	F	94.8	Very high	91.5	Very high	4 Å²	4	58 Å²	58	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-33.7	173.1	60.7	-99.8	0	0	0	112	V130 I132 P141 E142 D146 K147 I148 Q195 I196 V199	V130-F144 HydrophobicContact CB-CB 4.18Å; V130-F144 HydrophobicContact CG2-CB 4.38Å; I132-F144 HydrophobicContact CD1-CD2 4.42Å; I132-F144 HydrophobicContact CG1-CB 4.36Å; I132-F144 HydrophobicContact CG1-CD2 4.06Å; I132-F144 HydrophobicContact CG1-CG 4.11Å; I132-F144 HydrophobicContact CG2-CD1 4.38Å; I132-F144 HydrophobicContact CG2-CE1 4.09Å; I132-F144 HydrophobicContact CG2-CE2 4.32Å; I132-F144 HydrophobicContact CG2-CZ 4.08Å; P141-F144 WeakPolarHBondContact O-CE1 3.49Å; E142-F144 PolarHBondContact O-N 3.04Å; E142-F144 VanDerWaalsContact O-N 3.14Å; F144-D146 PolarHBondContact O-N 3.34Å; F144-K147 PolarHBondContact O-N 3.41Å; F144-I148 HydrophobicContact CD2-CD1 4.01Å; F144-I148 WeakPolarHBondContact O-CG1 3.34Å; F144-I148 PolarHBondContact O-N 2.82Å; F144-Q195 HydrophobicContact CZ-CB 4.31Å; F144-I196 HydrophobicContact CD2-CG1 4.46Å; F144-I196 HydrophobicContact CE2-CG1 3.91Å; F144-V199 HydrophobicContact CZ-CG2 4.14Å
145	Y	94.3	Very high	91.6	Very high	17 Å²	17	58.2 Å²	58.2	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-44.5	-175.9	-177.8	-93.5	0	0	0	111.4	E142 S143 K147 I148 I149 I196 V199 S200 K203	E142-Y145 VanDerWaalsContact O-CB 3.29Å; E142-Y145 WeakPolarHBondContact O-CB 3.37Å; E142-Y145 PolarHBondContact O-N 3Å; S143-Y145 PolarHBondContact O-N 2.88Å; Y145-K147 VanDerWaalsContact C-N 3.28Å; Y145-K147 PolarHBondContact O-N 3.01Å; Y145-I148 WeakPolarHBondContact O-CB 3.49Å; Y145-I148 PolarHBondContact O-N 2.95Å; Y145-I149 HydrophobicContact CD1-CG1 3.99Å; Y145-I149 HydrophobicContact CE1-CD1 4.22Å; Y145-I149 HydrophobicContact CE1-CG1 3.59Å; Y145-I149 HydrophobicContact CE2-CD1 4.39Å; Y145-I149 HydrophobicContact CE2-CG1 4.38Å; Y145-I149 WeakPolarHBondContact O-CG1 3.48Å; Y145-I149 PolarHBondContact O-N 3.26Å; Y145-I196 HydrophobicContact CD2-CG2 4.22Å; Y145-I196 HydrophobicContact CE2-CG2 4.23Å; Y145-V199 HydrophobicContact CD1-CG1 3.92Å; Y145-V199 HydrophobicContact CD2-CB 4.14Å; Y145-V199 HydrophobicContact CD2-CG1 3.89Å; Y145-V199 HydrophobicContact CG-CB 4.26Å; Y145-V199 HydrophobicContact CG-CG1 3.53Å; Y145-S200 WeakPolarHBondContact OH-CB 3.41Å; Y145-S200 PolarHBondContact OH-OG 3.33Å; Y145-K203 HydrophobicContact CD1-CD 3.91Å; Y145-K203 HydrophobicContact CE1-CD 4.04Å
146	D	92.1	Very high	91.8	Very high	86 Å²	86	60.7 Å²	60.7	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-35.1	-178.4	-63.6	-30.6	0	0	0	111.9	F144 M150 K203	F144-D146 PolarHBondContact O-N 3.34Å; D146-M150 VanDerWaalsContact O-CB 3.31Å; D146-M150 WeakPolarHBondContact O-CB 3.4Å; D146-M150 PolarHBondContact O-N 2.75Å; D146-K203 IonicContact OD1-NZ 3.18Å; D146-K203 PolarHBondContact OD1-NZ 2.98Å; D146-K203 IonicContact OD2-NZ 2.69Å; D146-K203 PolarHBondContact OD2-NZ 3.25Å
147	K	94.5	Very high	92.4	Very high	103 Å²	103	57.6 Å²	57.6	45%	0.448	30%	0.299	S	S	.	.	H	α-helix	trans	-70.4	-39.7	174.6	-69.9	179.2	-179.7	178.5	0	112.5	V130 F144 Y145 M150 N151	V130-K147 HydrophobicContact CG1-CB 3.47Å; V130-K147 VanDerWaalsContact CG1-CB 3.47Å; V130-K147 HydrophobicContact CG1-CD 3.94Å; V130-K147 HydrophobicContact CG1-CG 4.37Å; F144-K147 PolarHBondContact O-N 3.41Å; Y145-K147 VanDerWaalsContact C-N 3.28Å; Y145-K147 PolarHBondContact O-N 3.01Å; K147-M150 WeakPolarHBondContact O-CB 3.31Å; K147-M150 PolarHBondContact O-N 3.09Å; K147-N151 PolarHBondContact O-N 3.17Å
148	I	95.1	Very high	93.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-50.5	172.8	-69.6	162.6	0	0	0	109.5	V130 F144 Y145 M150 N151 M152 T158 I196 I265	V130-I148 HydrophobicContact CG2-CD1 4.3Å; V130-I148 HydrophobicContact CG2-CG1 4.06Å; F144-I148 HydrophobicContact CD2-CD1 4.01Å; F144-I148 WeakPolarHBondContact O-CG1 3.34Å; F144-I148 PolarHBondContact O-N 2.82Å; Y145-I148 WeakPolarHBondContact O-CB 3.49Å; Y145-I148 PolarHBondContact O-N 2.95Å; I148-M150 VanDerWaalsContact C-N 3.32Å; I148-M150 PolarHBondContact O-N 3.11Å; I148-N151 PolarHBondContact O-N 2.95Å; I148-M152 HydrophobicContact CG2-SD 4.21Å; I148-M152 WeakPolarHBondContact O-CG 3.41Å; I148-M152 PolarHBondContact O-N 3.03Å; I148-T158 HydrophobicContact CG1-CG2 3.89Å; I148-I196 HydrophobicContact CD1-CD1 3.89Å; I148-I196 HydrophobicContact CD1-CG1 4.2Å; I148-I265 HydrophobicContact CG2-CB 4.27Å; I148-I265 HydrophobicContact CG2-CG1 4.3Å; I148-I265 HydrophobicContact CG2-CG2 4.08Å
149	I	92.5	Very high	94	Very high	22 Å²	22	44.2 Å²	44.2	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-39.6	179.1	-63.9	-57.9	0	0	0	111.4	Y145 M152 K153 T216	Y145-I149 HydrophobicContact CD1-CG1 3.99Å; Y145-I149 HydrophobicContact CE1-CD1 4.22Å; Y145-I149 HydrophobicContact CE1-CG1 3.59Å; Y145-I149 HydrophobicContact CE2-CD1 4.39Å; Y145-I149 HydrophobicContact CE2-CG1 4.38Å; Y145-I149 WeakPolarHBondContact O-CG1 3.48Å; Y145-I149 PolarHBondContact O-N 3.26Å; I149-M152 HydrophobicContact CD1-SD 4.49Å; I149-M152 PolarHBondContact O-N 3.24Å; I149-K153 HydrophobicContact CG2-CD 4.1Å; I149-K153 HydrophobicContact CG2-CG 4.31Å; I149-K153 WeakPolarHBondContact O-CB 3.39Å; I149-K153 VanDerWaalsContact O-CG 3.29Å; I149-K153 WeakPolarHBondContact O-CG 3.32Å; I149-K153 PolarHBondContact O-N 3.28Å; I149-T216 HydrophobicContact CD1-CG2 4.09Å
150	M	93	Very high	94.7	Very high	99 Å²	99	43 Å²	43	49%	0.488	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-50.1	175.6	-178.1	-177.2	72.1	0	0	111.6	A128 D146 K147 I148 M152 K153 S154	A128-M150 HydrophobicContact CB-CE 4.23Å; D146-M150 VanDerWaalsContact O-CB 3.31Å; D146-M150 WeakPolarHBondContact O-CB 3.4Å; D146-M150 PolarHBondContact O-N 2.75Å; K147-M150 WeakPolarHBondContact O-CB 3.31Å; K147-M150 PolarHBondContact O-N 3.09Å; I148-M150 VanDerWaalsContact C-N 3.32Å; I148-M150 PolarHBondContact O-N 3.11Å; M150-M152 PolarHBondContact O-N 3.49Å; M150-K153 PolarHBondContact O-N 3.42Å; M150-S154 PolarHBondContact O-N 2.84Å; M150-S154 VanDerWaalsContact O-N 3.14Å; M150-S154 PolarHBondContact O-OG 3.08Å
151	N	95.8	Very high	95	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-45.4	177.2	-75	-16.6	0	0	0	111.7	A128 K147 I148 K153 S154 G155 F156 T158	A128-N151 PolarHBondContact N-ND2 3.38Å; A128-N151 PolarHBondContact N-OD1 3.32Å; A128-N151 PolarHBondContact O-ND2 3.36Å; K147-N151 PolarHBondContact O-N 3.17Å; I148-N151 PolarHBondContact O-N 2.95Å; N151-K153 PolarHBondContact O-N 2.93Å; N151-S154 CarbonylContact O-C 3.43Å; N151-S154 WeakPolarHBondContact O-CA 3.44Å; N151-S154 PolarHBondContact O-N 3.27Å; N151-G155 PolarHBondContact O-N 3.37Å; N151-F156 CarbonylContact C-O 3.51Å; N151-F156 HydrophobicContact CB-CB 4.19Å; N151-F156 PolarHBondContact O-N 3.23Å; N151-T158 WeakPolarHBondContact CB-OG1 3.48Å; N151-T158 PolarHBondContact ND2-OG1 2.9Å
152	M	93.2	Very high	95.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-45.6	177.8	-75.1	-174.7	73.4	0	0	112.1	I148 I149 M150 S154 G155 C219 I265 V319 M322	I148-M152 HydrophobicContact CG2-SD 4.21Å; I148-M152 WeakPolarHBondContact O-CG 3.41Å; I148-M152 PolarHBondContact O-N 3.03Å; I149-M152 HydrophobicContact CD1-SD 4.49Å; I149-M152 PolarHBondContact O-N 3.24Å; M150-M152 PolarHBondContact O-N 3.49Å; M152-S154 PolarHBondContact O-N 2.94Å; M152-G155 PolarHBondContact O-N 3.37Å; M152-C219 HydrophobicContact CE-CB 4.48Å; M152-C219 WeakPolarHBondContact CE-SG 2.98Å; M152-I265 HydrophobicContact CG-CG2 4.22Å; M152-I265 HydrophobicContact SD-CG2 3.84Å; M152-V319 HydrophobicContact CE-CG2 3.9Å; M152-V319 WeakPolarHBondContact O-CG1 3.43Å; M152-M322 HydrophobicContact CB-SD 4.48Å; M152-M322 HydrophobicContact CE-CE 4.11Å; M152-M322 HydrophobicContact CE-SD 3.77Å
153	K	92.1	Very high	95.1	Very high	88 Å²	88	36.5 Å²	36.5	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-28.2	175.5	-73	-180	174.1	-180	0	113	I149 M150 N151 M322 Q323	I149-K153 HydrophobicContact CG2-CD 4.1Å; I149-K153 HydrophobicContact CG2-CG 4.31Å; I149-K153 WeakPolarHBondContact O-CB 3.39Å; I149-K153 VanDerWaalsContact O-CG 3.29Å; I149-K153 WeakPolarHBondContact O-CG 3.32Å; I149-K153 PolarHBondContact O-N 3.28Å; M150-K153 PolarHBondContact O-N 3.42Å; N151-K153 PolarHBondContact O-N 2.93Å; K153-M322 HydrophobicContact CG-CB 4.27Å; K153-M322 WeakPolarHBondContact CG-O 3.42Å; K153-Q323 WeakPolarHBondContact O-CG 3.41Å
154	S	94.2	Very high	94.9	Very high	68 Å²	68	34 Å²	34	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.7	174.4	-62.8	0	0	0	0	113.5	M150 N151 M152 F156	M150-S154 PolarHBondContact O-N 2.84Å; M150-S154 VanDerWaalsContact O-N 3.14Å; M150-S154 PolarHBondContact O-OG 3.08Å; N151-S154 CarbonylContact O-C 3.43Å; N151-S154 WeakPolarHBondContact O-CA 3.44Å; N151-S154 PolarHBondContact O-N 3.27Å; M152-S154 PolarHBondContact O-N 2.94Å; S154-F156 VanDerWaalsContact C-N 3.29Å; S154-F156 VanDerWaalsContact CB-CD2 3.47Å
155	G	95	Very high	94.4	Very high	12 Å²	12	35.6 Å²	35.6	12%	0.124	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	10.2	-177	0	0	0	0	0	114.7	N151 M152 G267 I268	N151-G155 PolarHBondContact O-N 3.37Å; M152-G155 PolarHBondContact O-N 3.37Å; G155-G267 WeakPolarHBondContact O-CA 3.44Å; G155-I268 PolarHBondContact O-N 3.31Å
156	F	97.7	Very high	93.8	Very high	89 Å²	89	35.6 Å²	35.6	39%	0.39	18%	0.181	S	C	.	.			trans	-89.5	146.2	179.6	-63.9	-52.7	0	0	0	112.7	N125 N151 S154 G267	N125-F156 CarbonylContact O-C 3.54Å; N125-F156 VanDerWaalsContact O-CA 3.32Å; N125-F156 WeakPolarHBondContact O-CA 3.15Å; N151-F156 CarbonylContact C-O 3.51Å; N151-F156 HydrophobicContact CB-CB 4.19Å; N151-F156 PolarHBondContact O-N 3.23Å; S154-F156 VanDerWaalsContact C-N 3.29Å; S154-F156 VanDerWaalsContact CB-CD2 3.47Å; F156-G267 WeakPolarHBondContact O-CA 3.47Å; F156-G267 PolarHBondContact O-N 3.07Å
157	H	98.2	Very high	92.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-71.2	148.8	168.3	-41.2	-58.6	0	0	0	110.6	L121 N125 F126 G127 I264 I265 P266 G267 I268 E273	L121-H157 HydrophobicContact CD1-CB 4.39Å; N125-H157 VanDerWaalsContact CB-CD2 3.41Å; N125-H157 WeakPolarHBondContact CB-CD2 3.42Å; N125-H157 VanDerWaalsContact CB-NE2 3.31Å; N125-H157 WeakPolarHBondContact CB-NE2 3.5Å; N125-H157 PolarHBondContact O-CD2 3.44Å; N125-H157 PolarHBondContact O-N 2.93Å; F126-H157 CarbonylContact C-O 3.53Å; F126-H157 WeakPolarHBondContact CA-O 3.49Å; F126-H157 HydrophobicContact CD1-CB 4Å; F126-H157 HydrophobicContact CD2-CB 4.28Å; F126-H157 AromaticContact CD2-CD2 3.98Å; F126-H157 HydrophobicContact CE1-CB 4.03Å; F126-H157 HydrophobicContact CE2-CB 4.31Å; F126-H157 AromaticContact CE2-CD2 3.92Å; F126-H157 HydrophobicContact CG-CB 4.14Å; F126-H157 HydrophobicContact CZ-CB 4.19Å; G127-H157 PolarHBondContact N-O 3.46Å; H157-I264 HydrophobicContact CB-CG2 4.16Å; H157-I265 CarbonylContact C-O 3.55Å; H157-I265 WeakPolarHBondContact CA-O 3.41Å; H157-P266 WeakPolarHBondContact ND1-CA 3.44Å; H157-G267 PolarHBondContact ND1-N 3.37Å; H157-I268 PolarHBondContact CE1-O 2.8Å; H157-E273 IonicContact CE1-OE1 2.93Å; H157-E273 IonicContact CE1-OE2 3.64Å; H157-E273 IonicContact NE2-OE1 3.53Å; H157-E273 PolarHBondContact NE2-OE1 3.12Å; H157-E273 IonicContact NE2-OE2 2.69Å
158	T	98.4	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.6	175.6	-52.1	0	0	0	0	109.5	V130 I148 N151 I264 I265	V130-T158 HydrophobicContact CG1-CG2 3.96Å; V130-T158 HydrophobicContact CG2-CG2 3.85Å; I148-T158 HydrophobicContact CG1-CG2 3.89Å; N151-T158 WeakPolarHBondContact CB-OG1 3.48Å; N151-T158 PolarHBondContact ND2-OG1 2.9Å; T158-I264 VanDerWaalsContact O-CA 3.26Å; T158-I264 WeakPolarHBondContact O-CA 3.39Å; T158-I264 WeakPolarHBondContact O-CG2 3.04Å; T158-I265 PolarHBondContact N-O 2.92Å; T158-I265 PolarHBondContact O-N 2.81Å
159	L	98.4	Very high	91	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.5	163.3	176.5	57.8	0	0	0	108.9	I113 V116 F126 T129 V130 L161 C262 I264	I113-L159 HydrophobicContact CG1-CD2 4.49Å; V116-L159 HydrophobicContact CG1-CD1 3.65Å; V116-L159 HydrophobicContact CG1-CD2 4.34Å; V116-L159 HydrophobicContact CG2-CD2 4.39Å; F126-L159 HydrophobicContact CD1-CB 4.01Å; F126-L159 HydrophobicContact CE1-CB 4.17Å; T129-L159 WeakPolarHBondContact CA-O 3.26Å; T129-L159 HydrophobicContact CG2-CB 4.14Å; T129-L159 HydrophobicContact CG2-CD2 4.16Å; T129-L159 HydrophobicContact CG2-CG 4.05Å; T129-L159 WeakPolarHBondContact CG2-O 3.27Å; V130-L159 PolarHBondContact N-O 3.18Å; L159-L161 HydrophobicContact CD2-CD2 4.18Å; L159-L161 HydrophobicContact CG-CD2 4.19Å; L159-C262 HydrophobicContact CD1-CB 4.38Å; L159-I264 HydrophobicContact CD1-CG1 4.19Å
160	C	98.2	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.1	175	-57.1	0	0	0	0	109.1	V130 I132 L162 M263	V130-C160 HydrophobicContact CG2-CB 3.97Å; V130-C160 VanDerWaalsContact CG2-SG 3.51Å; V130-C160 WeakPolarHBondContact O-CA 3.4Å; I132-C160 HydrophobicContact CD1-CB 3.81Å; I132-C160 HydrophobicContact CG1-CB 4.3Å; C160-L162 HydrophobicContact CB-CD2 4.45Å; C160-M263 WeakPolarHBondContact CA-O 2.97Å; C160-M263 HydrophobicContact CB-CB 4.15Å; C160-M263 HydrophobicContact CB-CE 4.04Å; C160-M263 VanDerWaalsContact CB-O 3.31Å; C160-M263 WeakPolarHBondContact CB-O 3.13Å; C160-M263 PolarHBondContact N-O 2.76Å; C160-M263 PolarHBondContact O-N 2.86Å
161	L	97.2	Very high	89.5	Confident	29 Å²	29	34.4 Å²	34.4	15%	0.152	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.3	169.9	-57.5	175.2	0	0	0	108.7	A87 V112 T129 V130 S131 I132 L159	A87-L161 HydrophobicContact CB-CD1 3.44Å; A87-L161 VanDerWaalsContact CB-CD1 3.44Å; V112-L161 HydrophobicContact CG1-CD2 3.78Å; V112-L161 HydrophobicContact CG2-CD2 4.14Å; T129-L161 HydrophobicContact CG2-CD1 3.84Å; T129-L161 HydrophobicContact CG2-CG 3.89Å; V130-L161 PolarHBondContact O-N 3.45Å; S131-L161 CarbonylContact C-O 3.6Å; S131-L161 WeakPolarHBondContact CA-O 3.42Å; I132-L161 PolarHBondContact N-O 3.11Å; L159-L161 HydrophobicContact CD2-CD2 4.18Å; L159-L161 HydrophobicContact CG-CD2 4.19Å
162	L	96.4	Very high	88.8	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.8	-175.7	-53.1	-171.7	0	0	0	109.9	I132 C160 M187 A192 H261 M263	I132-L162 HydrophobicContact CB-CD2 4.13Å; I132-L162 HydrophobicContact CD1-CD2 3.99Å; I132-L162 HydrophobicContact CG1-CD2 4.33Å; C160-L162 HydrophobicContact CB-CD2 4.45Å; L162-M187 HydrophobicContact CB-CB 4Å; L162-M187 HydrophobicContact CB-CG 4.09Å; L162-M187 HydrophobicContact CB-SD 4.08Å; L162-M187 HydrophobicContact CD1-CG 4.41Å; L162-M187 HydrophobicContact CD2-SD 4.02Å; L162-M187 HydrophobicContact CG-SD 4.47Å; L162-A192 HydrophobicContact CD1-CB 4.04Å; L162-A192 HydrophobicContact CD2-CB 3.51Å; L162-A192 HydrophobicContact CG-CB 4.41Å; L162-H261 HydrophobicContact CD1-CB 3.83Å; L162-M263 HydrophobicContact CD2-CB 4.36Å
163	D	93.2	Very high	88.4	Confident	42 Å²	42	39 Å²	39	23%	0.225	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-68.7	147.5	-171.7	-170.8	29.2	0	0	0	113.7	I132 L134 M187	I132-D163 VanDerWaalsContact O-CB 3.23Å; I132-D163 WeakPolarHBondContact O-CB 3.38Å; I132-D163 PolarHBondContact O-N 2.92Å; I132-D163 VanDerWaalsContact O-N 3.13Å; L134-D163 WeakPolarHBondContact CB-OD2 3.42Å; L134-D163 HydrophobicContact CG-CB 4.17Å; L134-D163 PolarHBondContact N-OD2 3.31Å; D163-M187 HydrophobicContact CB-CE 4.42Å; D163-M187 WeakPolarHBondContact O-CB 3.24Å; D163-M187 PolarHBondContact O-N 3.2Å
164	I	88.9	Confident	87.8	Confident	28 Å²	28	39.2 Å²	39.2	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.5	-175	-62.1	-175.9	0	0	0	107.2	V166 F186 P260	I164-V166 HydrophobicContact CG2-CG2 3.58Å; I164-F186 HydrophobicContact CB-CD1 4.18Å; I164-F186 HydrophobicContact CB-CE1 4.43Å; I164-F186 HydrophobicContact CD1-CD1 4.11Å; I164-F186 HydrophobicContact CD1-CE1 4.45Å; I164-F186 HydrophobicContact CG1-CD1 3.87Å; I164-F186 HydrophobicContact CG1-CE1 4.44Å; I164-F186 HydrophobicContact CG2-CD1 3.57Å; I164-F186 HydrophobicContact CG2-CE1 3.37Å; I164-F186 HydrophobicContact CG2-CZ 4.43Å; I164-P260 HydrophobicContact CD1-CB 4.12Å
165	K	84.8	Confident	87.3	Confident	38 Å²	38	42.5 Å²	42.5	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.8	173.4	-66.2	-174.9	175.7	-177	0	108.2	L134 D136 E168 S184 R185	L134-K165 HydrophobicContact CD1-CD 3.95Å; L134-K165 HydrophobicContact CD1-CG 4.01Å; D136-K165 IonicContact OD2-NZ 3.94Å; K165-E168 HydrophobicContact CB-CG 4.46Å; K165-S184 CarbonylContact O-C 3.41Å; K165-S184 WeakPolarHBondContact O-CA 3.39Å; K165-R185 HydrophobicContact CB-CB 4.44Å; K165-R185 PolarHBondContact N-O 3.35Å; K165-R185 PolarHBondContact O-N 2.85Å
166	V	80.6	Confident	87	Confident	17 Å²	17	48.4 Å²	48.4	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	-121.2	121.1	178.8	175.1	0	0	0	0	109.1	I164 E168 F186	I164-V166 HydrophobicContact CG2-CG2 3.58Å; V166-E168 VanDerWaalsContact C-N 3.26Å; V166-E168 PolarHBondContact O-N 2.69Å; V166-F186 HydrophobicContact CG2-CE1 3.76Å; V166-F186 HydrophobicContact CG2-CZ 3.64Å
167	K	73.3	Confident	86.3	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	24%	0.244	S	C	.	.	S	Bend	trans	47.8	48.6	-177.1	-63	-178	178.8	173.8	0	112.3	Y181	K167-Y181 HydrophobicContact CB-CD1 4.33Å; K167-Y181 WeakPolarHBondContact O-CD1 3.33Å
168	E	74.3	Confident	85.5	Confident	37 Å²	37	55.8 Å²	55.8	17%	0.173	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-95.9	150.9	174.2	-66.4	-173.1	-169.7	0	0	110.7	R58 K165 V166 Y181 E182	R58-E168 IonicContact CZ-OE1 2.62Å; R58-E168 IonicContact NE-OE1 3.97Å; R58-E168 VanDerWaalsContact NH1-CD 3.32Å; R58-E168 IonicContact NH1-OE1 3.23Å; R58-E168 PolarHBondContact NH1-OE1 3.07Å; R58-E168 IonicContact NH1-OE2 3.79Å; R58-E168 IonicContact NH2-OE1 3.01Å; R58-E168 PolarHBondContact NH2-OE1 2.96Å; K165-E168 HydrophobicContact CB-CG 4.46Å; V166-E168 VanDerWaalsContact C-N 3.26Å; V166-E168 PolarHBondContact O-N 2.69Å; E168-Y181 WeakPolarHBondContact O-CA 3.37Å; E168-E182 PolarHBondContact O-N 2.9Å
169	R	75.4	Confident	84.7	Confident	40 Å²	40	62.9 Å²	62.9	15%	0.151	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-88.2	136.9	170.8	-67.7	164.2	63.3	-177.1	-0.1	107.9	N173 I174 D177 R178 Y181	R169-N173 HydrophobicContact CB-CB 4.18Å; R169-N173 PolarHBondContact NH2-O 3.29Å; R169-I174 HydrophobicContact CB-CD1 4.35Å; R169-I174 HydrophobicContact CB-CG1 3.71Å; R169-D177 IonicContact NH1-OD1 3.86Å; R169-D177 VanDerWaalsContact NH2-C 3.25Å; R169-D177 VanDerWaalsContact NH2-CA 3.28Å; R169-D177 IonicContact NH2-OD1 3.7Å; R169-D177 PolarHBondContact NH2-OD1 2.88Å; R169-R178 VanDerWaalsContact CZ-O 3.24Å; R169-R178 PolarHBondContact NE-O 2.74Å; R169-R178 VanDerWaalsContact NH2-N 3.19Å; R169-R178 PolarHBondContact NH2-O 3.25Å; R169-R178 VanDerWaalsContact NH2-O 3.15Å; R169-Y181 HydrophobicContact CG-CD1 3.88Å; R169-Y181 HydrophobicContact CG-CE1 3.92Å
170	S	76.3	Confident	84	Confident	22 Å²	22	66.6 Å²	66.6	15%	0.154	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-58.8	156.3	169.6	71.8	0	0	0	0	111.1	E172 N173 I174 E182	S170-E172 PolarHBondContact O-N 2.97Å; S170-N173 CarbonylContact O-C 3.56Å; S170-N173 WeakPolarHBondContact O-CA 3.37Å; S170-N173 PolarHBondContact O-N 3.48Å; S170-N173 WeakPolarHBondContact OG-CB 3.48Å; S170-N173 PolarHBondContact OG-N 3.46Å; S170-N173 VanDerWaalsContact OG-N 3.11Å; S170-N173 PolarHBondContact OG-ND2 2.98Å; S170-I174 WeakPolarHBondContact O-CG1 3.46Å; S170-I174 PolarHBondContact O-N 2.91Å; S170-E182 WeakPolarHBondContact CB-OE1 3.39Å
171	L	78	Confident	83.1	Confident	76 Å²	76	70.9 Å²	70.9	40%	0.398	34%	0.335	S	S	.	.	H	α-helix	trans	-54.5	-39.8	175.7	-175.4	64.7	0	0	0	111.4	F138 N173 I174 L175	F138-L171 HydrophobicContact CB-CD2 4.23Å; F138-L171 HydrophobicContact CD1-CD2 3.85Å; F138-L171 HydrophobicContact CD2-CB 4.14Å; F138-L171 HydrophobicContact CD2-CD2 3.7Å; F138-L171 HydrophobicContact CE1-CD2 4.12Å; F138-L171 HydrophobicContact CE2-CB 3.98Å; F138-L171 HydrophobicContact CE2-CD2 3.97Å; F138-L171 HydrophobicContact CG-CD2 3.63Å; F138-L171 HydrophobicContact CZ-CD2 4.18Å; L171-N173 PolarHBondContact O-N 3.44Å; L171-I174 PolarHBondContact O-N 3.28Å; L171-L175 HydrophobicContact CD1-CD1 4.48Å; L171-L175 HydrophobicContact CD1-CG 4.41Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.14Å
172	E	82.1	Confident	82.4	Confident	87 Å²	87	73.7 Å²	73.7	41%	0.407	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-45.6	174.2	-174	-174.2	-178.4	0	0	112.2	S170 I174 L175 R176	S170-E172 PolarHBondContact O-N 2.97Å; E172-I174 VanDerWaalsContact C-N 3.32Å; E172-I174 PolarHBondContact O-N 2.82Å; E172-L175 PolarHBondContact O-N 3.28Å; E172-R176 WeakPolarHBondContact O-CB 3.36Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 2.85Å; E172-R176 IonicContact OE1-CZ 3.04Å; E172-R176 IonicContact OE1-NE 3.31Å; E172-R176 IonicContact OE1-NH1 2.61Å; E172-R176 PolarHBondContact OE1-NH1 3.12Å; E172-R176 IonicContact OE1-NH2 3.83Å; E172-R176 PolarHBondContact OE1-NH2 3.48Å
173	N	83.1	Confident	81.7	Confident	18 Å²	18	78.5 Å²	78.5	10%	0.096	38%	0.379	C	S	.	.	H	α-helix	trans	-68.7	-31.3	178.8	-76	-32	0	0	0	112.2	R169 S170 L171 D177 R178 V180	R169-N173 HydrophobicContact CB-CB 4.18Å; R169-N173 PolarHBondContact NH2-O 3.29Å; S170-N173 CarbonylContact O-C 3.56Å; S170-N173 WeakPolarHBondContact O-CA 3.37Å; S170-N173 PolarHBondContact O-N 3.48Å; S170-N173 WeakPolarHBondContact OG-CB 3.48Å; S170-N173 PolarHBondContact OG-N 3.46Å; S170-N173 VanDerWaalsContact OG-N 3.11Å; S170-N173 PolarHBondContact OG-ND2 2.98Å; L171-N173 PolarHBondContact O-N 3.44Å; N173-D177 PolarHBondContact O-N 3.04Å; N173-R178 HydrophobicContact CB-CB 4.23Å; N173-R178 PolarHBondContact O-N 3.24Å; N173-V180 PolarHBondContact ND2-O 2.74Å
174	I	80.6	Confident	81.4	Confident	92 Å²	92	79.3 Å²	79.3	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-66.5	-53	171	-65.4	169.9	0	0	0	109.8	R169 S170 L171 E172 R176 D177	R169-I174 HydrophobicContact CB-CD1 4.35Å; R169-I174 HydrophobicContact CB-CG1 3.71Å; S170-I174 WeakPolarHBondContact O-CG1 3.46Å; S170-I174 PolarHBondContact O-N 2.91Å; L171-I174 PolarHBondContact O-N 3.28Å; E172-I174 VanDerWaalsContact C-N 3.32Å; E172-I174 PolarHBondContact O-N 2.82Å; I174-R176 PolarHBondContact O-N 3.3Å; I174-D177 PolarHBondContact O-N 3.11Å
175	L	83.8	Confident	81.4	Confident	137 Å²	137	83.5 Å²	83.5	72%	0.717	40%	0.403	S	S	*	.	H	α-helix	trans	-61	-28.9	-178.1	-71.6	172.5	0	0	0	113.3	L171 E172	L171-L175 HydrophobicContact CD1-CD1 4.48Å; L171-L175 HydrophobicContact CD1-CG 4.41Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.14Å; E172-L175 PolarHBondContact O-N 3.28Å
176	R	87.8	Confident	81.8	Confident	137 Å²	137	84.4 Å²	84.4	52%	0.517	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.6	178	-66.9	-175.3	175.1	163.7	7.1	114.4	E172 I174 R178	E172-R176 WeakPolarHBondContact O-CB 3.36Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 2.85Å; E172-R176 IonicContact OE1-CZ 3.04Å; E172-R176 IonicContact OE1-NE 3.31Å; E172-R176 IonicContact OE1-NH1 2.61Å; E172-R176 PolarHBondContact OE1-NH1 3.12Å; E172-R176 IonicContact OE1-NH2 3.83Å; E172-R176 PolarHBondContact OE1-NH2 3.48Å; I174-R176 PolarHBondContact O-N 3.3Å; R176-R178 HydrophobicContact CB-CG 4.01Å; R176-R178 PolarHBondContact O-N 3.42Å
177	D	82.3	Confident	82.5	Confident	127 Å²	127	83.7 Å²	83.7	68%	0.679	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.1	-174.7	-158.2	25	0	0	0	115.2	R169 N173 I174	R169-D177 IonicContact NH1-OD1 3.86Å; R169-D177 VanDerWaalsContact NH2-C 3.25Å; R169-D177 VanDerWaalsContact NH2-CA 3.28Å; R169-D177 IonicContact NH2-OD1 3.7Å; R169-D177 PolarHBondContact NH2-OD1 2.88Å; N173-D177 PolarHBondContact O-N 3.04Å; I174-D177 PolarHBondContact O-N 3.11Å
178	R	83.2	Confident	83.5	Confident	117 Å²	117	80.2 Å²	80.2	44%	0.442	39%	0.392	S	S	.	.			trans	-92.4	122.2	176.4	-63.7	178	-178	176.7	-2.1	110.5	R169 N173 R176 V180	R169-R178 VanDerWaalsContact CZ-O 3.24Å; R169-R178 PolarHBondContact NE-O 2.74Å; R169-R178 VanDerWaalsContact NH2-N 3.19Å; R169-R178 PolarHBondContact NH2-O 3.25Å; R169-R178 VanDerWaalsContact NH2-O 3.15Å; N173-R178 HydrophobicContact CB-CB 4.23Å; N173-R178 PolarHBondContact O-N 3.24Å; R176-R178 HydrophobicContact CB-CG 4.01Å; R176-R178 PolarHBondContact O-N 3.42Å; R178-V180 HydrophobicContact CB-CG2 4.2Å; R178-V180 PolarHBondContact O-N 2.93Å
179	K	81.7	Confident	84.5	Confident	148 Å²	148	78.4 Å²	78.4	64%	0.643	38%	0.384	S	S	*	.			trans	-77.7	56.5	171.3	-64.2	-170.1	174.9	-165.1	0	111.9
180	V	82	Confident	85.4	Confident	80 Å²	80	77.1 Å²	77.1	49%	0.485	38%	0.381	S	S	.	.			trans	-110.6	113.3	176.7	177.9	0	0	0	0	107.8	N173 R178	N173-V180 PolarHBondContact ND2-O 2.74Å; R178-V180 HydrophobicContact CB-CG2 4.2Å; R178-V180 PolarHBondContact O-N 2.93Å
181	Y	80.9	Confident	86.3	Confident	91 Å²	91	77.8 Å²	77.8	36%	0.357	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-93.7	138.9	-178.4	-59.8	-80.1	0	0	0	110.4	E59 K167 E168 R169	E59-Y181 PolarHBondContact OE2-OH 3.4Å; K167-Y181 HydrophobicContact CB-CD1 4.33Å; K167-Y181 WeakPolarHBondContact O-CD1 3.33Å; E168-Y181 WeakPolarHBondContact O-CA 3.37Å; R169-Y181 HydrophobicContact CG-CD1 3.88Å; R169-Y181 HydrophobicContact CG-CE1 3.92Å
182	E	80.8	Confident	87.2	Confident	87 Å²	87	74.2 Å²	74.2	41%	0.407	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-81.1	154.1	177.6	-62	-166.1	133.3	0	0	111.4	E168 S170	E168-E182 PolarHBondContact O-N 2.9Å; S170-E182 WeakPolarHBondContact CB-OE1 3.39Å
183	P	83.6	Confident	87.8	Confident	114 Å²	114	70 Å²	70	74%	0.74	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-54.1	143.4	168.1	-22.5	32.3	0	0	0	111.2	R185	P183-R185 PolarHBondContact O-N 2.72Å
184	S	86.3	Confident	88.4	Confident	60 Å²	60	71.3 Å²	71.3	42%	0.42	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-60.7	134.4	179	-54.6	0	0	0	0	111.5	K165	K165-S184 CarbonylContact O-C 3.41Å; K165-S184 WeakPolarHBondContact O-CA 3.39Å
185	R	89.5	Confident	89.1	Confident	116 Å²	116	67.1 Å²	67.1	44%	0.438	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.9	175.7	-66.5	-175.1	63.5	-165.6	-5.2	109.7	L134 K165 P183 E191	L134-R185 HydrophobicContact CD1-CB 4.01Å; K165-R185 HydrophobicContact CB-CB 4.44Å; K165-R185 PolarHBondContact N-O 3.35Å; K165-R185 PolarHBondContact O-N 2.85Å; P183-R185 PolarHBondContact O-N 2.72Å; R185-E191 IonicContact NH2-OE1 3.95Å
186	F	91.9	Very high	89.6	Confident	56 Å²	56	61 Å²	61	25%	0.246	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.1	176.7	-56.5	-86	0	0	0	107.6	I37 I164 V166 S188 P259	I37-F186 HydrophobicContact CD1-CD1 3.72Å; I37-F186 HydrophobicContact CD1-CD2 4.09Å; I37-F186 HydrophobicContact CD1-CE1 3.41Å; I37-F186 VanDerWaalsContact CD1-CE1 3.41Å; I37-F186 HydrophobicContact CD1-CE2 3.8Å; I37-F186 HydrophobicContact CD1-CG 4.07Å; I37-F186 HydrophobicContact CD1-CZ 3.46Å; I37-F186 VanDerWaalsContact CD1-CZ 3.46Å; I37-F186 HydrophobicContact CG1-CD1 3.89Å; I37-F186 HydrophobicContact CG1-CE1 3.16Å; I37-F186 HydrophobicContact CG1-CE2 4.22Å; I37-F186 HydrophobicContact CG1-CZ 3.37Å; I164-F186 HydrophobicContact CB-CD1 4.18Å; I164-F186 HydrophobicContact CB-CE1 4.43Å; I164-F186 HydrophobicContact CD1-CD1 4.11Å; I164-F186 HydrophobicContact CD1-CE1 4.45Å; I164-F186 HydrophobicContact CG1-CD1 3.87Å; I164-F186 HydrophobicContact CG1-CE1 4.44Å; I164-F186 HydrophobicContact CG2-CD1 3.57Å; I164-F186 HydrophobicContact CG2-CE1 3.37Å; I164-F186 HydrophobicContact CG2-CZ 4.43Å; V166-F186 HydrophobicContact CG2-CE1 3.76Å; V166-F186 HydrophobicContact CG2-CZ 3.64Å; F186-S188 PolarHBondContact O-N 2.83Å; F186-P259 HydrophobicContact CB-CB 3.53Å; F186-P259 HydrophobicContact CB-CG 3.94Å; F186-P259 HydrophobicContact CD1-CB 4.15Å; F186-P259 HydrophobicContact CD2-CB 4.23Å; F186-P259 HydrophobicContact CD2-CG 3.86Å; F186-P259 HydrophobicContact CG-CB 3.71Å; F186-P259 HydrophobicContact CG-CG 3.88Å
187	M	94.8	Very high	89.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	27%	0.272	C	S	.	.			trans	-63.9	128.2	177.5	175	179.8	-69.5	0	0	110	I132 P133 L134 L162 D163 E191 A192 Q195	I132-M187 HydrophobicContact CB-SD 4.02Å; I132-M187 HydrophobicContact CG2-CE 4Å; I132-M187 HydrophobicContact CG2-SD 3.72Å; I132-M187 VanDerWaalsContact O-CE 3.3Å; I132-M187 WeakPolarHBondContact O-CE 3.25Å; I132-M187 VanDerWaalsContact O-SD 3.39Å; P133-M187 WeakPolarHBondContact O-CE 3.42Å; L134-M187 HydrophobicContact CB-CE 4.39Å; L134-M187 HydrophobicContact CD2-CB 3.9Å; L134-M187 HydrophobicContact CD2-CE 3.78Å; L134-M187 HydrophobicContact CD2-CG 4.39Å; L134-M187 HydrophobicContact CG-CB 4.21Å; L134-M187 HydrophobicContact CG-CE 3.95Å; L162-M187 HydrophobicContact CB-CB 4Å; L162-M187 HydrophobicContact CB-CG 4.09Å; L162-M187 HydrophobicContact CB-SD 4.08Å; L162-M187 HydrophobicContact CD1-CG 4.41Å; L162-M187 HydrophobicContact CD2-SD 4.02Å; L162-M187 HydrophobicContact CG-SD 4.47Å; D163-M187 HydrophobicContact CB-CE 4.42Å; D163-M187 WeakPolarHBondContact O-CB 3.24Å; D163-M187 PolarHBondContact O-N 3.2Å; M187-E191 HydrophobicContact CG-CB 4.31Å; M187-E191 HydrophobicContact CG-CG 4.46Å; M187-A192 HydrophobicContact CG-CB 4.2Å; M187-A192 HydrophobicContact SD-CB 3.66Å; M187-Q195 VanDerWaalsContact CE-NE2 3.27Å
188	S	94.8	Very high	90.4	Very high	39 Å²	39	51.2 Å²	51.2	27%	0.273	25%	0.253	S	S	.	.			trans	-82.2	157.9	173	70.7	0	0	0	0	111.5	F186 C190 E191 A192	F186-S188 PolarHBondContact O-N 2.83Å; S188-C190 VanDerWaalsContact C-N 3.26Å; S188-C190 PolarHBondContact O-N 3.16Å; S188-E191 PolarHBondContact O-N 2.85Å; S188-E191 WeakPolarHBondContact OG-CB 2.98Å; S188-E191 PolarHBondContact OG-N 3.28Å; S188-A192 PolarHBondContact O-N 3.07Å
189	C	95.8	Very high	90.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-37.3	172.1	-64.9	0	0	0	0	113.2	A192 V193 C223 F256 H261	C189-A192 PolarHBondContact O-N 2.9Å; C189-V193 WeakPolarHBondContact O-CG2 3.38Å; C189-V193 PolarHBondContact O-N 3.24Å; C189-C223 HydrophobicContact CB-CB 3.85Å; C189-C223 WeakPolarHBondContact CB-SG 3.21Å; C189-C223 WeakPolarHBondContact SG-CB 3.12Å; C189-F256 HydrophobicContact CB-CD1 4.39Å; C189-F256 HydrophobicContact CB-CG 4.46Å; C189-H261 PolarHBondContact N-ND1 2.85Å
190	C	94.2	Very high	91.3	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.088	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-46.3	176.3	-97	0	0	0	0	112.4	S188 V193 H194 I242 Y246 F256	S188-C190 VanDerWaalsContact C-N 3.26Å; S188-C190 PolarHBondContact O-N 3.16Å; C190-V193 PolarHBondContact O-N 2.97Å; C190-H194 WeakPolarHBondContact O-CB 3.49Å; C190-H194 PolarHBondContact O-N 3.3Å; C190-I242 HydrophobicContact CB-CG2 4.36Å; C190-I242 PolarHBondContact SG-O 3.14Å; C190-I242 VanDerWaalsContact SG-O 3.34Å; C190-Y246 HydrophobicContact CB-CD2 4.04Å; C190-Y246 HydrophobicContact CB-CG 4.48Å; C190-F256 HydrophobicContact CB-CE2 4.31Å; C190-F256 WeakPolarHBondContact SG-CE2 3.33Å
191	E	95	Very high	91.6	Very high	36 Å²	36	38.4 Å²	38.4	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.6	-173.5	175.3	-170.9	0	0	111.2	L134 R185 M187 S188 H194 Q195 Y246	L134-E191 VanDerWaalsContact CD2-OE1 3.22Å; L134-E191 WeakPolarHBondContact CD2-OE1 3.19Å; R185-E191 IonicContact NH2-OE1 3.95Å; M187-E191 HydrophobicContact CG-CB 4.31Å; M187-E191 HydrophobicContact CG-CG 4.46Å; S188-E191 PolarHBondContact O-N 2.85Å; S188-E191 WeakPolarHBondContact OG-CB 2.98Å; S188-E191 PolarHBondContact OG-N 3.28Å; E191-H194 WeakPolarHBondContact O-CB 3.32Å; E191-H194 PolarHBondContact O-N 2.99Å; E191-Q195 WeakPolarHBondContact O-CG 3.37Å; E191-Q195 PolarHBondContact O-N 3.26Å; E191-Y246 HydrophobicContact CB-CD2 4.37Å; E191-Y246 HydrophobicContact CB-CE2 3.97Å; E191-Y246 HydrophobicContact CG-CE2 4.22Å
192	A	96.7	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176	0	0	0	0	0	112.6	I132 L162 M187 S188 C189 H194 Q195 I196 M263	I132-A192 HydrophobicContact CD1-CB 4.16Å; I132-A192 HydrophobicContact CG2-CB 4.47Å; L162-A192 HydrophobicContact CD1-CB 4.04Å; L162-A192 HydrophobicContact CD2-CB 3.51Å; L162-A192 HydrophobicContact CG-CB 4.41Å; M187-A192 HydrophobicContact CG-CB 4.2Å; M187-A192 HydrophobicContact SD-CB 3.66Å; S188-A192 PolarHBondContact O-N 3.07Å; C189-A192 PolarHBondContact O-N 2.9Å; A192-H194 VanDerWaalsContact C-N 3.32Å; A192-H194 PolarHBondContact O-N 3.42Å; A192-Q195 PolarHBondContact O-N 2.83Å; A192-I196 WeakPolarHBondContact O-CG1 3.31Å; A192-I196 PolarHBondContact O-N 2.82Å; A192-I196 VanDerWaalsContact O-N 3.08Å; A192-M263 HydrophobicContact CB-CE 3.92Å; A192-M263 HydrophobicContact CB-SD 4.34Å
193	V	95.9	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-41.6	175.8	170.4	0	0	0	0	110.9	C189 C190 Q195 I196 V197 V221 I239 I242 N243 M263	C189-V193 WeakPolarHBondContact O-CG2 3.38Å; C189-V193 PolarHBondContact O-N 3.24Å; C190-V193 PolarHBondContact O-N 2.97Å; V193-Q195 VanDerWaalsContact C-N 3.35Å; V193-Q195 PolarHBondContact O-N 3.49Å; V193-I196 WeakPolarHBondContact O-CB 3.39Å; V193-I196 PolarHBondContact O-N 3.39Å; V193-V197 HydrophobicContact CG1-CG2 4.34Å; V193-V197 WeakPolarHBondContact O-CG2 3.19Å; V193-V197 PolarHBondContact O-N 3.14Å; V193-V221 HydrophobicContact CG2-CG1 4.44Å; V193-V221 HydrophobicContact CG2-CG2 4.09Å; V193-I239 HydrophobicContact CG1-CB 4.42Å; V193-I239 HydrophobicContact CG1-CG1 4.47Å; V193-I239 HydrophobicContact CG1-CG2 4.01Å; V193-I239 WeakPolarHBondContact CG1-O 3.39Å; V193-I242 HydrophobicContact CB-CB 4.35Å; V193-I242 HydrophobicContact CB-CG2 3.74Å; V193-I242 HydrophobicContact CG1-CB 4.12Å; V193-I242 HydrophobicContact CG1-CG2 4.03Å; V193-I242 HydrophobicContact CG2-CB 4.2Å; V193-I242 HydrophobicContact CG2-CG2 3.66Å; V193-N243 HydrophobicContact CG1-CB 4.11Å; V193-M263 HydrophobicContact CG2-CE 4.44Å; V193-M263 HydrophobicContact CG2-SD 3.46Å; V193-M263 WeakPolarHBondContact CG2-SD 3.41Å
194	H	95	Very high	92	Very high	44 Å²	44	32.5 Å²	32.5	20%	0.204	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-45.2	177.6	-176.7	63.9	0	0	0	112	C190 E191 A192 I196 V197 D198 N243 Y246	C190-H194 WeakPolarHBondContact O-CB 3.49Å; C190-H194 PolarHBondContact O-N 3.3Å; E191-H194 WeakPolarHBondContact O-CB 3.32Å; E191-H194 PolarHBondContact O-N 2.99Å; A192-H194 VanDerWaalsContact C-N 3.32Å; A192-H194 PolarHBondContact O-N 3.42Å; H194-I196 VanDerWaalsContact C-N 3.35Å; H194-I196 PolarHBondContact O-N 2.93Å; H194-V197 PolarHBondContact O-N 2.85Å; H194-D198 WeakPolarHBondContact O-CB 3.35Å; H194-D198 PolarHBondContact O-N 3.42Å; H194-N243 WeakPolarHBondContact CA-OD1 3.25Å; H194-N243 PolarHBondContact ND1-OD1 3.19Å; H194-Y246 HydrophobicContact CB-CD1 3.54Å; H194-Y246 HydrophobicContact CB-CD2 4.21Å; H194-Y246 HydrophobicContact CB-CE1 3.77Å; H194-Y246 HydrophobicContact CB-CE2 4.39Å; H194-Y246 HydrophobicContact CB-CG 3.77Å; H194-Y246 AromaticContact CD2-CD1 3.74Å; H194-Y246 AromaticContact CD2-CE1 3.15Å; H194-Y246 WeakPolarHBondContact CD2-CE1 3.43Å; H194-Y246 AromaticContact CD2-CZ 3.68Å; H194-Y246 AromaticContact CE1-CE1 3.86Å; H194-Y246 AromaticContact CG-CD1 3.29Å; H194-Y246 AromaticContact CG-CE1 3.24Å; H194-Y246 AromaticContact CG-CZ 3.96Å; H194-Y246 AromaticContact ND1-CD1 3.51Å; H194-Y246 AromaticContact ND1-CE1 3.7Å; H194-Y246 AromaticContact NE2-CE1 3.55Å
195	Q	95.6	Very high	91	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-42	174.7	-68.8	-170.9	22	0	0	112.3	P133 W135 F144 M187 E191 A192 V193 V197 D198 V199	P133-Q195 PolarHBondContact O-NE2 3.37Å; P133-Q195 PolarHBondContact O-OE1 3.35Å; P133-Q195 VanDerWaalsContact O-OE1 3.12Å; W135-Q195 HydrophobicContact CD2-CG 3.82Å; W135-Q195 HydrophobicContact CE3-CG 3.84Å; W135-Q195 HydrophobicContact CG-CG 4.42Å; W135-Q195 HydrophobicContact CH2-CB 4.05Å; W135-Q195 HydrophobicContact CH2-CG 4.22Å; W135-Q195 HydrophobicContact CZ2-CB 3.99Å; W135-Q195 HydrophobicContact CZ2-CG 4.18Å; W135-Q195 HydrophobicContact CZ3-CB 4.33Å; W135-Q195 HydrophobicContact CZ3-CG 4.06Å; F144-Q195 HydrophobicContact CZ-CB 4.31Å; M187-Q195 VanDerWaalsContact CE-NE2 3.27Å; E191-Q195 WeakPolarHBondContact O-CG 3.37Å; E191-Q195 PolarHBondContact O-N 3.26Å; A192-Q195 PolarHBondContact O-N 2.83Å; V193-Q195 VanDerWaalsContact C-N 3.35Å; V193-Q195 PolarHBondContact O-N 3.49Å; Q195-V197 VanDerWaalsContact C-N 3.34Å; Q195-V197 PolarHBondContact O-N 3.5Å; Q195-D198 PolarHBondContact O-N 3.37Å; Q195-V199 VanDerWaalsContact O-CG2 3.3Å; Q195-V199 WeakPolarHBondContact O-CG2 3.26Å; Q195-V199 PolarHBondContact O-N 3.36Å
196	I	94.9	Very high	90.1	Very high	8 Å²	8	36 Å²	36	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-46.3	175.6	-70.1	169.6	0	0	0	110.6	I132 F144 Y145 I148 A192 V193 H194 D198 S200 M263	I132-I196 HydrophobicContact CD1-CD1 3.96Å; I132-I196 HydrophobicContact CD1-CG1 4.33Å; F144-I196 HydrophobicContact CD2-CG1 4.46Å; F144-I196 HydrophobicContact CE2-CG1 3.91Å; Y145-I196 HydrophobicContact CD2-CG2 4.22Å; Y145-I196 HydrophobicContact CE2-CG2 4.23Å; I148-I196 HydrophobicContact CD1-CD1 3.89Å; I148-I196 HydrophobicContact CD1-CG1 4.2Å; A192-I196 WeakPolarHBondContact O-CG1 3.31Å; A192-I196 PolarHBondContact O-N 2.82Å; A192-I196 VanDerWaalsContact O-N 3.08Å; V193-I196 WeakPolarHBondContact O-CB 3.39Å; V193-I196 PolarHBondContact O-N 3.39Å; H194-I196 VanDerWaalsContact C-N 3.35Å; H194-I196 PolarHBondContact O-N 2.93Å; I196-D198 VanDerWaalsContact C-N 3.35Å; I196-S200 VanDerWaalsContact O-CB 3.24Å; I196-S200 WeakPolarHBondContact O-CB 3.29Å; I196-S200 PolarHBondContact O-N 3.03Å; I196-M263 HydrophobicContact CD1-CE 3.4Å
197	V	93.9	Very high	88.7	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-42	179.3	170.6	0	0	0	0	111.1	V193 H194 Q195 S200 N201 I239 N243	V193-V197 HydrophobicContact CG1-CG2 4.34Å; V193-V197 WeakPolarHBondContact O-CG2 3.19Å; V193-V197 PolarHBondContact O-N 3.14Å; H194-V197 PolarHBondContact O-N 2.85Å; Q195-V197 VanDerWaalsContact C-N 3.34Å; Q195-V197 PolarHBondContact O-N 3.5Å; V197-S200 WeakPolarHBondContact O-CB 3.13Å; V197-S200 PolarHBondContact O-N 3.28Å; V197-N201 PolarHBondContact O-N 3.19Å; V197-N201 PolarHBondContact O-ND2 3.18Å; V197-N201 VanDerWaalsContact O-ND2 3.11Å; V197-I239 HydrophobicContact CG2-CG2 3.46Å; V197-I239 VanDerWaalsContact CG2-CG2 3.46Å; V197-N243 HydrophobicContact CG2-CB 4.13Å
198	D	92.6	Very high	87.5	Confident	50 Å²	50	46.9 Å²	46.9	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-48.9	179.6	-167.9	-103.4	0	0	0	111.8	W135 H194 Q195 I196 S200 N201 R202	W135-D198 HydrophobicContact CH2-CB 4.03Å; W135-D198 HydrophobicContact CZ3-CB 4.12Å; H194-D198 WeakPolarHBondContact O-CB 3.35Å; H194-D198 PolarHBondContact O-N 3.42Å; Q195-D198 PolarHBondContact O-N 3.37Å; I196-D198 VanDerWaalsContact C-N 3.35Å; D198-S200 VanDerWaalsContact C-N 3.28Å; D198-S200 PolarHBondContact O-N 3.08Å; D198-N201 PolarHBondContact O-N 3.02Å; D198-R202 WeakPolarHBondContact O-CG 3.39Å; D198-R202 PolarHBondContact O-N 3.29Å; D198-R202 IonicContact OD1-CZ 2.95Å; D198-R202 IonicContact OD1-NE 2.74Å; D198-R202 IonicContact OD1-NH1 2.77Å; D198-R202 PolarHBondContact OD1-NH1 3.05Å
199	V	92.3	Very high	86.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-43.5	172.6	177.4	0	0	0	0	110.9	W135 E142 F144 Y145 Q195 N201 R202 K203	W135-V199 HydrophobicContact CH2-CG2 3.82Å; W135-V199 HydrophobicContact CZ2-CG2 3.56Å; E142-V199 HydrophobicContact CB-CG1 3.85Å; E142-V199 HydrophobicContact CB-CG2 3.76Å; F144-V199 HydrophobicContact CZ-CG2 4.14Å; Y145-V199 HydrophobicContact CD1-CG1 3.92Å; Y145-V199 HydrophobicContact CD2-CB 4.14Å; Y145-V199 HydrophobicContact CD2-CG1 3.89Å; Y145-V199 HydrophobicContact CG-CB 4.26Å; Y145-V199 HydrophobicContact CG-CG1 3.53Å; Q195-V199 VanDerWaalsContact O-CG2 3.3Å; Q195-V199 WeakPolarHBondContact O-CG2 3.26Å; Q195-V199 PolarHBondContact O-N 3.36Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.96Å; V199-R202 PolarHBondContact O-N 3.43Å; V199-K203 HydrophobicContact CG1-CD 4.18Å; V199-K203 HydrophobicContact CG1-CG 4.33Å; V199-K203 PolarHBondContact O-N 2.95Å
200	S	91.2	Very high	85	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-44.3	178.6	-162.7	0	0	0	0	112.2	Y145 I196 V197 D198 A204 A213 T216	Y145-S200 WeakPolarHBondContact OH-CB 3.41Å; Y145-S200 PolarHBondContact OH-OG 3.33Å; I196-S200 VanDerWaalsContact O-CB 3.24Å; I196-S200 WeakPolarHBondContact O-CB 3.29Å; I196-S200 PolarHBondContact O-N 3.03Å; V197-S200 WeakPolarHBondContact O-CB 3.13Å; V197-S200 PolarHBondContact O-N 3.28Å; D198-S200 VanDerWaalsContact C-N 3.28Å; D198-S200 PolarHBondContact O-N 3.08Å; S200-A204 PolarHBondContact O-N 3.37Å; S200-A213 WeakPolarHBondContact OG-CA 3.49Å; S200-A213 WeakPolarHBondContact OG-CB 3.47Å; S200-T216 PolarHBondContact OG-OG1 2.96Å
201	N	88.5	Confident	83.7	Confident	74 Å²	74	58.1 Å²	58.1	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-40	177.4	-65.3	-37.9	0	0	0	111.7	V197 D198 V199 A204 K217	V197-N201 PolarHBondContact O-N 3.19Å; V197-N201 PolarHBondContact O-ND2 3.18Å; V197-N201 VanDerWaalsContact O-ND2 3.11Å; D198-N201 PolarHBondContact O-N 3.02Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.96Å; N201-A204 WeakPolarHBondContact O-CB 3.45Å; N201-A204 PolarHBondContact O-N 3.32Å; N201-K217 WeakPolarHBondContact OD1-CE 3.45Å; N201-K217 PolarHBondContact OD1-NZ 3.17Å
202	R	87.1	Confident	82.4	Confident	97 Å²	97	57.6 Å²	57.6	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178.5	-68.1	-170	-52.1	-130.2	9.5	112.5	E142 D198 V199 A204	E142-R202 IonicContact OE2-NH2 3.79Å; E142-R202 PolarHBondContact OE2-NH2 2.59Å; D198-R202 WeakPolarHBondContact O-CG 3.39Å; D198-R202 PolarHBondContact O-N 3.29Å; D198-R202 IonicContact OD1-CZ 2.95Å; D198-R202 IonicContact OD1-NE 2.74Å; D198-R202 IonicContact OD1-NH1 2.77Å; D198-R202 PolarHBondContact OD1-NH1 3.05Å; V199-R202 PolarHBondContact O-N 3.43Å; R202-A204 PolarHBondContact O-N 3.17Å
203	K	85.6	Confident	81.4	Confident	57 Å²	57	57.7 Å²	57.7	25%	0.248	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.9	179.1	-68.5	-165.7	179.6	-155.1	0	114.2	E142 Y145 D146 V199 E205 S209	E142-K203 WeakPolarHBondContact OE1-CE 3.3Å; E142-K203 IonicContact OE1-NZ 3.18Å; Y145-K203 HydrophobicContact CD1-CD 3.91Å; Y145-K203 HydrophobicContact CE1-CD 4.04Å; D146-K203 IonicContact OD1-NZ 3.18Å; D146-K203 PolarHBondContact OD1-NZ 2.98Å; D146-K203 IonicContact OD2-NZ 2.69Å; D146-K203 PolarHBondContact OD2-NZ 3.25Å; V199-K203 HydrophobicContact CG1-CD 4.18Å; V199-K203 HydrophobicContact CG1-CG 4.33Å; V199-K203 PolarHBondContact O-N 2.95Å; K203-E205 PolarHBondContact O-N 3.34Å; K203-S209 VanDerWaalsContact O-CB 3.31Å; K203-S209 WeakPolarHBondContact O-CB 3.22Å
204	A	80.2	Confident	80	Confident	14 Å²	14	63.3 Å²	63.3	12%	0.116	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	37	-176.7	0	0	0	0	0	114.1	S200 N201 R202 R210 A213	S200-A204 PolarHBondContact O-N 3.37Å; N201-A204 WeakPolarHBondContact O-CB 3.45Å; N201-A204 PolarHBondContact O-N 3.32Å; R202-A204 PolarHBondContact O-N 3.17Å; A204-R210 HydrophobicContact CB-CB 4.49Å; A204-R210 HydrophobicContact CB-CG 3.82Å; A204-R210 WeakPolarHBondContact O-CG 3.42Å; A204-R210 PolarHBondContact O-NE 2.82Å; A204-A213 HydrophobicContact CB-CB 4.04Å
205	E	66.1	Low	78.6	Confident	169 Å²	169	62.4 Å²	62.4	79%	0.79	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-33.4	-175.6	-65.4	-170.9	161.2	0	0	112.6	K203	K203-E205 PolarHBondContact O-N 3.34Å
206	D	69.1	Low	77.7	Confident	82 Å²	82	62.7 Å²	62.7	44%	0.439	30%	0.299	S	S	.	.	S	Bend	trans	-98	160.8	174.6	75.9	64.6	0	0	0	112.9	Q208 S209 R210	D206-Q208 VanDerWaalsContact C-N 3.28Å; D206-Q208 PolarHBondContact O-N 2.91Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.2Å; D206-Q208 VanDerWaalsContact OD1-CB 3.32Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.41Å; D206-Q208 PolarHBondContact OD1-N 3.15Å; D206-S209 VanDerWaalsContact CG-OG 3.24Å; D206-S209 PolarHBondContact O-N 3.42Å; D206-S209 WeakPolarHBondContact OD1-CB 3.5Å; D206-S209 PolarHBondContact OD1-N 2.84Å; D206-S209 PolarHBondContact OD1-OG 2.98Å; D206-S209 WeakPolarHBondContact OD2-CB 3.3Å; D206-S209 PolarHBondContact OD2-OG 3.33Å; D206-R210 WeakPolarHBondContact O-CG 3.38Å; D206-R210 PolarHBondContact O-N 3.39Å
207	Q	63.7	Low	77.1	Confident	176 Å²	176	65.6 Å²	65.6	82%	0.822	31%	0.311	S	S	*	.	H	α-helix	trans	-60.1	-35.4	-177.3	-72.8	-172.4	-10.6	0	0	113.4	K211	Q207-K211 PolarHBondContact O-N 3.45Å
208	Q	69	Low	76.7	Confident	111 Å²	111	67 Å²	67	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-72.6	-40.9	-179.4	-172.5	64.5	17	0	0	110.5	D206 K211 N212	D206-Q208 VanDerWaalsContact C-N 3.28Å; D206-Q208 PolarHBondContact O-N 2.91Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.2Å; D206-Q208 VanDerWaalsContact OD1-CB 3.32Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.41Å; D206-Q208 PolarHBondContact OD1-N 3.15Å; Q208-K211 PolarHBondContact O-N 2.75Å; Q208-N212 WeakPolarHBondContact O-CB 3.27Å; Q208-N212 VanDerWaalsContact O-CG 3.23Å; Q208-N212 PolarHBondContact O-N 3.47Å; Q208-N212 PolarHBondContact O-ND2 2.81Å
209	S	69.1	Low	76.8	Confident	35 Å²	35	64.6 Å²	64.6	25%	0.245	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-37.9	175.2	-64.9	0	0	0	0	111.4	K203 D206 N212 A213	K203-S209 VanDerWaalsContact O-CB 3.31Å; K203-S209 WeakPolarHBondContact O-CB 3.22Å; D206-S209 VanDerWaalsContact CG-OG 3.24Å; D206-S209 PolarHBondContact O-N 3.42Å; D206-S209 WeakPolarHBondContact OD1-CB 3.5Å; D206-S209 PolarHBondContact OD1-N 2.84Å; D206-S209 PolarHBondContact OD1-OG 2.98Å; D206-S209 WeakPolarHBondContact OD2-CB 3.3Å; D206-S209 PolarHBondContact OD2-OG 3.33Å; S209-N212 PolarHBondContact O-N 2.91Å; S209-A213 VanDerWaalsContact O-CB 3.25Å; S209-A213 WeakPolarHBondContact O-CB 3.31Å; S209-A213 PolarHBondContact O-N 3.5Å
210	R	69.2	Low	77	Confident	144 Å²	144	64.6 Å²	64.6	54%	0.543	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-46.9	169.8	-71.4	179.7	-172.9	-179.7	3.7	112.6	A204 D206 N212 A213 I214	A204-R210 HydrophobicContact CB-CB 4.49Å; A204-R210 HydrophobicContact CB-CG 3.82Å; A204-R210 WeakPolarHBondContact O-CG 3.42Å; A204-R210 PolarHBondContact O-NE 2.82Å; D206-R210 WeakPolarHBondContact O-CG 3.38Å; D206-R210 PolarHBondContact O-N 3.39Å; R210-N212 VanDerWaalsContact C-N 3.33Å; R210-N212 PolarHBondContact O-N 2.89Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-I214 VanDerWaalsContact O-CG1 3.31Å; R210-I214 WeakPolarHBondContact O-CG1 3.49Å; R210-I214 PolarHBondContact O-N 3.43Å
211	K	66.3	Low	77.2	Confident	108 Å²	108	64.5 Å²	64.5	47%	0.47	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-47.6	178.3	-174.7	177.6	177.4	-174.7	0	110.2	Q207 Q208 A213 I214 I215	Q207-K211 PolarHBondContact O-N 3.45Å; Q208-K211 PolarHBondContact O-N 2.75Å; K211-A213 PolarHBondContact O-N 3.18Å; K211-I214 PolarHBondContact O-N 3Å; K211-I215 HydrophobicContact CD-CD1 4.45Å; K211-I215 HydrophobicContact CG-CD1 3.68Å; K211-I215 WeakPolarHBondContact O-CB 3.36Å; K211-I215 WeakPolarHBondContact O-CD1 3.37Å; K211-I215 WeakPolarHBondContact O-CG1 3.46Å; K211-I215 PolarHBondContact O-N 3.36Å
212	N	69.5	Low	77.7	Confident	25 Å²	25	61 Å²	61	13%	0.134	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-45.3	176.1	-68	-17.8	0	0	0	111.9	Q208 S209 R210 I214 I215 T216	Q208-N212 WeakPolarHBondContact O-CB 3.27Å; Q208-N212 VanDerWaalsContact O-CG 3.23Å; Q208-N212 PolarHBondContact O-N 3.47Å; Q208-N212 PolarHBondContact O-ND2 2.81Å; S209-N212 PolarHBondContact O-N 2.91Å; R210-N212 VanDerWaalsContact C-N 3.33Å; R210-N212 PolarHBondContact O-N 2.89Å; N212-I214 VanDerWaalsContact C-N 3.34Å; N212-I214 PolarHBondContact O-N 3.04Å; N212-I215 PolarHBondContact O-N 2.7Å; N212-T216 WeakPolarHBondContact O-CG2 3.32Å; N212-T216 PolarHBondContact O-N 3.23Å; N212-T216 PolarHBondContact O-OG1 2.92Å
213	A	74.8	Confident	78.2	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-33.1	-179.1	0	0	0	0	0	113.9	S200 A204 S209 R210 K211 T216	S200-A213 WeakPolarHBondContact OG-CA 3.49Å; S200-A213 WeakPolarHBondContact OG-CB 3.47Å; A204-A213 HydrophobicContact CB-CB 4.04Å; S209-A213 VanDerWaalsContact O-CB 3.25Å; S209-A213 WeakPolarHBondContact O-CB 3.31Å; S209-A213 PolarHBondContact O-N 3.5Å; R210-A213 PolarHBondContact O-N 2.95Å; K211-A213 PolarHBondContact O-N 3.18Å; A213-T216 WeakPolarHBondContact CA-OG1 3.29Å; A213-T216 PolarHBondContact O-OG1 3.33Å
214	I	66.3	Low	78.7	Confident	117 Å²	117	53.8 Å²	53.8	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-71.9	-44	174.3	-68.3	166.6	0	0	0	109.7	R210 K211 N212 K217	R210-I214 VanDerWaalsContact O-CG1 3.31Å; R210-I214 WeakPolarHBondContact O-CG1 3.49Å; R210-I214 PolarHBondContact O-N 3.43Å; K211-I214 PolarHBondContact O-N 3Å; N212-I214 VanDerWaalsContact C-N 3.34Å; N212-I214 PolarHBondContact O-N 3.04Å; I214-K217 WeakPolarHBondContact O-CB 3.45Å; I214-K217 PolarHBondContact O-N 3.29Å
215	I	65.1	Low	79.4	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-37	-178.3	-70.6	172.5	0	0	0	111.3	K211 N212 K217 S218 T318 I321 M322	K211-I215 HydrophobicContact CD-CD1 4.45Å; K211-I215 HydrophobicContact CG-CD1 3.68Å; K211-I215 WeakPolarHBondContact O-CB 3.36Å; K211-I215 WeakPolarHBondContact O-CD1 3.37Å; K211-I215 WeakPolarHBondContact O-CG1 3.46Å; K211-I215 PolarHBondContact O-N 3.36Å; N212-I215 PolarHBondContact O-N 2.7Å; I215-K217 PolarHBondContact O-N 2.9Å; I215-S218 PolarHBondContact O-N 3.16Å; I215-S218 PolarHBondContact O-OG 3.27Å; I215-T318 HydrophobicContact CG2-CG2 3.12Å; I215-I321 HydrophobicContact CD1-CG2 4.26Å; I215-M322 HydrophobicContact CB-CE 4.29Å; I215-M322 HydrophobicContact CG2-CE 3.68Å
216	T	77.4	Confident	80.7	Confident	11 Å²	11	46.3 Å²	46.3	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-25.4	177.4	47.8	0	0	0	0	112.7	I149 S200 N212 A213 S218 C219 I239 M322	I149-T216 HydrophobicContact CD1-CG2 4.09Å; S200-T216 PolarHBondContact OG-OG1 2.96Å; N212-T216 WeakPolarHBondContact O-CG2 3.32Å; N212-T216 PolarHBondContact O-N 3.23Å; N212-T216 PolarHBondContact O-OG1 2.92Å; A213-T216 WeakPolarHBondContact CA-OG1 3.29Å; A213-T216 PolarHBondContact O-OG1 3.33Å; T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 2.88Å; T216-C219 VanDerWaalsContact O-CB 3.31Å; T216-C219 WeakPolarHBondContact O-CB 3.49Å; T216-C219 PolarHBondContact O-N 3.28Å; T216-C219 VanDerWaalsContact O-N 3.12Å; T216-I239 WeakPolarHBondContact O-CD1 3.45Å; T216-M322 HydrophobicContact CG2-CE 3.51Å
217	K	82.8	Confident	81.8	Confident	70 Å²	70	43.1 Å²	43.1	30%	0.304	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.3	177.8	-68.8	176.4	-176	179.5	0	112.9	N201 I214 I215 C219 S240	N201-K217 WeakPolarHBondContact OD1-CE 3.45Å; N201-K217 PolarHBondContact OD1-NZ 3.17Å; I214-K217 WeakPolarHBondContact O-CB 3.45Å; I214-K217 PolarHBondContact O-N 3.29Å; I215-K217 PolarHBondContact O-N 2.9Å; K217-C219 VanDerWaalsContact C-N 3.35Å; K217-S240 WeakPolarHBondContact O-CB 3.44Å; K217-S240 PolarHBondContact O-N 3.26Å
218	S	85.4	Confident	83.1	Confident	36 Å²	36	36.7 Å²	36.7	25%	0.252	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.1	175.5	51.3	0	0	0	0	113.9	I215 T216	I215-S218 PolarHBondContact O-N 3.16Å; I215-S218 PolarHBondContact O-OG 3.27Å; T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 2.88Å
219	C	94	Very high	84.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-68.3	147.8	178.8	-71.1	0	0	0	0	112.2	M152 T216 K217 T238 I239 H315 T318	M152-C219 HydrophobicContact CE-CB 4.48Å; M152-C219 WeakPolarHBondContact CE-SG 2.98Å; T216-C219 VanDerWaalsContact O-CB 3.31Å; T216-C219 WeakPolarHBondContact O-CB 3.49Å; T216-C219 PolarHBondContact O-N 3.28Å; T216-C219 VanDerWaalsContact O-N 3.12Å; K217-C219 VanDerWaalsContact C-N 3.35Å; C219-T238 CarbonylContact O-C 3.6Å; C219-T238 WeakPolarHBondContact O-CA 3.33Å; C219-I239 HydrophobicContact CB-CD1 4.11Å; C219-I239 PolarHBondContact O-N 3.25Å; C219-H315 WeakPolarHBondContact CA-ND1 3.43Å; C219-T318 WeakPolarHBondContact SG-CG2 3.26Å
220	I	96.2	Very high	85.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.7	169.7	-71.4	173.1	0	0	0	110.1	I222 V236 S237 P266 I269 T311 I312 H315	I220-I222 HydrophobicContact CG2-CG1 4.23Å; I220-V236 HydrophobicContact CG2-CG1 3.56Å; I220-S237 CarbonylContact C-O 3.59Å; I220-S237 WeakPolarHBondContact CA-O 3.41Å; I220-P266 HydrophobicContact CG2-CG 4.09Å; I220-P266 WeakPolarHBondContact O-CD 3.49Å; I220-I269 HydrophobicContact CD1-CD1 4.03Å; I220-T311 HydrophobicContact CD1-CG2 4.13Å; I220-T311 HydrophobicContact CG1-CG2 3.94Å; I220-I312 HydrophobicContact CD1-CB 4.15Å; I220-I312 HydrophobicContact CD1-CG1 3.59Å; I220-H315 HydrophobicContact CB-CB 4.36Å; I220-H315 HydrophobicContact CD1-CB 3.92Å; I220-H315 HydrophobicContact CG1-CB 3.91Å; I220-H315 PolarHBondContact N-ND1 2.95Å; I220-H315 VanDerWaalsContact N-ND1 3.1Å
221	V	96.8	Very high	86.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.7	167.5	47.5	0	0	0	0	107.9	V193 S237 I239 I242 M263 I264 I265	V193-V221 HydrophobicContact CG2-CG1 4.44Å; V193-V221 HydrophobicContact CG2-CG2 4.09Å; V221-S237 WeakPolarHBondContact CG1-O 3.05Å; V221-S237 PolarHBondContact N-O 3.27Å; V221-S237 PolarHBondContact O-N 3.07Å; V221-I239 HydrophobicContact CB-CG1 4.28Å; V221-I239 HydrophobicContact CG1-CG1 4.14Å; V221-I242 HydrophobicContact CB-CD1 4.49Å; V221-I242 HydrophobicContact CG1-CD1 3.4Å; V221-I242 VanDerWaalsContact CG1-CD1 3.4Å; V221-I242 HydrophobicContact CG1-CG1 3.99Å; V221-I242 HydrophobicContact CG2-CD1 4.3Å; V221-M263 HydrophobicContact CG2-CG 3.35Å; V221-M263 HydrophobicContact CG2-SD 3.42Å; V221-M263 WeakPolarHBondContact CG2-SD 3.43Å; V221-I264 WeakPolarHBondContact CA-O 3.38Å; V221-I265 HydrophobicContact CB-CD1 3.84Å; V221-I265 HydrophobicContact CG2-CD1 3.84Å
222	I	97.5	Very high	87.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.9	175.5	-51.7	175.6	0	0	0	107.8	C119 L121 I220 L224 I234 V235 V236 M263 I264 P266 L277	C119-I222 HydrophobicContact CB-CG2 4.03Å; L121-I222 HydrophobicContact CD1-CD1 3.58Å; L121-I222 HydrophobicContact CD2-CD1 4.37Å; L121-I222 HydrophobicContact CG-CD1 3.91Å; I220-I222 HydrophobicContact CG2-CG1 4.23Å; I222-L224 HydrophobicContact CG2-CD1 4.09Å; I222-L224 HydrophobicContact CG2-CG 4.3Å; I222-L224 WeakPolarHBondContact O-CD1 3.1Å; I222-I234 HydrophobicContact CG2-CG2 3.71Å; I222-V235 CarbonylContact C-O 3.56Å; I222-V235 WeakPolarHBondContact CA-O 3.13Å; I222-V236 HydrophobicContact CG1-CG1 4.27Å; I222-V236 HydrophobicContact CG1-CG2 4.32Å; I222-V236 HydrophobicContact CG2-CG2 4.34Å; I222-M263 CarbonylContact O-C 3.59Å; I222-M263 WeakPolarHBondContact O-CA 3.4Å; I222-I264 HydrophobicContact CB-CB 4.22Å; I222-I264 PolarHBondContact N-O 2.91Å; I222-I264 PolarHBondContact O-N 3.1Å; I222-P266 HydrophobicContact CD1-CG 4.08Å; I222-P266 HydrophobicContact CG1-CG 4.2Å; I222-L277 HydrophobicContact CD1-CD2 3.78Å
223	C	97.3	Very high	88.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.5	177.8	-60.2	0	0	0	0	109.2	C189 I234 V235 I242 F256	C189-C223 HydrophobicContact CB-CB 3.85Å; C189-C223 WeakPolarHBondContact CB-SG 3.21Å; C189-C223 WeakPolarHBondContact SG-CB 3.12Å; C223-I234 CarbonylContact O-C 3.51Å; C223-I234 WeakPolarHBondContact O-CA 3.23Å; C223-V235 HydrophobicContact CB-CB 4.3Å; C223-V235 PolarHBondContact N-O 3.26Å; C223-V235 PolarHBondContact O-N 3.13Å; C223-I242 WeakPolarHBondContact SG-CD1 3.32Å; C223-F256 HydrophobicContact CB-CD1 3.56Å; C223-F256 HydrophobicContact CB-CE1 3.87Å
224	L	96.8	Very high	89.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.3	178.1	-49.5	91.7	0	0	0	108.9	C119 I222 L227 K233 I234 H261 C262 I264	C119-L224 HydrophobicContact CB-CD2 3.98Å; I222-L224 HydrophobicContact CG2-CD1 4.09Å; I222-L224 HydrophobicContact CG2-CG 4.3Å; I222-L224 WeakPolarHBondContact O-CD1 3.1Å; L224-L227 HydrophobicContact CB-CD1 4.47Å; L224-L227 HydrophobicContact CB-CD2 3.96Å; L224-L227 HydrophobicContact CB-CG 4.23Å; L224-L227 HydrophobicContact CD2-CD1 4.33Å; L224-L227 HydrophobicContact CD2-CD2 3.78Å; L224-K233 WeakPolarHBondContact CA-O 3.5Å; L224-I234 HydrophobicContact CD2-CG1 4.4Å; L224-H261 CarbonylContact O-C 3.56Å; L224-H261 WeakPolarHBondContact O-CA 3.46Å; L224-C262 PolarHBondContact N-O 3.28Å; L224-C262 PolarHBondContact O-N 3.46Å; L224-C262 VanDerWaalsContact O-O 3.06Å; L224-I264 HydrophobicContact CD1-CD1 3.53Å; L224-I264 HydrophobicContact CD1-CG1 3.71Å; L224-I264 HydrophobicContact CD2-CD1 4.35Å
225	S	95.2	Very high	90.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	175	66	0	0	0	0	111.1	L227 Q232 K233 F256 P260 H261	S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.32Å; S225-Q232 WeakPolarHBondContact O-CA 3.16Å; S225-Q232 WeakPolarHBondContact O-CG 3.39Å; S225-K233 PolarHBondContact N-O 3.32Å; S225-K233 PolarHBondContact O-N 3.17Å; S225-K233 VanDerWaalsContact O-N 3.13Å; S225-F256 WeakPolarHBondContact CB-O 3.18Å; S225-F256 PolarHBondContact OG-O 2.88Å; S225-P260 WeakPolarHBondContact CA-O 3.44Å; S225-H261 WeakPolarHBondContact CB-CD2 3.3Å
226	R	92.7	Very high	92.4	Very high	26 Å²	26	26 Å²	26	10%	0.098	15%	0.146	C	C	.	.	S	Bend	trans	50	50.6	175.6	-57.2	-174.3	-66.3	-142.6	0.7	112.6	G228 C229 N231 Q232 D258 P259 P260	R226-G228 PolarHBondContact O-N 2.94Å; R226-C229 HydrophobicContact CB-CB 3.84Å; R226-C229 WeakPolarHBondContact O-CB 3.49Å; R226-C229 PolarHBondContact O-N 3.46Å; R226-N231 WeakPolarHBondContact CD-OD1 3.32Å; R226-N231 PolarHBondContact NE-ND2 3.4Å; R226-N231 PolarHBondContact NE-O 2.84Å; R226-N231 PolarHBondContact NE-OD1 2.85Å; R226-N231 PolarHBondContact NH1-ND2 2.8Å; R226-N231 VanDerWaalsContact NH2-CG 3.32Å; R226-N231 PolarHBondContact NH2-ND2 2.98Å; R226-N231 PolarHBondContact NH2-O 2.99Å; R226-Q232 WeakPolarHBondContact O-CB 3.32Å; R226-D258 VanDerWaalsContact CG-O 3.26Å; R226-D258 WeakPolarHBondContact CG-O 2.97Å; R226-D258 IonicContact CZ-OD2 3.69Å; R226-D258 IonicContact NH1-OD2 3.86Å; R226-D258 PolarHBondContact NH1-OD2 2.74Å; R226-P259 WeakPolarHBondContact CG-O 3.15Å; R226-P260 PolarHBondContact N-O 3.44Å
227	L	93.4	Very high	93.2	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.073	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.9	177.8	-72.6	-176.7	0	0	0	110.5	L9 V112 A115 V116 C118 L224 S225 C229 Q232	L9-L227 WeakPolarHBondContact CB-O 3.43Å; L9-L227 HydrophobicContact CD1-CB 4.41Å; V112-L227 HydrophobicContact CG2-CD1 4.11Å; A115-L227 HydrophobicContact CB-CD1 4.31Å; V116-L227 HydrophobicContact CG1-CD1 3.79Å; C118-L227 VanDerWaalsContact SG-CD2 3.52Å; L224-L227 HydrophobicContact CB-CD1 4.47Å; L224-L227 HydrophobicContact CB-CD2 3.96Å; L224-L227 HydrophobicContact CB-CG 4.23Å; L224-L227 HydrophobicContact CD2-CD1 4.33Å; L224-L227 HydrophobicContact CD2-CD2 3.78Å; S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.32Å; L227-C229 VanDerWaalsContact C-N 3.29Å; L227-C229 PolarHBondContact O-N 3.02Å; L227-Q232 VanDerWaalsContact CA-OE1 3.26Å; L227-Q232 VanDerWaalsContact CD2-CD 3.5Å; L227-Q232 HydrophobicContact CD2-CG 4Å
228	G	90.7	Very high	93.7	Very high	42 Å²	42	23.2 Å²	23.2	43%	0.433	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-11.6	-176.9	0	0	0	0	0	115.4	R226	R226-G228 PolarHBondContact O-N 2.94Å
229	C	90.6	Very high	94.2	Very high	30 Å²	30	21.8 Å²	21.8	20%	0.203	12%	0.124	C	C	.	.	S	Bend	trans	-83.5	154.7	174.3	-57.6	0	0	0	0	112	R226 L227 N231 Q232	R226-C229 HydrophobicContact CB-CB 3.84Å; R226-C229 WeakPolarHBondContact O-CB 3.49Å; R226-C229 PolarHBondContact O-N 3.46Å; L227-C229 VanDerWaalsContact C-N 3.29Å; L227-C229 PolarHBondContact O-N 3.02Å; C229-N231 VanDerWaalsContact CB-OD1 3.29Å; C229-N231 WeakPolarHBondContact CB-OD1 3.33Å; C229-N231 PolarHBondContact O-N 3.25Å; C229-N231 VanDerWaalsContact O-N 3.08Å; C229-Q232 VanDerWaalsContact O-CB 3.26Å; C229-Q232 WeakPolarHBondContact O-CB 3.31Å; C229-Q232 PolarHBondContact O-N 2.87Å
230	D	89	Confident	94.1	Very high	142 Å²	142	24.5 Å²	24.5	76%	0.759	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	175.8	-67.6	-26.7	0	0	0	113.8	I289	D230-I289 WeakPolarHBondContact O-CD1 3.4Å
231	N	90.5	Very high	93.9	Very high	75 Å²	75	25.3 Å²	25.3	40%	0.401	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	23.7	178.6	64.4	-0.6	0	0	0	112.6	R226 C229	R226-N231 WeakPolarHBondContact CD-OD1 3.32Å; R226-N231 PolarHBondContact NE-ND2 3.4Å; R226-N231 PolarHBondContact NE-O 2.84Å; R226-N231 PolarHBondContact NE-OD1 2.85Å; R226-N231 PolarHBondContact NH1-ND2 2.8Å; R226-N231 VanDerWaalsContact NH2-CG 3.32Å; R226-N231 PolarHBondContact NH2-ND2 2.98Å; R226-N231 PolarHBondContact NH2-O 2.99Å; C229-N231 VanDerWaalsContact CB-OD1 3.29Å; C229-N231 WeakPolarHBondContact CB-OD1 3.33Å; C229-N231 PolarHBondContact O-N 3.25Å; C229-N231 VanDerWaalsContact O-N 3.08Å
232	Q	93.5	Very high	93.7	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.079	15%	0.147	C	C	.	.			trans	-50.3	142	170.7	-179.2	-179.5	-65.1	0	0	111	C118 S225 R226 L227 C229 F290	C118-Q232 PolarHBondContact SG-NE2 3.12Å; C118-Q232 VanDerWaalsContact SG-NE2 3.39Å; S225-Q232 WeakPolarHBondContact O-CA 3.16Å; S225-Q232 WeakPolarHBondContact O-CG 3.39Å; R226-Q232 WeakPolarHBondContact O-CB 3.32Å; L227-Q232 VanDerWaalsContact CA-OE1 3.26Å; L227-Q232 VanDerWaalsContact CD2-CD 3.5Å; L227-Q232 HydrophobicContact CD2-CG 4Å; C229-Q232 VanDerWaalsContact O-CB 3.26Å; C229-Q232 WeakPolarHBondContact O-CB 3.31Å; C229-Q232 PolarHBondContact O-N 2.87Å; Q232-F290 HydrophobicContact CB-CD1 4.24Å; Q232-F290 HydrophobicContact CB-CE1 4.25Å
233	K	94.3	Very high	93.6	Very high	64 Å²	64	26.4 Å²	26.4	28%	0.278	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.3	170.5	-64.4	-174.8	176.4	-177.9	0	111.8	L224 S225 N255	L224-K233 WeakPolarHBondContact CA-O 3.5Å; S225-K233 PolarHBondContact N-O 3.32Å; S225-K233 PolarHBondContact O-N 3.17Å; S225-K233 VanDerWaalsContact O-N 3.13Å; K233-N255 PolarHBondContact NZ-ND2 2.91Å; K233-N255 PolarHBondContact NZ-OD1 2.96Å
234	I	95.7	Very high	93.3	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.7	172.7	-52.2	180	0	0	0	107.5	C119 I222 C223 L224 F290 P292 I293	C119-I234 HydrophobicContact CB-CD1 4.19Å; C119-I234 HydrophobicContact CB-CG2 4.02Å; I222-I234 HydrophobicContact CG2-CG2 3.71Å; C223-I234 CarbonylContact O-C 3.51Å; C223-I234 WeakPolarHBondContact O-CA 3.23Å; L224-I234 HydrophobicContact CD2-CG1 4.4Å; I234-F290 WeakPolarHBondContact CD1-O 3.13Å; I234-P292 HydrophobicContact CB-CB 4.41Å; I234-P292 HydrophobicContact CG2-CB 3.82Å; I234-P292 HydrophobicContact CG2-CG 4.04Å; I234-I293 PolarHBondContact O-N 3.2Å
235	V	94.8	Very high	93	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.8	-180	-179.6	0	0	0	0	108.7	I222 C223 F256 I293	I222-V235 CarbonylContact C-O 3.56Å; I222-V235 WeakPolarHBondContact CA-O 3.13Å; C223-V235 HydrophobicContact CB-CB 4.3Å; C223-V235 PolarHBondContact N-O 3.26Å; C223-V235 PolarHBondContact O-N 3.13Å; V235-F256 HydrophobicContact CB-CD1 4.01Å; V235-F256 HydrophobicContact CB-CE1 4.22Å; V235-F256 HydrophobicContact CG1-CD1 4.24Å; V235-F256 HydrophobicContact CG1-CE1 3.98Å; V235-F256 HydrophobicContact CG2-CD1 4.17Å; V235-I293 CarbonylContact C-O 3.53Å; V235-I293 WeakPolarHBondContact CA-O 3.44Å
236	V	95.3	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	176.8	-169.3	0	0	0	0	108.1	I220 I222 L277 P292 I293 F294 Y295	I220-V236 HydrophobicContact CG2-CG1 3.56Å; I222-V236 HydrophobicContact CG1-CG1 4.27Å; I222-V236 HydrophobicContact CG1-CG2 4.32Å; I222-V236 HydrophobicContact CG2-CG2 4.34Å; V236-L277 HydrophobicContact CG2-CD2 4.04Å; V236-P292 HydrophobicContact CG2-CB 3.59Å; V236-I293 PolarHBondContact N-O 2.62Å; V236-F294 HydrophobicContact CB-CD1 3.99Å; V236-F294 HydrophobicContact CB-CD2 4.01Å; V236-F294 HydrophobicContact CB-CE1 3.95Å; V236-F294 HydrophobicContact CB-CE2 3.98Å; V236-F294 HydrophobicContact CB-CG 4.03Å; V236-F294 HydrophobicContact CB-CZ 3.94Å; V236-F294 HydrophobicContact CG1-CD1 3.9Å; V236-F294 HydrophobicContact CG1-CD2 4.43Å; V236-F294 HydrophobicContact CG1-CE1 3.39Å; V236-F294 HydrophobicContact CG1-CE2 4Å; V236-F294 HydrophobicContact CG1-CG 4.39Å; V236-F294 HydrophobicContact CG1-CZ 3.45Å; V236-F294 VanDerWaalsContact CG1-CZ 3.45Å; V236-F294 HydrophobicContact CG2-CD2 4.36Å; V236-F294 HydrophobicContact CG2-CE2 4.16Å; V236-F294 HydrophobicContact CG2-CZ 4.42Å; V236-F294 CarbonylContact O-C 3.45Å; V236-F294 VanDerWaalsContact O-CA 3.28Å; V236-F294 WeakPolarHBondContact O-CA 3.47Å; V236-Y295 PolarHBondContact O-N 2.9Å
237	S	94.2	Very high	92.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	175.5	-179.8	-171.7	0	0	0	0	110	I220 V221 D241 Y295	I220-S237 CarbonylContact C-O 3.59Å; I220-S237 WeakPolarHBondContact CA-O 3.41Å; V221-S237 WeakPolarHBondContact CG1-O 3.05Å; V221-S237 PolarHBondContact N-O 3.27Å; V221-S237 PolarHBondContact O-N 3.07Å; S237-D241 VanDerWaalsContact OG-CB 3.3Å; S237-D241 WeakPolarHBondContact OG-CB 3.38Å; S237-Y295 PolarHBondContact OG-O 2.97Å
238	T	94.1	Very high	92.8	Very high	20 Å²	20	39.9 Å²	39.9	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	153.8	168.8	70.9	0	0	0	0	111.4	C219 S240 D241 I242 T311	C219-T238 CarbonylContact O-C 3.6Å; C219-T238 WeakPolarHBondContact O-CA 3.33Å; T238-S240 PolarHBondContact O-N 3.13Å; T238-D241 PolarHBondContact O-N 3.33Å; T238-D241 WeakPolarHBondContact OG1-CB 3.47Å; T238-D241 PolarHBondContact OG1-N 2.92Å; T238-D241 VanDerWaalsContact OG1-N 3.1Å; T238-D241 PolarHBondContact OG1-OD2 3.14Å; T238-I242 PolarHBondContact O-N 3.22Å; T238-I242 VanDerWaalsContact O-N 3.13Å; T238-T311 HydrophobicContact CG2-CG2 3.78Å
239	I	94.8	Very high	92.6	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-54.4	-40.6	171.5	-80.9	174.5	0	0	0	110.6	V193 V197 T216 C219 V221 N243 I265	V193-I239 HydrophobicContact CG1-CB 4.42Å; V193-I239 HydrophobicContact CG1-CG1 4.47Å; V193-I239 HydrophobicContact CG1-CG2 4.01Å; V193-I239 WeakPolarHBondContact CG1-O 3.39Å; V197-I239 HydrophobicContact CG2-CG2 3.46Å; V197-I239 VanDerWaalsContact CG2-CG2 3.46Å; T216-I239 WeakPolarHBondContact O-CD1 3.45Å; C219-I239 HydrophobicContact CB-CD1 4.11Å; C219-I239 PolarHBondContact O-N 3.25Å; V221-I239 HydrophobicContact CB-CG1 4.28Å; V221-I239 HydrophobicContact CG1-CG1 4.14Å; I239-N243 VanDerWaalsContact O-CB 3.25Å; I239-N243 WeakPolarHBondContact O-CB 3.39Å; I239-N243 PolarHBondContact O-N 2.93Å; I239-I265 HydrophobicContact CD1-CD1 4.27Å
240	S	92.3	Very high	92.4	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-51.4	177.7	-171.3	0	0	0	0	112.1	K217 T238 N243 E244	K217-S240 WeakPolarHBondContact O-CB 3.44Å; K217-S240 PolarHBondContact O-N 3.26Å; T238-S240 PolarHBondContact O-N 3.13Å; S240-N243 PolarHBondContact O-N 2.69Å; S240-E244 PolarHBondContact O-N 3.39Å
241	D	92	Very high	92.1	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-41.8	-177.6	-69.3	-44	0	0	0	111.9	S237 T238 E244 A245 Y295 T297	S237-D241 VanDerWaalsContact OG-CB 3.3Å; S237-D241 WeakPolarHBondContact OG-CB 3.38Å; T238-D241 PolarHBondContact O-N 3.33Å; T238-D241 WeakPolarHBondContact OG1-CB 3.47Å; T238-D241 PolarHBondContact OG1-N 2.92Å; T238-D241 VanDerWaalsContact OG1-N 3.1Å; T238-D241 PolarHBondContact OG1-OD2 3.14Å; D241-E244 PolarHBondContact O-N 2.84Å; D241-A245 PolarHBondContact O-N 2.58Å; D241-Y295 HydrophobicContact CB-CD1 4.45Å; D241-T297 HydrophobicContact CB-CG2 4.25Å; D241-T297 WeakPolarHBondContact OD1-CB 3.42Å; D241-T297 WeakPolarHBondContact OD1-CG2 3.44Å; D241-T297 PolarHBondContact OD1-OG1 2.98Å
242	I	93.7	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-39.4	178	-62.4	-161.6	0	0	0	111.1	C190 V193 V221 C223 T238 E244 A245 Y246 L254 F256	C190-I242 HydrophobicContact CB-CG2 4.36Å; C190-I242 PolarHBondContact SG-O 3.14Å; C190-I242 VanDerWaalsContact SG-O 3.34Å; V193-I242 HydrophobicContact CB-CB 4.35Å; V193-I242 HydrophobicContact CB-CG2 3.74Å; V193-I242 HydrophobicContact CG1-CB 4.12Å; V193-I242 HydrophobicContact CG1-CG2 4.03Å; V193-I242 HydrophobicContact CG2-CB 4.2Å; V193-I242 HydrophobicContact CG2-CG2 3.66Å; V221-I242 HydrophobicContact CB-CD1 4.49Å; V221-I242 HydrophobicContact CG1-CD1 3.4Å; V221-I242 VanDerWaalsContact CG1-CD1 3.4Å; V221-I242 HydrophobicContact CG1-CG1 3.99Å; V221-I242 HydrophobicContact CG2-CD1 4.3Å; C223-I242 WeakPolarHBondContact SG-CD1 3.32Å; T238-I242 PolarHBondContact O-N 3.22Å; T238-I242 VanDerWaalsContact O-N 3.13Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-A245 WeakPolarHBondContact O-CB 3.39Å; I242-A245 PolarHBondContact O-N 3.14Å; I242-Y246 PolarHBondContact O-N 3.07Å; I242-L254 HydrophobicContact CG1-CD1 4.4Å; I242-F256 HydrophobicContact CD1-CE1 3.86Å; I242-F256 HydrophobicContact CD1-CZ 4Å; I242-F256 HydrophobicContact CG1-CE1 4.49Å; I242-F256 HydrophobicContact CG1-CZ 4.22Å; I242-F256 HydrophobicContact CG2-CZ 4.06Å
243	N	93.8	Very high	90.7	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-35.9	174.9	-175.4	64.1	0	0	0	111.5	V193 H194 V197 I239 S240 A245 Y246 L247	V193-N243 HydrophobicContact CG1-CB 4.11Å; H194-N243 WeakPolarHBondContact CA-OD1 3.25Å; H194-N243 PolarHBondContact ND1-OD1 3.19Å; V197-N243 HydrophobicContact CG2-CB 4.13Å; I239-N243 VanDerWaalsContact O-CB 3.25Å; I239-N243 WeakPolarHBondContact O-CB 3.39Å; I239-N243 PolarHBondContact O-N 2.93Å; S240-N243 PolarHBondContact O-N 2.69Å; N243-A245 VanDerWaalsContact C-N 3.34Å; N243-Y246 PolarHBondContact O-N 3.3Å; N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.11Å
244	E	91.6	Very high	90.1	Very high	60 Å²	60	48 Å²	48	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-38.3	174.2	-160.4	-172.9	159.5	0	0	112	S240 D241 I242 Y246 L247 N248 N252	S240-E244 PolarHBondContact O-N 3.39Å; D241-E244 PolarHBondContact O-N 2.84Å; I242-E244 VanDerWaalsContact C-N 3.32Å; E244-Y246 VanDerWaalsContact C-N 3.33Å; E244-L247 PolarHBondContact O-N 3.43Å; E244-N248 PolarHBondContact O-N 2.88Å; E244-N248 PolarHBondContact O-ND2 2.89Å; E244-N252 VanDerWaalsContact CG-ND2 3.33Å; E244-N252 WeakPolarHBondContact CG-ND2 3.4Å; E244-N252 PolarHBondContact OE1-ND2 2.86Å
245	A	91.3	Very high	89.6	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-35.2	173.6	0	0	0	0	0	113	D241 I242 N243 P249 N252 L254	D241-A245 PolarHBondContact O-N 2.58Å; I242-A245 WeakPolarHBondContact O-CB 3.39Å; I242-A245 PolarHBondContact O-N 3.14Å; N243-A245 VanDerWaalsContact C-N 3.34Å; A245-P249 WeakPolarHBondContact O-CA 3.43Å; A245-N252 HydrophobicContact CB-CB 4.34Å; A245-N252 WeakPolarHBondContact CB-O 3.37Å; A245-L254 HydrophobicContact CB-CB 4.11Å; A245-L254 HydrophobicContact CB-CD1 3.59Å; A245-L254 HydrophobicContact CB-CG 4.06Å
246	Y	92.2	Very high	89.3	Confident	92 Å²	92	53.2 Å²	53.2	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-45.6	172.6	178.5	-93.5	0	0	0	111.9	C190 E191 H194 I242 N243 E244	C190-Y246 HydrophobicContact CB-CD2 4.04Å; C190-Y246 HydrophobicContact CB-CG 4.48Å; E191-Y246 HydrophobicContact CB-CD2 4.37Å; E191-Y246 HydrophobicContact CB-CE2 3.97Å; E191-Y246 HydrophobicContact CG-CE2 4.22Å; H194-Y246 HydrophobicContact CB-CD1 3.54Å; H194-Y246 HydrophobicContact CB-CD2 4.21Å; H194-Y246 HydrophobicContact CB-CE1 3.77Å; H194-Y246 HydrophobicContact CB-CE2 4.39Å; H194-Y246 HydrophobicContact CB-CG 3.77Å; H194-Y246 AromaticContact CD2-CD1 3.74Å; H194-Y246 AromaticContact CD2-CE1 3.15Å; H194-Y246 WeakPolarHBondContact CD2-CE1 3.43Å; H194-Y246 AromaticContact CD2-CZ 3.68Å; H194-Y246 AromaticContact CE1-CE1 3.86Å; H194-Y246 AromaticContact CG-CD1 3.29Å; H194-Y246 AromaticContact CG-CE1 3.24Å; H194-Y246 AromaticContact CG-CZ 3.96Å; H194-Y246 AromaticContact ND1-CD1 3.51Å; H194-Y246 AromaticContact ND1-CE1 3.7Å; H194-Y246 AromaticContact NE2-CE1 3.55Å; I242-Y246 PolarHBondContact O-N 3.07Å; N243-Y246 PolarHBondContact O-N 3.3Å; E244-Y246 VanDerWaalsContact C-N 3.33Å
247	L	92.4	Very high	89.1	Confident	95 Å²	95	53.8 Å²	53.8	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-73.4	-29.5	-176.9	-68.4	173.6	0	0	0	113.2	N243 E244	N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.11Å; E244-L247 PolarHBondContact O-N 3.43Å
248	N	91.5	Very high	89	Confident	76 Å²	76	58.7 Å²	58.7	41%	0.406	32%	0.315	S	S	.	.			trans	-132.4	63.9	-176.1	-56	-85.1	0	0	0	111.3	E244 E250 K251 N252	E244-N248 PolarHBondContact O-N 2.88Å; E244-N248 PolarHBondContact O-ND2 2.89Å; N248-E250 PolarHBondContact O-N 3.43Å; N248-K251 HydrophobicContact CB-CB 4.29Å; N248-K251 PolarHBondContact O-N 3.04Å; N248-N252 PolarHBondContact O-N 3.04Å
249	P	87.1	Confident	88.8	Confident	84 Å²	84	59.9 Å²	59.9	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-28.6	-172.1	25.4	-34.8	0	0	0	113.3	A245 K251 G253	A245-P249 WeakPolarHBondContact O-CA 3.43Å; P249-K251 VanDerWaalsContact C-N 3.31Å; P249-K251 PolarHBondContact O-N 3.37Å; P249-G253 WeakPolarHBondContact O-CA 3.25Å; P249-G253 PolarHBondContact O-N 3.36Å
250	E	87.1	Confident	88.7	Confident	199 Å²	199	61.4 Å²	61.4	93%	0.93	33%	0.334	S	S	*	.	H	α-helix	trans	-70	-28.6	177.4	-60.7	-174.1	176	0	0	113	N248	N248-E250 PolarHBondContact O-N 3.43Å
251	K	82.1	Confident	88.9	Confident	159 Å²	159	59.8 Å²	59.8	69%	0.691	32%	0.32	S	S	*	.	H	α-helix	trans	-97.7	-41.4	-175.2	-172.3	-174.6	174.7	-164.2	0	112.3	N248 P249	N248-K251 HydrophobicContact CB-CB 4.29Å; N248-K251 PolarHBondContact O-N 3.04Å; P249-K251 VanDerWaalsContact C-N 3.31Å; P249-K251 PolarHBondContact O-N 3.37Å
252	N	77.7	Confident	89.1	Confident	17 Å²	17	59.2 Å²	59.2	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-123.2	24.1	-171.3	-61.6	-41.9	0	0	0	111.5	E244 A245 N248 L254	E244-N252 VanDerWaalsContact CG-ND2 3.33Å; E244-N252 WeakPolarHBondContact CG-ND2 3.4Å; E244-N252 PolarHBondContact OE1-ND2 2.86Å; A245-N252 HydrophobicContact CB-CB 4.34Å; A245-N252 WeakPolarHBondContact CB-O 3.37Å; N248-N252 PolarHBondContact O-N 3.04Å; N252-L254 PolarHBondContact O-N 3.17Å; N252-L254 VanDerWaalsContact O-N 3.12Å
253	G	76.5	Confident	89.3	Confident	52 Å²	52	59.2 Å²	59.2	54%	0.536	32%	0.318	S	S	.	.			trans	-53.1	117.2	-177.6	0	0	0	0	0	112	P249	P249-G253 WeakPolarHBondContact O-CA 3.25Å; P249-G253 PolarHBondContact O-N 3.36Å
254	L	81.5	Confident	89.5	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	31%	0.312	C	S	.	.			trans	-103.7	123.3	-179.6	-93.4	167.6	0	0	0	110.2	I242 A245 N252 F256 Y295	I242-L254 HydrophobicContact CG1-CD1 4.4Å; A245-L254 HydrophobicContact CB-CB 4.11Å; A245-L254 HydrophobicContact CB-CD1 3.59Å; A245-L254 HydrophobicContact CB-CG 4.06Å; N252-L254 PolarHBondContact O-N 3.17Å; N252-L254 VanDerWaalsContact O-N 3.12Å; L254-F256 HydrophobicContact CB-CD2 4.08Å; L254-F256 HydrophobicContact CB-CE1 4.35Å; L254-F256 HydrophobicContact CB-CE2 3.31Å; L254-F256 HydrophobicContact CB-CZ 3.5Å; L254-F256 HydrophobicContact CD1-CE1 4.34Å; L254-F256 HydrophobicContact CD1-CE2 4.2Å; L254-F256 HydrophobicContact CD1-CZ 3.57Å; L254-F256 HydrophobicContact CG-CE2 4.36Å; L254-F256 HydrophobicContact CG-CZ 4.08Å; L254-F256 WeakPolarHBondContact O-CD2 3.4Å; L254-F256 PolarHBondContact O-N 2.78Å; L254-Y295 HydrophobicContact CD1-CD1 3.56Å; L254-Y295 HydrophobicContact CD1-CE1 3.52Å; L254-Y295 HydrophobicContact CD1-CG 4.15Å; L254-Y295 HydrophobicContact CD2-CD1 3.59Å; L254-Y295 HydrophobicContact CD2-CD2 3.19Å; L254-Y295 HydrophobicContact CD2-CE1 3.78Å; L254-Y295 HydrophobicContact CD2-CE2 3.39Å; L254-Y295 HydrophobicContact CD2-CG 3.26Å; L254-Y295 HydrophobicContact CG-CD1 3.9Å; L254-Y295 HydrophobicContact CG-CD2 4.16Å; L254-Y295 HydrophobicContact CG-CE1 3.68Å; L254-Y295 HydrophobicContact CG-CE2 3.94Å; L254-Y295 HydrophobicContact CG-CG 4.11Å
255	N	86.4	Confident	89.8	Confident	111 Å²	111	55.4 Å²	55.4	59%	0.594	30%	0.299	S	S	*	.			trans	-88.5	93.3	175.4	-177.5	-15.1	0	0	0	111	K233 G257	K233-N255 PolarHBondContact NZ-ND2 2.91Å; K233-N255 PolarHBondContact NZ-OD1 2.96Å; N255-G257 VanDerWaalsContact C-N 3.25Å; N255-G257 PolarHBondContact O-N 3.29Å; N255-G257 WeakPolarHBondContact OD1-CA 3.47Å; N255-G257 PolarHBondContact OD1-N 3.12Å
256	F	88.8	Confident	90.1	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.057	30%	0.297	C	S	.	.			trans	-76.8	-5.1	174.2	-59.5	-79.4	0	0	0	114.2	C189 C190 C223 S225 V235 I242 L254	C189-F256 HydrophobicContact CB-CD1 4.39Å; C189-F256 HydrophobicContact CB-CG 4.46Å; C190-F256 HydrophobicContact CB-CE2 4.31Å; C190-F256 WeakPolarHBondContact SG-CE2 3.33Å; C223-F256 HydrophobicContact CB-CD1 3.56Å; C223-F256 HydrophobicContact CB-CE1 3.87Å; S225-F256 WeakPolarHBondContact CB-O 3.18Å; S225-F256 PolarHBondContact OG-O 2.88Å; V235-F256 HydrophobicContact CB-CD1 4.01Å; V235-F256 HydrophobicContact CB-CE1 4.22Å; V235-F256 HydrophobicContact CG1-CD1 4.24Å; V235-F256 HydrophobicContact CG1-CE1 3.98Å; V235-F256 HydrophobicContact CG2-CD1 4.17Å; I242-F256 HydrophobicContact CD1-CE1 3.86Å; I242-F256 HydrophobicContact CD1-CZ 4Å; I242-F256 HydrophobicContact CG1-CE1 4.49Å; I242-F256 HydrophobicContact CG1-CZ 4.22Å; I242-F256 HydrophobicContact CG2-CZ 4.06Å; L254-F256 HydrophobicContact CB-CD2 4.08Å; L254-F256 HydrophobicContact CB-CE1 4.35Å; L254-F256 HydrophobicContact CB-CE2 3.31Å; L254-F256 HydrophobicContact CB-CZ 3.5Å; L254-F256 HydrophobicContact CD1-CE1 4.34Å; L254-F256 HydrophobicContact CD1-CE2 4.2Å; L254-F256 HydrophobicContact CD1-CZ 3.57Å; L254-F256 HydrophobicContact CG-CE2 4.36Å; L254-F256 HydrophobicContact CG-CZ 4.08Å; L254-F256 WeakPolarHBondContact O-CD2 3.4Å; L254-F256 PolarHBondContact O-N 2.78Å
257	G	90	Very high	90.3	Very high	11 Å²	11	50.8 Å²	50.8	11%	0.113	28%	0.28	C	S	.	.			trans	91.5	173.5	-171.5	0	0	0	0	0	112.8	N255 H261	N255-G257 VanDerWaalsContact C-N 3.25Å; N255-G257 PolarHBondContact O-N 3.29Å; N255-G257 WeakPolarHBondContact OD1-CA 3.47Å; N255-G257 PolarHBondContact OD1-N 3.12Å; G257-H261 PolarHBondContact O-CE1 3.38Å; G257-H261 PolarHBondContact O-NE2 3.14Å
258	D	91.4	Very high	90.5	Very high	105 Å²	105	48.2 Å²	48.2	56%	0.561	27%	0.266	S	S	*	.	S	Bend	trans	-74.9	160.8	177.6	-52.2	-40	0	0	0	110.2	R226 H261	R226-D258 VanDerWaalsContact CG-O 3.26Å; R226-D258 WeakPolarHBondContact CG-O 2.97Å; R226-D258 IonicContact CZ-OD2 3.69Å; R226-D258 IonicContact NH1-OD2 3.86Å; R226-D258 PolarHBondContact NH1-OD2 2.74Å; D258-H261 PolarHBondContact O-CD2 3.32Å; D258-H261 PolarHBondContact O-NE2 2.77Å
259	P	91.7	Very high	90.7	Very high	45 Å²	45	44.8 Å²	44.8	29%	0.292	25%	0.248	S	C	.	.	S	Bend	trans	-63.6	166	175	27	-37.7	0	0	0	113.3	I37 F186 R226	I37-P259 HydrophobicContact CD1-CB 3.63Å; I37-P259 HydrophobicContact CD1-CG 3.58Å; F186-P259 HydrophobicContact CB-CB 3.53Å; F186-P259 HydrophobicContact CB-CG 3.94Å; F186-P259 HydrophobicContact CD1-CB 4.15Å; F186-P259 HydrophobicContact CD2-CB 4.23Å; F186-P259 HydrophobicContact CD2-CG 3.86Å; F186-P259 HydrophobicContact CG-CB 3.71Å; F186-P259 HydrophobicContact CG-CG 3.88Å; R226-P259 WeakPolarHBondContact CG-O 3.15Å
260	P	92.4	Very high	91.2	Very high	38 Å²	38	45.3 Å²	45.3	25%	0.247	24%	0.243	C	C	.	.	P	Polyproline II helix	cis	-77.1	149.7	-0.9	32.2	-34.8	0	0	0	112.2	I164 S225 R226	I164-P260 HydrophobicContact CD1-CB 4.12Å; S225-P260 WeakPolarHBondContact CA-O 3.44Å; R226-P260 PolarHBondContact N-O 3.44Å
261	H	95.5	Very high	91.6	Very high	23 Å²	23	42.9 Å²	42.9	11%	0.106	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.2	176.8	-70.2	-176.5	0	0	0	110.2	L162 C189 L224 S225 G257 D258	L162-H261 HydrophobicContact CD1-CB 3.83Å; C189-H261 PolarHBondContact N-ND1 2.85Å; L224-H261 CarbonylContact O-C 3.56Å; L224-H261 WeakPolarHBondContact O-CA 3.46Å; S225-H261 WeakPolarHBondContact CB-CD2 3.3Å; G257-H261 PolarHBondContact O-CE1 3.38Å; G257-H261 PolarHBondContact O-NE2 3.14Å; D258-H261 PolarHBondContact O-CD2 3.32Å; D258-H261 PolarHBondContact O-NE2 2.77Å
262	C	97	Very high	92.2	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.3	159.6	69.3	0	0	0	0	109.3	V112 L159 L224	V112-C262 HydrophobicContact CG2-CB 4.26Å; L159-C262 HydrophobicContact CD1-CB 4.38Å; L224-C262 PolarHBondContact N-O 3.28Å; L224-C262 PolarHBondContact O-N 3.46Å; L224-C262 VanDerWaalsContact O-O 3.06Å
263	M	97.4	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.6	-174.8	180	176.5	69.8	0	0	109.9	I132 C160 L162 A192 V193 I196 V221 I222 I265	I132-M263 HydrophobicContact CD1-CE 3.63Å; C160-M263 WeakPolarHBondContact CA-O 2.97Å; C160-M263 HydrophobicContact CB-CB 4.15Å; C160-M263 HydrophobicContact CB-CE 4.04Å; C160-M263 VanDerWaalsContact CB-O 3.31Å; C160-M263 WeakPolarHBondContact CB-O 3.13Å; C160-M263 PolarHBondContact N-O 2.76Å; C160-M263 PolarHBondContact O-N 2.86Å; L162-M263 HydrophobicContact CD2-CB 4.36Å; A192-M263 HydrophobicContact CB-CE 3.92Å; A192-M263 HydrophobicContact CB-SD 4.34Å; V193-M263 HydrophobicContact CG2-CE 4.44Å; V193-M263 HydrophobicContact CG2-SD 3.46Å; V193-M263 WeakPolarHBondContact CG2-SD 3.41Å; I196-M263 HydrophobicContact CD1-CE 3.4Å; V221-M263 HydrophobicContact CG2-CG 3.35Å; V221-M263 HydrophobicContact CG2-SD 3.42Å; V221-M263 WeakPolarHBondContact CG2-SD 3.43Å; I222-M263 CarbonylContact O-C 3.59Å; I222-M263 WeakPolarHBondContact O-CA 3.4Å; M263-I265 HydrophobicContact CE-CD1 4.33Å; M263-I265 HydrophobicContact SD-CD1 4.41Å
264	I	98.4	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130	174.8	-54	164.5	0	0	0	108.4	V116 C119 L121 F126 H157 T158 L159 V221 I222 L224	V116-I264 HydrophobicContact CB-CD1 4.02Å; V116-I264 HydrophobicContact CG1-CD1 4.38Å; C119-I264 VanDerWaalsContact SG-CD1 3.59Å; L121-I264 HydrophobicContact CD1-CG2 3.77Å; F126-I264 HydrophobicContact CE1-CD1 4.11Å; F126-I264 HydrophobicContact CE1-CG1 4.16Å; F126-I264 HydrophobicContact CE1-CG2 3.75Å; F126-I264 HydrophobicContact CZ-CD1 4Å; F126-I264 HydrophobicContact CZ-CG2 4.09Å; H157-I264 HydrophobicContact CB-CG2 4.16Å; T158-I264 VanDerWaalsContact O-CA 3.26Å; T158-I264 WeakPolarHBondContact O-CA 3.39Å; T158-I264 WeakPolarHBondContact O-CG2 3.04Å; L159-I264 HydrophobicContact CD1-CG1 4.19Å; V221-I264 WeakPolarHBondContact CA-O 3.38Å; I222-I264 HydrophobicContact CB-CB 4.22Å; I222-I264 PolarHBondContact N-O 2.91Å; I222-I264 PolarHBondContact O-N 3.1Å; L224-I264 HydrophobicContact CD1-CD1 3.53Å; L224-I264 HydrophobicContact CD1-CG1 3.71Å; L224-I264 HydrophobicContact CD2-CD1 4.35Å
265	I	97.4	Very high	94.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.2	166.6	-56.3	-58.4	0	0	0	106.8	I148 M152 H157 T158 V221 I239 M263	I148-I265 HydrophobicContact CG2-CB 4.27Å; I148-I265 HydrophobicContact CG2-CG1 4.3Å; I148-I265 HydrophobicContact CG2-CG2 4.08Å; M152-I265 HydrophobicContact CG-CG2 4.22Å; M152-I265 HydrophobicContact SD-CG2 3.84Å; H157-I265 CarbonylContact C-O 3.55Å; H157-I265 WeakPolarHBondContact CA-O 3.41Å; T158-I265 PolarHBondContact N-O 2.92Å; T158-I265 PolarHBondContact O-N 2.81Å; V221-I265 HydrophobicContact CB-CD1 3.84Å; V221-I265 HydrophobicContact CG2-CD1 3.84Å; I239-I265 HydrophobicContact CD1-CD1 4.27Å; M263-I265 HydrophobicContact CE-CD1 4.33Å; M263-I265 HydrophobicContact SD-CD1 4.41Å
266	P	97.4	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.			trans	-67	147.3	-177	-16.1	30.9	0	0	0	111.6	L121 H157 I220 I222 I269 H315	L121-P266 HydrophobicContact CD1-CB 4.3Å; L121-P266 HydrophobicContact CD1-CG 4.24Å; H157-P266 WeakPolarHBondContact ND1-CA 3.44Å; I220-P266 HydrophobicContact CG2-CG 4.09Å; I220-P266 WeakPolarHBondContact O-CD 3.49Å; I222-P266 HydrophobicContact CD1-CG 4.08Å; I222-P266 HydrophobicContact CG1-CG 4.2Å; P266-I269 HydrophobicContact CB-CD1 3.99Å; P266-I269 HydrophobicContact CB-CG1 3.78Å; P266-I269 HydrophobicContact CG-CD1 4.23Å; P266-H315 PolarHBondContact O-CE1 3.19Å; P266-H315 VanDerWaalsContact O-CE1 3.24Å; P266-H315 PolarHBondContact O-NE2 3.36Å
267	G	96	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-81.4	-134.4	158.1	0	0	0	0	0	110.5	G155 F156 H157 I269 H315	G155-G267 WeakPolarHBondContact O-CA 3.44Å; F156-G267 WeakPolarHBondContact O-CA 3.47Å; F156-G267 PolarHBondContact O-N 3.07Å; H157-G267 PolarHBondContact ND1-N 3.37Å; G267-I269 PolarHBondContact O-N 2.87Å; G267-H315 PolarHBondContact O-NE2 2.87Å
268	I	96.6	Very high	95.4	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.205	19%	0.187	C	C	.	.	S	Bend	trans	-72	118.6	176.6	-61.1	-67.3	0	0	0	109.2	G155 H157 H270 V319 R320	G155-I268 PolarHBondContact O-N 3.31Å; H157-I268 PolarHBondContact CE1-O 2.8Å; I268-H270 PolarHBondContact O-N 2.69Å; I268-V319 HydrophobicContact CD1-CB 3.71Å; I268-V319 HydrophobicContact CD1-CG1 3.47Å; I268-V319 VanDerWaalsContact CD1-CG1 3.47Å; I268-V319 HydrophobicContact CG1-CG1 3.85Å; I268-R320 HydrophobicContact CD1-CG 3.69Å
269	I	97.4	Very high	95.4	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-80.5	116.5	176.4	-59.8	176	0	0	0	108.6	I220 P266 G267 E273 L277 I312 H315 N316	I220-I269 HydrophobicContact CD1-CD1 4.03Å; P266-I269 HydrophobicContact CB-CD1 3.99Å; P266-I269 HydrophobicContact CB-CG1 3.78Å; P266-I269 HydrophobicContact CG-CD1 4.23Å; G267-I269 PolarHBondContact O-N 2.87Å; I269-E273 WeakPolarHBondContact CA-OE2 3.29Å; I269-E273 HydrophobicContact CG2-CB 3.72Å; I269-L277 HydrophobicContact CD1-CD1 4.13Å; I269-L277 HydrophobicContact CG2-CD1 4.16Å; I269-I312 HydrophobicContact CB-CG2 4.2Å; I269-I312 HydrophobicContact CD1-CG2 4.16Å; I269-I312 HydrophobicContact CG2-CG2 4.04Å; I269-H315 VanDerWaalsContact CD1-CD2 3.49Å; I269-H315 WeakPolarHBondContact CD1-CD2 3.34Å; I269-N316 PolarHBondContact N-OD1 2.77Å; I269-N316 PolarHBondContact O-ND2 3.44Å
270	H	96.8	Very high	95.3	Very high	96 Å²	96	31 Å²	31	44%	0.444	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-67.1	155.8	175.7	-177.2	-98.8	0	0	0	111.3	I268 L272 E273 S274	I268-H270 PolarHBondContact O-N 2.69Å; H270-L272 VanDerWaalsContact C-N 3.27Å; H270-L272 WeakPolarHBondContact ND1-CB 3.45Å; H270-L272 PolarHBondContact ND1-N 2.66Å; H270-L272 VanDerWaalsContact ND1-N 3.17Å; H270-L272 PolarHBondContact O-N 2.65Å; H270-E273 HydrophobicContact CB-CG 4.08Å; H270-E273 PolarHBondContact N-OE2 3.3Å; H270-E273 WeakPolarHBondContact O-CB 3.09Å; H270-E273 PolarHBondContact O-N 3.12Å; H270-S274 PolarHBondContact O-N 3.18Å
271	E	95.6	Very high	95	Very high	148 Å²	148	32 Å²	32	69%	0.692	16%	0.158	S	C	*	.	H	α-helix	trans	-54.7	-42.7	-178.6	-174.6	-179.1	175.6	0	0	112.4	E273 S274 I275	E271-E273 PolarHBondContact O-N 3.18Å; E271-S274 WeakPolarHBondContact O-CB 3.4Å; E271-S274 PolarHBondContact O-N 3.23Å; E271-I275 HydrophobicContact CG-CD1 4.2Å; E271-I275 VanDerWaalsContact O-CG1 3.27Å; E271-I275 WeakPolarHBondContact O-CG1 3.27Å; E271-I275 PolarHBondContact O-N 3.43Å
272	L	95.4	Very high	94.2	Very high	102 Å²	102	36 Å²	36	53%	0.534	17%	0.172	S	C	.	.	H	α-helix	trans	-63.6	-39	176.9	-174.6	63.3	0	0	0	112.8	H270 I275 F276	H270-L272 VanDerWaalsContact C-N 3.27Å; H270-L272 WeakPolarHBondContact ND1-CB 3.45Å; H270-L272 PolarHBondContact ND1-N 2.66Å; H270-L272 VanDerWaalsContact ND1-N 3.17Å; H270-L272 PolarHBondContact O-N 2.65Å; L272-I275 WeakPolarHBondContact O-CB 3.43Å; L272-I275 PolarHBondContact O-N 3.47Å; L272-F276 PolarHBondContact O-N 2.82Å
273	E	97.4	Very high	92.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-42.9	177.1	-63.2	176.5	144.5	0	0	110.2	L121 Q122 H157 I269 H270 E271 I275 F276 L277	L121-E273 WeakPolarHBondContact CA-OE1 3.42Å; L121-E273 HydrophobicContact CD2-CB 3.89Å; L121-E273 HydrophobicContact CD2-CG 4.12Å; Q122-E273 WeakPolarHBondContact CB-OE1 3.48Å; Q122-E273 HydrophobicContact CG-CG 3.99Å; Q122-E273 WeakPolarHBondContact CG-OE1 3.29Å; Q122-E273 PolarHBondContact N-OE1 3.44Å; H157-E273 IonicContact CE1-OE1 2.93Å; H157-E273 IonicContact CE1-OE2 3.64Å; H157-E273 IonicContact NE2-OE1 3.53Å; H157-E273 PolarHBondContact NE2-OE1 3.12Å; H157-E273 IonicContact NE2-OE2 2.69Å; I269-E273 WeakPolarHBondContact CA-OE2 3.29Å; I269-E273 HydrophobicContact CG2-CB 3.72Å; H270-E273 HydrophobicContact CB-CG 4.08Å; H270-E273 PolarHBondContact N-OE2 3.3Å; H270-E273 WeakPolarHBondContact O-CB 3.09Å; H270-E273 PolarHBondContact O-N 3.12Å; E271-E273 PolarHBondContact O-N 3.18Å; E273-I275 VanDerWaalsContact C-N 3.33Å; E273-I275 PolarHBondContact O-N 2.71Å; E273-F276 WeakPolarHBondContact O-CB 3.34Å; E273-F276 PolarHBondContact O-N 2.95Å; E273-F276 VanDerWaalsContact O-N 3.1Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.25Å
274	S	95.5	Very high	91.4	Very high	23 Å²	23	48.8 Å²	48.8	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-45.6	173.9	177.8	0	0	0	0	111.8	H270 E271 F276 L277 V278 I312	H270-S274 PolarHBondContact O-N 3.18Å; E271-S274 WeakPolarHBondContact O-CB 3.4Å; E271-S274 PolarHBondContact O-N 3.23Å; S274-F276 VanDerWaalsContact C-N 3.31Å; S274-F276 PolarHBondContact O-N 2.76Å; S274-L277 PolarHBondContact O-N 2.99Å; S274-V278 WeakPolarHBondContact O-CG2 3.46Å; S274-V278 PolarHBondContact O-N 3.19Å; S274-I312 WeakPolarHBondContact OG-CD1 3.47Å
275	I	94.1	Very high	90.1	Very high	56 Å²	56	49.8 Å²	49.8	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-43.9	174.2	-71.3	165.4	0	0	0	111.3	E271 L272 E273 A279 R282	E271-I275 HydrophobicContact CG-CD1 4.2Å; E271-I275 VanDerWaalsContact O-CG1 3.27Å; E271-I275 WeakPolarHBondContact O-CG1 3.27Å; E271-I275 PolarHBondContact O-N 3.43Å; L272-I275 WeakPolarHBondContact O-CB 3.43Å; L272-I275 PolarHBondContact O-N 3.47Å; E273-I275 VanDerWaalsContact C-N 3.33Å; E273-I275 PolarHBondContact O-N 2.71Å; I275-A279 PolarHBondContact O-N 2.82Å; I275-R282 VanDerWaalsContact CG2-NH1 3.32Å
276	F	94.6	Very high	88.4	Confident	76 Å²	76	55.3 Å²	55.3	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-46.9	-179.5	-169.8	-75.4	0	0	0	111.9	C119 L272 E273 S274 V278 A279 L291 P292	C119-F276 WeakPolarHBondContact O-CD1 3.42Å; L272-F276 PolarHBondContact O-N 2.82Å; E273-F276 WeakPolarHBondContact O-CB 3.34Å; E273-F276 PolarHBondContact O-N 2.95Å; E273-F276 VanDerWaalsContact O-N 3.1Å; S274-F276 VanDerWaalsContact C-N 3.31Å; S274-F276 PolarHBondContact O-N 2.76Å; F276-V278 PolarHBondContact O-N 3.11Å; F276-V278 VanDerWaalsContact O-N 3.15Å; F276-A279 WeakPolarHBondContact O-CB 3.38Å; F276-A279 PolarHBondContact O-N 2.8Å; F276-L291 HydrophobicContact CE1-CD2 4.4Å; F276-L291 HydrophobicContact CZ-CD2 4.33Å; F276-P292 HydrophobicContact CD1-CG 4.17Å; F276-P292 HydrophobicContact CE1-CG 4.05Å
277	L	94.4	Very high	87.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.4	-35.3	-177.9	-70.6	172.6	0	0	0	111.5	C119 L121 I222 V236 I269 E273 S274 P292 F294 I312	C119-L277 WeakPolarHBondContact O-CD2 3.33Å; L121-L277 HydrophobicContact CD2-CD1 4.42Å; I222-L277 HydrophobicContact CD1-CD2 3.78Å; V236-L277 HydrophobicContact CG2-CD2 4.04Å; I269-L277 HydrophobicContact CD1-CD1 4.13Å; I269-L277 HydrophobicContact CG2-CD1 4.16Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.25Å; S274-L277 PolarHBondContact O-N 2.99Å; L277-P292 HydrophobicContact CD2-CB 4.34Å; L277-P292 HydrophobicContact CD2-CG 4.21Å; L277-F294 HydrophobicContact CB-CE2 3.79Å; L277-F294 HydrophobicContact CB-CZ 4.06Å; L277-F294 VanDerWaalsContact O-CE2 3.3Å; L277-F294 WeakPolarHBondContact O-CE2 3.11Å; L277-I312 HydrophobicContact CB-CD1 4.37Å; L277-I312 HydrophobicContact CD1-CD1 4.45Å
278	V	92.1	Very high	86.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.6	179.6	-51.5	0	0	0	0	114.3	S274 F276 R280 Y281 F294 L305 C308 I312	S274-V278 WeakPolarHBondContact O-CG2 3.46Å; S274-V278 PolarHBondContact O-N 3.19Å; F276-V278 PolarHBondContact O-N 3.11Å; F276-V278 VanDerWaalsContact O-N 3.15Å; V278-R280 PolarHBondContact O-N 3.3Å; V278-R280 VanDerWaalsContact O-N 3.15Å; V278-Y281 HydrophobicContact CB-CD2 4.48Å; V278-Y281 PolarHBondContact O-N 3.31Å; V278-F294 HydrophobicContact CG1-CE2 3.93Å; V278-F294 HydrophobicContact CG1-CZ 4.36Å; V278-L305 HydrophobicContact CB-CD1 3.75Å; V278-L305 HydrophobicContact CG2-CD1 3.65Å; V278-C308 HydrophobicContact CG1-CB 3.59Å; V278-I312 HydrophobicContact CG1-CD1 3.81Å
279	A	91.1	Very high	85.8	Confident	26 Å²	26	67.8 Å²	67.8	22%	0.215	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.5	-33.5	-170.2	0	0	0	0	0	113.5	I275 F276 Y281 R282	I275-A279 PolarHBondContact O-N 2.82Å; F276-A279 WeakPolarHBondContact O-CB 3.38Å; F276-A279 PolarHBondContact O-N 2.8Å; A279-Y281 PolarHBondContact O-N 3.29Å; A279-R282 PolarHBondContact O-N 2.88Å
280	R	89.3	Confident	85.5	Confident	11 Å²	11	72.6 Å²	72.6	4%	0.042	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-55.8	-40.4	177.4	177.7	176.1	-76.6	109.7	-13.2	112	V278 R282 V285 Q288 I289 L291 P292 I293	V278-R280 PolarHBondContact O-N 3.3Å; V278-R280 VanDerWaalsContact O-N 3.15Å; R280-R282 VanDerWaalsContact C-N 3.31Å; R280-R282 PolarHBondContact O-N 3.47Å; R280-V285 PolarHBondContact O-N 2.76Å; R280-Q288 PolarHBondContact NH2-O 3.48Å; R280-I289 PolarHBondContact NH2-O 2.97Å; R280-L291 HydrophobicContact CB-CB 4.18Å; R280-L291 HydrophobicContact CB-CD1 4.02Å; R280-L291 PolarHBondContact NH1-O 2.91Å; R280-L291 PolarHBondContact NH2-O 2.9Å; R280-P292 PolarHBondContact NH1-O 2.83Å; R280-I293 VanDerWaalsContact NH1-N 3.13Å
281	Y	85.4	Confident	85.2	Confident	59 Å²	59	69 Å²	69	23%	0.231	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-82.4	-5.1	-175	-52.5	-65.2	0	0	0	113.9	V278 A279 F294 V304	V278-Y281 HydrophobicContact CB-CD2 4.48Å; V278-Y281 PolarHBondContact O-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.29Å; Y281-F294 HydrophobicContact CE2-CB 3.97Å; Y281-F294 HydrophobicContact CE2-CD2 4.02Å; Y281-F294 HydrophobicContact CE2-CG 4.42Å; Y281-F294 PolarHBondContact OH-N 3.39Å; Y281-F294 PolarHBondContact OH-O 3.23Å; Y281-V304 HydrophobicContact CD1-CB 4.47Å; Y281-V304 HydrophobicContact CD1-CG1 3.88Å; Y281-V304 HydrophobicContact CD2-CG1 4.34Å; Y281-V304 HydrophobicContact CE1-CG1 3.66Å; Y281-V304 HydrophobicContact CE2-CG1 4.16Å; Y281-V304 HydrophobicContact CG-CG1 4.21Å
282	R	80	Confident	85	Confident	107 Å²	107	62 Å²	62	40%	0.404	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.8	-179.4	-70	-173.3	175.4	-167.2	-1.3	113.8	I275 A279 R280 L305	I275-R282 VanDerWaalsContact CG2-NH1 3.32Å; A279-R282 PolarHBondContact O-N 2.88Å; R280-R282 VanDerWaalsContact C-N 3.31Å; R280-R282 PolarHBondContact O-N 3.47Å; R282-L305 HydrophobicContact CG-CD1 4.32Å; R282-L305 HydrophobicContact CG-CD2 4.46Å
283	N	68.9	Low	84.7	Confident	135 Å²	135	61.1 Å²	61.1	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	25.7	-165	-75.3	-28.9	0	0	0	113.8	V285	N283-V285 VanDerWaalsContact C-CG2 3.47Å; N283-V285 HydrophobicContact CB-CG2 3.31Å; N283-V285 WeakPolarHBondContact O-CG2 3.45Å; N283-V285 PolarHBondContact O-N 2.88Å
284	D	65.5	Low	84.3	Confident	139 Å²	139	62 Å²	62	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	49.7	-174.9	-165.5	12.4	0	0	0	111.7	D286	D284-D286 PolarHBondContact O-N 3.27Å
285	V	70.5	Confident	83.7	Confident	22 Å²	22	63.8 Å²	63.8	13%	0.133	32%	0.322	C	S	.	.			trans	-97.7	36.4	-172	-142	0	0	0	0	110.9	R280 N283 S287 Q288 L291	R280-V285 PolarHBondContact O-N 2.76Å; N283-V285 VanDerWaalsContact C-CG2 3.47Å; N283-V285 HydrophobicContact CB-CG2 3.31Å; N283-V285 WeakPolarHBondContact O-CG2 3.45Å; N283-V285 PolarHBondContact O-N 2.88Å; V285-S287 PolarHBondContact O-N 2.84Å; V285-Q288 HydrophobicContact CB-CB 4.47Å; V285-Q288 HydrophobicContact CG1-CB 3.81Å; V285-Q288 HydrophobicContact CG1-CG 3.44Å; V285-Q288 VanDerWaalsContact CG1-CG 3.44Å; V285-Q288 VanDerWaalsContact CG1-NE2 3.28Å; V285-Q288 PolarHBondContact O-N 2.87Å; V285-L291 HydrophobicContact CB-CD1 4.4Å
286	D	63.4	Low	82.5	Confident	117 Å²	117	63.1 Å²	63.1	63%	0.626	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	-175.6	-79.4	-6.2	0	0	0	112.3	D284 Q288	D284-D286 PolarHBondContact O-N 3.27Å; D286-Q288 VanDerWaalsContact C-N 3.34Å; D286-Q288 PolarHBondContact O-N 3.07Å
287	S	70	Confident	81.2	Confident	107 Å²	107	62.1 Å²	62.1	75%	0.748	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.2	175.7	69.5	0	0	0	0	114.8	V285 I289	V285-S287 PolarHBondContact O-N 2.84Å; S287-I289 PolarHBondContact O-N 2.75Å; S287-I289 VanDerWaalsContact O-N 3.14Å
288	Q	81.8	Confident	79.5	Confident	100 Å²	100	69.2 Å²	69.2	47%	0.467	35%	0.354	S	S	.	.			trans	-83.7	91.3	-179.8	-82.3	-174.6	22.4	0	0	110.7	R280 V285 D286 F290 L291	R280-Q288 PolarHBondContact NH2-O 3.48Å; V285-Q288 HydrophobicContact CB-CB 4.47Å; V285-Q288 HydrophobicContact CG1-CB 3.81Å; V285-Q288 HydrophobicContact CG1-CG 3.44Å; V285-Q288 VanDerWaalsContact CG1-CG 3.44Å; V285-Q288 VanDerWaalsContact CG1-NE2 3.28Å; V285-Q288 PolarHBondContact O-N 2.87Å; D286-Q288 VanDerWaalsContact C-N 3.34Å; D286-Q288 PolarHBondContact O-N 3.07Å; Q288-F290 PolarHBondContact O-N 2.94Å; Q288-L291 HydrophobicContact CB-CD1 3.96Å; Q288-L291 HydrophobicContact CB-CG 4.11Å; Q288-L291 PolarHBondContact O-N 3.2Å; Q288-L291 VanDerWaalsContact OE1-CD1 3.24Å
289	I	83	Confident	77.8	Confident	96 Å²	96	71.3 Å²	71.3	49%	0.492	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	-178.1	63.8	175.9	0	0	0	114.2	D230 R280 S287	D230-I289 WeakPolarHBondContact O-CD1 3.4Å; R280-I289 PolarHBondContact NH2-O 2.97Å; S287-I289 PolarHBondContact O-N 2.75Å; S287-I289 VanDerWaalsContact O-N 3.14Å
290	F	90.3	Very high	76	Confident	104 Å²	104	78.1 Å²	78.1	46%	0.456	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.7	-175.2	-60.7	-69.1	0	0	0	114.9	Q232 I234 Q288	Q232-F290 HydrophobicContact CB-CD1 4.24Å; Q232-F290 HydrophobicContact CB-CE1 4.25Å; I234-F290 WeakPolarHBondContact CD1-O 3.13Å; Q288-F290 PolarHBondContact O-N 2.94Å
291	L	91.9	Very high	74.5	Confident	22 Å²	22	79.5 Å²	79.5	12%	0.115	42%	0.42	C	S	.	.	S	Bend	trans	-73.4	159.9	177.3	-71.6	178.2	0	0	0	111.7	F276 R280 V285 Q288 I293	F276-L291 HydrophobicContact CE1-CD2 4.4Å; F276-L291 HydrophobicContact CZ-CD2 4.33Å; R280-L291 HydrophobicContact CB-CB 4.18Å; R280-L291 HydrophobicContact CB-CD1 4.02Å; R280-L291 PolarHBondContact NH1-O 2.91Å; R280-L291 PolarHBondContact NH2-O 2.9Å; V285-L291 HydrophobicContact CB-CD1 4.4Å; Q288-L291 HydrophobicContact CB-CD1 3.96Å; Q288-L291 HydrophobicContact CB-CG 4.11Å; Q288-L291 PolarHBondContact O-N 3.2Å; Q288-L291 VanDerWaalsContact OE1-CD1 3.24Å; L291-I293 PolarHBondContact O-N 3.04Å
292	P	90.6	Very high	73.5	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-70.9	125.7	175.2	-18.5	33.2	0	0	0	113.3	I234 V236 F276 L277 R280	I234-P292 HydrophobicContact CB-CB 4.41Å; I234-P292 HydrophobicContact CG2-CB 3.82Å; I234-P292 HydrophobicContact CG2-CG 4.04Å; V236-P292 HydrophobicContact CG2-CB 3.59Å; F276-P292 HydrophobicContact CD1-CG 4.17Å; F276-P292 HydrophobicContact CE1-CG 4.05Å; L277-P292 HydrophobicContact CD2-CB 4.34Å; L277-P292 HydrophobicContact CD2-CG 4.21Å; R280-P292 PolarHBondContact NH1-O 2.83Å
293	I	90	Very high	73.6	Confident	84 Å²	84	86 Å²	86	43%	0.431	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.1	174.5	-58.9	174.3	0	0	0	107.7	I234 V235 V236 R280 L291	I234-I293 PolarHBondContact O-N 3.2Å; V235-I293 CarbonylContact C-O 3.53Å; V235-I293 WeakPolarHBondContact CA-O 3.44Å; V236-I293 PolarHBondContact N-O 2.62Å; R280-I293 VanDerWaalsContact NH1-N 3.13Å; L291-I293 PolarHBondContact O-N 3.04Å
294	F	87.9	Confident	74.3	Confident	19 Å²	19	81.3 Å²	81.3	8%	0.083	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125	169.2	-87.3	-101	0	0	0	110.4	V236 L277 V278 Y281 C308 I312	V236-F294 HydrophobicContact CB-CD1 3.99Å; V236-F294 HydrophobicContact CB-CD2 4.01Å; V236-F294 HydrophobicContact CB-CE1 3.95Å; V236-F294 HydrophobicContact CB-CE2 3.98Å; V236-F294 HydrophobicContact CB-CG 4.03Å; V236-F294 HydrophobicContact CB-CZ 3.94Å; V236-F294 HydrophobicContact CG1-CD1 3.9Å; V236-F294 HydrophobicContact CG1-CD2 4.43Å; V236-F294 HydrophobicContact CG1-CE1 3.39Å; V236-F294 HydrophobicContact CG1-CE2 4Å; V236-F294 HydrophobicContact CG1-CG 4.39Å; V236-F294 HydrophobicContact CG1-CZ 3.45Å; V236-F294 VanDerWaalsContact CG1-CZ 3.45Å; V236-F294 HydrophobicContact CG2-CD2 4.36Å; V236-F294 HydrophobicContact CG2-CE2 4.16Å; V236-F294 HydrophobicContact CG2-CZ 4.42Å; V236-F294 CarbonylContact O-C 3.45Å; V236-F294 VanDerWaalsContact O-CA 3.28Å; V236-F294 WeakPolarHBondContact O-CA 3.47Å; L277-F294 HydrophobicContact CB-CE2 3.79Å; L277-F294 HydrophobicContact CB-CZ 4.06Å; L277-F294 VanDerWaalsContact O-CE2 3.3Å; L277-F294 WeakPolarHBondContact O-CE2 3.11Å; V278-F294 HydrophobicContact CG1-CE2 3.93Å; V278-F294 HydrophobicContact CG1-CZ 4.36Å; Y281-F294 HydrophobicContact CE2-CB 3.97Å; Y281-F294 HydrophobicContact CE2-CD2 4.02Å; Y281-F294 HydrophobicContact CE2-CG 4.42Å; Y281-F294 PolarHBondContact OH-N 3.39Å; Y281-F294 PolarHBondContact OH-O 3.23Å; F294-C308 WeakPolarHBondContact CB-SG 3.45Å; F294-C308 HydrophobicContact CD1-CB 4.03Å; F294-C308 HydrophobicContact CD2-CB 4.15Å; F294-C308 HydrophobicContact CE1-CB 4.17Å; F294-C308 HydrophobicContact CE2-CB 4.26Å; F294-C308 HydrophobicContact CG-CB 4.01Å; F294-C308 WeakPolarHBondContact CG-SG 3.25Å; F294-C308 HydrophobicContact CZ-CB 4.29Å; F294-I312 HydrophobicContact CE1-CG1 4.39Å; F294-I312 HydrophobicContact CZ-CD1 3.83Å; F294-I312 HydrophobicContact CZ-CG1 4.02Å
295	Y	82.4	Confident	75.3	Confident	59 Å²	59	77.2 Å²	77.2	23%	0.231	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-99.6	137.5	167.4	-179.4	-98.6	0	0	0	110.1	V236 S237 D241 L254 T297	V236-Y295 PolarHBondContact O-N 2.9Å; S237-Y295 PolarHBondContact OG-O 2.97Å; D241-Y295 HydrophobicContact CB-CD1 4.45Å; L254-Y295 HydrophobicContact CD1-CD1 3.56Å; L254-Y295 HydrophobicContact CD1-CE1 3.52Å; L254-Y295 HydrophobicContact CD1-CG 4.15Å; L254-Y295 HydrophobicContact CD2-CD1 3.59Å; L254-Y295 HydrophobicContact CD2-CD2 3.19Å; L254-Y295 HydrophobicContact CD2-CE1 3.78Å; L254-Y295 HydrophobicContact CD2-CE2 3.39Å; L254-Y295 HydrophobicContact CD2-CG 3.26Å; L254-Y295 HydrophobicContact CG-CD1 3.9Å; L254-Y295 HydrophobicContact CG-CD2 4.16Å; L254-Y295 HydrophobicContact CG-CE1 3.68Å; L254-Y295 HydrophobicContact CG-CE2 3.94Å; L254-Y295 HydrophobicContact CG-CG 4.11Å; Y295-T297 HydrophobicContact CE1-CG2 4.09Å
296	T	70.4	Confident	76.2	Confident	42 Å²	42	79.9 Å²	79.9	26%	0.258	43%	0.425	S	S	.	.			trans	-140.2	141.1	170	177.8	0	0	0	0	109	Q298	T296-Q298 HydrophobicContact CG2-CB 4.43Å; T296-Q298 PolarHBondContact O-N 3.49Å; T296-Q298 WeakPolarHBondContact OG1-CB 3.41Å; T296-Q298 PolarHBondContact OG1-N 3.38Å; T296-Q298 VanDerWaalsContact OG1-N 3.12Å
297	T	65.7	Low	77.4	Confident	56 Å²	56	76 Å²	76	34%	0.344	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.1	170.3	50.5	0	0	0	0	112.5	D241 Y295 G299	D241-T297 HydrophobicContact CB-CG2 4.25Å; D241-T297 WeakPolarHBondContact OD1-CB 3.42Å; D241-T297 WeakPolarHBondContact OD1-CG2 3.44Å; D241-T297 PolarHBondContact OD1-OG1 2.98Å; Y295-T297 HydrophobicContact CE1-CG2 4.09Å; T297-G299 VanDerWaalsContact C-N 3.26Å; T297-G299 PolarHBondContact O-N 3.49Å
298	Q	59.2	Low	78.4	Confident	149 Å²	149	71.1 Å²	71.1	70%	0.696	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	5.3	-175.1	-61.8	-170.6	-3.4	0	0	115.2	T296	T296-Q298 HydrophobicContact CG2-CB 4.43Å; T296-Q298 PolarHBondContact O-N 3.49Å; T296-Q298 WeakPolarHBondContact OG1-CB 3.41Å; T296-Q298 PolarHBondContact OG1-N 3.38Å; T296-Q298 VanDerWaalsContact OG1-N 3.12Å
299	G	55.8	Low	78.9	Confident	43 Å²	43	69.2 Å²	69.2	44%	0.443	36%	0.36	S	S	.	.			trans	75.1	165.7	175.3	0	0	0	0	0	114.2	T297 S301	T297-G299 VanDerWaalsContact C-N 3.26Å; T297-G299 PolarHBondContact O-N 3.49Å; G299-S301 PolarHBondContact O-N 3.44Å
300	N	54.2	Low	79.3	Confident	170 Å²	170	68.7 Å²	68.7	91%	0.909	36%	0.358	S	S	*	.			trans	-64.3	93.1	177	-98	-5.1	0	0	0	109.9
301	S	57.8	Low	79.4	Confident	40 Å²	40	65.2 Å²	65.2	28%	0.28	35%	0.346	S	S	.	.			trans	-84.5	149.7	168	68.3	0	0	0	0	109.3	G299 N303 V304 I307	G299-S301 PolarHBondContact O-N 3.44Å; S301-N303 PolarHBondContact O-N 3.15Å; S301-N303 PolarHBondContact OG-N 2.88Å; S301-V304 VanDerWaalsContact O-CG2 3.23Å; S301-V304 WeakPolarHBondContact O-CG2 3.4Å; S301-V304 PolarHBondContact O-N 2.8Å; S301-I307 WeakPolarHBondContact OG-CD1 3.49Å
302	E	64.5	Low	79.6	Confident	214 Å²	214	64.3 Å²	64.3	100%	1	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-0.9	170	-70.5	-179.5	158.7	0	0	113
303	N	81.9	Confident	79.7	Confident	89 Å²	89	69.7 Å²	69.7	48%	0.476	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	37.1	-173.4	-152.1	1.6	0	0	0	113.1	S301 L305 Q306 I307	S301-N303 PolarHBondContact O-N 3.15Å; S301-N303 PolarHBondContact OG-N 2.88Å; N303-L305 PolarHBondContact O-N 3.21Å; N303-Q306 HydrophobicContact CB-CB 4.44Å; N303-Q306 WeakPolarHBondContact ND2-CB 3.43Å; N303-Q306 PolarHBondContact O-N 3.29Å; N303-Q306 VanDerWaalsContact O-N 3.11Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.43Å; N303-I307 PolarHBondContact O-N 2.85Å; N303-I307 VanDerWaalsContact O-N 3.09Å
304	V	83.6	Confident	79.9	Confident	36 Å²	36	70.1 Å²	70.1	22%	0.218	37%	0.368	C	S	.	.	H	α-helix	trans	-50.5	-43.6	179.4	-178.5	0	0	0	0	111.7	Y281 S301 Q306 I307 C308	Y281-V304 HydrophobicContact CD1-CB 4.47Å; Y281-V304 HydrophobicContact CD1-CG1 3.88Å; Y281-V304 HydrophobicContact CD2-CG1 4.34Å; Y281-V304 HydrophobicContact CE1-CG1 3.66Å; Y281-V304 HydrophobicContact CE2-CG1 4.16Å; Y281-V304 HydrophobicContact CG-CG1 4.21Å; S301-V304 VanDerWaalsContact O-CG2 3.23Å; S301-V304 WeakPolarHBondContact O-CG2 3.4Å; S301-V304 PolarHBondContact O-N 2.8Å; V304-Q306 PolarHBondContact O-N 3.28Å; V304-I307 PolarHBondContact O-N 2.86Å; V304-C308 PolarHBondContact O-N 3.11Å; V304-C308 PolarHBondContact O-SG 3.28Å
305	L	87	Confident	80.2	Confident	53 Å²	53	69.2 Å²	69.2	28%	0.277	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-47.6	179.9	179.2	60.5	0	0	0	112.1	V278 R282 N303 C308 Q309	V278-L305 HydrophobicContact CB-CD1 3.75Å; V278-L305 HydrophobicContact CG2-CD1 3.65Å; R282-L305 HydrophobicContact CG-CD1 4.32Å; R282-L305 HydrophobicContact CG-CD2 4.46Å; N303-L305 PolarHBondContact O-N 3.21Å; L305-C308 PolarHBondContact O-N 2.88Å; L305-Q309 HydrophobicContact CD1-CG 4.41Å; L305-Q309 WeakPolarHBondContact O-CG 3.45Å; L305-Q309 PolarHBondContact O-N 3.35Å
306	Q	88.6	Confident	80.8	Confident	78 Å²	78	67.1 Å²	67.1	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-42.6	178.7	-173.2	65.9	53.4	0	0	111.3	N303 V304 C308 Q309 D310	N303-Q306 HydrophobicContact CB-CB 4.44Å; N303-Q306 WeakPolarHBondContact ND2-CB 3.43Å; N303-Q306 PolarHBondContact O-N 3.29Å; N303-Q306 VanDerWaalsContact O-N 3.11Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.43Å; V304-Q306 PolarHBondContact O-N 3.28Å; Q306-C308 VanDerWaalsContact C-N 3.28Å; Q306-C308 PolarHBondContact O-N 3.05Å; Q306-Q309 PolarHBondContact O-N 2.89Å; Q306-Q309 VanDerWaalsContact O-N 3.16Å; Q306-D310 PolarHBondContact NE2-OD1 3.37Å; Q306-D310 WeakPolarHBondContact O-CB 3.19Å; Q306-D310 PolarHBondContact O-N 3.02Å
307	I	88.5	Confident	81.9	Confident	35 Å²	35	68.7 Å²	68.7	18%	0.179	36%	0.362	C	S	.	.	H	α-helix	trans	-58.6	-43.2	176.7	-65.6	-178	0	0	0	110.9	S301 N303 V304 D310 T311	S301-I307 WeakPolarHBondContact OG-CD1 3.49Å; N303-I307 PolarHBondContact O-N 2.85Å; N303-I307 VanDerWaalsContact O-N 3.09Å; V304-I307 PolarHBondContact O-N 2.86Å; I307-D310 PolarHBondContact O-N 2.65Å; I307-T311 WeakPolarHBondContact O-CB 3.24Å; I307-T311 PolarHBondContact O-N 3.31Å; I307-T311 PolarHBondContact O-OG1 2.68Å
308	C	90.4	Very high	83.1	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.027	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-44.7	177.4	-61.3	0	0	0	0	111.3	V278 F294 V304 L305 Q306 T311 I312	V278-C308 HydrophobicContact CG1-CB 3.59Å; F294-C308 WeakPolarHBondContact CB-SG 3.45Å; F294-C308 HydrophobicContact CD1-CB 4.03Å; F294-C308 HydrophobicContact CD2-CB 4.15Å; F294-C308 HydrophobicContact CE1-CB 4.17Å; F294-C308 HydrophobicContact CE2-CB 4.26Å; F294-C308 HydrophobicContact CG-CB 4.01Å; F294-C308 WeakPolarHBondContact CG-SG 3.25Å; F294-C308 HydrophobicContact CZ-CB 4.29Å; V304-C308 PolarHBondContact O-N 3.11Å; V304-C308 PolarHBondContact O-SG 3.28Å; L305-C308 PolarHBondContact O-N 2.88Å; Q306-C308 VanDerWaalsContact C-N 3.28Å; Q306-C308 PolarHBondContact O-N 3.05Å; C308-T311 PolarHBondContact O-N 3.01Å; C308-I312 VanDerWaalsContact O-CG1 3.31Å; C308-I312 WeakPolarHBondContact O-CG1 3.4Å; C308-I312 PolarHBondContact O-N 3.34Å
309	Q	92.2	Very high	84.7	Confident	60 Å²	60	59.2 Å²	59.2	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-42.6	178.2	-71.6	176.1	-48	0	0	112.3	L305 Q306 T311 I312 H313	L305-Q309 HydrophobicContact CD1-CG 4.41Å; L305-Q309 WeakPolarHBondContact O-CG 3.45Å; L305-Q309 PolarHBondContact O-N 3.35Å; Q306-Q309 PolarHBondContact O-N 2.89Å; Q306-Q309 VanDerWaalsContact O-N 3.16Å; Q309-T311 VanDerWaalsContact C-N 3.32Å; Q309-T311 PolarHBondContact O-N 3.28Å; Q309-I312 PolarHBondContact O-N 3.1Å; Q309-H313 WeakPolarHBondContact O-CB 2.94Å; Q309-H313 PolarHBondContact O-N 2.99Å
310	D	92.2	Very high	86.4	Confident	85 Å²	85	62.8 Å²	62.8	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-38.9	176.9	-67.5	-14.8	0	0	0	111.2	Q306 I307 H313 L314	Q306-D310 PolarHBondContact NE2-OD1 3.37Å; Q306-D310 WeakPolarHBondContact O-CB 3.19Å; Q306-D310 PolarHBondContact O-N 3.02Å; I307-D310 PolarHBondContact O-N 2.65Å; D310-H313 PolarHBondContact O-N 2.73Å; D310-L314 WeakPolarHBondContact O-CB 3.15Å; D310-L314 PolarHBondContact O-N 3.43Å
311	T	92.9	Very high	88.1	Confident	31 Å²	31	59 Å²	59	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-44.2	175.7	-56.5	0	0	0	0	111.3	I220 T238 I307 C308 Q309 H313 L314 H315	I220-T311 HydrophobicContact CD1-CG2 4.13Å; I220-T311 HydrophobicContact CG1-CG2 3.94Å; T238-T311 HydrophobicContact CG2-CG2 3.78Å; I307-T311 WeakPolarHBondContact O-CB 3.24Å; I307-T311 PolarHBondContact O-N 3.31Å; I307-T311 PolarHBondContact O-OG1 2.68Å; C308-T311 PolarHBondContact O-N 3.01Å; Q309-T311 VanDerWaalsContact C-N 3.32Å; Q309-T311 PolarHBondContact O-N 3.28Å; T311-H313 VanDerWaalsContact C-N 3.34Å; T311-L314 PolarHBondContact O-N 3.15Å; T311-H315 WeakPolarHBondContact O-CB 3.4Å; T311-H315 PolarHBondContact O-N 3.42Å
312	I	94.8	Very high	89.4	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-41.8	175.3	-65.7	163.5	0	0	0	110.8	I220 I269 S274 L277 V278 F294 C308 Q309 H315 N316	I220-I312 HydrophobicContact CD1-CB 4.15Å; I220-I312 HydrophobicContact CD1-CG1 3.59Å; I269-I312 HydrophobicContact CB-CG2 4.2Å; I269-I312 HydrophobicContact CD1-CG2 4.16Å; I269-I312 HydrophobicContact CG2-CG2 4.04Å; S274-I312 WeakPolarHBondContact OG-CD1 3.47Å; L277-I312 HydrophobicContact CB-CD1 4.37Å; L277-I312 HydrophobicContact CD1-CD1 4.45Å; V278-I312 HydrophobicContact CG1-CD1 3.81Å; F294-I312 HydrophobicContact CE1-CG1 4.39Å; F294-I312 HydrophobicContact CZ-CD1 3.83Å; F294-I312 HydrophobicContact CZ-CG1 4.02Å; C308-I312 VanDerWaalsContact O-CG1 3.31Å; C308-I312 WeakPolarHBondContact O-CG1 3.4Å; C308-I312 PolarHBondContact O-N 3.34Å; Q309-I312 PolarHBondContact O-N 3.1Å; I312-H315 PolarHBondContact O-N 2.72Å; I312-N316 PolarHBondContact O-N 3.18Å
313	H	94.4	Very high	90.4	Very high	112 Å²	112	51 Å²	51	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-48.9	176.6	-178	66.9	0	0	0	111.5	Q309 D310 T311 H315 N316 E317	Q309-H313 WeakPolarHBondContact O-CB 2.94Å; Q309-H313 PolarHBondContact O-N 2.99Å; D310-H313 PolarHBondContact O-N 2.73Å; T311-H313 VanDerWaalsContact C-N 3.34Å; H313-H315 VanDerWaalsContact C-N 3.31Å; H313-H315 PolarHBondContact O-N 2.78Å; H313-N316 PolarHBondContact O-N 3.11Å; H313-N316 VanDerWaalsContact O-N 3.17Å; H313-E317 WeakPolarHBondContact O-CG 3.43Å; H313-E317 PolarHBondContact O-N 2.95Å
314	L	93	Very high	90.3	Very high	93 Å²	93	51.3 Å²	51.3	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-39.3	177.7	-179.2	61.8	0	0	0	112.3	D310 T311 T318	D310-L314 WeakPolarHBondContact O-CB 3.15Å; D310-L314 PolarHBondContact O-N 3.43Å; T311-L314 PolarHBondContact O-N 3.15Å; L314-T318 VanDerWaalsContact O-CB 3.22Å; L314-T318 WeakPolarHBondContact O-CB 3.36Å; L314-T318 PolarHBondContact O-N 3.06Å; L314-T318 PolarHBondContact O-OG1 3.34Å
315	H	94.8	Very high	89.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-46.7	173.7	172.2	74.7	0	0	0	111.9	C219 I220 P266 G267 I269 T311 I312 H313 E317 T318 V319	C219-H315 WeakPolarHBondContact CA-ND1 3.43Å; I220-H315 HydrophobicContact CB-CB 4.36Å; I220-H315 HydrophobicContact CD1-CB 3.92Å; I220-H315 HydrophobicContact CG1-CB 3.91Å; I220-H315 PolarHBondContact N-ND1 2.95Å; I220-H315 VanDerWaalsContact N-ND1 3.1Å; P266-H315 PolarHBondContact O-CE1 3.19Å; P266-H315 VanDerWaalsContact O-CE1 3.24Å; P266-H315 PolarHBondContact O-NE2 3.36Å; G267-H315 PolarHBondContact O-NE2 2.87Å; I269-H315 VanDerWaalsContact CD1-CD2 3.49Å; I269-H315 WeakPolarHBondContact CD1-CD2 3.34Å; T311-H315 WeakPolarHBondContact O-CB 3.4Å; T311-H315 PolarHBondContact O-N 3.42Å; I312-H315 PolarHBondContact O-N 2.72Å; H313-H315 VanDerWaalsContact C-N 3.31Å; H313-H315 PolarHBondContact O-N 2.78Å; H315-E317 PolarHBondContact O-N 3.16Å; H315-T318 VanDerWaalsContact O-CB 3.27Å; H315-T318 WeakPolarHBondContact O-CB 3.42Å; H315-T318 PolarHBondContact O-N 3.2Å; H315-V319 WeakPolarHBondContact O-CG2 3.44Å; H315-V319 PolarHBondContact O-N 3.33Å
316	N	95.6	Very high	88.1	Confident	16 Å²	16	59.1 Å²	59.1	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-43	177.7	-82.7	-6.7	0	0	0	112.4	I269 I312 H313 T318 V319 R320	I269-N316 PolarHBondContact N-OD1 2.77Å; I269-N316 PolarHBondContact O-ND2 3.44Å; I312-N316 PolarHBondContact O-N 3.18Å; H313-N316 PolarHBondContact O-N 3.11Å; H313-N316 VanDerWaalsContact O-N 3.17Å; N316-T318 VanDerWaalsContact C-N 3.32Å; N316-T318 PolarHBondContact O-N 2.9Å; N316-V319 PolarHBondContact O-N 3.5Å; N316-R320 WeakPolarHBondContact O-CB 3.3Å; N316-R320 VanDerWaalsContact O-CG 3.27Å; N316-R320 WeakPolarHBondContact O-CG 3.07Å; N316-R320 PolarHBondContact O-N 3.2Å
317	E	93.2	Very high	86.1	Confident	74 Å²	74	61.3 Å²	61.3	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174.9	-71.7	-57.7	109.5	0	0	111.5	H313 H315 R320 I321	H313-E317 WeakPolarHBondContact O-CG 3.43Å; H313-E317 PolarHBondContact O-N 2.95Å; H315-E317 PolarHBondContact O-N 3.16Å; E317-R320 PolarHBondContact O-N 2.8Å; E317-R320 IonicContact OE1-CZ 3.46Å; E317-R320 IonicContact OE1-NH1 3.26Å; E317-R320 PolarHBondContact OE1-NH1 3.5Å; E317-I321 VanDerWaalsContact O-CG1 3.31Å; E317-I321 WeakPolarHBondContact O-CG1 3.47Å; E317-I321 PolarHBondContact O-N 3.15Å
318	T	91.3	Very high	84.2	Confident	7 Å²	7	67.8 Å²	67.8	4%	0.043	35%	0.346	C	S	.	.	H	α-helix	trans	-56.3	-51	174	-77.2	0	0	0	0	111.9	I215 C219 L314 H315 N316 R320 I321 M322	I215-T318 HydrophobicContact CG2-CG2 3.12Å; C219-T318 WeakPolarHBondContact SG-CG2 3.26Å; L314-T318 VanDerWaalsContact O-CB 3.22Å; L314-T318 WeakPolarHBondContact O-CB 3.36Å; L314-T318 PolarHBondContact O-N 3.06Å; L314-T318 PolarHBondContact O-OG1 3.34Å; H315-T318 VanDerWaalsContact O-CB 3.27Å; H315-T318 WeakPolarHBondContact O-CB 3.42Å; H315-T318 PolarHBondContact O-N 3.2Å; N316-T318 VanDerWaalsContact C-N 3.32Å; N316-T318 PolarHBondContact O-N 2.9Å; T318-R320 VanDerWaalsContact C-N 3.34Å; T318-R320 PolarHBondContact O-N 3.03Å; T318-I321 PolarHBondContact O-N 3.2Å; T318-M322 HydrophobicContact CG2-CE 4.01Å; T318-M322 PolarHBondContact O-N 2.97Å
319	V	92.1	Very high	81.7	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-41.3	-179.4	174.9	0	0	0	0	110.4	M152 I268 H315 N316 I321 M322 Q323	M152-V319 HydrophobicContact CE-CG2 3.9Å; M152-V319 WeakPolarHBondContact O-CG1 3.43Å; I268-V319 HydrophobicContact CD1-CB 3.71Å; I268-V319 HydrophobicContact CD1-CG1 3.47Å; I268-V319 VanDerWaalsContact CD1-CG1 3.47Å; I268-V319 HydrophobicContact CG1-CG1 3.85Å; H315-V319 WeakPolarHBondContact O-CG2 3.44Å; H315-V319 PolarHBondContact O-N 3.33Å; N316-V319 PolarHBondContact O-N 3.5Å; V319-I321 VanDerWaalsContact C-N 3.32Å; V319-I321 PolarHBondContact O-N 2.62Å; V319-M322 WeakPolarHBondContact O-CB 3.5Å; V319-M322 PolarHBondContact O-N 3.4Å; V319-Q323 WeakPolarHBondContact O-CG 3.49Å; V319-Q323 PolarHBondContact O-N 2.93Å
320	R	91.8	Very high	81.1	Confident	117 Å²	117	77.9 Å²	77.9	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-39.4	176.1	-74	171	-177.6	153.3	0.6	112.9	I268 N316 E317 T318 M322 Q323	I268-R320 HydrophobicContact CD1-CG 3.69Å; N316-R320 WeakPolarHBondContact O-CB 3.3Å; N316-R320 VanDerWaalsContact O-CG 3.27Å; N316-R320 WeakPolarHBondContact O-CG 3.07Å; N316-R320 PolarHBondContact O-N 3.2Å; E317-R320 PolarHBondContact O-N 2.8Å; E317-R320 IonicContact OE1-CZ 3.46Å; E317-R320 IonicContact OE1-NH1 3.26Å; E317-R320 PolarHBondContact OE1-NH1 3.5Å; T318-R320 VanDerWaalsContact C-N 3.34Å; T318-R320 PolarHBondContact O-N 3.03Å; R320-M322 PolarHBondContact O-N 2.77Å; R320-Q323 PolarHBondContact O-N 3.2Å
321	I	88.8	Confident	80.5	Confident	90 Å²	90	77.5 Å²	77.5	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-27.9	176.1	-67.8	163.6	0	0	0	111.7	I215 E317 T318 V319	I215-I321 HydrophobicContact CD1-CG2 4.26Å; E317-I321 VanDerWaalsContact O-CG1 3.31Å; E317-I321 WeakPolarHBondContact O-CG1 3.47Å; E317-I321 PolarHBondContact O-N 3.15Å; T318-I321 PolarHBondContact O-N 3.2Å; V319-I321 VanDerWaalsContact C-N 3.32Å; V319-I321 PolarHBondContact O-N 2.62Å
322	M	85.3	Confident	79.9	Confident	14 Å²	14	80.1 Å²	80.1	7%	0.069	42%	0.418	C	S	.	.	H	α-helix	trans	-81.5	-23.5	177.8	-62	-176.6	-173.5	0	0	113.4	M152 K153 I215 T216 T318 V319 R320	M152-M322 HydrophobicContact CB-SD 4.48Å; M152-M322 HydrophobicContact CE-CE 4.11Å; M152-M322 HydrophobicContact CE-SD 3.77Å; K153-M322 HydrophobicContact CG-CB 4.27Å; K153-M322 WeakPolarHBondContact CG-O 3.42Å; I215-M322 HydrophobicContact CB-CE 4.29Å; I215-M322 HydrophobicContact CG2-CE 3.68Å; T216-M322 HydrophobicContact CG2-CE 3.51Å; T318-M322 HydrophobicContact CG2-CE 4.01Å; T318-M322 PolarHBondContact O-N 2.97Å; V319-M322 WeakPolarHBondContact O-CB 3.5Å; V319-M322 PolarHBondContact O-N 3.4Å; R320-M322 PolarHBondContact O-N 2.77Å
323	Q	86	Confident	79	Confident	72 Å²	72	84.5 Å²	84.5	34%	0.336	44%	0.442	S	S	.	.	S	Bend	trans	-64	135.7	180	-60.1	-172.8	-59.2	0	0	109.1	K153 V319 R320 T325	K153-Q323 WeakPolarHBondContact O-CG 3.41Å; V319-Q323 WeakPolarHBondContact O-CG 3.49Å; V319-Q323 PolarHBondContact O-N 2.93Å; R320-Q323 PolarHBondContact O-N 3.2Å; Q323-T325 PolarHBondContact O-N 3.06Å
324	P	78.9	Confident	78	Confident	97 Å²	97	82.8 Å²	82.8	63%	0.63	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-57.1	136.3	173.3	24.6	-31.7	0	0	0	108.5	L326	P324-L326 PolarHBondContact O-N 2.69Å; P324-L326 VanDerWaalsContact O-N 3.11Å
325	T	67.3	Low	77	Confident	111 Å²	111	82.1 Å²	82.1	68%	0.681	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-57.5	122.9	164.8	47.8	0	0	0	0	106.2	Q323 D327	Q323-T325 PolarHBondContact O-N 3.06Å; T325-D327 PolarHBondContact O-N 3.46Å; T325-D327 PolarHBondContact OG1-OD1 3.35Å; T325-D327 VanDerWaalsContact OG1-OD1 3.09Å
326	L	58	Low	75.7	Confident	141 Å²	141	88 Å²	88	74%	0.738	46%	0.464	S	S	*	.			trans	-64.6	86.6	165.5	-78	161.8	0	0	0	105.6	P324 H328	P324-L326 PolarHBondContact O-N 2.69Å; P324-L326 VanDerWaalsContact O-N 3.11Å; L326-H328 PolarHBondContact O-N 3.17Å
327	D	47.5	Very low	74.2	Confident	125 Å²	125	93.5 Å²	93.5	67%	0.668	49%	0.493	S	S	*	.			trans	-65.8	91.9	165.2	-75.3	-0.1	0	0	0	104.9	T325 T329	T325-D327 PolarHBondContact O-N 3.46Å; T325-D327 PolarHBondContact OG1-OD1 3.35Å; T325-D327 VanDerWaalsContact OG1-OD1 3.09Å; D327-T329 PolarHBondContact O-N 2.99Å
328	H	48.1	Very low	72.6	Confident	171 Å²	171	95.2 Å²	95.2	79%	0.792	51%	0.506	S	S	*	.			trans	-67.9	76.7	165.3	-65.3	-61.3	0	0	0	107.7	L326	L326-H328 PolarHBondContact O-N 3.17Å
329	T	36.5	Very low	70.9	Confident	197 Å²	197	103.2 Å²	103.2	100%	1.209	55%	0.548	S	S	*	.			trans	-93.5	0	156.2	52.5	0	0	0	0	109.6	D327	D327-T329 PolarHBondContact O-N 2.99Å

Retrieved 329 of 329 residues in 193.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).