A0A077Z6W3_TRITR Loading...

DNA-3-methyladenine glycosylase

Hydrolysis of the deoxyribose N-glycosidic bond to excise 3-methyladenine, and 7-methylguanine from the damaged DNA polymer formed by alkylation lesions.

AlphaFold DB , UniProt , Accession A0A077Z6W3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 275 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.6	Confident	94	Very high	73 Å²	73	72.9 Å²	72.9	36%	0.36	36%	0.359	S	S	.	.				0	131.4	0	-172.5	-178.9	-59.1	0	0	110	L3 L26 R42 L113 E114 E174	M1-L3 HydrophobicContact CB-CD2 4.46Å; M1-L3 HydrophobicContact CG-CD2 3.83Å; M1-L3 HydrophobicContact SD-CD2 3.71Å; M1-L26 HydrophobicContact SD-CD1 3.26Å; M1-L26 WeakPolarHBondContact SD-CD1 3.43Å; M1-R42 PolarHBondContact O-NH1 2.87Å; M1-R42 PolarHBondContact O-NH2 3.41Å; M1-L113 HydrophobicContact CE-CD1 4.4Å; M1-E114 WeakPolarHBondContact CB-OE1 3.1Å; M1-E114 PolarHBondContact N-OE1 2.99Å; M1-E174 WeakPolarHBondContact CE-OE1 3.46Å; M1-E174 HydrophobicContact CG-CB 4.47Å; M1-E174 HydrophobicContact CG-CG 3.59Å; M1-E174 WeakPolarHBondContact CG-OE1 2.91Å; M1-E174 HydrophobicContact SD-CB 4.06Å; M1-E174 HydrophobicContact SD-CG 3.63Å
2	E	89	Confident	94.4	Very high	142 Å²	142	74.3 Å²	74.3	66%	0.664	37%	0.369	S	S	*	.			trans	-84.5	139.1	171.5	-173.3	178.8	-175.1	0	0	109.8	V175	E2-V175 HydrophobicContact CB-CB 4.04Å; E2-V175 HydrophobicContact CB-CG2 4.26Å; E2-V175 HydrophobicContact CG-CB 3.99Å; E2-V175 HydrophobicContact CG-CG2 3.81Å; E2-V175 PolarHBondContact O-N 3.14Å
3	L	92.1	Very high	94.7	Very high	37 Å²	37	73.5 Å²	73.5	19%	0.194	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.8	-165.3	-60.4	177.9	0	0	0	111.1	M1 L26 V28 F170 A172 D173	M1-L3 HydrophobicContact CB-CD2 4.46Å; M1-L3 HydrophobicContact CG-CD2 3.83Å; M1-L3 HydrophobicContact SD-CD2 3.71Å; L3-L26 HydrophobicContact CD2-CD1 3.37Å; L3-V28 HydrophobicContact CD1-CG1 4.38Å; L3-V28 HydrophobicContact CD1-CG2 3.94Å; L3-F170 HydrophobicContact CD1-CE2 4.34Å; L3-A172 HydrophobicContact CB-CB 3.99Å; L3-A172 HydrophobicContact CD2-CB 4.23Å; L3-A172 HydrophobicContact CG-CB 4.48Å; L3-D173 WeakPolarHBondContact CA-O 3.28Å
4	I	93.3	Very high	95	Very high	103 Å²	103	73.8 Å²	73.8	53%	0.528	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.7	167.8	-66.9	164.7	0	0	0	107.7	A172 D173 V175	I4-A172 CarbonylContact O-C 3.59Å; I4-A172 WeakPolarHBondContact O-CA 3.42Å; I4-A172 VanDerWaalsContact O-CB 3.31Å; I4-A172 WeakPolarHBondContact O-CB 3.47Å; I4-D173 PolarHBondContact N-O 3.28Å; I4-D173 PolarHBondContact O-N 2.92Å; I4-V175 HydrophobicContact CD1-CG2 3.61Å; I4-V175 HydrophobicContact CG1-CG2 3.54Å
5	R	95.1	Very high	95.2	Very high	107 Å²	107	69.1 Å²	69.1	40%	0.404	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.4	179.9	-68.5	-168.4	176.4	171.6	5.2	110.6	S166 D167 F170 F171	R5-S166 PolarHBondContact NH1-O 3.2Å; R5-D167 IonicContact CZ-OD1 2.68Å; R5-D167 VanDerWaalsContact CZ-OD1 3.28Å; R5-D167 IonicContact NH1-OD1 3.81Å; R5-D167 PolarHBondContact NH1-OD1 3.19Å; R5-D167 IonicContact NH2-OD1 3.96Å; R5-D167 PolarHBondContact NH2-OD1 3.37Å; R5-F170 HydrophobicContact CG-CD2 3.69Å; R5-F170 HydrophobicContact CG-CE2 3.94Å; R5-F170 HydrophobicContact CG-CG 4.3Å; R5-F171 WeakPolarHBondContact CA-O 3.34Å
6	L	96.4	Very high	95.4	Very high	16 Å²	16	66.6 Å²	66.6	8%	0.084	33%	0.33	C	S	.	.			trans	-76.6	141.1	167	-53.7	-173.1	0	0	0	109.2	F10 F11 K25 F171 D173	L6-F10 HydrophobicContact CB-CB 4.25Å; L6-F10 HydrophobicContact CB-CG 4.31Å; L6-F10 HydrophobicContact CD1-CD1 3.75Å; L6-F10 HydrophobicContact CD1-CD2 4.05Å; L6-F10 HydrophobicContact CD1-CE1 3.78Å; L6-F10 HydrophobicContact CD1-CE2 4.07Å; L6-F10 HydrophobicContact CD1-CG 3.89Å; L6-F10 HydrophobicContact CD1-CZ 3.94Å; L6-F10 HydrophobicContact CD2-CD2 4.48Å; L6-F11 HydrophobicContact CB-CE2 4.17Å; L6-F11 HydrophobicContact CB-CZ 4.33Å; L6-K25 HydrophobicContact CD1-CB 4.48Å; L6-K25 HydrophobicContact CD1-CD 4.17Å; L6-K25 HydrophobicContact CD1-CG 4.15Å; L6-F171 HydrophobicContact CB-CB 4.09Å; L6-F171 HydrophobicContact CD1-CB 3.68Å; L6-F171 HydrophobicContact CG-CB 3.9Å; L6-F171 PolarHBondContact N-O 3.13Å; L6-D173 WeakPolarHBondContact CD2-OD2 3.4Å
7	D	95.5	Very high	95.5	Very high	81 Å²	81	68.6 Å²	68.6	43%	0.433	34%	0.338	S	S	.	.			trans	-106	-174.4	-179.4	64.8	22.9	0	0	0	112.2	E9 F10 F11	D7-E9 PolarHBondContact O-N 3.17Å; D7-E9 WeakPolarHBondContact OD1-CB 3.07Å; D7-E9 PolarHBondContact OD1-N 3.28Å; D7-F10 WeakPolarHBondContact O-CB 3.4Å; D7-F10 PolarHBondContact O-N 3.25Å; D7-F10 PolarHBondContact OD1-N 3.15Å; D7-F11 WeakPolarHBondContact O-CD2 3.35Å; D7-F11 WeakPolarHBondContact O-CE2 3.14Å
8	S	96.2	Very high	95.7	Very high	66 Å²	66	64.8 Å²	64.8	46%	0.462	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-25.9	-179.7	49.5	0	0	0	0	113.9	F10 F11 N12	S8-F10 VanDerWaalsContact C-N 3.28Å; S8-F10 PolarHBondContact O-N 2.91Å; S8-F11 PolarHBondContact O-N 3.01Å; S8-N12 VanDerWaalsContact O-CB 3.25Å; S8-N12 WeakPolarHBondContact O-CB 3.38Å; S8-N12 PolarHBondContact O-N 3.06Å
9	E	97.8	Very high	95.8	Very high	148 Å²	148	61.4 Å²	61.4	69%	0.692	30%	0.303	S	S	*	.	H	α-helix	trans	-66.7	-36.1	179.3	-61	-171.4	168.7	0	0	110.6	D7 F11 R13	D7-E9 PolarHBondContact O-N 3.17Å; D7-E9 WeakPolarHBondContact OD1-CB 3.07Å; D7-E9 PolarHBondContact OD1-N 3.28Å; E9-F11 VanDerWaalsContact C-N 3.31Å; E9-F11 PolarHBondContact O-N 3.02Å; E9-R13 WeakPolarHBondContact O-CG 3.46Å
10	F	97.7	Very high	95.9	Very high	28 Å²	28	60.2 Å²	60.2	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-41.8	174.6	-177.7	-89.5	0	0	0	112.3	L6 D7 S8 R13 V18 D21 L22 K25	L6-F10 HydrophobicContact CB-CB 4.25Å; L6-F10 HydrophobicContact CB-CG 4.31Å; L6-F10 HydrophobicContact CD1-CD1 3.75Å; L6-F10 HydrophobicContact CD1-CD2 4.05Å; L6-F10 HydrophobicContact CD1-CE1 3.78Å; L6-F10 HydrophobicContact CD1-CE2 4.07Å; L6-F10 HydrophobicContact CD1-CG 3.89Å; L6-F10 HydrophobicContact CD1-CZ 3.94Å; L6-F10 HydrophobicContact CD2-CD2 4.48Å; D7-F10 WeakPolarHBondContact O-CB 3.4Å; D7-F10 PolarHBondContact O-N 3.25Å; D7-F10 PolarHBondContact OD1-N 3.15Å; S8-F10 VanDerWaalsContact C-N 3.28Å; S8-F10 PolarHBondContact O-N 2.91Å; F10-R13 VanDerWaalsContact CE2-NH2 3.29Å; F10-R13 PolarHBondContact O-NE 2.8Å; F10-R13 PolarHBondContact O-NH2 3.01Å; F10-V18 HydrophobicContact CE1-CG1 4.13Å; F10-V18 WeakPolarHBondContact O-CG2 3.26Å; F10-D21 HydrophobicContact CE2-CB 3.91Å; F10-D21 HydrophobicContact CZ-CB 3.74Å; F10-L22 HydrophobicContact CE1-CD2 3.73Å; F10-L22 HydrophobicContact CE1-CG 3.91Å; F10-L22 HydrophobicContact CZ-CD2 4.23Å; F10-L22 HydrophobicContact CZ-CG 4.27Å; F10-K25 HydrophobicContact CZ-CG 4.45Å
11	F	98.5	Very high	96	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-87.2	-24.7	-176.5	-58.4	-77	0	0	0	113.8	L6 D7 S8 E9 R13 V18 L22 P79 I96 T98 K99 C164 F171	L6-F11 HydrophobicContact CB-CE2 4.17Å; L6-F11 HydrophobicContact CB-CZ 4.33Å; D7-F11 WeakPolarHBondContact O-CD2 3.35Å; D7-F11 WeakPolarHBondContact O-CE2 3.14Å; S8-F11 PolarHBondContact O-N 3.01Å; E9-F11 VanDerWaalsContact C-N 3.31Å; E9-F11 PolarHBondContact O-N 3.02Å; F11-R13 PolarHBondContact O-N 3.3Å; F11-V18 HydrophobicContact CD1-CG1 4.21Å; F11-L22 HydrophobicContact CE1-CD2 4.26Å; F11-P79 HydrophobicContact CB-CB 3.82Å; F11-P79 WeakPolarHBondContact O-CB 3.45Å; F11-I96 HydrophobicContact CD1-CG2 3.65Å; F11-I96 HydrophobicContact CE1-CG2 3.82Å; F11-I96 HydrophobicContact CG-CG2 4.42Å; F11-T98 WeakPolarHBondContact O-CA 3.25Å; F11-K99 PolarHBondContact O-N 3.11Å; F11-C164 WeakPolarHBondContact CD2-SG 3.26Å; F11-F171 AromaticContact CE1-CD2 3.81Å; F11-F171 HydrophobicContact CE1-CD2 3.81Å; F11-F171 AromaticContact CE1-CE2 3.92Å; F11-F171 HydrophobicContact CE1-CE2 3.92Å; F11-F171 HydrophobicContact CE1-CG 4.46Å; F11-F171 HydrophobicContact CE2-CD2 4.37Å; F11-F171 HydrophobicContact CZ-CB 4.12Å; F11-F171 AromaticContact CZ-CD2 3.33Å; F11-F171 HydrophobicContact CZ-CD2 3.33Å; F11-F171 AromaticContact CZ-CE2 3.9Å; F11-F171 HydrophobicContact CZ-CE2 3.9Å; F11-F171 AromaticContact CZ-CG 3.91Å; F11-F171 HydrophobicContact CZ-CG 3.91Å
12	N	98.4	Very high	96.7	Very high	90 Å²	90	57 Å²	57	48%	0.481	28%	0.281	S	S	.	.	S	Bend	trans	-78.3	47.5	178.7	-168.5	23.2	0	0	0	112.5	S8 P79	S8-N12 VanDerWaalsContact O-CB 3.25Å; S8-N12 WeakPolarHBondContact O-CB 3.38Å; S8-N12 PolarHBondContact O-N 3.06Å; N12-P79 HydrophobicContact CB-CB 4.11Å; N12-P79 HydrophobicContact CB-CG 4.05Å
13	R	98.5	Very high	97.1	Very high	64 Å²	64	50.4 Å²	50.4	24%	0.242	25%	0.251	C	S	.	.	S	Bend	trans	-132.9	174.4	179.4	-60.5	-175.5	-61.4	137.2	-4.5	110.1	E9 F10 F11 V18 D21 K99	E9-R13 WeakPolarHBondContact O-CG 3.46Å; F10-R13 VanDerWaalsContact CE2-NH2 3.29Å; F10-R13 PolarHBondContact O-NE 2.8Å; F10-R13 PolarHBondContact O-NH2 3.01Å; F11-R13 PolarHBondContact O-N 3.3Å; R13-V18 HydrophobicContact CB-CG2 3.87Å; R13-D21 IonicContact CZ-OD2 3.74Å; R13-D21 IonicContact NH1-OD2 2.89Å; R13-D21 PolarHBondContact NH1-OD2 2.63Å; R13-D21 IonicContact NH2-OD2 3.63Å; R13-D21 PolarHBondContact NH2-OD2 3.31Å; R13-K99 WeakPolarHBondContact O-CB 3.48Å; R13-K99 PolarHBondContact O-N 2.74Å; R13-K99 VanDerWaalsContact O-N 3.17Å
14	D	98.3	Very high	97.2	Very high	77 Å²	77	49.7 Å²	49.7	41%	0.412	25%	0.252	S	S	.	.			trans	-54.4	140.3	179.4	174.8	-95.5	0	0	0	112	V16 E17 V18	D14-V16 VanDerWaalsContact C-N 3.29Å; D14-V16 PolarHBondContact O-N 3.13Å; D14-V16 WeakPolarHBondContact OD1-CA 3.4Å; D14-V16 VanDerWaalsContact OD1-CB 3.26Å; D14-V16 WeakPolarHBondContact OD1-CB 3.34Å; D14-V16 PolarHBondContact OD1-N 3.34Å; D14-E17 HydrophobicContact CB-CB 4.21Å; D14-E17 HydrophobicContact CB-CG 3.98Å; D14-E17 PolarHBondContact O-N 3.19Å; D14-E17 PolarHBondContact OD1-N 3Å; D14-V18 WeakPolarHBondContact O-CG2 3.4Å; D14-V18 PolarHBondContact O-N 3.14Å
15	C	98.5	Very high	97.3	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-35.7	-174.3	-177.4	0	0	0	0	112.7	A19 Y53 L54 T98 A103 A104	C15-A19 VanDerWaalsContact O-CB 3.26Å; C15-A19 WeakPolarHBondContact O-CB 3.39Å; C15-A19 PolarHBondContact O-N 2.75Å; C15-Y53 PolarHBondContact SG-O 2.91Å; C15-L54 HydrophobicContact CB-CD2 4.16Å; C15-T98 WeakPolarHBondContact CB-OG1 3.36Å; C15-A103 HydrophobicContact CB-CB 4.14Å; C15-A104 PolarHBondContact SG-O 3.43Å; C15-A104 VanDerWaalsContact SG-O 3.39Å
16	V	98.4	Very high	97.4	Very high	29 Å²	29	41.3 Å²	41.3	18%	0.176	22%	0.215	C	C	.	.	H	α-helix	trans	-72.5	-42.6	177.7	171.1	0	0	0	0	110.9	D14 A19 K20 A52 L54 L206 F208	D14-V16 VanDerWaalsContact C-N 3.29Å; D14-V16 PolarHBondContact O-N 3.13Å; D14-V16 WeakPolarHBondContact OD1-CA 3.4Å; D14-V16 VanDerWaalsContact OD1-CB 3.26Å; D14-V16 WeakPolarHBondContact OD1-CB 3.34Å; D14-V16 PolarHBondContact OD1-N 3.34Å; V16-A19 PolarHBondContact O-N 3.2Å; V16-K20 HydrophobicContact CG1-CD 4.45Å; V16-K20 WeakPolarHBondContact O-CG 3.33Å; V16-K20 PolarHBondContact O-N 2.77Å; V16-A52 HydrophobicContact CG2-CB 4.19Å; V16-L54 HydrophobicContact CG2-CD2 3.85Å; V16-L206 HydrophobicContact CG2-CD2 3.9Å; V16-F208 HydrophobicContact CB-CZ 4.37Å; V16-F208 HydrophobicContact CG1-CE1 4Å; V16-F208 HydrophobicContact CG1-CE2 4.49Å; V16-F208 HydrophobicContact CG1-CZ 3.61Å; V16-F208 HydrophobicContact CG2-CZ 4.37Å
17	E	97.9	Very high	97.5	Very high	102 Å²	102	40.5 Å²	40.5	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-50.1	175.1	-67.1	-179.4	171.4	0	0	111.1	D14 A19 K20 D21	D14-E17 HydrophobicContact CB-CB 4.21Å; D14-E17 HydrophobicContact CB-CG 3.98Å; D14-E17 PolarHBondContact O-N 3.19Å; D14-E17 PolarHBondContact OD1-N 3Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 3.02Å; E17-K20 PolarHBondContact O-N 3.33Å; E17-D21 WeakPolarHBondContact O-CB 3.5Å; E17-D21 VanDerWaalsContact O-CG 3.31Å; E17-D21 PolarHBondContact O-N 2.68Å
18	V	98.4	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-41.4	177.3	177.3	0	0	0	0	111.1	F10 F11 R13 D14 K20 D21 L22 T98 V105	F10-V18 HydrophobicContact CE1-CG1 4.13Å; F10-V18 WeakPolarHBondContact O-CG2 3.26Å; F11-V18 HydrophobicContact CD1-CG1 4.21Å; R13-V18 HydrophobicContact CB-CG2 3.87Å; D14-V18 WeakPolarHBondContact O-CG2 3.4Å; D14-V18 PolarHBondContact O-N 3.14Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.28Å; V18-D21 PolarHBondContact O-N 2.8Å; V18-L22 HydrophobicContact CG1-CD1 3.89Å; V18-L22 HydrophobicContact CG1-CG 4.16Å; V18-L22 WeakPolarHBondContact O-CB 3.11Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 2.65Å; V18-T98 HydrophobicContact CB-CG2 3.9Å; V18-T98 HydrophobicContact CG1-CG2 3.79Å; V18-T98 HydrophobicContact CG2-CG2 4.11Å; V18-V105 HydrophobicContact CB-CG2 4.35Å; V18-V105 HydrophobicContact CG1-CG2 4.16Å
19	A	98.5	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-40.7	179	0	0	0	0	0	112.6	C15 V16 E17 T50 A52 V105 F208	C15-A19 VanDerWaalsContact O-CB 3.26Å; C15-A19 WeakPolarHBondContact O-CB 3.39Å; C15-A19 PolarHBondContact O-N 2.75Å; V16-A19 PolarHBondContact O-N 3.2Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 3.02Å; A19-T50 PolarHBondContact O-OG1 2.93Å; A19-A52 HydrophobicContact CB-CB 4.08Å; A19-V105 HydrophobicContact CB-CB 4.46Å; A19-V105 HydrophobicContact CB-CG1 3.81Å; A19-V105 HydrophobicContact CB-CG2 3.78Å; A19-F208 HydrophobicContact CB-CD2 3.6Å; A19-F208 HydrophobicContact CB-CE2 3.63Å
20	K	97.8	Very high	97.8	Very high	36 Å²	36	29.4 Å²	29.4	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-69.3	-48.5	175.2	-71.5	177.1	175.9	-174.7	0	111.5	V16 E17 V18 L22 L23 E184 I187 F208	V16-K20 HydrophobicContact CG1-CD 4.45Å; V16-K20 WeakPolarHBondContact O-CG 3.33Å; V16-K20 PolarHBondContact O-N 2.77Å; E17-K20 PolarHBondContact O-N 3.33Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.28Å; K20-L22 PolarHBondContact O-N 2.87Å; K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 VanDerWaalsContact O-CG 3.31Å; K20-L23 WeakPolarHBondContact O-CG 3.16Å; K20-L23 PolarHBondContact O-N 2.95Å; K20-E184 IonicContact NZ-OE1 3.35Å; K20-E184 PolarHBondContact NZ-OE1 2.67Å; K20-I187 HydrophobicContact CB-CD1 4.1Å; K20-I187 HydrophobicContact CG-CD1 4.45Å; K20-F208 HydrophobicContact CD-CD1 4.34Å; K20-F208 HydrophobicContact CD-CE1 4.31Å; K20-F208 HydrophobicContact CG-CD1 3.56Å; K20-F208 HydrophobicContact CG-CE1 3.85Å; K20-F208 HydrophobicContact CG-CG 3.97Å
21	D	96.6	Very high	97.7	Very high	67 Å²	67	28.7 Å²	28.7	36%	0.358	15%	0.148	S	C	.	.	H	α-helix	trans	-70.7	-20.2	-174.5	-72.6	-6.3	0	0	0	113.6	F10 R13 E17 V18 L23 K25	F10-D21 HydrophobicContact CE2-CB 3.91Å; F10-D21 HydrophobicContact CZ-CB 3.74Å; R13-D21 IonicContact CZ-OD2 3.74Å; R13-D21 IonicContact NH1-OD2 2.89Å; R13-D21 PolarHBondContact NH1-OD2 2.63Å; R13-D21 IonicContact NH2-OD2 3.63Å; R13-D21 PolarHBondContact NH2-OD2 3.31Å; E17-D21 WeakPolarHBondContact O-CB 3.5Å; E17-D21 VanDerWaalsContact O-CG 3.31Å; E17-D21 PolarHBondContact O-N 2.68Å; V18-D21 PolarHBondContact O-N 2.8Å; D21-L23 PolarHBondContact O-N 3.08Å; D21-K25 VanDerWaalsContact O-CE 3.27Å; D21-K25 WeakPolarHBondContact O-CE 3.32Å; D21-K25 WeakPolarHBondContact O-CG 3.31Å
22	L	97.5	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.4	170	-83.6	172.3	0	0	0	112.3	F10 F11 V18 K20 G24 K25 L47 T50 V105 L107 F171	F10-L22 HydrophobicContact CE1-CD2 3.73Å; F10-L22 HydrophobicContact CE1-CG 3.91Å; F10-L22 HydrophobicContact CZ-CD2 4.23Å; F10-L22 HydrophobicContact CZ-CG 4.27Å; F11-L22 HydrophobicContact CE1-CD2 4.26Å; V18-L22 HydrophobicContact CG1-CD1 3.89Å; V18-L22 HydrophobicContact CG1-CG 4.16Å; V18-L22 WeakPolarHBondContact O-CB 3.11Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 2.65Å; K20-L22 PolarHBondContact O-N 2.87Å; L22-G24 PolarHBondContact O-N 2.83Å; L22-K25 WeakPolarHBondContact O-CB 3.33Å; L22-K25 PolarHBondContact O-N 2.86Å; L22-K25 VanDerWaalsContact O-N 3.12Å; L22-L47 HydrophobicContact CB-CD1 3.92Å; L22-L47 HydrophobicContact CD2-CD1 4.11Å; L22-L47 HydrophobicContact CG-CD1 4.46Å; L22-L47 WeakPolarHBondContact O-CB 3.48Å; L22-T50 HydrophobicContact CB-CG2 4.15Å; L22-V105 HydrophobicContact CD1-CB 4.23Å; L22-V105 HydrophobicContact CD1-CG1 3.92Å; L22-L107 HydrophobicContact CD1-CD2 4.22Å; L22-F171 HydrophobicContact CD2-CD1 3.76Å; L22-F171 HydrophobicContact CD2-CE1 3.75Å; L22-F171 HydrophobicContact CD2-CG 4.28Å; L22-F171 HydrophobicContact CD2-CZ 4.21Å
23	L	97.3	Very high	96.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	132.1	175.1	-59.2	177.1	0	0	0	109.9	K20 D21 K25 T50 V182 I187 F208 L210	K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 VanDerWaalsContact O-CG 3.31Å; K20-L23 WeakPolarHBondContact O-CG 3.16Å; K20-L23 PolarHBondContact O-N 2.95Å; D21-L23 PolarHBondContact O-N 3.08Å; L23-K25 PolarHBondContact O-N 2.94Å; L23-T50 HydrophobicContact CD2-CG2 4.15Å; L23-V182 VanDerWaalsContact O-CG2 3.25Å; L23-V182 WeakPolarHBondContact O-CG2 3.21Å; L23-I187 HydrophobicContact CD1-CB 4.4Å; L23-I187 HydrophobicContact CD1-CD1 4Å; L23-I187 HydrophobicContact CD1-CG1 3.88Å; L23-I187 HydrophobicContact CD1-CG2 3.75Å; L23-F208 HydrophobicContact CD1-CB 3.93Å; L23-L210 HydrophobicContact CB-CD2 3.96Å; L23-L210 HydrophobicContact CB-CG 4.37Å; L23-L210 HydrophobicContact CD1-CD2 4.25Å
24	G	95.1	Very high	96.1	Very high	22 Å²	22	32.5 Å²	32.5	23%	0.227	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-15.4	-174.7	0	0	0	0	0	114.8	L22 R46 L47	L22-G24 PolarHBondContact O-N 2.83Å; G24-R46 WeakPolarHBondContact O-CG 3.37Å; G24-L47 PolarHBondContact N-O 2.9Å
25	K	95.9	Very high	95.1	Very high	32 Å²	32	33.3 Å²	33.3	14%	0.139	19%	0.192	C	C	.	.			trans	-70.7	154.5	173.7	-55.8	-61.3	179.7	-179.3	0	111.3	L6 F10 D21 L22 L23 R46 L47 D173	L6-K25 HydrophobicContact CD1-CB 4.48Å; L6-K25 HydrophobicContact CD1-CD 4.17Å; L6-K25 HydrophobicContact CD1-CG 4.15Å; F10-K25 HydrophobicContact CZ-CG 4.45Å; D21-K25 VanDerWaalsContact O-CE 3.27Å; D21-K25 WeakPolarHBondContact O-CE 3.32Å; D21-K25 WeakPolarHBondContact O-CG 3.31Å; L22-K25 WeakPolarHBondContact O-CB 3.33Å; L22-K25 PolarHBondContact O-N 2.86Å; L22-K25 VanDerWaalsContact O-N 3.12Å; L23-K25 PolarHBondContact O-N 2.94Å; K25-R46 WeakPolarHBondContact O-CA 3.45Å; K25-L47 PolarHBondContact O-N 2.73Å; K25-D173 WeakPolarHBondContact CD-OD1 3.44Å; K25-D173 WeakPolarHBondContact CE-OD1 3.44Å; K25-D173 IonicContact NZ-OD1 3.61Å; K25-D173 PolarHBondContact NZ-OD1 3.13Å; K25-D173 IonicContact NZ-OD2 3.86Å; K25-D173 PolarHBondContact NZ-OD2 2.94Å
26	L	97	Very high	93.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141	175.6	-56.7	177.4	0	0	0	110.3	M1 L3 V28 V44 V45 R46 L113 F171 A172 E174	M1-L26 HydrophobicContact SD-CD1 3.26Å; M1-L26 WeakPolarHBondContact SD-CD1 3.43Å; L3-L26 HydrophobicContact CD2-CD1 3.37Å; L26-V28 HydrophobicContact CB-CG2 4.26Å; L26-V44 HydrophobicContact CB-CG1 4.28Å; L26-V44 HydrophobicContact CD1-CG1 4.32Å; L26-V44 HydrophobicContact CD2-CG1 4.11Å; L26-V44 HydrophobicContact CG-CG1 4.49Å; L26-V45 CarbonylContact C-O 3.46Å; L26-V45 VanDerWaalsContact CA-O 3.32Å; L26-V45 WeakPolarHBondContact CA-O 3.09Å; L26-R46 HydrophobicContact CD2-CB 4Å; L26-L113 HydrophobicContact CD2-CD1 3.54Å; L26-F171 CarbonylContact O-C 2.78Å; L26-F171 VanDerWaalsContact O-CA 3.29Å; L26-F171 WeakPolarHBondContact O-CA 3.47Å; L26-A172 WeakPolarHBondContact CA-O 3.32Å; L26-A172 HydrophobicContact CB-CB 4.48Å; L26-A172 WeakPolarHBondContact CB-O 3.15Å; L26-A172 PolarHBondContact N-O 3.15Å; L26-A172 PolarHBondContact O-N 2.91Å; L26-E174 HydrophobicContact CD1-CB 3.94Å
27	F	98.3	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.7	169.7	-169.4	-137.8	0	0	0	108.8	V45 L47 I94 L107 L151 I153 L163 L169 F170 F171	F27-V45 HydrophobicContact CB-CG2 3.86Å; F27-V45 PolarHBondContact N-O 3.03Å; F27-V45 PolarHBondContact O-N 3.01Å; F27-V45 VanDerWaalsContact O-N 3.08Å; F27-L47 HydrophobicContact CB-CD2 4.47Å; F27-I94 HydrophobicContact CZ-CD1 3.94Å; F27-L107 HydrophobicContact CD1-CD1 3.93Å; F27-L107 HydrophobicContact CE1-CD1 3.67Å; F27-L107 HydrophobicContact CE2-CD1 4.43Å; F27-L107 HydrophobicContact CG-CD1 4.38Å; F27-L107 HydrophobicContact CZ-CD1 3.94Å; F27-L151 HydrophobicContact CD1-CD1 3.68Å; F27-L151 HydrophobicContact CE1-CD1 4.08Å; F27-I153 HydrophobicContact CD1-CD1 4.38Å; F27-I153 HydrophobicContact CE1-CD1 3.4Å; F27-I153 VanDerWaalsContact CE1-CD1 3.4Å; F27-I153 HydrophobicContact CZ-CD1 3.99Å; F27-L163 HydrophobicContact CE2-CD1 3.95Å; F27-L163 HydrophobicContact CZ-CD1 4.32Å; F27-L169 HydrophobicContact CD2-CD1 4.43Å; F27-L169 HydrophobicContact CE1-CD1 3.97Å; F27-L169 HydrophobicContact CE2-CD1 3.73Å; F27-L169 HydrophobicContact CE2-CD2 4.29Å; F27-L169 HydrophobicContact CE2-CG 3.74Å; F27-L169 HydrophobicContact CZ-CD1 3.49Å; F27-L169 VanDerWaalsContact CZ-CD1 3.49Å; F27-L169 HydrophobicContact CZ-CD2 3.76Å; F27-L169 HydrophobicContact CZ-CG 3.64Å; F27-F170 WeakPolarHBondContact CD2-O 3.19Å; F27-F171 HydrophobicContact CB-CD1 4.22Å; F27-F171 HydrophobicContact CB-CE1 4.1Å; F27-F171 AromaticContact CD2-CD1 3.63Å; F27-F171 HydrophobicContact CD2-CD1 3.63Å; F27-F171 HydrophobicContact CD2-CD2 4.28Å; F27-F171 AromaticContact CD2-CE1 3.36Å; F27-F171 HydrophobicContact CD2-CE1 3.36Å; F27-F171 HydrophobicContact CD2-CE2 4.12Å; F27-F171 HydrophobicContact CD2-CG 4.08Å; F27-F171 AromaticContact CD2-CZ 3.67Å; F27-F171 HydrophobicContact CD2-CZ 3.67Å; F27-F171 HydrophobicContact CE2-CD1 4.37Å; F27-F171 HydrophobicContact CE2-CD2 4.32Å; F27-F171 AromaticContact CE2-CE1 3.88Å; F27-F171 HydrophobicContact CE2-CE1 3.88Å; F27-F171 AromaticContact CE2-CE2 3.9Å; F27-F171 HydrophobicContact CE2-CE2 3.9Å; F27-F171 AromaticContact CE2-CZ 3.66Å; F27-F171 HydrophobicContact CE2-CZ 3.66Å; F27-F171 HydrophobicContact CG-CD1 4.27Å; F27-F171 AromaticContact CG-CE1 3.88Å; F27-F171 HydrophobicContact CG-CE1 3.88Å; F27-F171 HydrophobicContact CG-CZ 4.43Å; F27-F171 HydrophobicContact CZ-CZ 4.38Å
28	V	98.4	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.4	-163.2	-177.2	0	0	0	0	109.3	L3 L26 V44 L169 F170 A172	L3-V28 HydrophobicContact CD1-CG1 4.38Å; L3-V28 HydrophobicContact CD1-CG2 3.94Å; L26-V28 HydrophobicContact CB-CG2 4.26Å; V28-V44 HydrophobicContact CG1-CG2 4.21Å; V28-V44 HydrophobicContact CG2-CG1 4.28Å; V28-V44 HydrophobicContact CG2-CG2 4.27Å; V28-L169 VanDerWaalsContact O-CA 3.31Å; V28-L169 WeakPolarHBondContact O-CA 3.43Å; V28-F170 HydrophobicContact CB-CD2 4.08Å; V28-F170 HydrophobicContact CB-CE1 4.33Å; V28-F170 HydrophobicContact CB-CE2 3.71Å; V28-F170 HydrophobicContact CB-CZ 3.84Å; V28-F170 HydrophobicContact CG1-CE1 4.04Å; V28-F170 HydrophobicContact CG1-CE2 3.91Å; V28-F170 HydrophobicContact CG1-CZ 3.54Å; V28-F170 HydrophobicContact CG2-CD2 4.44Å; V28-F170 HydrophobicContact CG2-CE2 3.98Å; V28-F170 HydrophobicContact CG2-CZ 4.47Å; V28-F170 PolarHBondContact N-O 3.37Å; V28-F170 PolarHBondContact O-N 3.1Å; V28-A172 HydrophobicContact CG2-CB 4.41Å
29	R	98.3	Very high	91.3	Very high	20 Å²	20	46.8 Å²	46.8	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.7	170.8	173.4	82.9	-174.2	89.3	7.6	109.1	W31 R42 L43 L151 S168 L169	R29-W31 HydrophobicContact CG-CB 3.87Å; R29-W31 PolarHBondContact O-N 2.67Å; R29-R42 CarbonylContact O-C 3.6Å; R29-R42 WeakPolarHBondContact O-CA 3.31Å; R29-L43 HydrophobicContact CB-CB 4.24Å; R29-L43 HydrophobicContact CG-CD1 4.46Å; R29-L43 PolarHBondContact N-O 2.84Å; R29-L43 PolarHBondContact O-N 2.84Å; R29-L151 HydrophobicContact CB-CB 4.42Å; R29-L151 HydrophobicContact CB-CD2 4.43Å; R29-L151 WeakPolarHBondContact CD-O 3.37Å; R29-L151 VanDerWaalsContact CG-O 3.3Å; R29-L151 WeakPolarHBondContact CG-O 3.49Å; R29-S168 WeakPolarHBondContact CA-O 3.36Å; R29-S168 WeakPolarHBondContact CD-O 3.37Å; R29-S168 PolarHBondContact NH1-O 2.79Å; R29-L169 HydrophobicContact CB-CD1 4Å
30	V	97.5	Very high	91.1	Very high	42 Å²	42	50.6 Å²	50.6	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	88.4	169	-176.9	0	0	0	0	108.7	P40 L41 R42 D167 S168 F170	V30-P40 HydrophobicContact CG1-CB 3.71Å; V30-L41 CarbonylContact C-O 3.59Å; V30-R42 HydrophobicContact CG2-CG 4.43Å; V30-D167 VanDerWaalsContact CG2-O 3.26Å; V30-D167 WeakPolarHBondContact CG2-O 3.41Å; V30-S168 PolarHBondContact N-O 3.18Å; V30-F170 HydrophobicContact CG2-CE1 3.95Å
31	W	96.5	Very high	91	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.049	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141.8	-170.9	179.8	79.1	0	0	0	111.9	R29 P33 P40 L41 L43 W118 L122	R29-W31 HydrophobicContact CG-CB 3.87Å; R29-W31 PolarHBondContact O-N 2.67Å; W31-P33 HydrophobicContact CE3-CG 4.03Å; W31-P33 HydrophobicContact CH2-CB 3.72Å; W31-P33 HydrophobicContact CH2-CG 3.98Å; W31-P33 HydrophobicContact CZ2-CB 4.46Å; W31-P33 HydrophobicContact CZ3-CB 3.79Å; W31-P33 HydrophobicContact CZ3-CG 3.48Å; W31-P33 VanDerWaalsContact CZ3-CG 3.48Å; W31-P40 CarbonylContact O-C 3.27Å; W31-P40 WeakPolarHBondContact O-CA 3.29Å; W31-L41 HydrophobicContact CE3-CD1 3.66Å; W31-L41 HydrophobicContact CE3-CD2 4.43Å; W31-L41 HydrophobicContact CE3-CG 4.04Å; W31-L41 HydrophobicContact CZ3-CD1 4.17Å; W31-L41 HydrophobicContact CZ3-CD2 4.42Å; W31-L41 PolarHBondContact N-O 3.19Å; W31-L41 PolarHBondContact O-N 3.46Å; W31-L43 HydrophobicContact CB-CD1 3.92Å; W31-L43 HydrophobicContact CB-CG 4.09Å; W31-L43 HydrophobicContact CG-CD1 4.18Å; W31-W118 HydrophobicContact CH2-CD2 4.29Å; W31-W118 AromaticContact CH2-CE3 3.58Å; W31-W118 HydrophobicContact CH2-CE3 3.58Å; W31-W118 AromaticContact CH2-CZ3 3.72Å; W31-W118 HydrophobicContact CH2-CZ3 3.72Å; W31-W118 AromaticContact CZ3-CD2 3.78Å; W31-W118 HydrophobicContact CZ3-CD2 3.78Å; W31-W118 AromaticContact CZ3-CE3 3.56Å; W31-W118 HydrophobicContact CZ3-CE3 3.56Å; W31-W118 HydrophobicContact CZ3-CG 4.26Å; W31-W118 AromaticContact CZ3-CZ3 3.98Å; W31-W118 HydrophobicContact CZ3-CZ3 3.98Å; W31-L122 HydrophobicContact CH2-CD2 4.29Å; W31-L122 HydrophobicContact CZ2-CD2 3.61Å; W31-L122 HydrophobicContact CZ2-CG 4.37Å
32	Q	92.4	Very high	90.9	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	30%	0.297	S	S	.	.			trans	-108.1	123.2	174.4	179.2	63.9	35.3	0	0	108.6	E34 G36 E38 P40	Q32-E34 PolarHBondContact O-N 3.47Å; Q32-G36 PolarHBondContact NE2-O 3.12Å; Q32-E38 PolarHBondContact NE2-O 3.23Å; Q32-E38 PolarHBondContact OE1-O 3.37Å; Q32-P40 VanDerWaalsContact OE1-CA 3.28Å; Q32-P40 VanDerWaalsContact OE1-CG 3.22Å
33	P	87	Confident	91	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.052	30%	0.297	C	S	.	.			trans	-57.8	128.2	170.3	-18.4	26.8	0	0	0	112	W31 G35 G36 L41 W118	W31-P33 HydrophobicContact CE3-CG 4.03Å; W31-P33 HydrophobicContact CH2-CB 3.72Å; W31-P33 HydrophobicContact CH2-CG 3.98Å; W31-P33 HydrophobicContact CZ2-CB 4.46Å; W31-P33 HydrophobicContact CZ3-CB 3.79Å; W31-P33 HydrophobicContact CZ3-CG 3.48Å; W31-P33 VanDerWaalsContact CZ3-CG 3.48Å; P33-G35 PolarHBondContact O-N 2.9Å; P33-G36 PolarHBondContact O-N 2.85Å; P33-L41 HydrophobicContact CG-CD2 3.76Å; P33-W118 HydrophobicContact CB-CH2 4.41Å
34	E	82.6	Confident	91	Very high	156 Å²	156	50.3 Å²	50.3	73%	0.729	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	131.4	173.6	-69.3	-176.5	179.4	0	0	110	Q32 G36 R154	Q32-E34 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.08Å; E34-R154 IonicContact OE1-NH2 3.22Å
35	G	76.4	Confident	91.2	Very high	93 Å²	93	49.2 Å²	49.2	96%	0.959	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	2.1	177.2	0	0	0	0	0	115.8	P33	P33-G35 PolarHBondContact O-N 2.9Å
36	G	67.3	Low	91.2	Very high	28 Å²	28	49.8 Å²	49.8	29%	0.289	29%	0.286	S	S	.	.			trans	-95.2	140.1	174.9	0	0	0	0	0	112.8	Q32 P33 E34 E38	Q32-G36 PolarHBondContact NE2-O 3.12Å; P33-G36 PolarHBondContact O-N 2.85Å; E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.08Å; G36-E38 PolarHBondContact O-N 2.88Å
37	N	77.3	Confident	91.3	Very high	178 Å²	178	49.7 Å²	49.7	95%	0.952	29%	0.286	S	S	*	.			trans	-79.3	12.2	164.4	-70.9	-17.5	0	0	0	112.2
38	E	80.7	Confident	91.3	Very high	115 Å²	115	49.7 Å²	49.7	54%	0.537	29%	0.286	S	S	.	.	S	Bend	trans	-74.2	157.4	-178.7	-62.9	-177.2	178.8	0	0	110.6	Q32 G36	Q32-E38 PolarHBondContact NE2-O 3.23Å; Q32-E38 PolarHBondContact OE1-O 3.37Å; G36-E38 PolarHBondContact O-N 2.88Å
39	S	89.5	Confident	91.3	Very high	97 Å²	97	49.7 Å²	49.7	68%	0.678	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-72.9	155.5	172.1	-61.3	0	0	0	0	111	L41	S39-L41 PolarHBondContact O-N 3.33Å
40	P	93.9	Very high	91.3	Very high	80 Å²	80	48.7 Å²	48.7	52%	0.519	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-56.1	141.3	174.3	-21.7	29.3	0	0	0	111.3	V30 W31 Q32	V30-P40 HydrophobicContact CG1-CB 3.71Å; W31-P40 CarbonylContact O-C 3.27Å; W31-P40 WeakPolarHBondContact O-CA 3.29Å; Q32-P40 VanDerWaalsContact OE1-CA 3.28Å; Q32-P40 VanDerWaalsContact OE1-CG 3.22Å
41	L	94.6	Very high	91.4	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.2	-179.6	56	93	0	0	0	111.3	V30 W31 P33 S39 L43 N115 W118	V30-L41 CarbonylContact C-O 3.59Å; W31-L41 HydrophobicContact CE3-CD1 3.66Å; W31-L41 HydrophobicContact CE3-CD2 4.43Å; W31-L41 HydrophobicContact CE3-CG 4.04Å; W31-L41 HydrophobicContact CZ3-CD1 4.17Å; W31-L41 HydrophobicContact CZ3-CD2 4.42Å; W31-L41 PolarHBondContact N-O 3.19Å; W31-L41 PolarHBondContact O-N 3.46Å; P33-L41 HydrophobicContact CG-CD2 3.76Å; S39-L41 PolarHBondContact O-N 3.33Å; L41-L43 HydrophobicContact CD1-CD2 3.6Å; L41-L43 HydrophobicContact CD1-CG 4.38Å; L41-N115 HydrophobicContact CD1-CB 4.24Å; L41-W118 HydrophobicContact CD1-CG 4.23Å
42	R	96.4	Very high	91.5	Very high	74 Å²	74	46.1 Å²	46.1	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.6	-177.5	-59	-173.8	-50.7	174.2	12.1	110.6	M1 R29 V30 V44 E114 N115	M1-R42 PolarHBondContact O-NH1 2.87Å; M1-R42 PolarHBondContact O-NH2 3.41Å; R29-R42 CarbonylContact O-C 3.6Å; R29-R42 WeakPolarHBondContact O-CA 3.31Å; V30-R42 HydrophobicContact CG2-CG 4.43Å; R42-V44 HydrophobicContact CB-CG2 4.11Å; R42-E114 IonicContact CZ-OE2 2.75Å; R42-E114 IonicContact NE-OE2 2.72Å; R42-E114 PolarHBondContact NE-OE2 2.99Å; R42-E114 VanDerWaalsContact NH2-CD 3.26Å; R42-E114 IonicContact NH2-OE1 3.59Å; R42-E114 PolarHBondContact NH2-OE1 3.01Å; R42-E114 IonicContact NH2-OE2 2.91Å; R42-E114 PolarHBondContact NH2-OE2 2.78Å; R42-N115 PolarHBondContact O-ND2 3.44Å
43	L	98	Very high	91.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.7	164.6	-47.9	178.2	0	0	0	107	R29 W31 L41 N115 W118 M119 L122 L151	R29-L43 HydrophobicContact CB-CB 4.24Å; R29-L43 HydrophobicContact CG-CD1 4.46Å; R29-L43 PolarHBondContact N-O 2.84Å; R29-L43 PolarHBondContact O-N 2.84Å; W31-L43 HydrophobicContact CB-CD1 3.92Å; W31-L43 HydrophobicContact CB-CG 4.09Å; W31-L43 HydrophobicContact CG-CD1 4.18Å; L41-L43 HydrophobicContact CD1-CD2 3.6Å; L41-L43 HydrophobicContact CD1-CG 4.38Å; L43-N115 HydrophobicContact CD2-CB 3.69Å; L43-W118 HydrophobicContact CD2-CB 3.84Å; L43-M119 HydrophobicContact CB-CE 3.95Å; L43-L122 HydrophobicContact CD1-CD1 3.61Å; L43-L151 HydrophobicContact CB-CD2 3.55Å; L43-L151 HydrophobicContact CD1-CD2 4.34Å
44	V	98.1	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129	-175.5	-176.1	0	0	0	0	109.8	L26 V28 R42 L113 E114 M119	L26-V44 HydrophobicContact CB-CG1 4.28Å; L26-V44 HydrophobicContact CD1-CG1 4.32Å; L26-V44 HydrophobicContact CD2-CG1 4.11Å; L26-V44 HydrophobicContact CG-CG1 4.49Å; V28-V44 HydrophobicContact CG1-CG2 4.21Å; V28-V44 HydrophobicContact CG2-CG1 4.28Å; V28-V44 HydrophobicContact CG2-CG2 4.27Å; R42-V44 HydrophobicContact CB-CG2 4.11Å; V44-L113 HydrophobicContact CB-CB 4.47Å; V44-L113 HydrophobicContact CG1-CB 4.39Å; V44-L113 HydrophobicContact CG1-CD1 4.29Å; V44-L113 WeakPolarHBondContact O-CA 3.45Å; V44-L113 WeakPolarHBondContact O-CB 3.2Å; V44-L113 PolarHBondContact O-N 2.71Å; V44-E114 HydrophobicContact CB-CB 3.85Å; V44-E114 HydrophobicContact CB-CG 3.96Å; V44-E114 HydrophobicContact CG2-CB 3.88Å; V44-E114 HydrophobicContact CG2-CG 3.94Å; V44-E114 PolarHBondContact O-N 3.17Å; V44-M119 WeakPolarHBondContact O-CE 3.27Å
45	V	98.3	Very high	93	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.6	170.7	-56.2	0	0	0	0	110.2	L26 F27 A110 E111 M119 L147 L151	L26-V45 CarbonylContact C-O 3.46Å; L26-V45 VanDerWaalsContact CA-O 3.32Å; L26-V45 WeakPolarHBondContact CA-O 3.09Å; F27-V45 HydrophobicContact CB-CG2 3.86Å; F27-V45 PolarHBondContact N-O 3.03Å; F27-V45 PolarHBondContact O-N 3.01Å; F27-V45 VanDerWaalsContact O-N 3.08Å; V45-A110 HydrophobicContact CB-CB 3.57Å; V45-A110 HydrophobicContact CG1-CB 4.34Å; V45-A110 HydrophobicContact CG2-CB 3.51Å; V45-E111 CarbonylContact C-O 3.6Å; V45-E111 WeakPolarHBondContact CA-O 3.44Å; V45-E111 WeakPolarHBondContact CB-O 3.42Å; V45-M119 HydrophobicContact CG1-CE 3.6Å; V45-M119 HydrophobicContact CG1-SD 3.9Å; V45-L147 HydrophobicContact CG1-CD1 4.44Å; V45-L147 HydrophobicContact CG2-CD1 3.93Å; V45-L151 HydrophobicContact CG1-CD1 4.37Å; V45-L151 HydrophobicContact CG1-CD2 4Å; V45-L151 HydrophobicContact CG1-CG 4.46Å; V45-L151 HydrophobicContact CG2-CD1 3.99Å
46	R	97.6	Very high	94.1	Very high	43 Å²	43	36.4 Å²	36.4	16%	0.162	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.3	169.1	178.2	-176.6	-62.1	140.9	-5	109.9	G24 K25 L26 A110 E111 L113 E174	G24-R46 WeakPolarHBondContact O-CG 3.37Å; K25-R46 WeakPolarHBondContact O-CA 3.45Å; L26-R46 HydrophobicContact CD2-CB 4Å; R46-A110 CarbonylContact O-C 3.53Å; R46-A110 WeakPolarHBondContact O-CA 3.15Å; R46-A110 VanDerWaalsContact O-CB 3.27Å; R46-A110 WeakPolarHBondContact O-CB 3.41Å; R46-E111 HydrophobicContact CB-CB 4.29Å; R46-E111 IonicContact CZ-OE2 3.44Å; R46-E111 PolarHBondContact N-O 3.04Å; R46-E111 IonicContact NH1-OE1 3.33Å; R46-E111 IonicContact NH1-OE2 2.77Å; R46-E111 PolarHBondContact NH1-OE2 2.83Å; R46-E111 PolarHBondContact O-N 2.8Å; R46-L113 HydrophobicContact CB-CD1 3.82Å; R46-L113 HydrophobicContact CB-CG 4.46Å; R46-E174 IonicContact NH2-OE2 3.79Å
47	L	98.3	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.4	179.9	-67.8	-176.5	0	0	0	111.6	L22 G24 K25 F27 L107 A110 L147 F171	L22-L47 HydrophobicContact CB-CD1 3.92Å; L22-L47 HydrophobicContact CD2-CD1 4.11Å; L22-L47 HydrophobicContact CG-CD1 4.46Å; L22-L47 WeakPolarHBondContact O-CB 3.48Å; G24-L47 PolarHBondContact N-O 2.9Å; K25-L47 PolarHBondContact O-N 2.73Å; F27-L47 HydrophobicContact CB-CD2 4.47Å; L47-L107 HydrophobicContact CD1-CD2 3.8Å; L47-L107 HydrophobicContact CD2-CB 4.39Å; L47-L107 HydrophobicContact CD2-CD1 4.35Å; L47-L107 HydrophobicContact CD2-CD2 4.43Å; L47-A110 HydrophobicContact CD2-CB 4.19Å; L47-L147 HydrophobicContact CD2-CD2 4.49Å; L47-F171 HydrophobicContact CD1-CD1 4.42Å; L47-F171 HydrophobicContact CD1-CE1 3.79Å
48	V	97.7	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-6.8	179.4	-53.2	0	0	0	0	113	A109 E111 Y209 L210 N213 F215 V216	V48-A109 HydrophobicContact CG2-CB 3.95Å; V48-A109 PolarHBondContact N-O 3.24Å; V48-E111 HydrophobicContact CG1-CB 4.24Å; V48-Y209 CarbonylContact O-C 3.55Å; V48-Y209 WeakPolarHBondContact O-CA 3.44Å; V48-Y209 VanDerWaalsContact O-CB 3.28Å; V48-Y209 WeakPolarHBondContact O-CB 3.37Å; V48-L210 HydrophobicContact CB-CD1 4.25Å; V48-L210 HydrophobicContact CB-CG 4.46Å; V48-L210 HydrophobicContact CG1-CD1 4.1Å; V48-L210 PolarHBondContact O-N 3.3Å; V48-N213 WeakPolarHBondContact CG1-ND2 2.97Å; V48-F215 HydrophobicContact CG2-CB 3.89Å; V48-V216 HydrophobicContact CB-CG2 4.48Å; V48-V216 HydrophobicContact CG2-CG2 4.09Å
49	E	98.6	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	131.2	179.6	-173.5	-170.7	164.4	0	0	112	R108 A109 R207 F208 S217	E49-R108 HydrophobicContact CB-CB 4.05Å; E49-R108 HydrophobicContact CG-CB 3.67Å; E49-R108 HydrophobicContact CG-CG 4.45Å; E49-R108 PolarHBondContact O-N 3.1Å; E49-R108 VanDerWaalsContact OE1-CD 3.31Å; E49-R108 WeakPolarHBondContact OE1-CD 3.43Å; E49-R108 IonicContact OE1-NE 3.38Å; E49-R108 PolarHBondContact OE1-NE 3.18Å; E49-A109 HydrophobicContact CB-CB 3.7Å; E49-A109 PolarHBondContact N-O 3.48Å; E49-A109 PolarHBondContact O-N 3.41Å; E49-A109 WeakPolarHBondContact OE2-CB 3.48Å; E49-R207 IonicContact OE1-CZ 2.8Å; E49-R207 IonicContact OE1-NE 2.67Å; E49-R207 PolarHBondContact OE1-NE 3.06Å; E49-R207 IonicContact OE1-NH2 3.99Å; E49-R207 PolarHBondContact OE1-NH2 3.04Å; E49-R207 IonicContact OE2-NH2 2.84Å; E49-F208 CarbonylContact C-O 3.57Å; E49-F208 VanDerWaalsContact CA-O 3.31Å; E49-F208 WeakPolarHBondContact CA-O 3.42Å; E49-S217 PolarHBondContact OE1-OG 2.97Å; E49-S217 WeakPolarHBondContact OE2-CB 3.38Å; E49-S217 PolarHBondContact OE2-N 2.81Å; E49-S217 PolarHBondContact OE2-OG 3.23Å
50	T	98.8	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	160.9	179.7	57.4	0	0	0	0	111.6	A19 L22 L23 V105 L106 L107 R207 F208	A19-T50 PolarHBondContact O-OG1 2.93Å; L22-T50 HydrophobicContact CB-CG2 4.15Å; L23-T50 HydrophobicContact CD2-CG2 4.15Å; T50-V105 HydrophobicContact CG2-CG1 4.1Å; T50-L106 VanDerWaalsContact CA-O 3.3Å; T50-L106 WeakPolarHBondContact CA-O 3.4Å; T50-L107 HydrophobicContact CG2-CD2 4.45Å; T50-R207 WeakPolarHBondContact O-CA 3.27Å; T50-F208 PolarHBondContact N-O 2.93Å; T50-F208 PolarHBondContact O-N 3.39Å
51	E	98.7	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.1	168.6	-71.7	176.2	166.7	0	0	110.6	Y53 V105 L106 R108 R192 I193 L206 R207	E51-Y53 HydrophobicContact CB-CE2 4Å; E51-Y53 PolarHBondContact OE2-OH 3.08Å; E51-V105 CarbonylContact O-C 3.45Å; E51-V105 VanDerWaalsContact O-CA 3.31Å; E51-V105 WeakPolarHBondContact O-CA 3.41Å; E51-L106 HydrophobicContact CB-CB 4.22Å; E51-L106 PolarHBondContact N-O 3.24Å; E51-L106 PolarHBondContact O-N 3.07Å; E51-L106 WeakPolarHBondContact OE2-CD2 3.39Å; E51-R108 HydrophobicContact CG-CG 4.29Å; E51-R108 WeakPolarHBondContact OE1-CD 3.37Å; E51-R108 IonicContact OE1-CZ 2.7Å; E51-R108 IonicContact OE1-NE 3.87Å; E51-R108 IonicContact OE1-NH1 2.75Å; E51-R108 PolarHBondContact OE1-NH1 3.43Å; E51-R108 WeakPolarHBondContact OE2-CD 3.26Å; E51-R108 IonicContact OE2-CZ 3.07Å; E51-R108 IonicContact OE2-NE 3.9Å; E51-R108 IonicContact OE2-NH1 3.55Å; E51-R108 PolarHBondContact OE2-NH1 3.37Å; E51-R192 HydrophobicContact CB-CG 4.03Å; E51-R192 HydrophobicContact CG-CB 4.17Å; E51-R192 HydrophobicContact CG-CG 3.74Å; E51-R192 WeakPolarHBondContact OE1-CA 3.37Å; E51-R192 WeakPolarHBondContact OE1-CB 3.19Å; E51-I193 PolarHBondContact OE1-N 3.17Å; E51-L206 CarbonylContact C-O 3.49Å; E51-L206 VanDerWaalsContact CA-O 3.3Å; E51-L206 WeakPolarHBondContact CA-O 3.39Å; E51-R207 HydrophobicContact CG-CB 3.75Å; E51-R207 HydrophobicContact CG-CG 3.69Å; E51-R207 WeakPolarHBondContact OE1-CD 3.43Å
52	A	98.8	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.6	172.6	0	0	0	0	0	110.7	V16 A19 L54 R192 L206 F208	V16-A52 HydrophobicContact CG2-CB 4.19Å; A19-A52 HydrophobicContact CB-CB 4.08Å; A52-L54 HydrophobicContact CB-CD2 4.11Å; A52-R192 WeakPolarHBondContact O-CD 3.2Å; A52-R192 PolarHBondContact O-NH1 2.77Å; A52-L206 HydrophobicContact CB-CD2 4.37Å; A52-L206 PolarHBondContact N-O 3.46Å; A52-F208 HydrophobicContact CB-CE2 3.89Å
53	Y	98.7	Very high	98.2	Very high	19 Å²	19	19.4 Å²	19.4	8%	0.075	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.3	169.3	-70	-93.8	0	0	0	108.3	C15 E51 G55 D58 A60 A103 A104 L106 R192	C15-Y53 PolarHBondContact SG-O 2.91Å; E51-Y53 HydrophobicContact CB-CE2 4Å; E51-Y53 PolarHBondContact OE2-OH 3.08Å; Y53-G55 PolarHBondContact O-N 3.38Å; Y53-G55 VanDerWaalsContact O-N 3.16Å; Y53-D58 WeakPolarHBondContact CA-OD2 3.28Å; Y53-A60 HydrophobicContact CD1-CB 4.39Å; Y53-A60 HydrophobicContact CE1-CB 4.08Å; Y53-A60 WeakPolarHBondContact CE1-O 3.43Å; Y53-A103 WeakPolarHBondContact O-CA 3.46Å; Y53-A104 WeakPolarHBondContact CB-O 3.44Å; Y53-A104 PolarHBondContact N-O 3.2Å; Y53-A104 PolarHBondContact O-N 2.85Å; Y53-L106 HydrophobicContact CD2-CB 4.27Å; Y53-L106 HydrophobicContact CE2-CB 3.76Å; Y53-L106 HydrophobicContact CE2-CD2 4.16Å; Y53-R192 VanDerWaalsContact CD1-NH1 3.25Å
54	L	98.4	Very high	98.2	Very high	41 Å²	41	23 Å²	23	22%	0.215	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	19.7	-163.6	-51.2	-174.2	0	0	0	114.5	C15 V16 A52 E57 D58 W201 L206	C15-L54 HydrophobicContact CB-CD2 4.16Å; V16-L54 HydrophobicContact CG2-CD2 3.85Å; A52-L54 HydrophobicContact CB-CD2 4.11Å; L54-E57 HydrophobicContact CB-CG 4.43Å; L54-D58 HydrophobicContact CB-CB 4.12Å; L54-D58 PolarHBondContact N-OD2 2.83Å; L54-W201 HydrophobicContact CB-CZ3 4.42Å; L54-W201 HydrophobicContact CD1-CH2 4.31Å; L54-W201 HydrophobicContact CD1-CZ3 3.97Å; L54-W201 HydrophobicContact CG-CZ3 4.32Å; L54-L206 HydrophobicContact CD1-CD1 4.01Å; L54-L206 HydrophobicContact CD1-CD2 4.06Å; L54-L206 HydrophobicContact CD2-CD2 4.17Å; L54-L206 HydrophobicContact CG-CD1 4.04Å; L54-L206 HydrophobicContact CG-CD2 4.28Å
55	G	98	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-128.5	175.4	0	0	0	0	0	114.1	Y53 E57 D58 S63 E101 G102	Y53-G55 PolarHBondContact O-N 3.38Å; Y53-G55 VanDerWaalsContact O-N 3.16Å; G55-E57 PolarHBondContact O-N 3.47Å; G55-D58 PolarHBondContact O-N 2.94Å; G55-S63 WeakPolarHBondContact CA-OG 3.48Å; G55-S63 PolarHBondContact O-OG 2.91Å; G55-E101 VanDerWaalsContact CA-O 3.3Å; G55-E101 WeakPolarHBondContact CA-O 3.45Å; G55-G102 WeakPolarHBondContact CA-O 3.5Å
56	L	98.1	Very high	98.1	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.335	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.8	-167.1	-90.6	53	0	0	0	114.2	Y64 K65 F76 E101	L56-Y64 WeakPolarHBondContact O-CD2 3.19Å; L56-K65 PolarHBondContact O-N 3.38Å; L56-F76 HydrophobicContact CD1-CE1 4.3Å; L56-E101 HydrophobicContact CD1-CB 3.7Å; L56-E101 VanDerWaalsContact CD1-O 3.22Å; L56-E101 WeakPolarHBondContact CD1-O 3.24Å
57	E	97.5	Very high	98.1	Very high	119 Å²	119	38.7 Å²	38.7	56%	0.556	18%	0.179	S	C	*	.	S	Bend	trans	-82.5	-21.9	-177.5	52.3	168	-158.8	0	0	113.3	L54 G55 K59 W201	L54-E57 HydrophobicContact CB-CG 4.43Å; G55-E57 PolarHBondContact O-N 3.47Å; E57-K59 PolarHBondContact O-N 3.3Å; E57-W201 VanDerWaalsContact C-CZ2 3.44Å; E57-W201 HydrophobicContact CB-CH2 4.08Å; E57-W201 HydrophobicContact CB-CZ2 3.99Å; E57-W201 HydrophobicContact CG-CH2 3.68Å; E57-W201 HydrophobicContact CG-CZ2 4.13Å; E57-W201 WeakPolarHBondContact O-CZ2 3.31Å
58	D	98.2	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.206	C	C	.	.			trans	-81	105.7	-168.9	-172.7	-14.2	0	0	0	112.6	Y53 L54 G55 A60 S61 Y64 R192 W201	Y53-D58 WeakPolarHBondContact CA-OD2 3.28Å; L54-D58 HydrophobicContact CB-CB 4.12Å; L54-D58 PolarHBondContact N-OD2 2.83Å; G55-D58 PolarHBondContact O-N 2.94Å; D58-A60 PolarHBondContact O-N 3.31Å; D58-A60 WeakPolarHBondContact OD1-CB 3.5Å; D58-A60 PolarHBondContact OD1-N 3.27Å; D58-S61 WeakPolarHBondContact O-CB 3.15Å; D58-S61 PolarHBondContact O-N 2.74Å; D58-Y64 WeakPolarHBondContact O-CB 3.48Å; D58-R192 IonicContact OD1-CZ 3.59Å; D58-R192 IonicContact OD1-NH1 3.42Å; D58-R192 PolarHBondContact OD1-NH1 2.9Å; D58-R192 IonicContact OD1-NH2 3.46Å; D58-R192 PolarHBondContact OD1-NH2 3.07Å; D58-R192 IonicContact OD2-CZ 2.67Å; D58-R192 IonicContact OD2-NH1 2.83Å; D58-R192 PolarHBondContact OD2-NH1 3.48Å; D58-R192 IonicContact OD2-NH2 3.58Å; D58-R192 PolarHBondContact OD2-NH2 2.81Å; D58-W201 VanDerWaalsContact CA-CZ3 3.47Å; D58-W201 HydrophobicContact CB-CD2 4.42Å; D58-W201 HydrophobicContact CB-CE3 3.74Å; D58-W201 HydrophobicContact CB-CH2 4.01Å; D58-W201 HydrophobicContact CB-CZ3 3.51Å
59	K	98.3	Very high	98.1	Very high	49 Å²	49	48.1 Å²	48.1	21%	0.213	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21	178.2	-71.5	-172.5	-178.9	173	0	114.3	E57 Y64 A198 E200 W201	E57-K59 PolarHBondContact O-N 3.3Å; K59-Y64 HydrophobicContact CB-CE2 4.42Å; K59-Y64 HydrophobicContact CG-CD2 4.22Å; K59-Y64 HydrophobicContact CG-CE1 4.01Å; K59-Y64 HydrophobicContact CG-CE2 3.63Å; K59-A198 HydrophobicContact CB-CB 4.15Å; K59-E200 WeakPolarHBondContact CD-OE1 3.36Å; K59-E200 WeakPolarHBondContact CE-OE1 3.25Å; K59-E200 IonicContact NZ-OE1 2.7Å; K59-E200 PolarHBondContact NZ-OE1 2.91Å; K59-E200 IonicContact NZ-OE2 2.76Å; K59-E200 PolarHBondContact NZ-OE2 3.12Å; K59-W201 HydrophobicContact CB-CB 4.09Å; K59-W201 HydrophobicContact CB-CG 3.79Å; K59-W201 VanDerWaalsContact CG-CD1 3.46Å; K59-W201 HydrophobicContact CG-CG 4.21Å
60	A	98.1	Very high	98	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14	176.3	0	0	0	0	0	113	Y53 D58 R192 I195 Y197 A198	Y53-A60 HydrophobicContact CD1-CB 4.39Å; Y53-A60 HydrophobicContact CE1-CB 4.08Å; Y53-A60 WeakPolarHBondContact CE1-O 3.43Å; D58-A60 PolarHBondContact O-N 3.31Å; D58-A60 WeakPolarHBondContact OD1-CB 3.5Å; D58-A60 PolarHBondContact OD1-N 3.27Å; A60-R192 VanDerWaalsContact CB-NH2 3.34Å; A60-I195 HydrophobicContact CB-CB 3.99Å; A60-I195 HydrophobicContact CB-CD1 3.81Å; A60-I195 HydrophobicContact CB-CG2 3.95Å; A60-Y197 PolarHBondContact O-OH 3.42Å; A60-A198 HydrophobicContact CB-CB 3.6Å
61	S	98	Very high	97.9	Very high	7 Å²	7	59.7 Å²	59.7	5%	0.049	28%	0.278	C	S	.	.	S	Bend	trans	-79.4	147	-179.6	-171.8	0	0	0	0	111.7	D58 S63 Y64 M75	D58-S61 WeakPolarHBondContact O-CB 3.15Å; D58-S61 PolarHBondContact O-N 2.74Å; S61-S63 PolarHBondContact O-N 3.31Å; S61-S63 PolarHBondContact OG-N 3.46Å; S61-S63 PolarHBondContact OG-OG 3.05Å; S61-Y64 WeakPolarHBondContact O-CB 3.26Å; S61-Y64 PolarHBondContact O-N 2.91Å; S61-M75 WeakPolarHBondContact OG-CE 3.46Å
62	H	97.9	Very high	97.8	Very high	64 Å²	64	59.8 Å²	59.8	30%	0.296	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.9	171.1	-66.1	170.2	0	0	0	113.1	N72 M75 Y83 Y85	H62-N72 HydrophobicContact CB-CB 4.15Å; H62-N72 PolarHBondContact O-ND2 3.38Å; H62-M75 HydrophobicContact CB-SD 4.16Å; H62-Y83 PolarHBondContact CE1-OH 2.98Å; H62-Y83 VanDerWaalsContact CE1-OH 3.31Å; H62-Y83 AromaticContact ND1-CE1 3.57Å; H62-Y83 AromaticContact ND1-CZ 3.6Å; H62-Y83 PolarHBondContact ND1-OH 3.2Å; H62-Y85 AromaticContact CE1-CE1 3.88Å; H62-Y85 AromaticContact CE1-CE2 3.83Å; H62-Y85 AromaticContact CE1-CZ 3.71Å
63	S	98.1	Very high	97.8	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.4	177.2	59.3	0	0	0	0	113.9	G55 S61 K65 G66 R67 G102	G55-S63 WeakPolarHBondContact CA-OG 3.48Å; G55-S63 PolarHBondContact O-OG 2.91Å; S61-S63 PolarHBondContact O-N 3.31Å; S61-S63 PolarHBondContact OG-N 3.46Å; S61-S63 PolarHBondContact OG-OG 3.05Å; S63-K65 PolarHBondContact O-N 2.85Å; S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 2.79Å; S63-R67 PolarHBondContact O-N 3.36Å; S63-G102 PolarHBondContact OG-O 2.84Å; S63-G102 VanDerWaalsContact OG-O 3.09Å
64	Y	97.9	Very high	97.8	Very high	76 Å²	76	61.1 Å²	61.1	30%	0.298	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-50.2	134.6	-178.4	179.4	-127.5	0	0	0	111.7	L56 D58 K59 S61 G66 R67	L56-Y64 WeakPolarHBondContact O-CD2 3.19Å; D58-Y64 WeakPolarHBondContact O-CB 3.48Å; K59-Y64 HydrophobicContact CB-CE2 4.42Å; K59-Y64 HydrophobicContact CG-CD2 4.22Å; K59-Y64 HydrophobicContact CG-CE1 4.01Å; K59-Y64 HydrophobicContact CG-CE2 3.63Å; S61-Y64 WeakPolarHBondContact O-CB 3.26Å; S61-Y64 PolarHBondContact O-N 2.91Å; Y64-G66 PolarHBondContact O-N 3.32Å; Y64-R67 WeakPolarHBondContact O-CB 3.5Å; Y64-R67 PolarHBondContact O-N 3.37Å
65	K	97.6	Very high	97.8	Very high	167 Å²	167	59.4 Å²	59.4	73%	0.726	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	57	31	-173.3	-61.4	-175.5	171.2	-171.9	0	114.4	L56 S63 R67	L56-K65 PolarHBondContact O-N 3.38Å; S63-K65 PolarHBondContact O-N 2.85Å; K65-R67 PolarHBondContact O-N 2.79Å
66	G	96.8	Very high	97.8	Very high	33 Å²	33	61.4 Å²	61.4	34%	0.34	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	72	19.2	178.2	0	0	0	0	0	113	S63 Y64 R68	S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 2.79Å; Y64-G66 PolarHBondContact O-N 3.32Å; G66-R68 PolarHBondContact O-N 2.92Å
67	R	97.4	Very high	97.8	Very high	172 Å²	172	61.6 Å²	61.6	65%	0.649	29%	0.285	S	S	*	.			trans	-62.8	106.6	179.2	-176.9	179.2	-176.8	166.6	3.1	109.8	S63 Y64 K65 T69 N72	S63-R67 PolarHBondContact O-N 3.36Å; Y64-R67 WeakPolarHBondContact O-CB 3.5Å; Y64-R67 PolarHBondContact O-N 3.37Å; K65-R67 PolarHBondContact O-N 2.79Å; R67-T69 HydrophobicContact CG-CG2 4.13Å; R67-N72 PolarHBondContact O-ND2 3.41Å
68	R	97.9	Very high	97.8	Very high	149 Å²	149	61 Å²	61	56%	0.562	29%	0.285	S	S	*	.			trans	-111.2	127.5	174.5	-172.5	171.8	177.1	179.2	2.9	110.1	G66 E73 F76	G66-R68 PolarHBondContact O-N 2.92Å; R68-E73 WeakPolarHBondContact CG-OE2 3.31Å; R68-E73 IonicContact CZ-OE1 3.37Å; R68-E73 IonicContact CZ-OE2 3.7Å; R68-E73 IonicContact NE-OE1 3.3Å; R68-E73 PolarHBondContact NE-OE1 2.95Å; R68-E73 IonicContact NE-OE2 2.82Å; R68-E73 PolarHBondContact NE-OE2 3.32Å; R68-E73 IonicContact NH2-OE1 2.65Å; R68-E73 PolarHBondContact NH2-OE1 3.42Å; R68-E73 IonicContact NH2-OE2 3.75Å; R68-F76 HydrophobicContact CB-CD2 4.24Å; R68-F76 HydrophobicContact CB-CE1 4.43Å; R68-F76 HydrophobicContact CB-CE2 3.83Å; R68-F76 HydrophobicContact CB-CZ 3.93Å; R68-F76 HydrophobicContact CG-CD2 3.76Å; R68-F76 HydrophobicContact CG-CE2 3.87Å; R68-F76 HydrophobicContact CG-CG 4.16Å; R68-F76 HydrophobicContact CG-CZ 4.34Å
69	T	97.8	Very high	97.8	Very high	50 Å²	50	62.3 Å²	62.3	31%	0.307	29%	0.294	S	S	.	.			trans	-139.7	162	-177.4	67	0	0	0	0	109.1	R67 R71 N72 E73	R67-T69 HydrophobicContact CG-CG2 4.13Å; T69-R71 PolarHBondContact O-N 2.87Å; T69-R71 PolarHBondContact OG1-N 3.23Å; T69-N72 WeakPolarHBondContact CA-OD1 3.49Å; T69-N72 PolarHBondContact N-OD1 3.32Å; T69-N72 PolarHBondContact O-N 2.93Å; T69-N72 PolarHBondContact O-OD1 3.06Å; T69-N72 VanDerWaalsContact O-OD1 3.06Å; T69-N72 PolarHBondContact OG1-N 3.29Å; T69-N72 PolarHBondContact OG1-OD1 2.98Å; T69-E73 PolarHBondContact O-N 2.68Å
70	V	96.7	Very high	97.8	Very high	125 Å²	125	60 Å²	60	76%	0.758	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-34.1	174.8	178.6	0	0	0	0	112.5	K160	V70-K160 PolarHBondContact O-NZ 3.34Å; V70-K160 VanDerWaalsContact O-NZ 3.16Å
71	R	96.4	Very high	97.9	Very high	118 Å²	118	60 Å²	60	45%	0.445	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-50.9	-178.8	176.7	-178.7	173.5	164.9	2.8	112.9	T69 Y83 N86	T69-R71 PolarHBondContact O-N 2.87Å; T69-R71 PolarHBondContact OG1-N 3.23Å; R71-Y83 HydrophobicContact CG-CE2 4.4Å; R71-Y83 PolarHBondContact NE-OH 2.82Å; R71-Y83 WeakPolarHBondContact O-CE2 3.29Å; R71-N86 PolarHBondContact NH2-O 3Å
72	N	97.9	Very high	97.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	11.7	-174.3	69.8	-21.9	0	0	0	113.1	H62 R67 T69 A74 M75 Y83	H62-N72 HydrophobicContact CB-CB 4.15Å; H62-N72 PolarHBondContact O-ND2 3.38Å; R67-N72 PolarHBondContact O-ND2 3.41Å; T69-N72 WeakPolarHBondContact CA-OD1 3.49Å; T69-N72 PolarHBondContact N-OD1 3.32Å; T69-N72 PolarHBondContact O-N 2.93Å; T69-N72 PolarHBondContact O-OD1 3.06Å; T69-N72 VanDerWaalsContact O-OD1 3.06Å; T69-N72 PolarHBondContact OG1-N 3.29Å; T69-N72 PolarHBondContact OG1-OD1 2.98Å; N72-A74 PolarHBondContact O-N 3.01Å; N72-A74 VanDerWaalsContact O-N 3.13Å; N72-M75 HydrophobicContact CB-CG 4.48Å; N72-M75 HydrophobicContact CB-SD 4.02Å; N72-M75 WeakPolarHBondContact O-CB 3.25Å; N72-M75 PolarHBondContact O-N 3.14Å; N72-Y83 HydrophobicContact CB-CE2 4.44Å
73	E	98.3	Very high	97.9	Very high	46 Å²	46	56.7 Å²	56.7	22%	0.215	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-49.4	-38.3	179.1	-175.8	60.8	-165	0	0	113	R68 T69 M75 F76 M77	R68-E73 WeakPolarHBondContact CG-OE2 3.31Å; R68-E73 IonicContact CZ-OE1 3.37Å; R68-E73 IonicContact CZ-OE2 3.7Å; R68-E73 IonicContact NE-OE1 3.3Å; R68-E73 PolarHBondContact NE-OE1 2.95Å; R68-E73 IonicContact NE-OE2 2.82Å; R68-E73 PolarHBondContact NE-OE2 3.32Å; R68-E73 IonicContact NH2-OE1 2.65Å; R68-E73 PolarHBondContact NH2-OE1 3.42Å; R68-E73 IonicContact NH2-OE2 3.75Å; T69-E73 PolarHBondContact O-N 2.68Å; E73-M75 PolarHBondContact O-N 2.85Å; E73-M75 VanDerWaalsContact O-N 3.15Å; E73-F76 PolarHBondContact O-N 3.22Å; E73-M77 PolarHBondContact O-N 2.92Å
74	A	98.2	Very high	98	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57	-27.8	177	0	0	0	0	0	114.1	N72 F76 M77 T81 A82 Y83 S97 K160	N72-A74 PolarHBondContact O-N 3.01Å; N72-A74 VanDerWaalsContact O-N 3.13Å; A74-F76 PolarHBondContact O-N 3.4Å; A74-M77 PolarHBondContact O-N 3.07Å; A74-T81 HydrophobicContact CB-CG2 4.15Å; A74-A82 WeakPolarHBondContact CB-O 3.31Å; A74-Y83 HydrophobicContact CB-CD2 4.1Å; A74-Y83 HydrophobicContact CB-CG 4.2Å; A74-S97 WeakPolarHBondContact O-CB 3.17Å; A74-K160 HydrophobicContact CB-CG 3.97Å
75	M	98.3	Very high	98	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.025	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-73.5	-13.1	176.5	-56.8	178.1	70.6	0	0	112.8	S61 H62 N72 E73 Y83 G102 A104	S61-M75 WeakPolarHBondContact OG-CE 3.46Å; H62-M75 HydrophobicContact CB-SD 4.16Å; N72-M75 HydrophobicContact CB-CG 4.48Å; N72-M75 HydrophobicContact CB-SD 4.02Å; N72-M75 WeakPolarHBondContact O-CB 3.25Å; N72-M75 PolarHBondContact O-N 3.14Å; E73-M75 PolarHBondContact O-N 2.85Å; E73-M75 VanDerWaalsContact O-N 3.15Å; M75-Y83 HydrophobicContact CG-CD1 3.39Å; M75-Y83 HydrophobicContact CG-CE1 4.02Å; M75-Y83 HydrophobicContact CG-CG 3.8Å; M75-Y83 HydrophobicContact SD-CD1 3.5Å; M75-Y83 VanDerWaalsContact SD-CD1 3.5Å; M75-Y83 HydrophobicContact SD-CE1 3.53Å; M75-Y83 VanDerWaalsContact SD-CE1 3.53Å; M75-Y83 HydrophobicContact SD-CG 4.42Å; M75-G102 WeakPolarHBondContact CE-O 3.25Å; M75-G102 CarbonylContact O-C 3.56Å; M75-G102 WeakPolarHBondContact O-CA 3.33Å; M75-G102 PolarHBondContact O-N 2.88Å; M75-G102 VanDerWaalsContact O-N 3.12Å; M75-A104 HydrophobicContact CE-CB 3.82Å; M75-A104 HydrophobicContact CG-CB 4.29Å
76	F	98.4	Very high	97.9	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.184	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-107.7	2.5	176.8	-60.5	-91.6	0	0	0	112.2	L56 R68 E73 A74 E101	L56-F76 HydrophobicContact CD1-CE1 4.3Å; R68-F76 HydrophobicContact CB-CD2 4.24Å; R68-F76 HydrophobicContact CB-CE1 4.43Å; R68-F76 HydrophobicContact CB-CE2 3.83Å; R68-F76 HydrophobicContact CB-CZ 3.93Å; R68-F76 HydrophobicContact CG-CD2 3.76Å; R68-F76 HydrophobicContact CG-CE2 3.87Å; R68-F76 HydrophobicContact CG-CG 4.16Å; R68-F76 HydrophobicContact CG-CZ 4.34Å; E73-F76 PolarHBondContact O-N 3.22Å; A74-F76 PolarHBondContact O-N 3.4Å; F76-E101 HydrophobicContact CD1-CB 4.43Å; F76-E101 HydrophobicContact CE1-CB 4.47Å
77	M	98.2	Very high	97.7	Very high	69 Å²	69	49.8 Å²	49.8	34%	0.34	23%	0.234	S	C	.	.	S	Bend	trans	-89.4	170.7	174.1	-67.1	176.7	65.8	0	0	110.7	E73 A74 T81 S97 K160	E73-M77 PolarHBondContact O-N 2.92Å; A74-M77 PolarHBondContact O-N 3.07Å; M77-T81 HydrophobicContact CB-CG2 3.93Å; M77-T81 HydrophobicContact CE-CG2 4.08Å; M77-T81 HydrophobicContact SD-CG2 4.02Å; M77-S97 PolarHBondContact O-OG 2.91Å; M77-K160 HydrophobicContact CE-CB 4.18Å; M77-K160 HydrophobicContact SD-CB 3.8Å; M77-K160 HydrophobicContact SD-CD 4.25Å; M77-K160 HydrophobicContact SD-CG 3.87Å
78	D	98	Very high	97.3	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	24%	0.237	S	C	*	.	S	Bend	trans	-45.6	141.3	-178.9	-63.7	-17	0	0	0	112.9	G80 T81	D78-G80 PolarHBondContact O-N 3.22Å; D78-T81 VanDerWaalsContact O-CB 3.23Å; D78-T81 WeakPolarHBondContact O-CB 3.31Å; D78-T81 PolarHBondContact O-N 3.04Å; D78-T81 VanDerWaalsContact O-N 3.1Å; D78-T81 PolarHBondContact O-OG1 3.28Å
79	P	98.5	Very high	96.8	Very high	27 Å²	27	46.6 Å²	46.6	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.8	174.1	-27.3	34.9	0	0	0	112.7	F11 N12 S97	F11-P79 HydrophobicContact CB-CB 3.82Å; F11-P79 WeakPolarHBondContact O-CB 3.45Å; N12-P79 HydrophobicContact CB-CB 4.11Å; N12-P79 HydrophobicContact CB-CG 4.05Å; P79-S97 CarbonylContact C-O 3.53Å; P79-S97 WeakPolarHBondContact CA-O 3.34Å
80	G	98.4	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-2.7	-171.3	0	0	0	0	0	114.2	D78 S97 L163	D78-G80 PolarHBondContact O-N 3.22Å; G80-S97 PolarHBondContact N-O 3.14Å; G80-L163 WeakPolarHBondContact O-CB 3.37Å; G80-L163 PolarHBondContact O-N 3.35Å
81	T	98.7	Very high	96.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-75	129.8	174.2	-58.6	0	0	0	0	111.7	A74 M77 D78 S97	A74-T81 HydrophobicContact CB-CG2 4.15Å; M77-T81 HydrophobicContact CB-CG2 3.93Å; M77-T81 HydrophobicContact CE-CG2 4.08Å; M77-T81 HydrophobicContact SD-CG2 4.02Å; D78-T81 VanDerWaalsContact O-CB 3.23Å; D78-T81 WeakPolarHBondContact O-CB 3.31Å; D78-T81 PolarHBondContact O-N 3.04Å; D78-T81 VanDerWaalsContact O-N 3.1Å; D78-T81 PolarHBondContact O-OG1 3.28Å; T81-S97 PolarHBondContact O-N 2.81Å
82	A	98.8	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.9	175.6	0	0	0	0	0	111.6	A74 V84 I94 N95 I96 F158 K160 V161 L163	A74-A82 WeakPolarHBondContact CB-O 3.31Å; A82-V84 HydrophobicContact CB-CG2 4.34Å; A82-I94 HydrophobicContact CB-CD1 4.09Å; A82-I94 HydrophobicContact CB-CG1 4.42Å; A82-N95 CarbonylContact C-O 3.54Å; A82-N95 WeakPolarHBondContact CA-O 3.46Å; A82-I96 HydrophobicContact CB-CD1 4.5Å; A82-F158 WeakPolarHBondContact CB-O 3.42Å; A82-K160 WeakPolarHBondContact O-CA 3.28Å; A82-K160 PolarHBondContact O-N 3.44Å; A82-V161 PolarHBondContact N-O 2.89Å; A82-L163 HydrophobicContact CB-CD1 4.09Å; A82-L163 HydrophobicContact CB-CD2 3.87Å; A82-L163 HydrophobicContact CB-CG 3.95Å
83	Y	98.7	Very high	96.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	103.4	166.9	171.2	-137.9	0	0	0	109.2	H62 R71 N72 A74 M75 Y85 N95	H62-Y83 PolarHBondContact CE1-OH 2.98Å; H62-Y83 VanDerWaalsContact CE1-OH 3.31Å; H62-Y83 AromaticContact ND1-CE1 3.57Å; H62-Y83 AromaticContact ND1-CZ 3.6Å; H62-Y83 PolarHBondContact ND1-OH 3.2Å; R71-Y83 HydrophobicContact CG-CE2 4.4Å; R71-Y83 PolarHBondContact NE-OH 2.82Å; R71-Y83 WeakPolarHBondContact O-CE2 3.29Å; N72-Y83 HydrophobicContact CB-CE2 4.44Å; A74-Y83 HydrophobicContact CB-CD2 4.1Å; A74-Y83 HydrophobicContact CB-CG 4.2Å; M75-Y83 HydrophobicContact CG-CD1 3.39Å; M75-Y83 HydrophobicContact CG-CE1 4.02Å; M75-Y83 HydrophobicContact CG-CG 3.8Å; M75-Y83 HydrophobicContact SD-CD1 3.5Å; M75-Y83 VanDerWaalsContact SD-CD1 3.5Å; M75-Y83 HydrophobicContact SD-CE1 3.53Å; M75-Y83 VanDerWaalsContact SD-CE1 3.53Å; M75-Y83 HydrophobicContact SD-CG 4.42Å; Y83-Y85 HydrophobicContact CD1-CD1 4.02Å; Y83-Y85 HydrophobicContact CD1-CE1 4.46Å; Y83-Y85 AromaticContact CE1-CD1 3.35Å; Y83-Y85 HydrophobicContact CE1-CD1 3.35Å; Y83-Y85 AromaticContact CE1-CE1 3.79Å; Y83-Y85 HydrophobicContact CE1-CE1 3.79Å; Y83-Y85 HydrophobicContact CE1-CG 4.24Å; Y83-Y85 AromaticContact CE2-CD1 3.94Å; Y83-Y85 HydrophobicContact CE2-CD1 3.94Å; Y83-Y85 HydrophobicContact CE2-CG 4.21Å; Y83-Y85 AromaticContact CZ-CD1 3.28Å; Y83-Y85 AromaticContact CZ-CG 3.72Å; Y83-Y85 VanDerWaalsContact OH-CB 3.29Å; Y83-Y85 WeakPolarHBondContact OH-CB 3.33Å; Y83-Y85 VanDerWaalsContact OH-CD1 3.24Å; Y83-Y85 WeakPolarHBondContact OH-CD1 3.28Å; Y83-Y85 VanDerWaalsContact OH-CG 3.27Å; Y83-N95 HydrophobicContact CD1-CB 4.15Å; Y83-N95 WeakPolarHBondContact CD1-ND2 3.36Å; Y83-N95 PolarHBondContact N-O 3.44Å; Y83-N95 PolarHBondContact O-N 3.28Å; Y83-N95 PolarHBondContact O-ND2 2.92Å; Y83-N95 VanDerWaalsContact O-ND2 3.08Å
84	V	98.6	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.3	-178.6	-172.4	0	0	0	0	109.9	A82 Q92 C93 I94 I153 K155 F158 D159	A82-V84 HydrophobicContact CB-CG2 4.34Å; V84-Q92 HydrophobicContact CG1-CB 4.37Å; V84-C93 VanDerWaalsContact CA-O 3.31Å; V84-C93 WeakPolarHBondContact CA-O 3.5Å; V84-I94 HydrophobicContact CG2-CB 4.1Å; V84-I94 HydrophobicContact CG2-CD1 3.89Å; V84-I94 HydrophobicContact CG2-CG1 3.85Å; V84-I153 HydrophobicContact CG1-CG2 4.31Å; V84-I153 HydrophobicContact CG2-CG2 4.2Å; V84-K155 HydrophobicContact CB-CB 4.4Å; V84-K155 HydrophobicContact CG1-CB 4.02Å; V84-K155 WeakPolarHBondContact O-CG 3.32Å; V84-F158 HydrophobicContact CG2-CB 4.03Å; V84-D159 HydrophobicContact CB-CB 4.16Å; V84-D159 PolarHBondContact N-OD1 3.09Å
85	Y	97.8	Very high	96.3	Very high	16 Å²	16	42.1 Å²	42.1	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.8	-174.8	70.8	-96.1	0	0	0	113.9	H62 Y83 I87 Q92 C93 N95	H62-Y85 AromaticContact CE1-CE1 3.88Å; H62-Y85 AromaticContact CE1-CE2 3.83Å; H62-Y85 AromaticContact CE1-CZ 3.71Å; Y83-Y85 HydrophobicContact CD1-CD1 4.02Å; Y83-Y85 HydrophobicContact CD1-CE1 4.46Å; Y83-Y85 AromaticContact CE1-CD1 3.35Å; Y83-Y85 HydrophobicContact CE1-CD1 3.35Å; Y83-Y85 AromaticContact CE1-CE1 3.79Å; Y83-Y85 HydrophobicContact CE1-CE1 3.79Å; Y83-Y85 HydrophobicContact CE1-CG 4.24Å; Y83-Y85 AromaticContact CE2-CD1 3.94Å; Y83-Y85 HydrophobicContact CE2-CD1 3.94Å; Y83-Y85 HydrophobicContact CE2-CG 4.21Å; Y83-Y85 AromaticContact CZ-CD1 3.28Å; Y83-Y85 AromaticContact CZ-CG 3.72Å; Y83-Y85 VanDerWaalsContact OH-CB 3.29Å; Y83-Y85 WeakPolarHBondContact OH-CB 3.33Å; Y83-Y85 VanDerWaalsContact OH-CD1 3.24Å; Y83-Y85 WeakPolarHBondContact OH-CD1 3.28Å; Y83-Y85 VanDerWaalsContact OH-CG 3.27Å; Y85-I87 HydrophobicContact CD2-CB 4.38Å; Y85-I87 HydrophobicContact CE2-CB 3.96Å; Y85-I87 HydrophobicContact CE2-CD1 4.4Å; Y85-I87 HydrophobicContact CE2-CG1 4.37Å; Y85-Q92 VanDerWaalsContact O-CA 3.26Å; Y85-Q92 WeakPolarHBondContact O-CA 3.17Å; Y85-C93 HydrophobicContact CD1-CB 4.29Å; Y85-C93 HydrophobicContact CE1-CB 3.76Å; Y85-C93 HydrophobicContact CE2-CB 4.18Å; Y85-C93 PolarHBondContact N-O 3.21Å; Y85-C93 PolarHBondContact O-N 3.34Å; Y85-N95 WeakPolarHBondContact CE1-ND2 3.28Å
86	N	96.5	Very high	96.3	Very high	73 Å²	73	41.9 Å²	41.9	39%	0.39	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.7	173.2	-66.5	-19.8	0	0	0	111.1	R71 Y91 Q92	R71-N86 PolarHBondContact NH2-O 3Å; N86-Y91 CarbonylContact C-O 3.59Å; N86-Y91 VanDerWaalsContact CA-O 3.27Å; N86-Y91 WeakPolarHBondContact CA-O 3.39Å; N86-Q92 VanDerWaalsContact OD1-CG 3.25Å; N86-Q92 WeakPolarHBondContact OD1-CG 3.43Å; N86-Q92 PolarHBondContact OD1-NE2 2.94Å
87	I	91.9	Very high	96.4	Very high	41 Å²	41	39.9 Å²	39.9	21%	0.21	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.5	172.5	-161.7	177.3	0	0	0	109.4	Y85 G89 M90 Y91	Y85-I87 HydrophobicContact CD2-CB 4.38Å; Y85-I87 HydrophobicContact CE2-CB 3.96Å; Y85-I87 HydrophobicContact CE2-CD1 4.4Å; Y85-I87 HydrophobicContact CE2-CG1 4.37Å; I87-G89 PolarHBondContact O-N 3.33Å; I87-G89 VanDerWaalsContact O-N 3.08Å; I87-M90 PolarHBondContact O-N 3.2Å; I87-Y91 PolarHBondContact N-O 3.36Å; I87-Y91 PolarHBondContact O-N 3Å
88	Y	89.1	Confident	96.4	Very high	181 Å²	181	36.8 Å²	36.8	71%	0.71	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.2	-176.6	-49.4	-63.6	0	0	0	114.1	M90	Y88-M90 PolarHBondContact O-N 3.31Å
89	G	86.8	Confident	96.4	Very high	74 Å²	74	37.8 Å²	37.8	76%	0.763	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-20.4	176.2	0	0	0	0	0	116.6	I87	I87-G89 PolarHBondContact O-N 3.33Å; I87-G89 VanDerWaalsContact O-N 3.08Å
90	M	88.6	Confident	96.3	Very high	109 Å²	109	38.8 Å²	38.8	54%	0.537	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-18.5	-171	73.3	-172.8	94.2	0	0	115.2	I87 Y88	I87-M90 PolarHBondContact O-N 3.2Å; Y88-M90 PolarHBondContact O-N 3.31Å
91	Y	94.6	Very high	96.2	Very high	93 Å²	93	45.5 Å²	45.5	37%	0.365	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	159.5	-177.5	-65.5	-59.1	0	0	0	110.5	N86 I87 S145	N86-Y91 CarbonylContact C-O 3.59Å; N86-Y91 VanDerWaalsContact CA-O 3.27Å; N86-Y91 WeakPolarHBondContact CA-O 3.39Å; I87-Y91 PolarHBondContact N-O 3.36Å; I87-Y91 PolarHBondContact O-N 3Å; Y91-S145 WeakPolarHBondContact CB-OG 3.41Å
92	Q	97.3	Very high	96.2	Very high	36 Å²	36	45.4 Å²	45.4	17%	0.168	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.6	177.1	-66.7	-171.4	-1.7	0	0	111.6	V84 Y85 N86 S145 C148 I153	V84-Q92 HydrophobicContact CG1-CB 4.37Å; Y85-Q92 VanDerWaalsContact O-CA 3.26Å; Y85-Q92 WeakPolarHBondContact O-CA 3.17Å; N86-Q92 VanDerWaalsContact OD1-CG 3.25Å; N86-Q92 WeakPolarHBondContact OD1-CG 3.43Å; N86-Q92 PolarHBondContact OD1-NE2 2.94Å; Q92-S145 VanDerWaalsContact O-CA 3.26Å; Q92-S145 WeakPolarHBondContact O-CA 3.35Å; Q92-C148 HydrophobicContact CB-CB 4.41Å; Q92-C148 PolarHBondContact O-SG 3.38Å; Q92-I153 PolarHBondContact OE1-O 3.23Å
93	C	98	Very high	96.2	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.4	171.3	-66.6	0	0	0	0	108.9	V84 Y85 L106	V84-C93 VanDerWaalsContact CA-O 3.31Å; V84-C93 WeakPolarHBondContact CA-O 3.5Å; Y85-C93 HydrophobicContact CD1-CB 4.29Å; Y85-C93 HydrophobicContact CE1-CB 3.76Å; Y85-C93 HydrophobicContact CE2-CB 4.18Å; Y85-C93 PolarHBondContact N-O 3.21Å; Y85-C93 PolarHBondContact O-N 3.34Å; C93-L106 HydrophobicContact CB-CD1 3.81Å
94	I	98.8	Very high	96.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.6	173.7	-178.5	162.1	0	0	0	110.2	F27 A82 V84 I96 L106 L107 I153 L169	F27-I94 HydrophobicContact CZ-CD1 3.94Å; A82-I94 HydrophobicContact CB-CD1 4.09Å; A82-I94 HydrophobicContact CB-CG1 4.42Å; V84-I94 HydrophobicContact CG2-CB 4.1Å; V84-I94 HydrophobicContact CG2-CD1 3.89Å; V84-I94 HydrophobicContact CG2-CG1 3.85Å; I94-I96 HydrophobicContact CD1-CD1 4.36Å; I94-I96 HydrophobicContact CG1-CD1 4.15Å; I94-L106 WeakPolarHBondContact O-CD1 3.19Å; I94-L107 HydrophobicContact CG2-CB 4.19Å; I94-L107 HydrophobicContact CG2-CD1 4Å; I94-L107 HydrophobicContact CG2-CG 4.23Å; I94-L107 PolarHBondContact O-N 3.13Å; I94-L107 VanDerWaalsContact O-N 3.12Å; I94-I153 HydrophobicContact CB-CG2 4.34Å; I94-I153 HydrophobicContact CD1-CD1 4.38Å; I94-I153 HydrophobicContact CD1-CG2 3.91Å; I94-I153 HydrophobicContact CG2-CD1 4.42Å; I94-L169 HydrophobicContact CD1-CD2 4Å
95	N	98.7	Very high	96.2	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157	173.9	-40.9	-104.4	0	0	0	108.5	A82 Y83 Y85 A104 V105 L106	A82-N95 CarbonylContact C-O 3.54Å; A82-N95 WeakPolarHBondContact CA-O 3.46Å; Y83-N95 HydrophobicContact CD1-CB 4.15Å; Y83-N95 WeakPolarHBondContact CD1-ND2 3.36Å; Y83-N95 PolarHBondContact N-O 3.44Å; Y83-N95 PolarHBondContact O-N 3.28Å; Y83-N95 PolarHBondContact O-ND2 2.92Å; Y83-N95 VanDerWaalsContact O-ND2 3.08Å; Y85-N95 WeakPolarHBondContact CE1-ND2 3.28Å; N95-A104 HydrophobicContact CB-CB 4Å; N95-V105 CarbonylContact C-O 3.42Å; N95-V105 WeakPolarHBondContact CA-O 3.3Å; N95-V105 WeakPolarHBondContact CB-O 3.26Å; N95-L106 WeakPolarHBondContact OD1-CA 3.4Å; N95-L106 VanDerWaalsContact OD1-CB 3.28Å; N95-L106 WeakPolarHBondContact OD1-CB 3.36Å; N95-L106 WeakPolarHBondContact OD1-CD1 3.41Å
96	I	98.8	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.9	178.5	-47.7	-56.9	0	0	0	108.5	F11 A82 I94 A104 V105 L107 L163 F171	F11-I96 HydrophobicContact CD1-CG2 3.65Å; F11-I96 HydrophobicContact CE1-CG2 3.82Å; F11-I96 HydrophobicContact CG-CG2 4.42Å; A82-I96 HydrophobicContact CB-CD1 4.5Å; I94-I96 HydrophobicContact CD1-CD1 4.36Å; I94-I96 HydrophobicContact CG1-CD1 4.15Å; I96-A104 CarbonylContact O-C 3.56Å; I96-A104 WeakPolarHBondContact O-CA 3.41Å; I96-A104 WeakPolarHBondContact O-CB 3.11Å; I96-V105 PolarHBondContact N-O 3.21Å; I96-V105 PolarHBondContact O-N 3.29Å; I96-L107 HydrophobicContact CG1-CD2 4.4Å; I96-L163 HydrophobicContact CD1-CD1 3.51Å; I96-F171 HydrophobicContact CD1-CE2 3.72Å; I96-F171 HydrophobicContact CD1-CZ 3.86Å; I96-F171 HydrophobicContact CG1-CE2 3.72Å; I96-F171 HydrophobicContact CG1-CZ 3.67Å; I96-F171 HydrophobicContact CG2-CE2 4.44Å
97	S	98.7	Very high	96.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.7	173.7	-172.4	0	0	0	0	110.2	A74 M77 P79 G80 T81	A74-S97 WeakPolarHBondContact O-CB 3.17Å; M77-S97 PolarHBondContact O-OG 2.91Å; P79-S97 CarbonylContact C-O 3.53Å; P79-S97 WeakPolarHBondContact CA-O 3.34Å; G80-S97 PolarHBondContact N-O 3.14Å; T81-S97 PolarHBondContact O-N 2.81Å
98	T	98.7	Very high	96.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	21%	0.212	C	C	.	.			trans	-128.5	-177.4	179.6	54.8	0	0	0	0	109.9	F11 C15 V18 G100 A103 V105	F11-T98 WeakPolarHBondContact O-CA 3.25Å; C15-T98 WeakPolarHBondContact CB-OG1 3.36Å; V18-T98 HydrophobicContact CB-CG2 3.9Å; V18-T98 HydrophobicContact CG1-CG2 3.79Å; V18-T98 HydrophobicContact CG2-CG2 4.11Å; T98-G100 PolarHBondContact O-N 3.31Å; T98-A103 PolarHBondContact N-O 3.43Å; T98-A103 PolarHBondContact OG1-O 3.43Å; T98-A103 VanDerWaalsContact OG1-O 3.12Å; T98-V105 HydrophobicContact CG2-CG2 3.82Å
99	K	98.2	Very high	97.1	Very high	128 Å²	128	31.9 Å²	31.9	56%	0.557	18%	0.178	S	C	*	.	S	Bend	trans	-62.7	132.4	173.3	-170.2	178.3	177.4	178.3	0	110.4	F11 R13	F11-K99 PolarHBondContact O-N 3.11Å; R13-K99 WeakPolarHBondContact O-CB 3.48Å; R13-K99 PolarHBondContact O-N 2.74Å; R13-K99 VanDerWaalsContact O-N 3.17Å
100	G	96.4	Very high	97.7	Very high	48 Å²	48	28.3 Å²	28.3	50%	0.495	14%	0.142	S	C	.	.	S	Bend	trans	111.6	143	178.1	0	0	0	0	0	112.8	T98 G102 A103	T98-G100 PolarHBondContact O-N 3.31Å; G100-G102 PolarHBondContact O-N 3.42Å; G100-A103 WeakPolarHBondContact O-CB 3.46Å; G100-A103 PolarHBondContact O-N 3.17Å; G100-A103 VanDerWaalsContact O-N 3.1Å
101	E	97	Very high	98.1	Very high	140 Å²	140	25.3 Å²	25.3	65%	0.654	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	120.2	-175.9	-65.6	-168.1	137.8	0	0	111.6	G55 L56 F76 A103	G55-E101 VanDerWaalsContact CA-O 3.3Å; G55-E101 WeakPolarHBondContact CA-O 3.45Å; L56-E101 HydrophobicContact CD1-CB 3.7Å; L56-E101 VanDerWaalsContact CD1-O 3.22Å; L56-E101 WeakPolarHBondContact CD1-O 3.24Å; F76-E101 HydrophobicContact CD1-CB 4.43Å; F76-E101 HydrophobicContact CE1-CB 4.47Å; E101-A103 PolarHBondContact O-N 3.36Å
102	G	98.2	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	6.4	179.6	0	0	0	0	0	114.3	G55 S63 M75 G100	G55-G102 WeakPolarHBondContact CA-O 3.5Å; S63-G102 PolarHBondContact OG-O 2.84Å; S63-G102 VanDerWaalsContact OG-O 3.09Å; M75-G102 WeakPolarHBondContact CE-O 3.25Å; M75-G102 CarbonylContact O-C 3.56Å; M75-G102 WeakPolarHBondContact O-CA 3.33Å; M75-G102 PolarHBondContact O-N 2.88Å; M75-G102 VanDerWaalsContact O-N 3.12Å; G100-G102 PolarHBondContact O-N 3.42Å
103	A	98.7	Very high	98.3	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.1	-177.2	0	0	0	0	0	111.1	C15 Y53 T98 G100 E101	C15-A103 HydrophobicContact CB-CB 4.14Å; Y53-A103 WeakPolarHBondContact O-CA 3.46Å; T98-A103 PolarHBondContact N-O 3.43Å; T98-A103 PolarHBondContact OG1-O 3.43Å; T98-A103 VanDerWaalsContact OG1-O 3.12Å; G100-A103 WeakPolarHBondContact O-CB 3.46Å; G100-A103 PolarHBondContact O-N 3.17Å; G100-A103 VanDerWaalsContact O-N 3.1Å; E101-A103 PolarHBondContact O-N 3.36Å
104	A	98.7	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.5	-179.1	0	0	0	0	0	113.6	C15 Y53 M75 N95 I96	C15-A104 PolarHBondContact SG-O 3.43Å; C15-A104 VanDerWaalsContact SG-O 3.39Å; Y53-A104 WeakPolarHBondContact CB-O 3.44Å; Y53-A104 PolarHBondContact N-O 3.2Å; Y53-A104 PolarHBondContact O-N 2.85Å; M75-A104 HydrophobicContact CE-CB 3.82Å; M75-A104 HydrophobicContact CG-CB 4.29Å; N95-A104 HydrophobicContact CB-CB 4Å; I96-A104 CarbonylContact O-C 3.56Å; I96-A104 WeakPolarHBondContact O-CA 3.41Å; I96-A104 WeakPolarHBondContact O-CB 3.11Å
105	V	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.3	174.9	-178.6	0	0	0	0	110.5	V18 A19 L22 T50 E51 N95 I96 T98	V18-V105 HydrophobicContact CB-CG2 4.35Å; V18-V105 HydrophobicContact CG1-CG2 4.16Å; A19-V105 HydrophobicContact CB-CB 4.46Å; A19-V105 HydrophobicContact CB-CG1 3.81Å; A19-V105 HydrophobicContact CB-CG2 3.78Å; L22-V105 HydrophobicContact CD1-CB 4.23Å; L22-V105 HydrophobicContact CD1-CG1 3.92Å; T50-V105 HydrophobicContact CG2-CG1 4.1Å; E51-V105 CarbonylContact O-C 3.45Å; E51-V105 VanDerWaalsContact O-CA 3.31Å; E51-V105 WeakPolarHBondContact O-CA 3.41Å; N95-V105 CarbonylContact C-O 3.42Å; N95-V105 WeakPolarHBondContact CA-O 3.3Å; N95-V105 WeakPolarHBondContact CB-O 3.26Å; I96-V105 PolarHBondContact N-O 3.21Å; I96-V105 PolarHBondContact O-N 3.29Å; T98-V105 HydrophobicContact CG2-CG2 3.82Å
106	L	98.8	Very high	98	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131	170.5	174.3	65.4	0	0	0	110.4	T50 E51 Y53 C93 I94 N95 R108 P144	T50-L106 VanDerWaalsContact CA-O 3.3Å; T50-L106 WeakPolarHBondContact CA-O 3.4Å; E51-L106 HydrophobicContact CB-CB 4.22Å; E51-L106 PolarHBondContact N-O 3.24Å; E51-L106 PolarHBondContact O-N 3.07Å; E51-L106 WeakPolarHBondContact OE2-CD2 3.39Å; Y53-L106 HydrophobicContact CD2-CB 4.27Å; Y53-L106 HydrophobicContact CE2-CB 3.76Å; Y53-L106 HydrophobicContact CE2-CD2 4.16Å; C93-L106 HydrophobicContact CB-CD1 3.81Å; I94-L106 WeakPolarHBondContact O-CD1 3.19Å; N95-L106 WeakPolarHBondContact OD1-CA 3.4Å; N95-L106 VanDerWaalsContact OD1-CB 3.28Å; N95-L106 WeakPolarHBondContact OD1-CB 3.36Å; N95-L106 WeakPolarHBondContact OD1-CD1 3.41Å; L106-R108 HydrophobicContact CD2-CG 3.89Å; L106-R108 HydrophobicContact CG-CG 3.93Å; L106-P144 HydrophobicContact CD1-CB 4.19Å
107	L	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.6	170.1	-47.8	-174.1	0	0	0	109.7	L22 F27 L47 T50 I94 I96 P144 L147 F171	L22-L107 HydrophobicContact CD1-CD2 4.22Å; F27-L107 HydrophobicContact CD1-CD1 3.93Å; F27-L107 HydrophobicContact CE1-CD1 3.67Å; F27-L107 HydrophobicContact CE2-CD1 4.43Å; F27-L107 HydrophobicContact CG-CD1 4.38Å; F27-L107 HydrophobicContact CZ-CD1 3.94Å; L47-L107 HydrophobicContact CD1-CD2 3.8Å; L47-L107 HydrophobicContact CD2-CB 4.39Å; L47-L107 HydrophobicContact CD2-CD1 4.35Å; L47-L107 HydrophobicContact CD2-CD2 4.43Å; T50-L107 HydrophobicContact CG2-CD2 4.45Å; I94-L107 HydrophobicContact CG2-CB 4.19Å; I94-L107 HydrophobicContact CG2-CD1 4Å; I94-L107 HydrophobicContact CG2-CG 4.23Å; I94-L107 PolarHBondContact O-N 3.13Å; I94-L107 VanDerWaalsContact O-N 3.12Å; I96-L107 HydrophobicContact CG1-CD2 4.4Å; L107-P144 WeakPolarHBondContact O-CB 3.29Å; L107-L147 HydrophobicContact CB-CD2 3.78Å; L107-F171 HydrophobicContact CD1-CE1 4.05Å; L107-F171 HydrophobicContact CD1-CZ 3.78Å; L107-F171 HydrophobicContact CD2-CE1 4.44Å; L107-F171 HydrophobicContact CD2-CZ 4.25Å
108	R	98.6	Very high	97.8	Very high	21 Å²	21	36.1 Å²	36.1	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-45.6	-173.6	-68.2	-165.7	65.4	86.2	13.3	114.7	E49 E51 L106 G143	E49-R108 HydrophobicContact CB-CB 4.05Å; E49-R108 HydrophobicContact CG-CB 3.67Å; E49-R108 HydrophobicContact CG-CG 4.45Å; E49-R108 PolarHBondContact O-N 3.1Å; E49-R108 VanDerWaalsContact OE1-CD 3.31Å; E49-R108 WeakPolarHBondContact OE1-CD 3.43Å; E49-R108 IonicContact OE1-NE 3.38Å; E49-R108 PolarHBondContact OE1-NE 3.18Å; E51-R108 HydrophobicContact CG-CG 4.29Å; E51-R108 WeakPolarHBondContact OE1-CD 3.37Å; E51-R108 IonicContact OE1-CZ 2.7Å; E51-R108 IonicContact OE1-NE 3.87Å; E51-R108 IonicContact OE1-NH1 2.75Å; E51-R108 PolarHBondContact OE1-NH1 3.43Å; E51-R108 WeakPolarHBondContact OE2-CD 3.26Å; E51-R108 IonicContact OE2-CZ 3.07Å; E51-R108 IonicContact OE2-NE 3.9Å; E51-R108 IonicContact OE2-NH1 3.55Å; E51-R108 PolarHBondContact OE2-NH1 3.37Å; L106-R108 HydrophobicContact CD2-CG 3.89Å; L106-R108 HydrophobicContact CG-CG 3.93Å; R108-G143 CarbonylContact O-C 3.5Å; R108-G143 WeakPolarHBondContact O-CA 3.4Å; R108-G143 PolarHBondContact O-N 3.4Å; R108-G143 VanDerWaalsContact O-N 3.12Å
109	A	98.6	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.6	-178.6	0	0	0	0	0	112.5	V48 E49 C141 F215	V48-A109 HydrophobicContact CG2-CB 3.95Å; V48-A109 PolarHBondContact N-O 3.24Å; E49-A109 HydrophobicContact CB-CB 3.7Å; E49-A109 PolarHBondContact N-O 3.48Å; E49-A109 PolarHBondContact O-N 3.41Å; E49-A109 WeakPolarHBondContact OE2-CB 3.48Å; A109-C141 WeakPolarHBondContact CA-O 3.3Å; A109-C141 WeakPolarHBondContact CB-O 3.29Å; A109-F215 WeakPolarHBondContact CB-O 3.31Å
110	A	98.5	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.9	-178.6	0	0	0	0	0	111.9	V45 R46 L47 C141 L147	V45-A110 HydrophobicContact CB-CB 3.57Å; V45-A110 HydrophobicContact CG1-CB 4.34Å; V45-A110 HydrophobicContact CG2-CB 3.51Å; R46-A110 CarbonylContact O-C 3.53Å; R46-A110 WeakPolarHBondContact O-CA 3.15Å; R46-A110 VanDerWaalsContact O-CB 3.27Å; R46-A110 WeakPolarHBondContact O-CB 3.41Å; L47-A110 HydrophobicContact CD2-CB 4.19Å; A110-C141 HydrophobicContact CB-CB 4.21Å; A110-C141 PolarHBondContact N-O 3.09Å; A110-C141 WeakPolarHBondContact O-CB 3.49Å; A110-L147 HydrophobicContact CB-CD1 3.96Å
111	E	98	Very high	97.6	Very high	45 Å²	45	33.2 Å²	33.2	21%	0.21	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.9	168.2	169.6	178.9	-155.4	0	0	109.3	V45 R46 V48 L113 F215	V45-E111 CarbonylContact C-O 3.6Å; V45-E111 WeakPolarHBondContact CA-O 3.44Å; V45-E111 WeakPolarHBondContact CB-O 3.42Å; R46-E111 HydrophobicContact CB-CB 4.29Å; R46-E111 IonicContact CZ-OE2 3.44Å; R46-E111 PolarHBondContact N-O 3.04Å; R46-E111 IonicContact NH1-OE1 3.33Å; R46-E111 IonicContact NH1-OE2 2.77Å; R46-E111 PolarHBondContact NH1-OE2 2.83Å; R46-E111 PolarHBondContact O-N 2.8Å; V48-E111 HydrophobicContact CG1-CB 4.24Å; E111-L113 HydrophobicContact CG-CD2 3.82Å; E111-L113 HydrophobicContact CG-CG 4.46Å; E111-F215 HydrophobicContact CB-CB 4.44Å; E111-F215 HydrophobicContact CB-CD1 4.42Å; E111-F215 HydrophobicContact CB-CD2 3.63Å; E111-F215 HydrophobicContact CB-CE2 3.91Å; E111-F215 HydrophobicContact CB-CG 3.91Å; E111-F215 HydrophobicContact CB-CZ 4.43Å; E111-F215 HydrophobicContact CG-CD2 3.81Å; E111-F215 HydrophobicContact CG-CE1 4.5Å; E111-F215 HydrophobicContact CG-CE2 3.53Å; E111-F215 HydrophobicContact CG-CG 4.42Å; E111-F215 HydrophobicContact CG-CZ 3.91Å
112	P	98	Very high	97.6	Very high	7 Å²	7	27 Å²	27	5%	0.045	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.5	172	-20.5	34	0	0	0	112.7	V116 M119 L137 L140 C141	P112-V116 HydrophobicContact CB-CG1 4.06Å; P112-V116 HydrophobicContact CB-CG2 3.82Å; P112-M119 HydrophobicContact CB-SD 3.77Å; P112-M119 HydrophobicContact CG-SD 4.38Å; P112-L137 HydrophobicContact CB-CD1 4.17Å; P112-L137 HydrophobicContact CG-CD1 4.26Å; P112-L140 HydrophobicContact CG-CB 3.95Å; P112-L140 HydrophobicContact CG-CD1 4.21Å; P112-C141 HydrophobicContact CG-CB 4.32Å
113	L	96.9	Very high	97.5	Very high	50 Å²	50	28.2 Å²	28.2	26%	0.262	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-51.8	-175.3	-62.2	177.9	0	0	0	114.7	M1 L26 V44 R46 E111	M1-L113 HydrophobicContact CE-CD1 4.4Å; L26-L113 HydrophobicContact CD2-CD1 3.54Å; V44-L113 HydrophobicContact CB-CB 4.47Å; V44-L113 HydrophobicContact CG1-CB 4.39Å; V44-L113 HydrophobicContact CG1-CD1 4.29Å; V44-L113 WeakPolarHBondContact O-CA 3.45Å; V44-L113 WeakPolarHBondContact O-CB 3.2Å; V44-L113 PolarHBondContact O-N 2.71Å; R46-L113 HydrophobicContact CB-CD1 3.82Å; R46-L113 HydrophobicContact CB-CG 4.46Å; E111-L113 HydrophobicContact CG-CD2 3.82Å; E111-L113 HydrophobicContact CG-CG 4.46Å
114	E	96.6	Very high	97.3	Very high	40 Å²	40	29.7 Å²	29.7	19%	0.187	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140	-178.8	-63.5	-170.6	-179.9	0	0	111	M1 R42 V44 V116 M119	M1-E114 WeakPolarHBondContact CB-OE1 3.1Å; M1-E114 PolarHBondContact N-OE1 2.99Å; R42-E114 IonicContact CZ-OE2 2.75Å; R42-E114 IonicContact NE-OE2 2.72Å; R42-E114 PolarHBondContact NE-OE2 2.99Å; R42-E114 VanDerWaalsContact NH2-CD 3.26Å; R42-E114 IonicContact NH2-OE1 3.59Å; R42-E114 PolarHBondContact NH2-OE1 3.01Å; R42-E114 IonicContact NH2-OE2 2.91Å; R42-E114 PolarHBondContact NH2-OE2 2.78Å; V44-E114 HydrophobicContact CB-CB 3.85Å; V44-E114 HydrophobicContact CB-CG 3.96Å; V44-E114 HydrophobicContact CG2-CB 3.88Å; V44-E114 HydrophobicContact CG2-CG 3.94Å; V44-E114 PolarHBondContact O-N 3.17Å; E114-V116 PolarHBondContact O-N 3.35Å; E114-M119 VanDerWaalsContact O-CE 3.29Å; E114-M119 WeakPolarHBondContact O-CE 3.48Å
115	N	96.6	Very high	97.1	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.294	17%	0.172	S	C	.	.	S	Bend	trans	54	48.8	177.7	-64.8	-49	0	0	0	113.4	L41 R42 L43 E117 W118 M119	L41-N115 HydrophobicContact CD1-CB 4.24Å; R42-N115 PolarHBondContact O-ND2 3.44Å; L43-N115 HydrophobicContact CD2-CB 3.69Å; N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 VanDerWaalsContact CA-OE1 3.31Å; N115-E117 WeakPolarHBondContact CA-OE1 3.46Å; N115-E117 PolarHBondContact O-N 3.17Å; N115-W118 HydrophobicContact CB-CB 4.5Å; N115-W118 WeakPolarHBondContact O-CB 3.41Å; N115-W118 PolarHBondContact O-N 3.39Å; N115-M119 PolarHBondContact O-N 3.26Å
116	V	97.3	Very high	96.7	Very high	35 Å²	35	39.3 Å²	39.3	21%	0.212	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-33.9	-173.6	179.1	0	0	0	0	112.1	P112 E114 W118 M119 A120 L137 L140	P112-V116 HydrophobicContact CB-CG1 4.06Å; P112-V116 HydrophobicContact CB-CG2 3.82Å; E114-V116 PolarHBondContact O-N 3.35Å; V116-W118 VanDerWaalsContact C-N 3.26Å; V116-W118 PolarHBondContact O-N 2.9Å; V116-M119 WeakPolarHBondContact O-CB 3.47Å; V116-M119 PolarHBondContact O-N 2.95Å; V116-M119 VanDerWaalsContact O-N 3.14Å; V116-A120 PolarHBondContact O-N 3.12Å; V116-L137 HydrophobicContact CG1-CD1 3.51Å; V116-L140 HydrophobicContact CG1-CD1 3.38Å
117	E	95.6	Very high	96.1	Very high	113 Å²	113	40.9 Å²	40.9	53%	0.528	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-37.9	173.5	66.8	-64.9	152	0	0	111.9	N115 A120 H121	N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 VanDerWaalsContact CA-OE1 3.31Å; N115-E117 WeakPolarHBondContact CA-OE1 3.46Å; N115-E117 PolarHBondContact O-N 3.17Å; E117-A120 PolarHBondContact O-N 3.45Å; E117-H121 PolarHBondContact O-N 3.46Å
118	W	95.9	Very high	95.6	Very high	66 Å²	66	50 Å²	50	25%	0.25	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-37	173.8	-77	109.5	0	0	0	112.4	W31 P33 L41 L43 N115 V116 A120 H121 L122	W31-W118 HydrophobicContact CH2-CD2 4.29Å; W31-W118 AromaticContact CH2-CE3 3.58Å; W31-W118 HydrophobicContact CH2-CE3 3.58Å; W31-W118 AromaticContact CH2-CZ3 3.72Å; W31-W118 HydrophobicContact CH2-CZ3 3.72Å; W31-W118 AromaticContact CZ3-CD2 3.78Å; W31-W118 HydrophobicContact CZ3-CD2 3.78Å; W31-W118 AromaticContact CZ3-CE3 3.56Å; W31-W118 HydrophobicContact CZ3-CE3 3.56Å; W31-W118 HydrophobicContact CZ3-CG 4.26Å; W31-W118 AromaticContact CZ3-CZ3 3.98Å; W31-W118 HydrophobicContact CZ3-CZ3 3.98Å; P33-W118 HydrophobicContact CB-CH2 4.41Å; L41-W118 HydrophobicContact CD1-CG 4.23Å; L43-W118 HydrophobicContact CD2-CB 3.84Å; N115-W118 HydrophobicContact CB-CB 4.5Å; N115-W118 WeakPolarHBondContact O-CB 3.41Å; N115-W118 PolarHBondContact O-N 3.39Å; V116-W118 VanDerWaalsContact C-N 3.26Å; V116-W118 PolarHBondContact O-N 2.9Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.26Å; W118-H121 HydrophobicContact CE3-CB 4.19Å; W118-H121 AromaticContact CE3-CD2 3.74Å; W118-H121 AromaticContact CZ3-CD2 3.66Å; W118-H121 WeakPolarHBondContact O-CB 3.3Å; W118-H121 PolarHBondContact O-N 3.31Å; W118-L122 WeakPolarHBondContact O-CB 3.04Å; W118-L122 VanDerWaalsContact O-CG 3.29Å; W118-L122 WeakPolarHBondContact O-CG 3.2Å; W118-L122 PolarHBondContact O-N 2.86Å
119	M	97.9	Very high	95.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-42.1	172.3	-60.9	-176	-168.6	0	0	111.6	L43 V44 V45 P112 E114 N115 V116 R123 A150 L151	L43-M119 HydrophobicContact CB-CE 3.95Å; V44-M119 WeakPolarHBondContact O-CE 3.27Å; V45-M119 HydrophobicContact CG1-CE 3.6Å; V45-M119 HydrophobicContact CG1-SD 3.9Å; P112-M119 HydrophobicContact CB-SD 3.77Å; P112-M119 HydrophobicContact CG-SD 4.38Å; E114-M119 VanDerWaalsContact O-CE 3.29Å; E114-M119 WeakPolarHBondContact O-CE 3.48Å; N115-M119 PolarHBondContact O-N 3.26Å; V116-M119 WeakPolarHBondContact O-CB 3.47Å; V116-M119 PolarHBondContact O-N 2.95Å; V116-M119 VanDerWaalsContact O-N 3.14Å; M119-R123 WeakPolarHBondContact O-CB 3.46Å; M119-R123 VanDerWaalsContact O-CG 3.31Å; M119-R123 WeakPolarHBondContact O-CG 3.36Å; M119-R123 PolarHBondContact O-N 2.89Å; M119-R123 VanDerWaalsContact O-N 3.11Å; M119-A150 WeakPolarHBondContact CA-O 3.48Å; M119-A150 HydrophobicContact CB-CB 3.97Å; M119-A150 HydrophobicContact CG-CB 4.34Å; M119-A150 WeakPolarHBondContact CG-O 3.08Å; M119-L151 HydrophobicContact CE-CD2 3.96Å; M119-L151 HydrophobicContact SD-CD2 4.49Å
120	A	97.2	Very high	94.6	Very high	26 Å²	26	63.9 Å²	63.9	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175	0	0	0	0	0	112.1	V116 E117 W118 R123 N124 F135 L140	V116-A120 PolarHBondContact O-N 3.12Å; E117-A120 PolarHBondContact O-N 3.45Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.26Å; A120-R123 PolarHBondContact O-N 3.18Å; A120-N124 PolarHBondContact O-N 2.91Å; A120-N124 VanDerWaalsContact O-N 3.12Å; A120-N124 PolarHBondContact O-ND2 3.5Å; A120-F135 HydrophobicContact CB-CD2 4.19Å; A120-L140 HydrophobicContact CB-CD2 3.85Å
121	H	95.3	Very high	94.3	Very high	91 Å²	91	71.9 Å²	71.9	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-53.6	175	175.5	80.2	0	0	0	111.5	E117 W118 R123 N124 C125	E117-H121 PolarHBondContact O-N 3.46Å; W118-H121 HydrophobicContact CE3-CB 4.19Å; W118-H121 AromaticContact CE3-CD2 3.74Å; W118-H121 AromaticContact CZ3-CD2 3.66Å; W118-H121 WeakPolarHBondContact O-CB 3.3Å; W118-H121 PolarHBondContact O-N 3.31Å; H121-R123 VanDerWaalsContact C-N 3.27Å; H121-R123 PolarHBondContact O-N 2.73Å; H121-N124 WeakPolarHBondContact O-CA 3.35Å; H121-N124 WeakPolarHBondContact O-CB 3.31Å; H121-N124 PolarHBondContact O-N 2.89Å; H121-C125 VanDerWaalsContact CE1-SG 3.58Å; H121-C125 PolarHBondContact NE2-SG 2.93Å; H121-C125 VanDerWaalsContact NE2-SG 3.35Å; H121-C125 PolarHBondContact O-N 3.11Å; H121-C125 PolarHBondContact O-SG 3.37Å; H121-C125 VanDerWaalsContact O-SG 3.37Å
122	L	96.3	Very high	94	Very high	11 Å²	11	74.9 Å²	74.9	6%	0.058	37%	0.372	C	S	.	.	H	α-helix	trans	-57	-40.7	179.9	-73.2	170.3	0	0	0	112.3	W31 L43 W118 N124 C125 R126 Q149 A150 D152	W31-L122 HydrophobicContact CH2-CD2 4.29Å; W31-L122 HydrophobicContact CZ2-CD2 3.61Å; W31-L122 HydrophobicContact CZ2-CG 4.37Å; L43-L122 HydrophobicContact CD1-CD1 3.61Å; W118-L122 WeakPolarHBondContact O-CB 3.04Å; W118-L122 VanDerWaalsContact O-CG 3.29Å; W118-L122 WeakPolarHBondContact O-CG 3.2Å; W118-L122 PolarHBondContact O-N 2.86Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 2.91Å; L122-C125 PolarHBondContact O-N 3.23Å; L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 2.96Å; L122-Q149 WeakPolarHBondContact CB-O 3.16Å; L122-A150 WeakPolarHBondContact CD1-O 3.44Å; L122-D152 HydrophobicContact CD1-CB 4.09Å; L122-D152 HydrophobicContact CD2-CB 4.09Å
123	R	96.3	Very high	93.7	Very high	25 Å²	25	75.2 Å²	75.2	9%	0.094	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-34.8	174.7	-76	-157.1	60.5	-172.3	-16.4	113.9	M119 A120 H121 S127 F135 E139 L140 Q149 A150	M119-R123 WeakPolarHBondContact O-CB 3.46Å; M119-R123 VanDerWaalsContact O-CG 3.31Å; M119-R123 WeakPolarHBondContact O-CG 3.36Å; M119-R123 PolarHBondContact O-N 2.89Å; M119-R123 VanDerWaalsContact O-N 3.11Å; A120-R123 PolarHBondContact O-N 3.18Å; H121-R123 VanDerWaalsContact C-N 3.27Å; H121-R123 PolarHBondContact O-N 2.73Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.19Å; R123-F135 HydrophobicContact CB-CD2 4.38Å; R123-F135 HydrophobicContact CB-CE2 3.58Å; R123-F135 HydrophobicContact CB-CZ 3.84Å; R123-E139 PolarHBondContact NH1-O 2.89Å; R123-L140 VanDerWaalsContact CD-O 3.23Å; R123-L140 WeakPolarHBondContact CD-O 3.23Å; R123-L140 VanDerWaalsContact NH1-C 3.26Å; R123-L140 VanDerWaalsContact NH1-CA 3.33Å; R123-L140 PolarHBondContact NH1-O 3.44Å; R123-Q149 HydrophobicContact CG-CB 3.93Å; R123-A150 HydrophobicContact CG-CB 4.09Å
124	N	95.6	Very high	93.5	Very high	36 Å²	36	77.8 Å²	77.8	19%	0.193	40%	0.404	C	S	.	.	H	α-helix	trans	-70.7	-39.2	173.1	-80.5	-44.7	0	0	0	111.5	A120 H121 L122 R126 S127 P132 A133	A120-N124 PolarHBondContact O-N 2.91Å; A120-N124 VanDerWaalsContact O-N 3.12Å; A120-N124 PolarHBondContact O-ND2 3.5Å; H121-N124 WeakPolarHBondContact O-CA 3.35Å; H121-N124 WeakPolarHBondContact O-CB 3.31Å; H121-N124 PolarHBondContact O-N 2.89Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 2.91Å; N124-R126 VanDerWaalsContact C-N 3.28Å; N124-R126 PolarHBondContact O-N 3.28Å; N124-S127 WeakPolarHBondContact O-CB 3.47Å; N124-S127 PolarHBondContact O-N 3.24Å; N124-S127 VanDerWaalsContact O-N 3.11Å; N124-P132 HydrophobicContact CB-CB 4.46Å; N124-P132 WeakPolarHBondContact OD1-CA 3.1Å; N124-A133 PolarHBondContact ND2-O 3.3Å; N124-A133 VanDerWaalsContact ND2-O 3.08Å; N124-A133 PolarHBondContact OD1-N 3.12Å
125	C	93.2	Very high	93.4	Very high	82 Å²	82	78.1 Å²	78.1	55%	0.554	41%	0.405	S	S	*	.	H	α-helix	trans	-63.9	-30.2	176.4	-64.1	0	0	0	0	113.4	H121 L122 S127	H121-C125 VanDerWaalsContact CE1-SG 3.58Å; H121-C125 PolarHBondContact NE2-SG 2.93Å; H121-C125 VanDerWaalsContact NE2-SG 3.35Å; H121-C125 PolarHBondContact O-N 3.11Å; H121-C125 PolarHBondContact O-SG 3.37Å; H121-C125 VanDerWaalsContact O-SG 3.37Å; L122-C125 PolarHBondContact O-N 3.23Å; C125-S127 VanDerWaalsContact C-N 3.35Å
126	R	90.4	Very high	93.3	Very high	119 Å²	119	80.8 Å²	80.8	45%	0.449	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2	176	-62.4	-66	-176.9	-164.5	-8.6	113.9	L122 N124 Q149 D152 R154	L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 2.96Å; N124-R126 VanDerWaalsContact C-N 3.28Å; N124-R126 PolarHBondContact O-N 3.28Å; R126-Q149 HydrophobicContact CB-CB 4.49Å; R126-Q149 HydrophobicContact CB-CG 4.01Å; R126-Q149 HydrophobicContact CG-CG 4.26Å; R126-D152 IonicContact CZ-OD1 2.94Å; R126-D152 IonicContact NE-OD1 3.43Å; R126-D152 IonicContact NH2-OD1 2.94Å; R126-D152 PolarHBondContact NH2-OD1 2.86Å; R126-R154 VanDerWaalsContact NH2-CD 3.28Å
127	S	87.6	Confident	93.3	Very high	37 Å²	37	83.4 Å²	83.4	26%	0.259	43%	0.426	S	S	.	.			trans	-92.7	138.5	-177.4	169.5	0	0	0	0	111	R123 N124 C125 R129	R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.19Å; N124-S127 WeakPolarHBondContact O-CB 3.47Å; N124-S127 PolarHBondContact O-N 3.24Å; N124-S127 VanDerWaalsContact O-N 3.11Å; C125-S127 VanDerWaalsContact C-N 3.35Å; S127-R129 PolarHBondContact O-N 2.59Å; S127-R129 VanDerWaalsContact OG-CB 3.28Å; S127-R129 WeakPolarHBondContact OG-CB 3.28Å; S127-R129 WeakPolarHBondContact OG-CD 3.18Å; S127-R129 WeakPolarHBondContact OG-CG 3.27Å; S127-R129 PolarHBondContact OG-N 2.72Å; S127-R129 VanDerWaalsContact OG-N 3.15Å
128	K	86.6	Confident	93.3	Very high	192 Å²	192	83.5 Å²	83.5	84%	0.835	42%	0.422	S	S	*	.			trans	-78.6	6.8	172.3	-62.8	-175.4	178.5	-178.1	0	113.6
129	R	88	Confident	93.3	Very high	165 Å²	165	83.4 Å²	83.4	62%	0.623	42%	0.424	S	S	*	.			trans	-74.2	138.1	-177.6	-66.7	168.9	67.2	135.1	4.6	110.4	S127 K131	S127-R129 PolarHBondContact O-N 2.59Å; S127-R129 VanDerWaalsContact OG-CB 3.28Å; S127-R129 WeakPolarHBondContact OG-CB 3.28Å; S127-R129 WeakPolarHBondContact OG-CD 3.18Å; S127-R129 WeakPolarHBondContact OG-CG 3.27Å; S127-R129 PolarHBondContact OG-N 2.72Å; S127-R129 VanDerWaalsContact OG-N 3.15Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 2.97Å
130	T	89	Confident	93.2	Very high	147 Å²	147	83.6 Å²	83.6	90%	0.902	43%	0.425	S	S	*	.	S	Bend	trans	-65.3	-29.7	175.1	-41	0	0	0	0	113.1
131	K	91.4	Very high	93.3	Very high	167 Å²	167	82.4 Å²	82.4	73%	0.726	42%	0.415	S	S	*	.	S	Bend	trans	-117.5	135.3	178.6	-66.6	-175.6	-179.8	-179.3	0	110.4	R129 A133	R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 2.97Å; K131-A133 PolarHBondContact O-N 3.08Å
132	P	91.5	Very high	93.4	Very high	108 Å²	108	79.2 Å²	79.2	70%	0.701	40%	0.401	S	S	*	.			trans	-53.5	135.9	171.6	-25.4	34	0	0	0	111.1	N124	N124-P132 HydrophobicContact CB-CB 4.46Å; N124-P132 WeakPolarHBondContact OD1-CA 3.1Å
133	A	92.2	Very high	93.4	Very high	14 Å²	14	79.1 Å²	79.1	12%	0.116	40%	0.402	C	S	.	.			trans	-82.8	137.5	172.4	0	0	0	0	0	110.1	N124 K131 F135	N124-A133 PolarHBondContact ND2-O 3.3Å; N124-A133 VanDerWaalsContact ND2-O 3.08Å; N124-A133 PolarHBondContact OD1-N 3.12Å; K131-A133 PolarHBondContact O-N 3.08Å; A133-F135 HydrophobicContact CB-CD1 4.08Å; A133-F135 HydrophobicContact CB-CE1 3.64Å; A133-F135 HydrophobicContact CB-CE2 4.21Å; A133-F135 HydrophobicContact CB-CZ 3.72Å; A133-F135 PolarHBondContact O-N 2.79Å
134	A	93.9	Very high	93.5	Very high	105 Å²	105	78.8 Å²	78.8	87%	0.868	40%	0.403	S	S	*	.			trans	-85.5	86.7	165.4	0	0	0	0	0	108.6
135	F	93.7	Very high	93.6	Very high	46 Å²	46	78.1 Å²	78.1	20%	0.202	40%	0.402	C	S	.	.			trans	-66.4	137.7	-180	-57.5	-68.7	0	0	0	110.9	A120 R123 A133 L140	A120-F135 HydrophobicContact CB-CD2 4.19Å; R123-F135 HydrophobicContact CB-CD2 4.38Å; R123-F135 HydrophobicContact CB-CE2 3.58Å; R123-F135 HydrophobicContact CB-CZ 3.84Å; A133-F135 HydrophobicContact CB-CD1 4.08Å; A133-F135 HydrophobicContact CB-CE1 3.64Å; A133-F135 HydrophobicContact CB-CE2 4.21Å; A133-F135 HydrophobicContact CB-CZ 3.72Å; A133-F135 PolarHBondContact O-N 2.79Å; F135-L140 HydrophobicContact CB-CD2 3.6Å; F135-L140 HydrophobicContact CB-CG 4.21Å; F135-L140 HydrophobicContact CD2-CD2 3.76Å; F135-L140 HydrophobicContact CG-CD2 3.86Å
136	K	95.2	Very high	93.8	Very high	112 Å²	112	77.6 Å²	77.6	49%	0.487	39%	0.39	S	S	.	.			trans	-69	150.5	162.2	-62.3	178	-177.6	174.3	0	108.7	R138 E139	K136-R138 VanDerWaalsContact C-N 3.26Å; K136-R138 HydrophobicContact CB-CG 4.26Å; K136-R138 PolarHBondContact O-N 2.78Å; K136-E139 HydrophobicContact CB-CG 4.07Å; K136-E139 PolarHBondContact N-OE2 2.79Å; K136-E139 WeakPolarHBondContact O-CA 3.45Å; K136-E139 WeakPolarHBondContact O-CB 3.38Å; K136-E139 PolarHBondContact O-N 2.75Å
137	L	95.9	Very high	94.2	Very high	90 Å²	90	72 Å²	72	47%	0.471	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-50	-46.8	180	-175.1	63.1	0	0	0	112.4	P112 V116 E139 L140 F215	P112-L137 HydrophobicContact CB-CD1 4.17Å; P112-L137 HydrophobicContact CG-CD1 4.26Å; V116-L137 HydrophobicContact CG1-CD1 3.51Å; L137-E139 PolarHBondContact O-N 2.7Å; L137-E139 VanDerWaalsContact O-N 3.14Å; L137-L140 HydrophobicContact CD1-CD1 4.24Å; L137-L140 PolarHBondContact O-N 2.73Å; L137-F215 HydrophobicContact CD2-CE1 4.41Å; L137-F215 HydrophobicContact CD2-CZ 4.08Å; L137-F215 HydrophobicContact CG-CE1 3.94Å; L137-F215 HydrophobicContact CG-CZ 4.11Å
138	R	95.8	Very high	94.7	Very high	114 Å²	114	70.3 Å²	70.3	43%	0.43	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.8	-19.7	177.3	71.2	175.3	178.7	-112.5	8.8	114.9	K136 N142 F215	K136-R138 VanDerWaalsContact C-N 3.26Å; K136-R138 HydrophobicContact CB-CG 4.26Å; K136-R138 PolarHBondContact O-N 2.78Å; R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 PolarHBondContact O-ND2 3.36Å; R138-F215 HydrophobicContact CB-CD1 4.34Å; R138-F215 HydrophobicContact CB-CE1 4.39Å
139	E	95.5	Very high	95.2	Very high	64 Å²	64	62.7 Å²	62.7	30%	0.299	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-88.5	-15	-175.2	-67.2	168.8	170.4	0	0	112.1	R123 K136 L137 N142	R123-E139 PolarHBondContact NH1-O 2.89Å; K136-E139 HydrophobicContact CB-CG 4.07Å; K136-E139 PolarHBondContact N-OE2 2.79Å; K136-E139 WeakPolarHBondContact O-CA 3.45Å; K136-E139 WeakPolarHBondContact O-CB 3.38Å; K136-E139 PolarHBondContact O-N 2.75Å; L137-E139 PolarHBondContact O-N 2.7Å; L137-E139 VanDerWaalsContact O-N 3.14Å; E139-N142 PolarHBondContact O-OD1 2.65Å
140	L	97.3	Very high	95.7	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.295	C	S	.	.	S	Bend	trans	-67.5	-45.1	-171.5	-72.5	175.1	0	0	0	113.2	P112 V116 A120 R123 F135 L137	P112-L140 HydrophobicContact CG-CB 3.95Å; P112-L140 HydrophobicContact CG-CD1 4.21Å; V116-L140 HydrophobicContact CG1-CD1 3.38Å; A120-L140 HydrophobicContact CB-CD2 3.85Å; R123-L140 VanDerWaalsContact CD-O 3.23Å; R123-L140 WeakPolarHBondContact CD-O 3.23Å; R123-L140 VanDerWaalsContact NH1-C 3.26Å; R123-L140 VanDerWaalsContact NH1-CA 3.33Å; R123-L140 PolarHBondContact NH1-O 3.44Å; F135-L140 HydrophobicContact CB-CD2 3.6Å; F135-L140 HydrophobicContact CB-CG 4.21Å; F135-L140 HydrophobicContact CD2-CD2 3.76Å; F135-L140 HydrophobicContact CG-CD2 3.86Å; L137-L140 HydrophobicContact CD1-CD1 4.24Å; L137-L140 PolarHBondContact O-N 2.73Å
141	C	98.1	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-126.7	23.6	-173.6	-65.5	0	0	0	0	112.6	A109 A110 P112 G143 L147 A150	A109-C141 WeakPolarHBondContact CA-O 3.3Å; A109-C141 WeakPolarHBondContact CB-O 3.29Å; A110-C141 HydrophobicContact CB-CB 4.21Å; A110-C141 PolarHBondContact N-O 3.09Å; A110-C141 WeakPolarHBondContact O-CB 3.49Å; P112-C141 HydrophobicContact CG-CB 4.32Å; C141-G143 VanDerWaalsContact C-N 3.31Å; C141-G143 PolarHBondContact O-N 3.46Å; C141-L147 HydrophobicContact CB-CD1 4.24Å; C141-A150 WeakPolarHBondContact SG-CB 3.48Å
142	N	97.7	Very high	96.4	Very high	25 Å²	25	40.2 Å²	40.2	13%	0.134	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-90.9	51.1	-178.4	72.2	-16.3	0	0	0	113.5	R138 E139 K146 F215 S217	R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 PolarHBondContact O-ND2 3.36Å; E139-N142 PolarHBondContact O-OD1 2.65Å; N142-K146 WeakPolarHBondContact OD1-CD 3.16Å; N142-K146 PolarHBondContact OD1-NZ 3.38Å; N142-F215 VanDerWaalsContact CB-O 3.28Å; N142-F215 WeakPolarHBondContact CB-O 3.38Å; N142-S217 WeakPolarHBondContact O-CA 2.92Å; N142-S217 WeakPolarHBondContact O-CB 3.33Å
143	G	97.2	Very high	96.7	Very high	8 Å²	8	35.2 Å²	35.2	8%	0.082	19%	0.187	C	C	.	.	S	Bend	trans	168.4	149.5	176.3	0	0	0	0	0	111.4	R108 C141 S145 K146 L147	R108-G143 CarbonylContact O-C 3.5Å; R108-G143 WeakPolarHBondContact O-CA 3.4Å; R108-G143 PolarHBondContact O-N 3.4Å; R108-G143 VanDerWaalsContact O-N 3.12Å; C141-G143 VanDerWaalsContact C-N 3.31Å; C141-G143 PolarHBondContact O-N 3.46Å; G143-S145 VanDerWaalsContact C-N 3.34Å; G143-S145 PolarHBondContact O-N 2.67Å; G143-K146 WeakPolarHBondContact O-CA 3.31Å; G143-K146 WeakPolarHBondContact O-CB 3.49Å; G143-K146 PolarHBondContact O-N 3.1Å; G143-L147 PolarHBondContact O-N 2.95Å
144	P	98	Very high	96.9	Very high	18 Å²	18	37.2 Å²	37.2	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-45.5	-167.8	20.5	-32.9	0	0	0	111.8	L106 L107 K146 L147 C148	L106-P144 HydrophobicContact CD1-CB 4.19Å; L107-P144 WeakPolarHBondContact O-CB 3.29Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 2.85Å; P144-L147 PolarHBondContact O-N 2.84Å; P144-C148 PolarHBondContact O-N 3.34Å; P144-C148 VanDerWaalsContact O-N 3.17Å; P144-C148 PolarHBondContact O-SG 3.46Å; P144-C148 VanDerWaalsContact O-SG 3.4Å
145	S	97.5	Very high	97	Very high	23 Å²	23	36.3 Å²	36.3	16%	0.161	17%	0.168	C	C	.	.	H	α-helix	trans	-69.8	-29.6	177	-42.7	0	0	0	0	114	Y91 Q92 G143 Q149	Y91-S145 WeakPolarHBondContact CB-OG 3.41Å; Q92-S145 VanDerWaalsContact O-CA 3.26Å; Q92-S145 WeakPolarHBondContact O-CA 3.35Å; G143-S145 VanDerWaalsContact C-N 3.34Å; G143-S145 PolarHBondContact O-N 2.67Å; S145-Q149 VanDerWaalsContact O-CG 3.27Å; S145-Q149 WeakPolarHBondContact O-CG 3.33Å; S145-Q149 PolarHBondContact O-N 2.85Å; S145-Q149 VanDerWaalsContact O-N 3.09Å
146	K	97.8	Very high	97.2	Very high	71 Å²	71	39.3 Å²	39.3	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-71.7	-41.7	178.4	-65.6	174.9	178.8	170	0	110.5	N142 G143 P144 Q149 A150	N142-K146 WeakPolarHBondContact OD1-CD 3.16Å; N142-K146 PolarHBondContact OD1-NZ 3.38Å; G143-K146 WeakPolarHBondContact O-CA 3.31Å; G143-K146 WeakPolarHBondContact O-CB 3.49Å; G143-K146 PolarHBondContact O-N 3.1Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 2.85Å; K146-Q149 PolarHBondContact O-N 3.29Å; K146-A150 VanDerWaalsContact O-CB 3.29Å; K146-A150 WeakPolarHBondContact O-CB 3.37Å; K146-A150 PolarHBondContact O-N 3.22Å
147	L	98.4	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.3	-49.5	172.6	174.9	62.4	0	0	0	111	V45 L47 L107 A110 C141 G143 P144 Q149 A150 L151	V45-L147 HydrophobicContact CG1-CD1 4.44Å; V45-L147 HydrophobicContact CG2-CD1 3.93Å; L47-L147 HydrophobicContact CD2-CD2 4.49Å; L107-L147 HydrophobicContact CB-CD2 3.78Å; A110-L147 HydrophobicContact CB-CD1 3.96Å; C141-L147 HydrophobicContact CB-CD1 4.24Å; G143-L147 PolarHBondContact O-N 2.95Å; P144-L147 PolarHBondContact O-N 2.84Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 2.75Å; L147-A150 PolarHBondContact O-N 2.9Å; L147-L151 HydrophobicContact CD1-CD1 3.55Å; L147-L151 HydrophobicContact CD1-CG 4.15Å; L147-L151 HydrophobicContact CG-CD1 4.32Å; L147-L151 PolarHBondContact O-N 3.12Å; L147-L151 VanDerWaalsContact O-N 3.09Å
148	C	98.3	Very high	97.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-44	176.9	-65.9	0	0	0	0	112.4	Q92 P144 L151 D152 I153	Q92-C148 HydrophobicContact CB-CB 4.41Å; Q92-C148 PolarHBondContact O-SG 3.38Å; P144-C148 PolarHBondContact O-N 3.34Å; P144-C148 VanDerWaalsContact O-N 3.17Å; P144-C148 PolarHBondContact O-SG 3.46Å; P144-C148 VanDerWaalsContact O-SG 3.4Å; C148-L151 PolarHBondContact O-N 3.45Å; C148-D152 PolarHBondContact O-N 2.87Å; C148-D152 VanDerWaalsContact O-N 3.1Å; C148-I153 HydrophobicContact CB-CB 4.17Å; C148-I153 PolarHBondContact O-N 3.12Å
149	Q	97.5	Very high	97.5	Very high	32 Å²	32	29.3 Å²	29.3	15%	0.15	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-42.8	177.2	-71.9	174.3	-12	0	0	112.6	L122 R123 R126 S145 K146 L147 L151 D152	L122-Q149 WeakPolarHBondContact CB-O 3.16Å; R123-Q149 HydrophobicContact CG-CB 3.93Å; R126-Q149 HydrophobicContact CB-CB 4.49Å; R126-Q149 HydrophobicContact CB-CG 4.01Å; R126-Q149 HydrophobicContact CG-CG 4.26Å; S145-Q149 VanDerWaalsContact O-CG 3.27Å; S145-Q149 WeakPolarHBondContact O-CG 3.33Å; S145-Q149 PolarHBondContact O-N 2.85Å; S145-Q149 VanDerWaalsContact O-N 3.09Å; K146-Q149 PolarHBondContact O-N 3.29Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 2.75Å; Q149-L151 PolarHBondContact O-N 3.39Å; Q149-D152 PolarHBondContact O-N 3Å
150	A	98.1	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-28.8	180	0	0	0	0	0	113.1	M119 L122 R123 C141 K146 L147	M119-A150 WeakPolarHBondContact CA-O 3.48Å; M119-A150 HydrophobicContact CB-CB 3.97Å; M119-A150 HydrophobicContact CG-CB 4.34Å; M119-A150 WeakPolarHBondContact CG-O 3.08Å; L122-A150 WeakPolarHBondContact CD1-O 3.44Å; R123-A150 HydrophobicContact CG-CB 4.09Å; C141-A150 WeakPolarHBondContact SG-CB 3.48Å; K146-A150 VanDerWaalsContact O-CB 3.29Å; K146-A150 WeakPolarHBondContact O-CB 3.37Å; K146-A150 PolarHBondContact O-N 3.22Å; L147-A150 PolarHBondContact O-N 2.9Å
151	L	98.2	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	7.7	-178.7	-64	-178.7	0	0	0	113.8	F27 R29 L43 V45 M119 L147 C148 Q149 I153	F27-L151 HydrophobicContact CD1-CD1 3.68Å; F27-L151 HydrophobicContact CE1-CD1 4.08Å; R29-L151 HydrophobicContact CB-CB 4.42Å; R29-L151 HydrophobicContact CB-CD2 4.43Å; R29-L151 WeakPolarHBondContact CD-O 3.37Å; R29-L151 VanDerWaalsContact CG-O 3.3Å; R29-L151 WeakPolarHBondContact CG-O 3.49Å; L43-L151 HydrophobicContact CB-CD2 3.55Å; L43-L151 HydrophobicContact CD1-CD2 4.34Å; V45-L151 HydrophobicContact CG1-CD1 4.37Å; V45-L151 HydrophobicContact CG1-CD2 4Å; V45-L151 HydrophobicContact CG1-CG 4.46Å; V45-L151 HydrophobicContact CG2-CD1 3.99Å; M119-L151 HydrophobicContact CE-CD2 3.96Å; M119-L151 HydrophobicContact SD-CD2 4.49Å; L147-L151 HydrophobicContact CD1-CD1 3.55Å; L147-L151 HydrophobicContact CD1-CG 4.15Å; L147-L151 HydrophobicContact CG-CD1 4.32Å; L147-L151 PolarHBondContact O-N 3.12Å; L147-L151 VanDerWaalsContact O-N 3.09Å; C148-L151 PolarHBondContact O-N 3.45Å; Q149-L151 PolarHBondContact O-N 3.39Å; L151-I153 HydrophobicContact CB-CD1 3.82Å; L151-I153 HydrophobicContact CB-CG1 3.82Å; L151-I153 HydrophobicContact CD1-CD1 3.97Å; L151-I153 PolarHBondContact O-N 2.91Å
152	D	97.2	Very high	97.7	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.032	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	43.1	-170.2	-164.4	45.7	0	0	0	113.5	L122 R126 C148 Q149 R154	L122-D152 HydrophobicContact CD1-CB 4.09Å; L122-D152 HydrophobicContact CD2-CB 4.09Å; R126-D152 IonicContact CZ-OD1 2.94Å; R126-D152 IonicContact NE-OD1 3.43Å; R126-D152 IonicContact NH2-OD1 2.94Å; R126-D152 PolarHBondContact NH2-OD1 2.86Å; C148-D152 PolarHBondContact O-N 2.87Å; C148-D152 VanDerWaalsContact O-N 3.1Å; Q149-D152 PolarHBondContact O-N 3Å; D152-R154 PolarHBondContact O-N 2.87Å; D152-R154 IonicContact OD1-NE 2.83Å; D152-R154 IonicContact OD2-CZ 2.71Å; D152-R154 IonicContact OD2-NE 2.77Å; D152-R154 PolarHBondContact OD2-NE 2.72Å; D152-R154 IonicContact OD2-NH2 3.52Å; D152-R154 PolarHBondContact OD2-NH2 2.86Å
153	I	97.7	Very high	97.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.161	C	C	.	.			trans	-80.1	114.2	174.3	-64	168.4	0	0	0	107.4	F27 V84 Q92 I94 C148 L151 F158 L169	F27-I153 HydrophobicContact CD1-CD1 4.38Å; F27-I153 HydrophobicContact CE1-CD1 3.4Å; F27-I153 VanDerWaalsContact CE1-CD1 3.4Å; F27-I153 HydrophobicContact CZ-CD1 3.99Å; V84-I153 HydrophobicContact CG1-CG2 4.31Å; V84-I153 HydrophobicContact CG2-CG2 4.2Å; Q92-I153 PolarHBondContact OE1-O 3.23Å; I94-I153 HydrophobicContact CB-CG2 4.34Å; I94-I153 HydrophobicContact CD1-CD1 4.38Å; I94-I153 HydrophobicContact CD1-CG2 3.91Å; I94-I153 HydrophobicContact CG2-CD1 4.42Å; C148-I153 HydrophobicContact CB-CB 4.17Å; C148-I153 PolarHBondContact O-N 3.12Å; L151-I153 HydrophobicContact CB-CD1 3.82Å; L151-I153 HydrophobicContact CB-CG1 3.82Å; L151-I153 HydrophobicContact CD1-CD1 3.97Å; L151-I153 PolarHBondContact O-N 2.91Å; I153-F158 HydrophobicContact CB-CD2 4.42Å; I153-F158 HydrophobicContact CG2-CB 4.46Å; I153-F158 HydrophobicContact CG2-CD2 4.09Å; I153-L169 HydrophobicContact CD1-CD1 4.21Å; I153-L169 HydrophobicContact CD1-CD2 4.33Å; I153-L169 HydrophobicContact CG1-CD1 4.29Å; I153-L169 HydrophobicContact CG1-CD2 4.21Å
154	R	95.8	Very high	97.7	Very high	55 Å²	55	33 Å²	33	21%	0.208	17%	0.166	C	C	.	.			trans	-118.9	141.1	-179.9	-63.7	-173.8	-94	156.3	-13.9	112.8	E34 R126 D152 D156 L157 F158	E34-R154 IonicContact OE1-NH2 3.22Å; R126-R154 VanDerWaalsContact NH2-CD 3.28Å; D152-R154 PolarHBondContact O-N 2.87Å; D152-R154 IonicContact OD1-NE 2.83Å; D152-R154 IonicContact OD2-CZ 2.71Å; D152-R154 IonicContact OD2-NE 2.77Å; D152-R154 PolarHBondContact OD2-NE 2.72Å; D152-R154 IonicContact OD2-NH2 3.52Å; D152-R154 PolarHBondContact OD2-NH2 2.86Å; R154-D156 VanDerWaalsContact C-N 3.31Å; R154-D156 VanDerWaalsContact CB-OD1 3.25Å; R154-D156 WeakPolarHBondContact CB-OD1 3.45Å; R154-D156 IonicContact CZ-OD2 3.28Å; R154-D156 IonicContact NH1-OD2 3.36Å; R154-D156 PolarHBondContact NH1-OD2 2.88Å; R154-D156 PolarHBondContact O-N 2.98Å; R154-L157 HydrophobicContact CB-CB 4.36Å; R154-L157 HydrophobicContact CB-CD1 4.3Å; R154-L157 HydrophobicContact CB-CG 4.16Å; R154-L157 VanDerWaalsContact CZ-CD1 3.44Å; R154-L157 PolarHBondContact O-N 2.86Å; R154-F158 PolarHBondContact O-N 3.4Å
155	K	96.9	Very high	97.6	Very high	86 Å²	86	41.6 Å²	41.6	37%	0.374	20%	0.196	S	C	.	.	H	α-helix	trans	-54	-43.6	174.7	175.2	177.5	168.6	-69	0	112.9	V84 L157 D159	V84-K155 HydrophobicContact CB-CB 4.4Å; V84-K155 HydrophobicContact CG1-CB 4.02Å; V84-K155 WeakPolarHBondContact O-CG 3.32Å; K155-L157 PolarHBondContact O-N 2.81Å; K155-D159 HydrophobicContact CG-CB 3.93Å; K155-D159 WeakPolarHBondContact O-CB 3.43Å; K155-D159 PolarHBondContact O-N 3.21Å; K155-D159 VanDerWaalsContact O-N 3.14Å
156	D	96.1	Very high	97.6	Very high	110 Å²	110	41.1 Å²	41.1	59%	0.588	19%	0.193	S	C	*	.	H	α-helix	trans	-64.1	-22	177.8	49.2	-62.7	0	0	0	113.6	R154	R154-D156 VanDerWaalsContact C-N 3.31Å; R154-D156 VanDerWaalsContact CB-OD1 3.25Å; R154-D156 WeakPolarHBondContact CB-OD1 3.45Å; R154-D156 IonicContact CZ-OD2 3.28Å; R154-D156 IonicContact NH1-OD2 3.36Å; R154-D156 PolarHBondContact NH1-OD2 2.88Å; R154-D156 PolarHBondContact O-N 2.98Å
157	L	96.5	Very high	97.5	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.366	21%	0.205	S	C	.	.	H	α-helix	trans	-99.3	-35.5	-179.8	-63.5	-175.2	0	0	0	113.6	R154 K155	R154-L157 HydrophobicContact CB-CB 4.36Å; R154-L157 HydrophobicContact CB-CD1 4.3Å; R154-L157 HydrophobicContact CB-CG 4.16Å; R154-L157 VanDerWaalsContact CZ-CD1 3.44Å; R154-L157 PolarHBondContact O-N 2.86Å; K155-L157 PolarHBondContact O-N 2.81Å
158	F	98.3	Very high	97.5	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-125.5	-10.7	-163.8	-66.2	-64.8	0	0	0	115.5	A82 V84 I153 R154 K160 V161 L169	A82-F158 WeakPolarHBondContact CB-O 3.42Å; V84-F158 HydrophobicContact CG2-CB 4.03Å; I153-F158 HydrophobicContact CB-CD2 4.42Å; I153-F158 HydrophobicContact CG2-CB 4.46Å; I153-F158 HydrophobicContact CG2-CD2 4.09Å; R154-F158 PolarHBondContact O-N 3.4Å; F158-K160 PolarHBondContact O-N 3.07Å; F158-V161 WeakPolarHBondContact O-CB 3.43Å; F158-V161 PolarHBondContact O-N 3.24Å; F158-L169 HydrophobicContact CB-CD2 4.26Å; F158-L169 HydrophobicContact CD1-CB 3.84Å; F158-L169 HydrophobicContact CD1-CD2 3.61Å; F158-L169 HydrophobicContact CD1-CG 4.4Å; F158-L169 HydrophobicContact CD2-CD2 4.15Å; F158-L169 HydrophobicContact CE1-CB 3.45Å; F158-L169 VanDerWaalsContact CE1-CB 3.45Å; F158-L169 HydrophobicContact CE1-CD2 3.95Å; F158-L169 HydrophobicContact CE1-CG 4.33Å; F158-L169 HydrophobicContact CE2-CD2 4.44Å; F158-L169 HydrophobicContact CG-CD2 3.73Å; F158-L169 HydrophobicContact CZ-CB 4.04Å; F158-L169 HydrophobicContact CZ-CD2 4.36Å
159	D	98.5	Very high	97.5	Very high	29 Å²	29	45.3 Å²	45.3	16%	0.155	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	133.2	174.9	-168.8	43.3	0	0	0	110.2	V84 K155 V161	V84-D159 HydrophobicContact CB-CB 4.16Å; V84-D159 PolarHBondContact N-OD1 3.09Å; K155-D159 HydrophobicContact CG-CB 3.93Å; K155-D159 WeakPolarHBondContact O-CB 3.43Å; K155-D159 PolarHBondContact O-N 3.21Å; K155-D159 VanDerWaalsContact O-N 3.14Å; D159-V161 PolarHBondContact O-N 3.11Å
160	K	98.3	Very high	97.5	Very high	74 Å²	74	44.3 Å²	44.3	32%	0.322	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	8.8	-176.3	-53.1	176.4	-171	-169.2	0	115.6	V70 A74 M77 A82 F158	V70-K160 PolarHBondContact O-NZ 3.34Å; V70-K160 VanDerWaalsContact O-NZ 3.16Å; A74-K160 HydrophobicContact CB-CG 3.97Å; M77-K160 HydrophobicContact CE-CB 4.18Å; M77-K160 HydrophobicContact SD-CB 3.8Å; M77-K160 HydrophobicContact SD-CD 4.25Å; M77-K160 HydrophobicContact SD-CG 3.87Å; A82-K160 WeakPolarHBondContact O-CA 3.28Å; A82-K160 PolarHBondContact O-N 3.44Å; F158-K160 PolarHBondContact O-N 3.07Å
161	V	98.4	Very high	97.5	Very high	45 Å²	45	44.4 Å²	44.4	27%	0.273	22%	0.218	S	C	.	.			trans	-77.7	129.7	173.9	177.4	0	0	0	0	110	A82 F158 D159 L163	A82-V161 PolarHBondContact N-O 2.89Å; F158-V161 WeakPolarHBondContact O-CB 3.43Å; F158-V161 PolarHBondContact O-N 3.24Å; D159-V161 PolarHBondContact O-N 3.11Å; V161-L163 HydrophobicContact CB-CD2 4.39Å; V161-L163 HydrophobicContact CG1-CD2 4.11Å; V161-L163 PolarHBondContact O-N 2.94Å
162	N	98.2	Very high	97.5	Very high	31 Å²	31	44.4 Å²	44.4	17%	0.166	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-76.3	110.8	170.4	-173	-43.5	0	0	0	109.8	C164 R165 S166	N162-C164 VanDerWaalsContact C-N 3.27Å; N162-C164 PolarHBondContact O-N 3.48Å; N162-C164 VanDerWaalsContact OD1-CB 3.24Å; N162-C164 WeakPolarHBondContact OD1-CB 3.27Å; N162-C164 PolarHBondContact OD1-N 2.77Å; N162-R165 PolarHBondContact O-N 3.15Å; N162-S166 PolarHBondContact O-N 3.37Å
163	L	98.4	Very high	97.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.1	-173.4	-56.9	-166.5	0	0	0	113.5	F27 G80 A82 I96 V161 R165 L169 F171	F27-L163 HydrophobicContact CE2-CD1 3.95Å; F27-L163 HydrophobicContact CZ-CD1 4.32Å; G80-L163 WeakPolarHBondContact O-CB 3.37Å; G80-L163 PolarHBondContact O-N 3.35Å; A82-L163 HydrophobicContact CB-CD1 4.09Å; A82-L163 HydrophobicContact CB-CD2 3.87Å; A82-L163 HydrophobicContact CB-CG 3.95Å; I96-L163 HydrophobicContact CD1-CD1 3.51Å; V161-L163 HydrophobicContact CB-CD2 4.39Å; V161-L163 HydrophobicContact CG1-CD2 4.11Å; V161-L163 PolarHBondContact O-N 2.94Å; L163-R165 PolarHBondContact O-N 3.39Å; L163-L169 HydrophobicContact CD1-CD2 4.37Å; L163-L169 HydrophobicContact CD1-CG 4.43Å; L163-L169 HydrophobicContact CD2-CB 4.25Å; L163-L169 HydrophobicContact CD2-CD2 4.06Å; L163-L169 HydrophobicContact CD2-CG 4.24Å; L163-F171 HydrophobicContact CD1-CD2 4.38Å; L163-F171 HydrophobicContact CD1-CE2 3.81Å
164	C	97.3	Very high	96.7	Very high	27 Å²	27	48.3 Å²	48.3	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.3	173.2	-48.2	0	0	0	0	111.9	F11 N162	F11-C164 WeakPolarHBondContact CD2-SG 3.26Å; N162-C164 VanDerWaalsContact C-N 3.27Å; N162-C164 PolarHBondContact O-N 3.48Å; N162-C164 VanDerWaalsContact OD1-CB 3.24Å; N162-C164 WeakPolarHBondContact OD1-CB 3.27Å; N162-C164 PolarHBondContact OD1-N 2.77Å
165	R	96.3	Very high	96	Very high	198 Å²	198	48.5 Å²	48.5	75%	0.747	25%	0.245	S	C	*	.	S	Bend	trans	-117.6	1.5	-176.7	-59.8	-178.1	-179	165.2	2.6	113.5	N162 L163	N162-R165 PolarHBondContact O-N 3.15Å; L163-R165 PolarHBondContact O-N 3.39Å
166	S	97.3	Very high	95	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.091	25%	0.25	C	C	.	.			trans	-91.3	130.7	-175.8	173.3	0	0	0	0	111.2	R5 N162 S168 L169	R5-S166 PolarHBondContact NH1-O 3.2Å; N162-S166 PolarHBondContact O-N 3.37Å; S166-S168 PolarHBondContact OG-N 3.34Å; S166-L169 VanDerWaalsContact CB-O 3.25Å; S166-L169 WeakPolarHBondContact CB-O 3.4Å; S166-L169 PolarHBondContact OG-N 3.38Å; S166-L169 VanDerWaalsContact OG-N 3.13Å; S166-L169 PolarHBondContact OG-O 3.12Å
167	D	96.2	Very high	93.1	Very high	107 Å²	107	52 Å²	52	57%	0.572	27%	0.268	S	S	*	.	S	Bend	trans	-83.5	-16.9	171.1	-68.9	-40.1	0	0	0	113.3	R5 V30	R5-D167 IonicContact CZ-OD1 2.68Å; R5-D167 VanDerWaalsContact CZ-OD1 3.28Å; R5-D167 IonicContact NH1-OD1 3.81Å; R5-D167 PolarHBondContact NH1-OD1 3.19Å; R5-D167 IonicContact NH2-OD1 3.96Å; R5-D167 PolarHBondContact NH2-OD1 3.37Å; V30-D167 VanDerWaalsContact CG2-O 3.26Å; V30-D167 WeakPolarHBondContact CG2-O 3.41Å
168	S	97.3	Very high	91.1	Very high	55 Å²	55	52 Å²	52	39%	0.385	29%	0.286	S	S	.	.	S	Bend	trans	-90.4	-27.5	-175.3	-76.9	0	0	0	0	113.3	R29 V30 S166	R29-S168 WeakPolarHBondContact CA-O 3.36Å; R29-S168 WeakPolarHBondContact CD-O 3.37Å; R29-S168 PolarHBondContact NH1-O 2.79Å; V30-S168 PolarHBondContact N-O 3.18Å; S166-S168 PolarHBondContact OG-N 3.34Å
169	L	98.4	Very high	89.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	117.8	-176.7	-172.2	68.2	0	0	0	109.7	F27 V28 R29 I94 I153 F158 L163 S166	F27-L169 HydrophobicContact CD2-CD1 4.43Å; F27-L169 HydrophobicContact CE1-CD1 3.97Å; F27-L169 HydrophobicContact CE2-CD1 3.73Å; F27-L169 HydrophobicContact CE2-CD2 4.29Å; F27-L169 HydrophobicContact CE2-CG 3.74Å; F27-L169 HydrophobicContact CZ-CD1 3.49Å; F27-L169 VanDerWaalsContact CZ-CD1 3.49Å; F27-L169 HydrophobicContact CZ-CD2 3.76Å; F27-L169 HydrophobicContact CZ-CG 3.64Å; V28-L169 VanDerWaalsContact O-CA 3.31Å; V28-L169 WeakPolarHBondContact O-CA 3.43Å; R29-L169 HydrophobicContact CB-CD1 4Å; I94-L169 HydrophobicContact CD1-CD2 4Å; I153-L169 HydrophobicContact CD1-CD1 4.21Å; I153-L169 HydrophobicContact CD1-CD2 4.33Å; I153-L169 HydrophobicContact CG1-CD1 4.29Å; I153-L169 HydrophobicContact CG1-CD2 4.21Å; F158-L169 HydrophobicContact CB-CD2 4.26Å; F158-L169 HydrophobicContact CD1-CB 3.84Å; F158-L169 HydrophobicContact CD1-CD2 3.61Å; F158-L169 HydrophobicContact CD1-CG 4.4Å; F158-L169 HydrophobicContact CD2-CD2 4.15Å; F158-L169 HydrophobicContact CE1-CB 3.45Å; F158-L169 VanDerWaalsContact CE1-CB 3.45Å; F158-L169 HydrophobicContact CE1-CD2 3.95Å; F158-L169 HydrophobicContact CE1-CG 4.33Å; F158-L169 HydrophobicContact CE2-CD2 4.44Å; F158-L169 HydrophobicContact CG-CD2 3.73Å; F158-L169 HydrophobicContact CZ-CB 4.04Å; F158-L169 HydrophobicContact CZ-CD2 4.36Å; L163-L169 HydrophobicContact CD1-CD2 4.37Å; L163-L169 HydrophobicContact CD1-CG 4.43Å; L163-L169 HydrophobicContact CD2-CB 4.25Å; L163-L169 HydrophobicContact CD2-CD2 4.06Å; L163-L169 HydrophobicContact CD2-CG 4.24Å; S166-L169 VanDerWaalsContact CB-O 3.25Å; S166-L169 WeakPolarHBondContact CB-O 3.4Å; S166-L169 PolarHBondContact OG-N 3.38Å; S166-L169 VanDerWaalsContact OG-N 3.13Å; S166-L169 PolarHBondContact OG-O 3.12Å
170	F	98.6	Very high	87.5	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	164.7	-176.6	56.6	-92.1	0	0	0	111.6	L3 R5 F27 V28 V30 A172	L3-F170 HydrophobicContact CD1-CE2 4.34Å; R5-F170 HydrophobicContact CG-CD2 3.69Å; R5-F170 HydrophobicContact CG-CE2 3.94Å; R5-F170 HydrophobicContact CG-CG 4.3Å; F27-F170 WeakPolarHBondContact CD2-O 3.19Å; V28-F170 HydrophobicContact CB-CD2 4.08Å; V28-F170 HydrophobicContact CB-CE1 4.33Å; V28-F170 HydrophobicContact CB-CE2 3.71Å; V28-F170 HydrophobicContact CB-CZ 3.84Å; V28-F170 HydrophobicContact CG1-CE1 4.04Å; V28-F170 HydrophobicContact CG1-CE2 3.91Å; V28-F170 HydrophobicContact CG1-CZ 3.54Å; V28-F170 HydrophobicContact CG2-CD2 4.44Å; V28-F170 HydrophobicContact CG2-CE2 3.98Å; V28-F170 HydrophobicContact CG2-CZ 4.47Å; V28-F170 PolarHBondContact N-O 3.37Å; V28-F170 PolarHBondContact O-N 3.1Å; V30-F170 HydrophobicContact CG2-CE1 3.95Å; F170-A172 HydrophobicContact CD2-CB 4.33Å; F170-A172 HydrophobicContact CE2-CB 4.26Å
171	F	98.3	Very high	86.4	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.9	170.1	-65.9	-84.3	0	0	0	110.8	R5 L6 F11 L22 L26 F27 L47 I96 L107 L163	R5-F171 WeakPolarHBondContact CA-O 3.34Å; L6-F171 HydrophobicContact CB-CB 4.09Å; L6-F171 HydrophobicContact CD1-CB 3.68Å; L6-F171 HydrophobicContact CG-CB 3.9Å; L6-F171 PolarHBondContact N-O 3.13Å; F11-F171 AromaticContact CE1-CD2 3.81Å; F11-F171 HydrophobicContact CE1-CD2 3.81Å; F11-F171 AromaticContact CE1-CE2 3.92Å; F11-F171 HydrophobicContact CE1-CE2 3.92Å; F11-F171 HydrophobicContact CE1-CG 4.46Å; F11-F171 HydrophobicContact CE2-CD2 4.37Å; F11-F171 HydrophobicContact CZ-CB 4.12Å; F11-F171 AromaticContact CZ-CD2 3.33Å; F11-F171 HydrophobicContact CZ-CD2 3.33Å; F11-F171 AromaticContact CZ-CE2 3.9Å; F11-F171 HydrophobicContact CZ-CE2 3.9Å; F11-F171 AromaticContact CZ-CG 3.91Å; F11-F171 HydrophobicContact CZ-CG 3.91Å; L22-F171 HydrophobicContact CD2-CD1 3.76Å; L22-F171 HydrophobicContact CD2-CE1 3.75Å; L22-F171 HydrophobicContact CD2-CG 4.28Å; L22-F171 HydrophobicContact CD2-CZ 4.21Å; L26-F171 CarbonylContact O-C 2.78Å; L26-F171 VanDerWaalsContact O-CA 3.29Å; L26-F171 WeakPolarHBondContact O-CA 3.47Å; F27-F171 HydrophobicContact CB-CD1 4.22Å; F27-F171 HydrophobicContact CB-CE1 4.1Å; F27-F171 AromaticContact CD2-CD1 3.63Å; F27-F171 HydrophobicContact CD2-CD1 3.63Å; F27-F171 HydrophobicContact CD2-CD2 4.28Å; F27-F171 AromaticContact CD2-CE1 3.36Å; F27-F171 HydrophobicContact CD2-CE1 3.36Å; F27-F171 HydrophobicContact CD2-CE2 4.12Å; F27-F171 HydrophobicContact CD2-CG 4.08Å; F27-F171 AromaticContact CD2-CZ 3.67Å; F27-F171 HydrophobicContact CD2-CZ 3.67Å; F27-F171 HydrophobicContact CE2-CD1 4.37Å; F27-F171 HydrophobicContact CE2-CD2 4.32Å; F27-F171 AromaticContact CE2-CE1 3.88Å; F27-F171 HydrophobicContact CE2-CE1 3.88Å; F27-F171 AromaticContact CE2-CE2 3.9Å; F27-F171 HydrophobicContact CE2-CE2 3.9Å; F27-F171 AromaticContact CE2-CZ 3.66Å; F27-F171 HydrophobicContact CE2-CZ 3.66Å; F27-F171 HydrophobicContact CG-CD1 4.27Å; F27-F171 AromaticContact CG-CE1 3.88Å; F27-F171 HydrophobicContact CG-CE1 3.88Å; F27-F171 HydrophobicContact CG-CZ 4.43Å; F27-F171 HydrophobicContact CZ-CZ 4.38Å; L47-F171 HydrophobicContact CD1-CD1 4.42Å; L47-F171 HydrophobicContact CD1-CE1 3.79Å; I96-F171 HydrophobicContact CD1-CE2 3.72Å; I96-F171 HydrophobicContact CD1-CZ 3.86Å; I96-F171 HydrophobicContact CG1-CE2 3.72Å; I96-F171 HydrophobicContact CG1-CZ 3.67Å; I96-F171 HydrophobicContact CG2-CE2 4.44Å; L107-F171 HydrophobicContact CD1-CE1 4.05Å; L107-F171 HydrophobicContact CD1-CZ 3.78Å; L107-F171 HydrophobicContact CD2-CE1 4.44Å; L107-F171 HydrophobicContact CD2-CZ 4.25Å; L163-F171 HydrophobicContact CD1-CD2 4.38Å; L163-F171 HydrophobicContact CD1-CE2 3.81Å
172	A	96.6	Very high	85.6	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159	177.2	0	0	0	0	0	112.6	L3 I4 L26 V28 F170	L3-A172 HydrophobicContact CB-CB 3.99Å; L3-A172 HydrophobicContact CD2-CB 4.23Å; L3-A172 HydrophobicContact CG-CB 4.48Å; I4-A172 CarbonylContact O-C 3.59Å; I4-A172 WeakPolarHBondContact O-CA 3.42Å; I4-A172 VanDerWaalsContact O-CB 3.31Å; I4-A172 WeakPolarHBondContact O-CB 3.47Å; L26-A172 WeakPolarHBondContact CA-O 3.32Å; L26-A172 HydrophobicContact CB-CB 4.48Å; L26-A172 WeakPolarHBondContact CB-O 3.15Å; L26-A172 PolarHBondContact N-O 3.15Å; L26-A172 PolarHBondContact O-N 2.91Å; V28-A172 HydrophobicContact CG2-CB 4.41Å; F170-A172 HydrophobicContact CD2-CB 4.33Å; F170-A172 HydrophobicContact CE2-CB 4.26Å
173	D	92.7	Very high	85.1	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.294	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.2	158.8	-83.9	-52.3	0	0	0	110.7	L3 I4 L6 K25	L3-D173 WeakPolarHBondContact CA-O 3.28Å; I4-D173 PolarHBondContact N-O 3.28Å; I4-D173 PolarHBondContact O-N 2.92Å; L6-D173 WeakPolarHBondContact CD2-OD2 3.4Å; K25-D173 WeakPolarHBondContact CD-OD1 3.44Å; K25-D173 WeakPolarHBondContact CE-OD1 3.44Å; K25-D173 IonicContact NZ-OD1 3.61Å; K25-D173 PolarHBondContact NZ-OD1 3.13Å; K25-D173 IonicContact NZ-OD2 3.86Å; K25-D173 PolarHBondContact NZ-OD2 2.94Å
174	E	86.9	Confident	84.6	Confident	37 Å²	37	72.7 Å²	72.7	17%	0.173	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.5	169.9	-173.6	167.6	-161.2	0	0	109.4	M1 L26 R46 K176	M1-E174 WeakPolarHBondContact CE-OE1 3.46Å; M1-E174 HydrophobicContact CG-CB 4.47Å; M1-E174 HydrophobicContact CG-CG 3.59Å; M1-E174 WeakPolarHBondContact CG-OE1 2.91Å; M1-E174 HydrophobicContact SD-CB 4.06Å; M1-E174 HydrophobicContact SD-CG 3.63Å; L26-E174 HydrophobicContact CD1-CB 3.94Å; R46-E174 IonicContact NH2-OE2 3.79Å; E174-K176 VanDerWaalsContact CD-CD 3.47Å; E174-K176 HydrophobicContact CG-CD 3.94Å; E174-K176 HydrophobicContact CG-CG 3.95Å; E174-K176 PolarHBondContact O-N 3.29Å; E174-K176 WeakPolarHBondContact OE1-CE 3.11Å; E174-K176 IonicContact OE1-NZ 2.74Å; E174-K176 PolarHBondContact OE1-NZ 3.02Å; E174-K176 WeakPolarHBondContact OE2-CD 3.45Å; E174-K176 WeakPolarHBondContact OE2-CE 3.37Å; E174-K176 IonicContact OE2-NZ 2.8Å; E174-K176 PolarHBondContact OE2-NZ 3.35Å
175	V	80.2	Confident	84.2	Confident	58 Å²	58	75 Å²	75	35%	0.352	42%	0.423	S	S	.	.			trans	-73.4	92.9	173.6	-174.4	0	0	0	0	108.7	E2 I4	E2-V175 HydrophobicContact CB-CB 4.04Å; E2-V175 HydrophobicContact CB-CG2 4.26Å; E2-V175 HydrophobicContact CG-CB 3.99Å; E2-V175 HydrophobicContact CG-CG2 3.81Å; E2-V175 PolarHBondContact O-N 3.14Å; I4-V175 HydrophobicContact CD1-CG2 3.61Å; I4-V175 HydrophobicContact CG1-CG2 3.54Å
176	K	75.7	Confident	84.1	Confident	109 Å²	109	67.8 Å²	67.8	47%	0.474	40%	0.4	S	S	.	.			trans	-134.9	126.3	172.7	-86.7	176.2	176.8	157.9	0	110.1	E174 G178 V179	E174-K176 VanDerWaalsContact CD-CD 3.47Å; E174-K176 HydrophobicContact CG-CD 3.94Å; E174-K176 HydrophobicContact CG-CG 3.95Å; E174-K176 PolarHBondContact O-N 3.29Å; E174-K176 WeakPolarHBondContact OE1-CE 3.11Å; E174-K176 IonicContact OE1-NZ 2.74Å; E174-K176 PolarHBondContact OE1-NZ 3.02Å; E174-K176 WeakPolarHBondContact OE2-CD 3.45Å; E174-K176 WeakPolarHBondContact OE2-CE 3.37Å; E174-K176 IonicContact OE2-NZ 2.8Å; E174-K176 PolarHBondContact OE2-NZ 3.35Å; K176-G178 PolarHBondContact O-N 2.94Å; K176-V179 HydrophobicContact CB-CB 4.22Å; K176-V179 HydrophobicContact CB-CG2 3.43Å; K176-V179 VanDerWaalsContact CB-CG2 3.43Å; K176-V179 HydrophobicContact CD-CG2 3.92Å; K176-V179 HydrophobicContact CG-CG2 4.34Å; K176-V179 PolarHBondContact O-N 3.09Å
177	V	57.2	Low	84.1	Confident	160 Å²	160	68.1 Å²	68.1	97%	0.97	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.3	171.9	-178.6	0	0	0	0	108.8
178	G	54.9	Low	84.1	Confident	72 Å²	72	63.2 Å²	63.2	74%	0.742	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	4.3	175.1	0	0	0	0	0	116.4	K176 Q180	K176-G178 PolarHBondContact O-N 2.94Å; G178-Q180 PolarHBondContact O-N 3.23Å
179	V	59.1	Low	84.1	Confident	95 Å²	95	64.5 Å²	64.5	58%	0.576	38%	0.375	S	S	*	.			trans	-75.3	108.2	168.4	174.6	0	0	0	0	108.5	K176	K176-V179 HydrophobicContact CB-CB 4.22Å; K176-V179 HydrophobicContact CB-CG2 3.43Å; K176-V179 VanDerWaalsContact CB-CG2 3.43Å; K176-V179 HydrophobicContact CD-CG2 3.92Å; K176-V179 HydrophobicContact CG-CG2 4.34Å; K176-V179 PolarHBondContact O-N 3.09Å
180	Q	60.7	Low	84	Confident	176 Å²	176	64.5 Å²	64.5	82%	0.822	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-79	154.9	171.5	-69.6	-179.3	-24.4	0	0	110	G178	G178-Q180 PolarHBondContact O-N 3.23Å
181	A	75.1	Confident	83.9	Confident	87 Å²	87	65 Å²	65	72%	0.719	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-51.1	152.6	165.8	0	0	0	0	0	110	D183	A181-D183 PolarHBondContact O-N 2.74Å; A181-D183 VanDerWaalsContact O-N 3.14Å
182	V	83.1	Confident	83.9	Confident	48 Å²	48	65.6 Å²	65.6	29%	0.291	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-54	124	174.4	169.8	0	0	0	0	108.8	L23 E184 T186 I187 L210	L23-V182 VanDerWaalsContact O-CG2 3.25Å; L23-V182 WeakPolarHBondContact O-CG2 3.21Å; V182-E184 PolarHBondContact O-N 2.98Å; V182-T186 WeakPolarHBondContact CG1-OG1 2.96Å; V182-I187 HydrophobicContact CG1-CD1 4.09Å; V182-I187 HydrophobicContact CG1-CG1 3.83Å; V182-L210 HydrophobicContact CB-CD2 4.43Å; V182-L210 HydrophobicContact CG1-CD2 3.42Å; V182-L210 VanDerWaalsContact CG1-CD2 3.42Å; V182-L210 HydrophobicContact CG2-CD2 4.13Å
183	D	87.6	Confident	83.9	Confident	96 Å²	96	68.1 Å²	68.1	51%	0.513	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-62.6	123.8	173	174.2	6.3	0	0	0	109	A181 S185 T186	A181-D183 PolarHBondContact O-N 2.74Å; A181-D183 VanDerWaalsContact O-N 3.14Å; D183-S185 PolarHBondContact O-N 3.45Å; D183-S185 VanDerWaalsContact O-N 3.08Å; D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.47Å; D183-S185 PolarHBondContact OD1-OG 3.08Å; D183-S185 PolarHBondContact OD2-OG 3.04Å; D183-T186 HydrophobicContact CB-CG2 4.15Å; D183-T186 WeakPolarHBondContact O-CB 3.42Å; D183-T186 PolarHBondContact O-N 3.16Å; D183-T186 PolarHBondContact O-OG1 3.06Å
184	E	87.6	Confident	84	Confident	120 Å²	120	68.3 Å²	68.3	56%	0.561	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.1	-179.6	-169.4	169.2	-165.7	0	0	112.2	K20 V182 T186 I187	K20-E184 IonicContact NZ-OE1 3.35Å; K20-E184 PolarHBondContact NZ-OE1 2.67Å; V182-E184 PolarHBondContact O-N 2.98Å; E184-T186 PolarHBondContact O-N 2.92Å; E184-I187 WeakPolarHBondContact O-CB 3.25Å; E184-I187 PolarHBondContact O-N 3.36Å
185	S	89.3	Confident	84.4	Confident	76 Å²	76	66.8 Å²	66.8	53%	0.531	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-61.7	-23.5	174.6	87.3	0	0	0	0	113.5	D183	D183-S185 PolarHBondContact O-N 3.45Å; D183-S185 VanDerWaalsContact O-N 3.08Å; D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.47Å; D183-S185 PolarHBondContact OD1-OG 3.08Å; D183-S185 PolarHBondContact OD2-OG 3.04Å
186	T	93.6	Very high	85.1	Confident	45 Å²	45	68.2 Å²	68.2	28%	0.276	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-87.5	-9.6	177.6	72.5	0	0	0	0	112.8	V182 D183 E184 R211	V182-T186 WeakPolarHBondContact CG1-OG1 2.96Å; D183-T186 HydrophobicContact CB-CG2 4.15Å; D183-T186 WeakPolarHBondContact O-CB 3.42Å; D183-T186 PolarHBondContact O-N 3.16Å; D183-T186 PolarHBondContact O-OG1 3.06Å; E184-T186 PolarHBondContact O-N 2.92Å; T186-R211 WeakPolarHBondContact O-CB 3.37Å; T186-R211 PolarHBondContact O-N 2.87Å
187	I	96.4	Very high	86.1	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.108	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122	179.6	-58.2	176.8	0	0	0	109.3	K20 L23 V182 E184 F208	K20-I187 HydrophobicContact CB-CD1 4.1Å; K20-I187 HydrophobicContact CG-CD1 4.45Å; L23-I187 HydrophobicContact CD1-CB 4.4Å; L23-I187 HydrophobicContact CD1-CD1 4Å; L23-I187 HydrophobicContact CD1-CG1 3.88Å; L23-I187 HydrophobicContact CD1-CG2 3.75Å; V182-I187 HydrophobicContact CG1-CD1 4.09Å; V182-I187 HydrophobicContact CG1-CG1 3.83Å; E184-I187 WeakPolarHBondContact O-CB 3.25Å; E184-I187 PolarHBondContact O-N 3.36Å; I187-F208 HydrophobicContact CG2-CB 3.96Å; I187-F208 HydrophobicContact CG2-CD1 4.34Å
188	V	96.9	Very high	88	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.024	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.9	169.3	-177.1	0	0	0	0	109.1	F208 Y209 R211	V188-F208 WeakPolarHBondContact O-CA 3.21Å; V188-Y209 HydrophobicContact CB-CD1 4.15Å; V188-Y209 HydrophobicContact CB-CD2 3.93Å; V188-Y209 HydrophobicContact CB-CE1 3.79Å; V188-Y209 HydrophobicContact CB-CE2 3.54Å; V188-Y209 HydrophobicContact CB-CG 4.22Å; V188-Y209 VanDerWaalsContact CB-CZ 3.48Å; V188-Y209 HydrophobicContact CG1-CD1 4.43Å; V188-Y209 HydrophobicContact CG1-CE1 3.65Å; V188-Y209 HydrophobicContact CG1-CE2 3.99Å; V188-Y209 WeakPolarHBondContact CG1-OH 3.3Å; V188-Y209 HydrophobicContact CG2-CD2 4.15Å; V188-Y209 HydrophobicContact CG2-CE2 3.61Å; V188-Y209 PolarHBondContact N-O 2.78Å; V188-Y209 PolarHBondContact O-N 3.36Å; V188-R211 HydrophobicContact CG2-CB 3.82Å; V188-R211 HydrophobicContact CG2-CG 4.15Å
189	Q	97.1	Very high	89.9	Confident	81 Å²	81	64.9 Å²	64.9	38%	0.379	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.4	175.3	-162.5	-177.3	-14.7	0	0	110.3	P205 R207 F208	Q189-P205 HydrophobicContact CG-CB 3.92Å; Q189-P205 WeakPolarHBondContact CG-O 3.37Å; Q189-P205 PolarHBondContact NE2-O 2.82Å; Q189-R207 WeakPolarHBondContact CA-O 3.34Å; Q189-F208 HydrophobicContact CB-CD1 4.33Å; Q189-F208 HydrophobicContact CB-CE1 4.47Å; Q189-F208 HydrophobicContact CG-CD1 3.77Å; Q189-F208 HydrophobicContact CG-CE1 3.49Å; Q189-F208 VanDerWaalsContact CG-CE1 3.49Å; Q189-F208 HydrophobicContact CG-CZ 4.44Å
190	C	96.7	Very high	91.7	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.007	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	174.6	-175.9	82.5	0	0	0	0	113.1	P205 L206 R207	C190-P205 CarbonylContact O-C 3.42Å; C190-P205 VanDerWaalsContact O-C 3.27Å; C190-P205 VanDerWaalsContact O-CA 3.28Å; C190-P205 WeakPolarHBondContact O-CA 3.25Å; C190-L206 PolarHBondContact O-N 2.65Å; C190-R207 PolarHBondContact N-O 2.76Å; C190-R207 VanDerWaalsContact O-CB 3.27Å; C190-R207 WeakPolarHBondContact O-CB 3.34Å; C190-R207 PolarHBondContact O-N 3.16Å
191	P	97.3	Very high	93.5	Very high	23 Å²	23	57 Å²	57	15%	0.149	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-62.5	144.1	174.8	-27	37.1	0	0	0	114.1	S202 K204	P191-S202 WeakPolarHBondContact CB-O 3.22Å; P191-K204 WeakPolarHBondContact CA-O 3.29Å
192	R	97.9	Very high	94.5	Very high	13 Å²	13	54.9 Å²	54.9	5%	0.049	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.1	156.9	177.6	-61.5	175.5	-74.7	-177.1	1.9	112.6	E51 A52 Y53 D58 A60 I195 W201 L206 R207	E51-R192 HydrophobicContact CB-CG 4.03Å; E51-R192 HydrophobicContact CG-CB 4.17Å; E51-R192 HydrophobicContact CG-CG 3.74Å; E51-R192 WeakPolarHBondContact OE1-CA 3.37Å; E51-R192 WeakPolarHBondContact OE1-CB 3.19Å; A52-R192 WeakPolarHBondContact O-CD 3.2Å; A52-R192 PolarHBondContact O-NH1 2.77Å; Y53-R192 VanDerWaalsContact CD1-NH1 3.25Å; D58-R192 IonicContact OD1-CZ 3.59Å; D58-R192 IonicContact OD1-NH1 3.42Å; D58-R192 PolarHBondContact OD1-NH1 2.9Å; D58-R192 IonicContact OD1-NH2 3.46Å; D58-R192 PolarHBondContact OD1-NH2 3.07Å; D58-R192 IonicContact OD2-CZ 2.67Å; D58-R192 IonicContact OD2-NH1 2.83Å; D58-R192 PolarHBondContact OD2-NH1 3.48Å; D58-R192 IonicContact OD2-NH2 3.58Å; D58-R192 PolarHBondContact OD2-NH2 2.81Å; A60-R192 VanDerWaalsContact CB-NH2 3.34Å; R192-I195 HydrophobicContact CB-CD1 3.66Å; R192-I195 HydrophobicContact CB-CG1 3.9Å; R192-I195 HydrophobicContact CG-CD1 4.4Å; R192-W201 PolarHBondContact NH2-O 2.83Å; R192-L206 HydrophobicContact CG-CB 3.97Å; R192-L206 WeakPolarHBondContact CG-O 3.26Å; R192-R207 HydrophobicContact CG-CB 4.11Å
193	I	96.3	Very high	95.1	Very high	54 Å²	54	56.4 Å²	56.4	28%	0.277	32%	0.321	S	S	.	.	S	Bend	trans	-92.5	136.2	-179.1	-59.9	-174.1	0	0	0	110.7	E51	E51-I193 PolarHBondContact OE1-N 3.17Å
194	G	94.6	Very high	95.6	Very high	59 Å²	59	55.6 Å²	55.6	61%	0.608	31%	0.312	S	S	*	.	S	Bend	trans	78.8	20.2	167.2	0	0	0	0	0	114.6
195	I	95.8	Very high	96.1	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	31%	0.305	C	S	.	.			trans	-116.7	28.5	-177.3	64.1	152.6	0	0	0	113.5	A60 R192 Y197 A198 W201 S202	A60-I195 HydrophobicContact CB-CB 3.99Å; A60-I195 HydrophobicContact CB-CD1 3.81Å; A60-I195 HydrophobicContact CB-CG2 3.95Å; R192-I195 HydrophobicContact CB-CD1 3.66Å; R192-I195 HydrophobicContact CB-CG1 3.9Å; R192-I195 HydrophobicContact CG-CD1 4.4Å; I195-Y197 HydrophobicContact CB-CE1 4.39Å; I195-Y197 HydrophobicContact CG2-CE1 4.46Å; I195-Y197 PolarHBondContact O-N 3.5Å; I195-Y197 VanDerWaalsContact O-N 3.1Å; I195-A198 HydrophobicContact CB-CB 4.35Å; I195-A198 HydrophobicContact CD1-CB 4.46Å; I195-A198 VanDerWaalsContact O-CB 3.23Å; I195-A198 WeakPolarHBondContact O-CB 3.4Å; I195-A198 PolarHBondContact O-N 2.91Å; I195-W201 WeakPolarHBondContact CD1-O 3.22Å; I195-S202 WeakPolarHBondContact O-CB 3.31Å
196	A	94.8	Very high	96.5	Very high	87 Å²	87	49.7 Å²	49.7	72%	0.719	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.6	-178.9	0	0	0	0	0	113.1	A198	A196-A198 PolarHBondContact O-N 3.42Å
197	Y	96.1	Very high	96.8	Very high	144 Å²	144	47.8 Å²	47.8	57%	0.565	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-64	-17.2	175.2	65.3	-96.1	0	0	0	113.8	A60 I195 Q199	A60-Y197 PolarHBondContact O-OH 3.42Å; I195-Y197 HydrophobicContact CB-CE1 4.39Å; I195-Y197 HydrophobicContact CG2-CE1 4.46Å; I195-Y197 PolarHBondContact O-N 3.5Å; I195-Y197 VanDerWaalsContact O-N 3.1Å; Y197-Q199 PolarHBondContact O-N 3.21Å
198	A	96.5	Very high	96.9	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-83.5	8.4	-175.8	0	0	0	0	0	113.9	K59 A60 I195 A196 E200 W201	K59-A198 HydrophobicContact CB-CB 4.15Å; A60-A198 HydrophobicContact CB-CB 3.6Å; I195-A198 HydrophobicContact CB-CB 4.35Å; I195-A198 HydrophobicContact CD1-CB 4.46Å; I195-A198 VanDerWaalsContact O-CB 3.23Å; I195-A198 WeakPolarHBondContact O-CB 3.4Å; I195-A198 PolarHBondContact O-N 2.91Å; A196-A198 PolarHBondContact O-N 3.42Å; A198-E200 PolarHBondContact O-N 3.01Å; A198-W201 HydrophobicContact CB-CB 3.92Å; A198-W201 WeakPolarHBondContact O-CB 3.4Å; A198-W201 PolarHBondContact O-N 3.02Å
199	Q	96.2	Very high	96.9	Very high	125 Å²	125	47 Å²	47	58%	0.584	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	55.3	-123.5	174.2	-59.4	171.8	0.4	0	0	111.9	Y197 W201 S202	Y197-Q199 PolarHBondContact O-N 3.21Å; Q199-W201 PolarHBondContact O-N 2.63Å; Q199-W201 VanDerWaalsContact O-N 3.12Å; Q199-S202 WeakPolarHBondContact O-CB 3.24Å; Q199-S202 PolarHBondContact O-N 2.91Å; Q199-S202 PolarHBondContact O-OG 3.28Å
200	E	96.8	Very high	96.9	Very high	91 Å²	91	43.8 Å²	43.8	43%	0.425	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61	-21.7	-179.7	75.3	-76.6	-177	0	0	113.3	K59 A198 S202 S203	K59-E200 WeakPolarHBondContact CD-OE1 3.36Å; K59-E200 WeakPolarHBondContact CE-OE1 3.25Å; K59-E200 IonicContact NZ-OE1 2.7Å; K59-E200 PolarHBondContact NZ-OE1 2.91Å; K59-E200 IonicContact NZ-OE2 2.76Å; K59-E200 PolarHBondContact NZ-OE2 3.12Å; A198-E200 PolarHBondContact O-N 3.01Å; E200-S202 PolarHBondContact O-N 3.5Å; E200-S203 PolarHBondContact O-N 3.43Å; E200-S203 PolarHBondContact O-OG 3.47Å
201	W	97.7	Very high	96.8	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.057	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-76	-14.1	174.4	-72.5	75.2	0	0	0	113.3	L54 E57 D58 K59 R192 I195 A198 Q199 S203 K204 L206	L54-W201 HydrophobicContact CB-CZ3 4.42Å; L54-W201 HydrophobicContact CD1-CH2 4.31Å; L54-W201 HydrophobicContact CD1-CZ3 3.97Å; L54-W201 HydrophobicContact CG-CZ3 4.32Å; E57-W201 VanDerWaalsContact C-CZ2 3.44Å; E57-W201 HydrophobicContact CB-CH2 4.08Å; E57-W201 HydrophobicContact CB-CZ2 3.99Å; E57-W201 HydrophobicContact CG-CH2 3.68Å; E57-W201 HydrophobicContact CG-CZ2 4.13Å; E57-W201 WeakPolarHBondContact O-CZ2 3.31Å; D58-W201 VanDerWaalsContact CA-CZ3 3.47Å; D58-W201 HydrophobicContact CB-CD2 4.42Å; D58-W201 HydrophobicContact CB-CE3 3.74Å; D58-W201 HydrophobicContact CB-CH2 4.01Å; D58-W201 HydrophobicContact CB-CZ3 3.51Å; K59-W201 HydrophobicContact CB-CB 4.09Å; K59-W201 HydrophobicContact CB-CG 3.79Å; K59-W201 VanDerWaalsContact CG-CD1 3.46Å; K59-W201 HydrophobicContact CG-CG 4.21Å; R192-W201 PolarHBondContact NH2-O 2.83Å; I195-W201 WeakPolarHBondContact CD1-O 3.22Å; A198-W201 HydrophobicContact CB-CB 3.92Å; A198-W201 WeakPolarHBondContact O-CB 3.4Å; A198-W201 PolarHBondContact O-N 3.02Å; Q199-W201 PolarHBondContact O-N 2.63Å; Q199-W201 VanDerWaalsContact O-N 3.12Å; W201-S203 VanDerWaalsContact C-N 3.27Å; W201-S203 PolarHBondContact O-N 3.1Å; W201-K204 HydrophobicContact CD2-CD 3.62Å; W201-K204 HydrophobicContact CE3-CD 3.32Å; W201-K204 HydrophobicContact CG-CD 4.18Å; W201-K204 HydrophobicContact CH2-CD 4.16Å; W201-K204 HydrophobicContact CZ2-CD 4.41Å; W201-K204 HydrophobicContact CZ3-CD 3.62Å; W201-L206 HydrophobicContact CE3-CD1 4.21Å; W201-L206 HydrophobicContact CZ3-CD1 4.11Å
202	S	96.3	Very high	96.5	Very high	43 Å²	43	52.5 Å²	52.5	30%	0.301	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-72.1	-19.2	175.4	74.5	0	0	0	0	113.3	P191 I195 Q199 E200	P191-S202 WeakPolarHBondContact CB-O 3.22Å; I195-S202 WeakPolarHBondContact O-CB 3.31Å; Q199-S202 WeakPolarHBondContact O-CB 3.24Å; Q199-S202 PolarHBondContact O-N 2.91Å; Q199-S202 PolarHBondContact O-OG 3.28Å; E200-S202 PolarHBondContact O-N 3.5Å
203	S	96.7	Very high	96.3	Very high	80 Å²	80	53.3 Å²	53.3	56%	0.559	29%	0.291	S	S	*	.	S	Bend	trans	-98.7	-11.6	176.9	63.6	0	0	0	0	113.6	E200 W201	E200-S203 PolarHBondContact O-N 3.43Å; E200-S203 PolarHBondContact O-OG 3.47Å; W201-S203 VanDerWaalsContact C-N 3.27Å; W201-S203 PolarHBondContact O-N 3.1Å
204	K	97.7	Very high	96.3	Very high	78 Å²	78	56 Å²	56	34%	0.339	31%	0.305	S	S	.	.	S	Bend	trans	-63.4	136.8	179.1	-77.4	178.6	-179.6	-92.4	0	111.1	P191 W201 L206	P191-K204 WeakPolarHBondContact CA-O 3.29Å; W201-K204 HydrophobicContact CD2-CD 3.62Å; W201-K204 HydrophobicContact CE3-CD 3.32Å; W201-K204 HydrophobicContact CG-CD 4.18Å; W201-K204 HydrophobicContact CH2-CD 4.16Å; W201-K204 HydrophobicContact CZ2-CD 4.41Å; W201-K204 HydrophobicContact CZ3-CD 3.62Å; K204-L206 HydrophobicContact CB-CD1 3.99Å; K204-L206 HydrophobicContact CB-CG 4.11Å; K204-L206 HydrophobicContact CD-CD1 4.32Å; K204-L206 PolarHBondContact O-N 3.3Å
205	P	97.6	Very high	96.4	Very high	61 Å²	61	53.9 Å²	53.9	40%	0.396	28%	0.279	S	S	.	.			trans	-83	66.5	-173.1	38	-39.3	0	0	0	110.7	Q189 C190	Q189-P205 HydrophobicContact CG-CB 3.92Å; Q189-P205 WeakPolarHBondContact CG-O 3.37Å; Q189-P205 PolarHBondContact NE2-O 2.82Å; C190-P205 CarbonylContact O-C 3.42Å; C190-P205 VanDerWaalsContact O-C 3.27Å; C190-P205 VanDerWaalsContact O-CA 3.28Å; C190-P205 WeakPolarHBondContact O-CA 3.25Å
206	L	98.4	Very high	96.5	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	28%	0.279	C	S	.	.			trans	-107.9	21.1	-173.6	-66.3	171.6	0	0	0	113.4	V16 E51 A52 L54 C190 R192 W201 K204	V16-L206 HydrophobicContact CG2-CD2 3.9Å; E51-L206 CarbonylContact C-O 3.49Å; E51-L206 VanDerWaalsContact CA-O 3.3Å; E51-L206 WeakPolarHBondContact CA-O 3.39Å; A52-L206 HydrophobicContact CB-CD2 4.37Å; A52-L206 PolarHBondContact N-O 3.46Å; L54-L206 HydrophobicContact CD1-CD1 4.01Å; L54-L206 HydrophobicContact CD1-CD2 4.06Å; L54-L206 HydrophobicContact CD2-CD2 4.17Å; L54-L206 HydrophobicContact CG-CD1 4.04Å; L54-L206 HydrophobicContact CG-CD2 4.28Å; C190-L206 PolarHBondContact O-N 2.65Å; R192-L206 HydrophobicContact CG-CB 3.97Å; R192-L206 WeakPolarHBondContact CG-O 3.26Å; W201-L206 HydrophobicContact CE3-CD1 4.21Å; W201-L206 HydrophobicContact CZ3-CD1 4.11Å; K204-L206 HydrophobicContact CB-CD1 3.99Å; K204-L206 HydrophobicContact CB-CG 4.11Å; K204-L206 HydrophobicContact CD-CD1 4.32Å; K204-L206 PolarHBondContact O-N 3.3Å
207	R	98.5	Very high	96.4	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.6	170.8	-178.5	177.5	171.4	-140	-7.7	109.1	E49 T50 E51 Q189 C190 R192 T218	E49-R207 IonicContact OE1-CZ 2.8Å; E49-R207 IonicContact OE1-NE 2.67Å; E49-R207 PolarHBondContact OE1-NE 3.06Å; E49-R207 IonicContact OE1-NH2 3.99Å; E49-R207 PolarHBondContact OE1-NH2 3.04Å; E49-R207 IonicContact OE2-NH2 2.84Å; T50-R207 WeakPolarHBondContact O-CA 3.27Å; E51-R207 HydrophobicContact CG-CB 3.75Å; E51-R207 HydrophobicContact CG-CG 3.69Å; E51-R207 WeakPolarHBondContact OE1-CD 3.43Å; Q189-R207 WeakPolarHBondContact CA-O 3.34Å; C190-R207 PolarHBondContact N-O 2.76Å; C190-R207 VanDerWaalsContact O-CB 3.27Å; C190-R207 WeakPolarHBondContact O-CB 3.34Å; C190-R207 PolarHBondContact O-N 3.16Å; R192-R207 HydrophobicContact CG-CB 4.11Å; R207-T218 PolarHBondContact NH1-O 2.77Å; R207-T218 PolarHBondContact NH2-O 3.18Å
208	F	98.3	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136	-176.7	-45.9	-86.8	0	0	0	109.1	V16 A19 K20 L23 E49 T50 A52 I187 V188 Q189	V16-F208 HydrophobicContact CB-CZ 4.37Å; V16-F208 HydrophobicContact CG1-CE1 4Å; V16-F208 HydrophobicContact CG1-CE2 4.49Å; V16-F208 HydrophobicContact CG1-CZ 3.61Å; V16-F208 HydrophobicContact CG2-CZ 4.37Å; A19-F208 HydrophobicContact CB-CD2 3.6Å; A19-F208 HydrophobicContact CB-CE2 3.63Å; K20-F208 HydrophobicContact CD-CD1 4.34Å; K20-F208 HydrophobicContact CD-CE1 4.31Å; K20-F208 HydrophobicContact CG-CD1 3.56Å; K20-F208 HydrophobicContact CG-CE1 3.85Å; K20-F208 HydrophobicContact CG-CG 3.97Å; L23-F208 HydrophobicContact CD1-CB 3.93Å; E49-F208 CarbonylContact C-O 3.57Å; E49-F208 VanDerWaalsContact CA-O 3.31Å; E49-F208 WeakPolarHBondContact CA-O 3.42Å; T50-F208 PolarHBondContact N-O 2.93Å; T50-F208 PolarHBondContact O-N 3.39Å; A52-F208 HydrophobicContact CB-CE2 3.89Å; I187-F208 HydrophobicContact CG2-CB 3.96Å; I187-F208 HydrophobicContact CG2-CD1 4.34Å; V188-F208 WeakPolarHBondContact O-CA 3.21Å; Q189-F208 HydrophobicContact CB-CD1 4.33Å; Q189-F208 HydrophobicContact CB-CE1 4.47Å; Q189-F208 HydrophobicContact CG-CD1 3.77Å; Q189-F208 HydrophobicContact CG-CE1 3.49Å; Q189-F208 VanDerWaalsContact CG-CE1 3.49Å; Q189-F208 HydrophobicContact CG-CZ 4.44Å
209	Y	98.1	Very high	94.9	Very high	8 Å²	8	52.3 Å²	52.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.7	173.7	64.1	-95.2	0	0	0	112.8	V48 V188 R211 V216 F219	V48-Y209 CarbonylContact O-C 3.55Å; V48-Y209 WeakPolarHBondContact O-CA 3.44Å; V48-Y209 VanDerWaalsContact O-CB 3.28Å; V48-Y209 WeakPolarHBondContact O-CB 3.37Å; V188-Y209 HydrophobicContact CB-CD1 4.15Å; V188-Y209 HydrophobicContact CB-CD2 3.93Å; V188-Y209 HydrophobicContact CB-CE1 3.79Å; V188-Y209 HydrophobicContact CB-CE2 3.54Å; V188-Y209 HydrophobicContact CB-CG 4.22Å; V188-Y209 VanDerWaalsContact CB-CZ 3.48Å; V188-Y209 HydrophobicContact CG1-CD1 4.43Å; V188-Y209 HydrophobicContact CG1-CE1 3.65Å; V188-Y209 HydrophobicContact CG1-CE2 3.99Å; V188-Y209 WeakPolarHBondContact CG1-OH 3.3Å; V188-Y209 HydrophobicContact CG2-CD2 4.15Å; V188-Y209 HydrophobicContact CG2-CE2 3.61Å; V188-Y209 PolarHBondContact N-O 2.78Å; V188-Y209 PolarHBondContact O-N 3.36Å; Y209-R211 PolarHBondContact O-N 3.38Å; Y209-V216 HydrophobicContact CD1-CG1 4.46Å; Y209-V216 HydrophobicContact CD2-CG1 3.95Å; Y209-V216 HydrophobicContact CD2-CG2 3.91Å; Y209-V216 HydrophobicContact CE2-CG1 4.48Å; Y209-V216 HydrophobicContact CG-CG1 3.93Å; Y209-V216 HydrophobicContact CG-CG2 4.21Å; Y209-F219 HydrophobicContact CE2-CD1 4.16Å; Y209-F219 HydrophobicContact CE2-CE1 4.43Å
210	L	96	Very high	93.3	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.7	176.1	-61.2	-178.2	0	0	0	110.7	L23 V48 V182 E212 N213	L23-L210 HydrophobicContact CB-CD2 3.96Å; L23-L210 HydrophobicContact CB-CG 4.37Å; L23-L210 HydrophobicContact CD1-CD2 4.25Å; V48-L210 HydrophobicContact CB-CD1 4.25Å; V48-L210 HydrophobicContact CB-CG 4.46Å; V48-L210 HydrophobicContact CG1-CD1 4.1Å; V48-L210 PolarHBondContact O-N 3.3Å; V182-L210 HydrophobicContact CB-CD2 4.43Å; V182-L210 HydrophobicContact CG1-CD2 3.42Å; V182-L210 VanDerWaalsContact CG1-CD2 3.42Å; V182-L210 HydrophobicContact CG2-CD2 4.13Å; L210-E212 PolarHBondContact O-N 2.8Å; L210-N213 HydrophobicContact CB-CB 3.79Å; L210-N213 VanDerWaalsContact O-CB 3.28Å; L210-N213 WeakPolarHBondContact O-CB 3.23Å; L210-N213 PolarHBondContact O-N 3.04Å
211	R	94.5	Very high	91.2	Very high	78 Å²	78	56.4 Å²	56.4	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	137	178.8	-174.2	178.4	-59.5	-79.5	-1.3	110.7	T186 V188 Y209 N213 Q223	T186-R211 WeakPolarHBondContact O-CB 3.37Å; T186-R211 PolarHBondContact O-N 2.87Å; V188-R211 HydrophobicContact CG2-CB 3.82Å; V188-R211 HydrophobicContact CG2-CG 4.15Å; Y209-R211 PolarHBondContact O-N 3.38Å; R211-N213 PolarHBondContact O-N 3.28Å; R211-Q223 PolarHBondContact NH1-O 2.97Å; R211-Q223 VanDerWaalsContact NH1-O 3.08Å
212	E	92	Very high	88.8	Confident	130 Å²	130	63 Å²	63	61%	0.607	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	6.1	177.1	-68.5	166.9	-165.1	0	0	115.9	L210 I214	L210-E212 PolarHBondContact O-N 2.8Å; E212-I214 PolarHBondContact O-N 2.83Å
213	N	94.1	Very high	86.5	Confident	30 Å²	30	64.7 Å²	64.7	16%	0.16	32%	0.322	C	S	.	.			trans	-74.3	116	-178.9	-171.9	-50.6	0	0	0	111	V48 L210 R211 F215 V216 F219	V48-N213 WeakPolarHBondContact CG1-ND2 2.97Å; L210-N213 HydrophobicContact CB-CB 3.79Å; L210-N213 VanDerWaalsContact O-CB 3.28Å; L210-N213 WeakPolarHBondContact O-CB 3.23Å; L210-N213 PolarHBondContact O-N 3.04Å; R211-N213 PolarHBondContact O-N 3.28Å; N213-F215 PolarHBondContact O-N 3.46Å; N213-F215 WeakPolarHBondContact OD1-CB 3.34Å; N213-F215 WeakPolarHBondContact OD1-CD2 3.36Å; N213-F215 PolarHBondContact OD1-N 3.31Å; N213-V216 HydrophobicContact CB-CG2 4.08Å; N213-V216 WeakPolarHBondContact O-CB 3.47Å; N213-V216 VanDerWaalsContact O-CG2 3.31Å; N213-V216 WeakPolarHBondContact O-CG2 3.04Å; N213-V216 PolarHBondContact O-N 3.28Å; N213-F219 WeakPolarHBondContact O-CZ 3.43Å
214	I	95.5	Very high	83.7	Confident	111 Å²	111	65.6 Å²	65.6	57%	0.569	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.9	-173.2	66.6	169.6	0	0	0	114.9	E212	E212-I214 PolarHBondContact O-N 2.83Å
215	F	97.3	Very high	80.6	Confident	14 Å²	14	67.1 Å²	67.1	6%	0.061	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.1	179.6	-64.4	-78.1	0	0	0	113.4	V48 A109 E111 L137 R138 N142 N213	V48-F215 HydrophobicContact CG2-CB 3.89Å; A109-F215 WeakPolarHBondContact CB-O 3.31Å; E111-F215 HydrophobicContact CB-CB 4.44Å; E111-F215 HydrophobicContact CB-CD1 4.42Å; E111-F215 HydrophobicContact CB-CD2 3.63Å; E111-F215 HydrophobicContact CB-CE2 3.91Å; E111-F215 HydrophobicContact CB-CG 3.91Å; E111-F215 HydrophobicContact CB-CZ 4.43Å; E111-F215 HydrophobicContact CG-CD2 3.81Å; E111-F215 HydrophobicContact CG-CE1 4.5Å; E111-F215 HydrophobicContact CG-CE2 3.53Å; E111-F215 HydrophobicContact CG-CG 4.42Å; E111-F215 HydrophobicContact CG-CZ 3.91Å; L137-F215 HydrophobicContact CD2-CE1 4.41Å; L137-F215 HydrophobicContact CD2-CZ 4.08Å; L137-F215 HydrophobicContact CG-CE1 3.94Å; L137-F215 HydrophobicContact CG-CZ 4.11Å; R138-F215 HydrophobicContact CB-CD1 4.34Å; R138-F215 HydrophobicContact CB-CE1 4.39Å; N142-F215 VanDerWaalsContact CB-O 3.28Å; N142-F215 WeakPolarHBondContact CB-O 3.38Å; N213-F215 PolarHBondContact O-N 3.46Å; N213-F215 WeakPolarHBondContact OD1-CB 3.34Å; N213-F215 WeakPolarHBondContact OD1-CD2 3.36Å; N213-F215 PolarHBondContact OD1-N 3.31Å
216	V	96.7	Very high	78	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.03	37%	0.365	C	S	.	.			trans	-59.6	137.3	175.6	175.1	0	0	0	0	110.3	V48 Y209 N213 T218 F219	V48-V216 HydrophobicContact CB-CG2 4.48Å; V48-V216 HydrophobicContact CG2-CG2 4.09Å; Y209-V216 HydrophobicContact CD1-CG1 4.46Å; Y209-V216 HydrophobicContact CD2-CG1 3.95Å; Y209-V216 HydrophobicContact CD2-CG2 3.91Å; Y209-V216 HydrophobicContact CE2-CG1 4.48Å; Y209-V216 HydrophobicContact CG-CG1 3.93Å; Y209-V216 HydrophobicContact CG-CG2 4.21Å; N213-V216 HydrophobicContact CB-CG2 4.08Å; N213-V216 WeakPolarHBondContact O-CB 3.47Å; N213-V216 VanDerWaalsContact O-CG2 3.31Å; N213-V216 WeakPolarHBondContact O-CG2 3.04Å; N213-V216 PolarHBondContact O-N 3.28Å; V216-T218 PolarHBondContact O-N 3.25Å; V216-F219 HydrophobicContact CB-CE1 4.06Å; V216-F219 HydrophobicContact CB-CZ 4.12Å; V216-F219 HydrophobicContact CG1-CE1 4.37Å; V216-F219 HydrophobicContact CG2-CE1 4.49Å
217	S	93.1	Very high	75	Confident	23 Å²	23	76.2 Å²	76.2	16%	0.161	40%	0.401	C	S	.	.	S	Bend	trans	-66	-37.5	-171.7	66.6	0	0	0	0	113.9	E49 N142	E49-S217 PolarHBondContact OE1-OG 2.97Å; E49-S217 WeakPolarHBondContact OE2-CB 3.38Å; E49-S217 PolarHBondContact OE2-N 2.81Å; E49-S217 PolarHBondContact OE2-OG 3.23Å; N142-S217 WeakPolarHBondContact O-CA 2.92Å; N142-S217 WeakPolarHBondContact O-CB 3.33Å
218	T	86.6	Confident	72.1	Confident	79 Å²	79	82 Å²	82	49%	0.485	43%	0.431	S	S	.	.			trans	-157	122.4	-178.9	-59.5	0	0	0	0	110.4	R207 V216	R207-T218 PolarHBondContact NH1-O 2.77Å; R207-T218 PolarHBondContact NH2-O 3.18Å; V216-T218 PolarHBondContact O-N 3.25Å
219	F	74.7	Confident	69	Low	98 Å²	98	91.6 Å²	91.6	43%	0.43	47%	0.473	S	S	.	.			trans	-82.9	139.8	172.1	-63	-76.9	0	0	0	111.2	Y209 N213 V216	Y209-F219 HydrophobicContact CE2-CD1 4.16Å; Y209-F219 HydrophobicContact CE2-CE1 4.43Å; N213-F219 WeakPolarHBondContact O-CZ 3.43Å; V216-F219 HydrophobicContact CB-CE1 4.06Å; V216-F219 HydrophobicContact CB-CZ 4.12Å; V216-F219 HydrophobicContact CG1-CE1 4.37Å; V216-F219 HydrophobicContact CG2-CE1 4.49Å
220	K	63.5	Low	65.8	Low	100 Å²	100	97.7 Å²	97.7	44%	0.435	51%	0.511	S	S	.	.			trans	-78.7	124.5	159.6	-81.5	-156.9	175.1	-166.1	0	108.4	N222	K220-N222 PolarHBondContact O-N 3.03Å
221	K	51.5	Low	62.5	Low	201 Å²	201	102 Å²	102	87%	0.874	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.7	-174	-74.1	-174.8	174.7	-177.7	0	115.9
222	N	47.3	Very low	59.7	Low	153 Å²	153	103.1 Å²	103.1	82%	0.818	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	32.2	-168	-67.9	-0.9	0	0	0	115.9	K220	K220-N222 PolarHBondContact O-N 3.03Å
223	Q	49.3	Very low	56.7	Low	79 Å²	79	103 Å²	103	37%	0.369	57%	0.565	S	S	.	*			trans	-124.1	21.5	178.2	-74.5	-171.2	-6.6	0	0	115.2	R211	R211-Q223 PolarHBondContact NH1-O 2.97Å; R211-Q223 VanDerWaalsContact NH1-O 3.08Å
224	S	37.1	Very low	53.9	Low	99 Å²	99	109.8 Å²	109.8	69%	0.692	59%	0.59	S	S	*	*			trans	-99.3	83.3	173	56.7	0	0	0	0	110.9
225	S	33.6	Very low	50.7	Low	111 Å²	111	113 Å²	113	78%	0.776	60%	0.6	S	S	*	*			trans	-154.1	66.1	166.2	64.3	0	0	0	0	111.1
226	L	41.9	Very low	47.6	Very low	137 Å²	137	118.8 Å²	118.8	72%	0.717	64%	0.636	S	S	*	*	S	Bend	trans	-130.1	136	154	-77.6	170.1	0	0	0	106.8	I228	L226-I228 PolarHBondContact O-N 3.08Å
227	P	35.1	Very low	44.5	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	67%	0.666	S	S	*	*			trans	-65.4	127.2	-178.4	25.7	-30.8	0	0	0	109.9	K229	P227-K229 PolarHBondContact O-N 2.97Å
228	I	37.8	Very low	41.6	Very low	126 Å²	126	131.6 Å²	131.6	65%	0.646	70%	0.695	S	S	*	*			trans	-63	114	176.9	-61.1	167.1	0	0	0	108.2	L226	L226-I228 PolarHBondContact O-N 3.08Å
229	K	34.3	Very low	39	Very low	203 Å²	203	134.8 Å²	134.8	88%	0.883	71%	0.714	S	S	*	*			trans	-85.4	109.6	154.7	-80	-171.5	178.4	-178.8	0	107.2	P227 S231	P227-K229 PolarHBondContact O-N 2.97Å; K229-S231 PolarHBondContact O-N 3.44Å; K229-S231 VanDerWaalsContact O-N 3.15Å
230	T	29.4	Very low	36.9	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	73%	0.729	S	S	*	*			trans	-67.1	104.5	-178	-12.4	0	0	0	0	110.4
231	S	28.4	Very low	35.2	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	75%	0.746	S	S	*	*			trans	-164	70.1	157.1	55.3	0	0	0	0	110.7	K229	K229-S231 PolarHBondContact O-N 3.44Å; K229-S231 VanDerWaalsContact O-N 3.15Å
232	V	34.6	Very low	34.3	Very low	102 Å²	102	137.9 Å²	137.9	62%	0.618	74%	0.741	S	S	*	*			trans	-126.2	94.3	158.8	-171.8	0	0	0	0	108	Y234	V232-Y234 HydrophobicContact CG1-CD2 3.41Å; V232-Y234 VanDerWaalsContact CG1-CD2 3.41Å; V232-Y234 HydrophobicContact CG1-CE2 3.32Å; V232-Y234 HydrophobicContact CG1-CG 4.34Å; V232-Y234 PolarHBondContact O-N 2.7Å
233	V	29	Very low	33.5	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	74%	0.739	S	S	*	*			trans	-80.2	92	167.6	-179.2	0	0	0	0	106.7	F235	V233-F235 HydrophobicContact CG1-CD2 4.17Å; V233-F235 PolarHBondContact O-N 2.76Å
234	Y	35.5	Very low	32.7	Very low	173 Å²	173	137.9 Å²	137.9	68%	0.678	75%	0.752	S	S	*	*			trans	-77.5	102.2	158.2	-83.6	-75.8	0	0	0	107.5	V232 V236	V232-Y234 HydrophobicContact CG1-CD2 3.41Å; V232-Y234 VanDerWaalsContact CG1-CD2 3.41Å; V232-Y234 HydrophobicContact CG1-CE2 3.32Å; V232-Y234 HydrophobicContact CG1-CG 4.34Å; V232-Y234 PolarHBondContact O-N 2.7Å; Y234-V236 PolarHBondContact O-N 3.28Å
235	F	27.9	Very low	32.4	Very low	179 Å²	179	142.1 Å²	142.1	79%	0.785	76%	0.761	S	S	*	*			trans	-70.2	99	173.6	-144.6	-91.8	0	0	0	108.7	V233 S237	V233-F235 HydrophobicContact CG1-CD2 4.17Å; V233-F235 PolarHBondContact O-N 2.76Å; F235-S237 VanDerWaalsContact C-N 3.28Å; F235-S237 PolarHBondContact O-N 3.33Å
236	V	31.6	Very low	32.5	Very low	136 Å²	136	146 Å²	146	82%	0.824	76%	0.764	S	S	*	*			trans	-74.5	85.4	167.6	-176.8	0	0	0	0	107.4	Y234 R238	Y234-V236 PolarHBondContact O-N 3.28Å; V236-R238 PolarHBondContact O-N 3.2Å
237	S	33.2	Very low	32	Very low	95 Å²	95	150.4 Å²	150.4	66%	0.664	77%	0.771	S	S	*	*			trans	-77	101.1	171.7	60	0	0	0	0	110.2	F235	F235-S237 VanDerWaalsContact C-N 3.28Å; F235-S237 PolarHBondContact O-N 3.33Å
238	R	31.5	Very low	31.9	Very low	202 Å²	202	153.1 Å²	153.1	76%	0.762	77%	0.773	S	S	*	*			trans	29.9	106.2	150.2	-73.9	178.4	170.3	175.3	-3.1	117.5	V236 R240	V236-R238 PolarHBondContact O-N 3.2Å; R238-R240 PolarHBondContact O-N 2.95Å
239	V	31.8	Very low	31.5	Very low	146 Å²	146	158.2 Å²	158.2	89%	0.885	78%	0.784	S	S	*	*			trans	-61.5	102.3	144.7	178.3	0	0	0	0	107.4
240	R	29.7	Very low	31.4	Very low	197 Å²	197	157.1 Å²	157.1	74%	0.743	78%	0.782	S	S	*	*			trans	-88.2	120.2	157.9	-89.9	-176.7	169.6	177.3	-3	107.1	R238 I242	R238-R240 PolarHBondContact O-N 2.95Å; R240-I242 PolarHBondContact O-N 2.99Å; R240-I242 VanDerWaalsContact O-N 3.13Å
241	C	27.9	Very low	31.7	Very low	118 Å²	118	158.5 Å²	158.5	80%	0.797	78%	0.783	S	S	*	*			trans	-46.7	115.9	162.2	-83.2	0	0	0	0	109.5
242	I	33.3	Very low	31.8	Very low	148 Å²	148	162.2 Å²	162.2	76%	0.759	79%	0.788	S	S	*	*			trans	-101.8	100.5	157.9	-68.6	170.3	0	0	0	105.4	R240 V244	R240-I242 PolarHBondContact O-N 2.99Å; R240-I242 VanDerWaalsContact O-N 3.13Å; I242-V244 HydrophobicContact CG2-CG2 4.15Å; I242-V244 PolarHBondContact O-N 3.45Å; I242-V244 VanDerWaalsContact O-N 3.13Å
243	T	30.4	Very low	31.8	Very low	127 Å²	127	165.1 Å²	165.1	78%	0.779	80%	0.795	S	S	*	*			trans	-65.9	101.2	164.6	-41.3	0	0	0	0	106.8	Q245	T243-Q245 PolarHBondContact O-N 3.34Å
244	V	33.4	Very low	31.9	Very low	106 Å²	106	170.3 Å²	170.3	64%	0.642	80%	0.801	S	S	*	*			trans	-73.5	113.1	169.3	176.5	0	0	0	0	107.5	I242 F246	I242-V244 HydrophobicContact CG2-CG2 4.15Å; I242-V244 PolarHBondContact O-N 3.45Å; I242-V244 VanDerWaalsContact O-N 3.13Å; V244-F246 HydrophobicContact CG1-CD2 4.05Å; V244-F246 HydrophobicContact CG1-CE2 4.49Å; V244-F246 PolarHBondContact O-N 3.28Å; V244-F246 VanDerWaalsContact O-N 3.11Å
245	Q	30.9	Very low	31.8	Very low	187 Å²	187	168.1 Å²	168.1	87%	0.874	81%	0.81	S	S	*	*			trans	-60.8	104.4	166.2	-77	172.3	-52	0	0	109.3	T243	T243-Q245 PolarHBondContact O-N 3.34Å
246	F	34.1	Very low	31.9	Very low	194 Å²	194	164.2 Å²	164.2	85%	0.851	81%	0.811	S	S	*	*			trans	-103.9	109.7	154.8	-109.1	-88.1	0	0	0	108.8	V244	V244-F246 HydrophobicContact CG1-CD2 4.05Å; V244-F246 HydrophobicContact CG1-CE2 4.49Å; V244-F246 PolarHBondContact O-N 3.28Å; V244-F246 VanDerWaalsContact O-N 3.11Å
247	R	32.1	Very low	32	Very low	228 Å²	228	167.7 Å²	167.7	86%	0.86	82%	0.815	S	S	*	*			trans	-63.5	123.5	162.4	-74.8	174.2	168.4	-171	-2.9	107.8
248	Q	32.6	Very low	32.1	Very low	183 Å²	183	168.5 Å²	168.5	86%	0.855	82%	0.82	S	S	*	*				-175	120.3	117.6	-135.6	120.5	-19.3	0	0	111.3
249	R	30.2	Very low	32.2	Very low	234 Å²	234	164.4 Å²	164.4	88%	0.883	82%	0.817	S	S	*	*			trans	0.3	144.2	155	-59.7	177.4	-178.5	-165.1	-1.6	120.2
250	Q	32.1	Very low	32.1	Very low	179 Å²	179	165.9 Å²	165.9	84%	0.836	81%	0.812	S	S	*	*			trans	92.9	103.1	157.9	-55.5	-155.2	-24.1	0	0	116.7
251	I	35.4	Very low	32.3	Very low	165 Å²	165	163.5 Å²	163.5	85%	0.846	81%	0.814	S	S	*	*				175.1	91.3	116.1	-80.3	151.1	0	0	0	105.8
252	E	31.1	Very low	32.7	Very low	180 Å²	180	168.5 Å²	168.5	84%	0.841	82%	0.818	S	S	*	*			trans	-81.1	153.8	157.1	-76.5	-179.6	157.9	0	0	108.5
253	Q	33.6	Very low	32.6	Very low	164 Å²	164	171.9 Å²	171.9	77%	0.766	83%	0.827	S	S	*	*			trans	81.3	97.1	171.1	-50	-177.4	-0.9	0	0	116.4
254	R	32.5	Very low	32.8	Very low	235 Å²	235	177.5 Å²	177.5	89%	0.887	83%	0.834	S	S	*	*				170.7	146	106.2	-91.5	168.3	173.4	-170.9	-2.9	112.4
255	C	32.3	Very low	33.1	Very low	127 Å²	127	178.7 Å²	178.7	86%	0.858	84%	0.842	S	S	*	*			trans	88	77.7	161.2	-66.7	0	0	0	0	118.6
256	A	30.5	Very low	33.2	Very low	98 Å²	98	179.9 Å²	179.9	81%	0.81	84%	0.839	S	S	*	*			trans	-67.6	122.1	140.2	0	0	0	0	0	110.5
257	K	33.4	Very low	33	Very low	208 Å²	208	179 Å²	179	90%	0.904	84%	0.842	S	S	*	*			trans	163.6	138.1	139.5	-95.7	172.6	177.7	177	0	111
258	S	34.9	Very low	33.5	Very low	112 Å²	112	174.9 Å²	174.9	78%	0.783	84%	0.836	S	S	*	*			trans	94.3	88.2	172.2	-146.9	0	0	0	0	115
259	V	33.4	Very low	33.8	Very low	116 Å²	116	173.4 Å²	173.4	70%	0.703	84%	0.839	S	S	*	*				86.9	115.9	65.7	175	0	0	0	0	113.2
260	K	30.7	Very low	34.3	Very low	177 Å²	177	168.4 Å²	168.4	77%	0.77	83%	0.829	S	S	*	*			trans	67	104.9	152	-72	168.9	-173.8	-179.8	0	119.6
261	N	34.7	Very low	34.7	Very low	148 Å²	148	169.9 Å²	169.9	79%	0.791	83%	0.829	S	S	*	*				157.5	150.7	114	-81.8	-27.2	0	0	0	110.3
262	Y	35.4	Very low	34.8	Very low	223 Å²	223	166.8 Å²	166.8	88%	0.875	82%	0.822	S	S	*	*			trans	101	66.4	-179.1	-71.6	-88.1	0	0	0	117
263	F	31.8	Very low	35.5	Very low	218 Å²	218	166.1 Å²	166.1	96%	0.956	82%	0.822	S	S	*	*			trans	-151	101	143.9	-102.7	-80.1	0	0	0	109.3
264	R	34.7	Very low	35.9	Very low	246 Å²	246	166.8 Å²	166.8	93%	0.928	82%	0.823	S	S	*	*			trans	-170.8	148.1	157.3	-125	175.2	175.3	170.3	-1.7	109.2
265	V	38	Very low	36.8	Very low	131 Å²	131	165.1 Å²	165.1	79%	0.794	85%	0.847	S	S	*	*	S	Bend	trans	99.8	109.8	179.9	177.3	0	0	0	0	111.7
266	Y	33.5	Very low	37	Very low	211 Å²	211	167.1 Å²	167.1	83%	0.827	85%	0.847	S	S	*	*			cis	-156.3	132.3	7.3	-115.6	-119.9	0	0	0	106.8
267	L	31.1	Very low	37.4	Very low	175 Å²	175	170.7 Å²	170.7	92%	0.916	85%	0.849	S	S	*	*			trans	-147.4	75	169.7	-154.8	136.7	0	0	0	109.7
268	I	41.5	Very low	37.6	Very low	143 Å²	143	168.6 Å²	168.6	73%	0.733	85%	0.845	S	S	*	*			trans	-148.8	106.3	166	-70.4	163.9	0	0	0	106.6
269	V	39.6	Very low	37.8	Very low	151 Å²	151	171.9 Å²	171.9	92%	0.915	85%	0.849	S	S	*	*				-145.2	112	129.4	178.4	0	0	0	0	105.8
270	L	39.6	Very low	38	Very low	129 Å²	129	175.4 Å²	175.4	68%	0.675	86%	0.858	S	S	*	*			trans	-86.4	158.8	177.5	-80.7	158.4	0	0	0	111.3
271	Y	41.2	Very low	38.5	Very low	211 Å²	211	175.3 Å²	175.3	83%	0.827	86%	0.864	S	S	*	*			trans	75.4	117.1	149.5	-81.5	-71.8	0	0	0	121.4
272	S	37.1	Very low	38.8	Very low	100 Å²	100	177.3 Å²	177.3	70%	0.699	87%	0.869	S	S	*	*				76.6	101.3	126.9	-151.9	0	0	0	0	120.3
273	I	46	Very low	39.1	Very low	165 Å²	165	173.8 Å²	173.8	85%	0.846	87%	0.869	S	S	*	*			trans	-135.8	95	148	-59.9	179.9	0	0	0	104.2
274	K	43.3	Very low	39.7	Very low	179 Å²	179	170.1 Å²	170.1	78%	0.778	86%	0.862	S	S	*	*				69.2	112.6	94.7	-79.1	-171.7	176.9	-178.2	0	114
275	S	50.5	Low	40.1	Very low	200 Å²	200	163.2 Å²	163.2	100%	1.399	86%	0.856	S	S	*	*			trans	71.1	0	158.9	-64.4	0	0	0	0	118.6

Retrieved 275 of 275 residues in 163.8 ms (Link to these results)

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