A0A087YB66_POEFO Loading...

Zinc finger and BTB domain containing 17

AlphaFold DB , UniProt , Accession A0A087YB66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 908 aa.

						>A0A087YB66_POEFO|A0A087YB66
MEFPWHSGEVLEQLNRQRKQGLLCDCTFVVDGVDFKAHKAVLAACSVYFRTLFLDQKDVVHLDISNAAGLGQVLDFMYTSKLCLNPNNIEDVLSVAHFLQMQEIINACSAYQSMSSQPPSIITLDLPDDQTGEKADGSEQKENQPSEVAAQAEEFPSVTPTEDLKNPQSEDVNGDTSADLQQTSSQPNPIRKHLGRGRPPKNSHVSAQKTVSVKEEEEGSMANATGFQDNPSDADYAPKPQSRPSGSYLNSRGRRIRKPARRRSSPENDSEDESPSKEKKEKRAREDEEAADRQELHDGEAGEASEGEEVEEAEDDIELQGEGDDEEDGRPTQASSMSSRTESKPYSSVTHKCGDCGKKFTHTGNFKRHMRIHTGEKPFSCRDCNKAFSDPAACKAHEKTHSPLKPYCCSTCGKSYRQVSLLNLHRKRHTGEARYSCDVCGKLFTTSGNLKRHQLVHSGEKPYHCDFCDKAFSDPTAKMRHLETHDTEKGNKCPHCDKRFNQVGNLKAHLKIHIADGPLKCKECGKQFTTSGNLKRHLRVHSGEKPYVCSHCQRAFSDPGALQRHERIHTGEKPCICLVCGKAFTQASSLIAHVRQHTGEKPYVCDRCGKRFVQSSQLANHIRHHDNVRPHKCQMCNKAFVNVGDLSKHIIIHTGEKPFLCDKCGRGFNRVDNLRSHVKTVHHGKAGMKRLVLTGGTIEEVADDCAEAGSSDEIKIVTVTTEDIVTLTTEALAGSAVAQLTVLPVAASVSADETEALKAEITKAVEKVQEEDPNTQILYACDSCGDKFLDATSLAQHVRIHTAQALVMFQSDSDFYQYTAATATGEGDDDAAAAATWQPAPEQVIQEEELIFRTEEEERKSEEMDGEQVSETVIHVEEAVEVEETTSEHQTNERDGEEEKEENVKSKD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	40.1	Very low	185 Å²	185	112.5 Å²	112.5	91%	0.911	55%	0.554	S	S	*	*				0	135.4	0	-62.2	-174.8	-76	0	0	107.5	F3 D91	M1-F3 PolarHBondContact O-N 2.91Å; M1-D91 WeakPolarHBondContact CE-OD1 3.3Å
2	E	25.5	Very low	41.3	Very low	195 Å²	195	113.2 Å²	113.2	91%	0.911	56%	0.555	S	S	*	*			trans	-81.7	112.2	170.9	-69.3	-173.5	134.8	0	0	108.6
3	F	32.7	Very low	41.9	Very low	117 Å²	117	111.6 Å²	111.6	51%	0.513	55%	0.546	S	S	.	.			trans	-69.4	131.9	173.1	-89.9	-100.1	0	0	0	109.3	M1 W5	M1-F3 PolarHBondContact O-N 2.91Å; F3-W5 PolarHBondContact O-N 2.98Å
4	P	38.3	Very low	42.4	Very low	91 Å²	91	107.1 Å²	107.1	59%	0.591	53%	0.525	S	S	*	.			trans	-58	134.1	176.6	-24.6	34.1	0	0	0	111.2	H6 S7	P4-H6 PolarHBondContact O-N 3.04Å; P4-S7 WeakPolarHBondContact O-CB 3.12Å; P4-S7 PolarHBondContact O-N 3.46Å; P4-S7 PolarHBondContact O-OG 3.44Å
5	W	33.5	Very low	43.1	Very low	226 Å²	226	101.7 Å²	101.7	86%	0.856	50%	0.5	S	S	*	.	H	α-helix	trans	-47.3	-41.4	-172.6	-159.1	-66.1	0	0	0	113.8	F3 S7 G8 E9	F3-W5 PolarHBondContact O-N 2.98Å; W5-S7 VanDerWaalsContact C-N 3.28Å; W5-S7 PolarHBondContact O-N 3.3Å; W5-G8 PolarHBondContact O-N 2.91Å; W5-G8 VanDerWaalsContact O-N 3.14Å; W5-E9 PolarHBondContact O-N 3.1Å
6	H	39.4	Very low	43.9	Very low	143 Å²	143	104 Å²	104	66%	0.662	50%	0.501	S	S	*	.	H	α-helix	trans	-59.3	-30.6	177.5	-56.4	102.4	0	0	0	114.3	P4 V10	P4-H6 PolarHBondContact O-N 3.04Å; H6-V10 WeakPolarHBondContact O-CG2 3.48Å; H6-V10 PolarHBondContact O-N 2.99Å
7	S	49.9	Very low	44.4	Very low	33 Å²	33	101.4 Å²	101.4	23%	0.231	49%	0.488	C	S	.	.	H	α-helix	trans	-71.6	-34.8	176.7	67.4	0	0	0	0	112.3	P4 W5 L11	P4-S7 WeakPolarHBondContact O-CB 3.12Å; P4-S7 PolarHBondContact O-N 3.46Å; P4-S7 PolarHBondContact O-OG 3.44Å; W5-S7 VanDerWaalsContact C-N 3.28Å; W5-S7 PolarHBondContact O-N 3.3Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 2.87Å
8	G	46.9	Very low	45	Very low	30 Å²	30	100.2 Å²	100.2	31%	0.309	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-42.1	174.5	0	0	0	0	0	112.1	W5 L11 E12	W5-G8 PolarHBondContact O-N 2.91Å; W5-G8 VanDerWaalsContact O-N 3.14Å; G8-L11 PolarHBondContact O-N 3.19Å; G8-E12 WeakPolarHBondContact O-CB 3.36Å; G8-E12 PolarHBondContact O-N 2.85Å
9	E	46.8	Very low	45.4	Very low	126 Å²	126	103.8 Å²	103.8	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-65.7	-39.3	177.9	-171.4	169	-159.6	0	0	112.3	W5 E12 Q13	W5-E9 PolarHBondContact O-N 3.1Å; E9-E12 PolarHBondContact O-N 2.74Å; E9-Q13 VanDerWaalsContact O-CB 3.31Å; E9-Q13 WeakPolarHBondContact O-CB 3.33Å; E9-Q13 PolarHBondContact O-N 3.3Å
10	V	49.7	Very low	45.9	Very low	60 Å²	60	104.6 Å²	104.6	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-44.5	172.5	170.8	0	0	0	0	111.3	H6 Q13 L14	H6-V10 WeakPolarHBondContact O-CG2 3.48Å; H6-V10 PolarHBondContact O-N 2.99Å; V10-Q13 PolarHBondContact O-N 3.04Å; V10-L14 HydrophobicContact CG1-CD1 3.89Å; V10-L14 WeakPolarHBondContact O-CB 3.5Å; V10-L14 WeakPolarHBondContact O-CD1 3.45Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.14Å; V10-L14 PolarHBondContact O-N 3.05Å
11	L	50.4	Low	46.1	Very low	31 Å²	31	102.6 Å²	102.6	16%	0.162	50%	0.502	C	S	.	.	H	α-helix	trans	-65.3	-38.3	176.3	-74	168.4	0	0	0	112.4	S7 G8 L14 N15 F98	S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 2.87Å; G8-L11 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 2.95Å; L11-N15 VanDerWaalsContact O-CB 3.3Å; L11-N15 WeakPolarHBondContact O-CB 3.39Å; L11-N15 PolarHBondContact O-N 2.89Å; L11-F98 HydrophobicContact CB-CD1 4.35Å; L11-F98 HydrophobicContact CB-CE1 3.76Å; L11-F98 HydrophobicContact CD1-CD1 4.5Å; L11-F98 HydrophobicContact CD1-CE1 4.49Å
12	E	53.6	Low	47.1	Very low	121 Å²	121	99.6 Å²	99.6	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-68.2	-41	175.7	-172.7	174.5	-174.2	0	0	111.7	G8 E9 N15 R16	G8-E12 WeakPolarHBondContact O-CB 3.36Å; G8-E12 PolarHBondContact O-N 2.85Å; E9-E12 PolarHBondContact O-N 2.74Å; E12-N15 CarbonylContact O-C 3.56Å; E12-N15 PolarHBondContact O-N 3.08Å; E12-R16 WeakPolarHBondContact O-CB 3.1Å; E12-R16 PolarHBondContact O-N 3Å
13	Q	49.1	Very low	48.3	Very low	93 Å²	93	92.9 Å²	92.9	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-39.9	175.2	179.2	68	-24.5	0	0	111.8	E9 V10 R16 Q17	E9-Q13 VanDerWaalsContact O-CB 3.31Å; E9-Q13 WeakPolarHBondContact O-CB 3.33Å; E9-Q13 PolarHBondContact O-N 3.3Å; V10-Q13 PolarHBondContact O-N 3.04Å; Q13-R16 WeakPolarHBondContact O-CB 3.38Å; Q13-R16 PolarHBondContact O-N 3.37Å; Q13-Q17 WeakPolarHBondContact O-CG 3.28Å; Q13-Q17 PolarHBondContact O-N 2.85Å
14	L	48.8	Very low	48.7	Very low	49 Å²	49	92 Å²	92	26%	0.257	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-39.2	172.2	-73.2	163.2	0	0	0	111.8	V10 L11 R16 Q17 R18 L23 A40	V10-L14 HydrophobicContact CG1-CD1 3.89Å; V10-L14 WeakPolarHBondContact O-CB 3.5Å; V10-L14 WeakPolarHBondContact O-CD1 3.45Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.14Å; V10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.95Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 2.95Å; L14-R18 WeakPolarHBondContact O-CB 3.25Å; L14-R18 PolarHBondContact O-N 3.25Å; L14-L23 HydrophobicContact CD2-CD1 4.16Å; L14-A40 HydrophobicContact CD1-CB 4.2Å; L14-A40 HydrophobicContact CD2-CB 4.1Å
15	N	53	Low	48.9	Very low	26 Å²	26	92.1 Å²	92.1	14%	0.139	46%	0.462	C	S	.	.	H	α-helix	trans	-66.5	-35	174.3	-163.3	-10.4	0	0	0	111.7	L11 E12 K19 L99	L11-N15 VanDerWaalsContact O-CB 3.3Å; L11-N15 WeakPolarHBondContact O-CB 3.39Å; L11-N15 PolarHBondContact O-N 2.89Å; E12-N15 CarbonylContact O-C 3.56Å; E12-N15 PolarHBondContact O-N 3.08Å; N15-K19 WeakPolarHBondContact O-CG 3.32Å; N15-K19 PolarHBondContact O-N 3.44Å; N15-K19 WeakPolarHBondContact OD1-CE 3.48Å; N15-L99 HydrophobicContact CB-CD2 4.14Å
16	R	56	Low	49.4	Very low	138 Å²	138	82.9 Å²	82.9	52%	0.521	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-44.5	171.7	-178.4	177.3	-73.6	179.3	-0.6	111.7	E12 Q13 L14 K19 Q20	E12-R16 WeakPolarHBondContact O-CB 3.1Å; E12-R16 PolarHBondContact O-N 3Å; Q13-R16 WeakPolarHBondContact O-CB 3.38Å; Q13-R16 PolarHBondContact O-N 3.37Å; L14-R16 VanDerWaalsContact C-N 3.34Å; R16-K19 PolarHBondContact O-N 2.79Å; R16-Q20 WeakPolarHBondContact O-CG 2.86Å; R16-Q20 PolarHBondContact O-N 2.85Å; R16-Q20 VanDerWaalsContact O-N 3.09Å
17	Q	53.3	Low	49.4	Very low	60 Å²	60	80.6 Å²	80.6	28%	0.28	43%	0.428	S	S	.	.	H	α-helix	trans	-66.2	-36.7	175.9	-71.4	175.3	2.1	0	0	112.6	Q13 L14 Q20 G21 L22 L23	Q13-Q17 WeakPolarHBondContact O-CG 3.28Å; Q13-Q17 PolarHBondContact O-N 2.85Å; L14-Q17 PolarHBondContact O-N 2.95Å; Q17-Q20 CarbonylContact O-C 3.54Å; Q17-Q20 PolarHBondContact O-N 3.3Å; Q17-G21 PolarHBondContact O-N 3.02Å; Q17-L22 PolarHBondContact O-N 2.9Å; Q17-L22 VanDerWaalsContact O-N 3.15Å; Q17-L23 HydrophobicContact CB-CD1 4Å; Q17-L23 HydrophobicContact CB-CG 4.17Å
18	R	54.9	Low	49.1	Very low	80 Å²	80	82.2 Å²	82.2	30%	0.302	43%	0.431	S	S	.	.	H	α-helix	trans	-58	-49.5	168.7	167.7	172.3	-170.8	-141.8	4.4	111.7	L14 Q20 G21 L23 H38 L99	L14-R18 WeakPolarHBondContact O-CB 3.25Å; L14-R18 PolarHBondContact O-N 3.25Å; R18-Q20 PolarHBondContact O-N 2.91Å; R18-G21 PolarHBondContact O-N 3.04Å; R18-L23 HydrophobicContact CB-CD1 4.44Å; R18-H38 VanDerWaalsContact CD-NE2 3.34Å; R18-H38 WeakPolarHBondContact CD-NE2 3.5Å; R18-H38 VanDerWaalsContact CG-NE2 3.28Å; R18-H38 WeakPolarHBondContact CG-NE2 3.24Å; R18-H38 PolarHBondContact NE-NE2 2.82Å; R18-L99 PolarHBondContact NH1-O 3.19Å
19	K	52.6	Low	48.3	Very low	169 Å²	169	85.1 Å²	85.1	74%	0.735	44%	0.442	S	S	*	.	H	α-helix	trans	-63.9	-17.6	176.4	-72.3	170	-177.6	174.2	0	113.6	N15 R16	N15-K19 WeakPolarHBondContact O-CG 3.32Å; N15-K19 PolarHBondContact O-N 3.44Å; N15-K19 WeakPolarHBondContact OD1-CE 3.48Å; R16-K19 PolarHBondContact O-N 2.79Å
20	Q	55.3	Low	47.7	Very low	118 Å²	118	81.7 Å²	81.7	55%	0.551	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.8	173.4	-70.1	169.2	-17.9	0	0	113.5	R16 Q17 R18 L22	R16-Q20 WeakPolarHBondContact O-CG 2.86Å; R16-Q20 PolarHBondContact O-N 2.85Å; R16-Q20 VanDerWaalsContact O-N 3.09Å; Q17-Q20 CarbonylContact O-C 3.54Å; Q17-Q20 PolarHBondContact O-N 3.3Å; R18-Q20 PolarHBondContact O-N 2.91Å; Q20-L22 VanDerWaalsContact C-N 3.25Å; Q20-L22 HydrophobicContact CB-CD1 3.99Å; Q20-L22 HydrophobicContact CB-CG 4.1Å; Q20-L22 PolarHBondContact O-N 3.3Å
21	G	50.1	Low	46.8	Very low	64 Å²	64	86.6 Å²	86.6	66%	0.66	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	15.2	-179.9	0	0	0	0	0	114.8	Q17 R18	Q17-G21 PolarHBondContact O-N 3.02Å; R18-G21 PolarHBondContact O-N 3.04Å
22	L	48.6	Very low	45.9	Very low	122 Å²	122	88.5 Å²	88.5	64%	0.639	48%	0.481	S	S	*	.			trans	-86.1	-10	-175.8	-66.3	171.2	0	0	0	113.6	Q17 Q20	Q17-L22 PolarHBondContact O-N 2.9Å; Q17-L22 VanDerWaalsContact O-N 3.15Å; Q20-L22 VanDerWaalsContact C-N 3.25Å; Q20-L22 HydrophobicContact CB-CD1 3.99Å; Q20-L22 HydrophobicContact CB-CG 4.1Å; Q20-L22 PolarHBondContact O-N 3.3Å
23	L	50.4	Low	44.8	Very low	54 Å²	54	86.5 Å²	86.5	28%	0.283	48%	0.477	S	S	.	.	S	Bend	trans	-111.1	129	177.7	-65.1	174	0	0	0	109.5	L14 Q17 R18	L14-L23 HydrophobicContact CD2-CD1 4.16Å; Q17-L23 HydrophobicContact CB-CD1 4Å; Q17-L23 HydrophobicContact CB-CG 4.17Å; R18-L23 HydrophobicContact CB-CD1 4.44Å
24	C	43	Very low	44.1	Very low	99 Å²	99	87.6 Å²	87.6	67%	0.669	49%	0.486	S	S	*	.			trans	-86.4	133.4	179.9	-60.6	0	0	0	0	111.3
25	D	42.5	Very low	43.6	Very low	93 Å²	93	87.5 Å²	87.5	50%	0.497	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	150.5	164.5	-83.9	-63.6	0	0	0	111.8	H38	D25-H38 VanDerWaalsContact CG-CE1 3.43Å; D25-H38 IonicContact OD1-CE1 3.32Å; D25-H38 PolarHBondContact OD1-CE1 3.38Å; D25-H38 IonicContact OD1-ND1 3.58Å; D25-H38 PolarHBondContact OD1-ND1 3.04Å; D25-H38 IonicContact OD2-CE1 2.69Å; D25-H38 PolarHBondContact OD2-CE1 3.39Å; D25-H38 IonicContact OD2-ND1 3.56Å
26	C	43.7	Very low	43.1	Very low	31 Å²	31	91.3 Å²	91.3	21%	0.209	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.6	171.4	-74	0	0	0	0	109.7	A37 K39	C26-A37 PolarHBondContact N-O 3.23Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.13Å; C26-K39 HydrophobicContact CB-CG 4.41Å; C26-K39 WeakPolarHBondContact SG-CE 3.38Å; C26-K39 PolarHBondContact SG-NZ 3.26Å
27	T	37.9	Very low	42.7	Very low	96 Å²	96	84.7 Å²	84.7	59%	0.589	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.1	166.4	45.3	0	0	0	0	109.5	F35 K36	T27-F35 CarbonylContact C-O 3.57Å; T27-F35 VanDerWaalsContact CA-O 3.3Å; T27-F35 WeakPolarHBondContact CA-O 3.39Å; T27-K36 HydrophobicContact CG2-CD 4.47Å; T27-K36 HydrophobicContact CG2-CG 3.68Å
28	F	43.5	Very low	42.8	Very low	67 Å²	67	82.6 Å²	82.6	29%	0.294	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.7	165.4	65.5	-98.9	0	0	0	110	V30 F35 A37 L42	F28-V30 HydrophobicContact CD2-CG2 3.76Å; F28-V30 HydrophobicContact CE2-CG2 3.59Å; F28-F35 HydrophobicContact CE2-CB 4.13Å; F28-F35 HydrophobicContact CZ-CB 4.26Å; F28-F35 PolarHBondContact N-O 2.95Å; F28-F35 PolarHBondContact O-N 3.26Å; F28-A37 HydrophobicContact CD1-CB 4.39Å; F28-A37 HydrophobicContact CE1-CB 3.61Å; F28-A37 HydrophobicContact CZ-CB 4.49Å; F28-L42 HydrophobicContact CD1-CD1 4.35Å; F28-L42 HydrophobicContact CE1-CD1 4.34Å; F28-L42 HydrophobicContact CE1-CD2 3.88Å; F28-L42 HydrophobicContact CZ-CD2 4.38Å
29	V	30.9	Very low	42.6	Very low	90 Å²	90	81.7 Å²	81.7	55%	0.545	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.4	-175.8	-160.9	0	0	0	0	109.3	V33 D34	V29-V33 WeakPolarHBondContact CA-O 2.97Å; V29-D34 WeakPolarHBondContact CG2-OD1 3.45Å
30	V	34.9	Very low	42.5	Very low	55 Å²	55	74.8 Å²	74.8	33%	0.333	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.3	166.2	-173.5	0	0	0	0	107.2	F28 G32 V33 F35	F28-V30 HydrophobicContact CD2-CG2 3.76Å; F28-V30 HydrophobicContact CE2-CG2 3.59Å; V30-G32 PolarHBondContact O-N 2.04Å; V30-V33 PolarHBondContact N-O 2.84Å; V30-V33 PolarHBondContact O-N 3.11Å; V30-F35 HydrophobicContact CB-CD2 4.07Å; V30-F35 HydrophobicContact CB-CE2 3.94Å; V30-F35 HydrophobicContact CG2-CD2 4.16Å; V30-F35 HydrophobicContact CG2-CE2 4.47Å
31	D	31.2	Very low	42.3	Very low	163 Å²	163	69.4 Å²	69.4	87%	0.872	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	38.5	177.3	-54	-30.1	0	0	0	115.1
32	G	31.1	Very low	42.6	Very low	70 Å²	70	68.3 Å²	68.3	72%	0.722	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	0.5	177.6	0	0	0	0	0	115.7	V30	V30-G32 PolarHBondContact O-N 2.04Å
33	V	30.6	Very low	42.8	Very low	80 Å²	80	62.9 Å²	62.9	49%	0.485	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128	178.4	-177.3	0	0	0	0	110.9	V29 V30 F35	V29-V33 WeakPolarHBondContact CA-O 2.97Å; V30-V33 PolarHBondContact N-O 2.84Å; V30-V33 PolarHBondContact O-N 3.11Å; V33-F35 HydrophobicContact CB-CD2 4.39Å; V33-F35 HydrophobicContact CB-CE2 3.64Å; V33-F35 HydrophobicContact CB-CZ 3.85Å; V33-F35 HydrophobicContact CG1-CD2 4.33Å; V33-F35 HydrophobicContact CG1-CE1 3.98Å; V33-F35 HydrophobicContact CG1-CE2 3.73Å; V33-F35 HydrophobicContact CG1-CZ 3.54Å; V33-F35 VanDerWaalsContact O-CD2 3.25Å; V33-F35 WeakPolarHBondContact O-CD2 3.14Å; V33-F35 PolarHBondContact O-N 3.35Å
34	D	33.1	Very low	42.9	Very low	115 Å²	115	61.7 Å²	61.7	62%	0.615	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	104.5	178	-76.7	-2.4	0	0	0	111.4	V29	V29-D34 WeakPolarHBondContact CG2-OD1 3.45Å
35	F	40.1	Very low	43.2	Very low	47 Å²	47	57.3 Å²	57.3	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.8	174.8	-64.2	-77.3	0	0	0	111.6	T27 F28 V30 V33 A107	T27-F35 CarbonylContact C-O 3.57Å; T27-F35 VanDerWaalsContact CA-O 3.3Å; T27-F35 WeakPolarHBondContact CA-O 3.39Å; F28-F35 HydrophobicContact CE2-CB 4.13Å; F28-F35 HydrophobicContact CZ-CB 4.26Å; F28-F35 PolarHBondContact N-O 2.95Å; F28-F35 PolarHBondContact O-N 3.26Å; V30-F35 HydrophobicContact CB-CD2 4.07Å; V30-F35 HydrophobicContact CB-CE2 3.94Å; V30-F35 HydrophobicContact CG2-CD2 4.16Å; V30-F35 HydrophobicContact CG2-CE2 4.47Å; V33-F35 HydrophobicContact CB-CD2 4.39Å; V33-F35 HydrophobicContact CB-CE2 3.64Å; V33-F35 HydrophobicContact CB-CZ 3.85Å; V33-F35 HydrophobicContact CG1-CD2 4.33Å; V33-F35 HydrophobicContact CG1-CE1 3.98Å; V33-F35 HydrophobicContact CG1-CE2 3.73Å; V33-F35 HydrophobicContact CG1-CZ 3.54Å; V33-F35 VanDerWaalsContact O-CD2 3.25Å; V33-F35 WeakPolarHBondContact O-CD2 3.14Å; V33-F35 PolarHBondContact O-N 3.35Å; F35-A107 HydrophobicContact CD1-CB 4.03Å; F35-A107 HydrophobicContact CE1-CB 3.5Å; F35-A107 VanDerWaalsContact CE1-CB 3.5Å; F35-A107 HydrophobicContact CZ-CB 4.04Å
36	K	40.7	Very low	44	Very low	106 Å²	106	54.1 Å²	54.1	46%	0.461	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.3	173.6	-71.4	166	-173.7	160.5	0	110.8	T27	T27-K36 HydrophobicContact CG2-CD 4.47Å; T27-K36 HydrophobicContact CG2-CG 3.68Å
37	A	48.5	Very low	44.1	Very low	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.2	168.5	0	0	0	0	0	112.2	C26 F28 L42 I104	C26-A37 PolarHBondContact N-O 3.23Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.13Å; F28-A37 HydrophobicContact CD1-CB 4.39Å; F28-A37 HydrophobicContact CE1-CB 3.61Å; F28-A37 HydrophobicContact CZ-CB 4.49Å; A37-L42 HydrophobicContact CB-CD2 4.4Å; A37-L42 HydrophobicContact CB-CG 4.47Å; A37-I104 HydrophobicContact CB-CD1 3.69Å
38	H	56.3	Low	44.5	Very low	15 Å²	15	59.3 Å²	59.3	7%	0.069	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.7	165.2	-84.1	37.1	0	0	0	110	R18 D25 A40 V41	R18-H38 VanDerWaalsContact CD-NE2 3.34Å; R18-H38 WeakPolarHBondContact CD-NE2 3.5Å; R18-H38 VanDerWaalsContact CG-NE2 3.28Å; R18-H38 WeakPolarHBondContact CG-NE2 3.24Å; R18-H38 PolarHBondContact NE-NE2 2.82Å; D25-H38 VanDerWaalsContact CG-CE1 3.43Å; D25-H38 IonicContact OD1-CE1 3.32Å; D25-H38 PolarHBondContact OD1-CE1 3.38Å; D25-H38 IonicContact OD1-ND1 3.58Å; D25-H38 PolarHBondContact OD1-ND1 3.04Å; D25-H38 IonicContact OD2-CE1 2.69Å; D25-H38 PolarHBondContact OD2-CE1 3.39Å; D25-H38 IonicContact OD2-ND1 3.56Å; H38-A40 PolarHBondContact O-N 2.85Å; H38-V41 HydrophobicContact CB-CG2 4.36Å; H38-V41 WeakPolarHBondContact O-CB 3.49Å; H38-V41 PolarHBondContact O-N 3.28Å
39	K	49.9	Very low	44.8	Very low	61 Å²	61	59.7 Å²	59.7	27%	0.265	34%	0.335	S	S	.	.	H	α-helix	trans	-49.3	-33.3	178.1	-88.4	170.4	166.8	151.5	0	114.5	C26 V41 L42 A43 M77 Y78	C26-K39 HydrophobicContact CB-CG 4.41Å; C26-K39 WeakPolarHBondContact SG-CE 3.38Å; C26-K39 PolarHBondContact SG-NZ 3.26Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.36Å; K39-L42 PolarHBondContact O-N 2.83Å; K39-A43 PolarHBondContact O-N 3.41Å; K39-A43 VanDerWaalsContact O-N 3.15Å; K39-M77 HydrophobicContact CB-CE 3.94Å; K39-M77 WeakPolarHBondContact O-CE 3.1Å; K39-Y78 VanDerWaalsContact NZ-CE1 3.27Å; K39-Y78 VanDerWaalsContact NZ-CZ 3.31Å; K39-Y78 PolarHBondContact NZ-OH 3.34Å
40	A	49.7	Very low	45.7	Very low	24 Å²	24	58.7 Å²	58.7	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-34.1	177.1	0	0	0	0	0	113.7	L14 H38 A44	L14-A40 HydrophobicContact CD1-CB 4.2Å; L14-A40 HydrophobicContact CD2-CB 4.1Å; H38-A40 PolarHBondContact O-N 2.85Å; A40-A44 PolarHBondContact O-N 3.42Å
41	V	52.1	Low	46.4	Very low	6 Å²	6	58.7 Å²	58.7	4%	0.036	32%	0.322	C	S	.	.	H	α-helix	trans	-71.4	-41.7	178.4	-172.7	0	0	0	0	110.6	H38 K39 A43 A44 C45 V95 L99 M101	H38-V41 HydrophobicContact CB-CG2 4.36Å; H38-V41 WeakPolarHBondContact O-CB 3.49Å; H38-V41 PolarHBondContact O-N 3.28Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.36Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.19Å; V41-A44 PolarHBondContact O-N 3.23Å; V41-C45 WeakPolarHBondContact O-CB 3.31Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.08Å; V41-V95 HydrophobicContact CG1-CG1 4.2Å; V41-L99 HydrophobicContact CG2-CD1 3.59Å; V41-M101 HydrophobicContact CG2-SD 3.78Å
42	L	55.5	Low	47.3	Very low	41 Å²	41	53.7 Å²	53.7	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-34	177.4	-57.9	178.9	0	0	0	111.9	F28 A37 K39 S46 L82	F28-L42 HydrophobicContact CD1-CD1 4.35Å; F28-L42 HydrophobicContact CE1-CD1 4.34Å; F28-L42 HydrophobicContact CE1-CD2 3.88Å; F28-L42 HydrophobicContact CZ-CD2 4.38Å; A37-L42 HydrophobicContact CB-CD2 4.4Å; A37-L42 HydrophobicContact CB-CG 4.47Å; K39-L42 PolarHBondContact O-N 2.83Å; L42-S46 PolarHBondContact O-N 3.07Å; L42-L82 HydrophobicContact CD2-CB 4.2Å; L42-L82 HydrophobicContact CD2-CD1 4.42Å; L42-L82 HydrophobicContact CD2-CD2 3.86Å; L42-L82 HydrophobicContact CD2-CG 4.38Å
43	A	53.3	Low	48	Very low	8 Å²	8	57.2 Å²	57.2	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-52.6	172.4	0	0	0	0	0	112.3	K39 V41 C45 S46 F49 M77	K39-A43 PolarHBondContact O-N 3.41Å; K39-A43 VanDerWaalsContact O-N 3.15Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.19Å; A43-C45 PolarHBondContact O-N 3.48Å; A43-S46 VanDerWaalsContact O-CB 3.32Å; A43-S46 WeakPolarHBondContact O-CB 3.17Å; A43-S46 PolarHBondContact O-N 3.1Å; A43-S46 PolarHBondContact O-OG 2.96Å; A43-F49 HydrophobicContact CB-CD2 4.37Å; A43-F49 HydrophobicContact CB-CE2 4.43Å; A43-F49 WeakPolarHBondContact O-CB 3.33Å; A43-M77 HydrophobicContact CB-CE 3.81Å; A43-M77 HydrophobicContact CB-CG 4.04Å; A43-M77 HydrophobicContact CB-SD 3.66Å
44	A	52.1	Low	48.8	Very low	29 Å²	29	59.7 Å²	59.7	24%	0.24	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-33.4	-178.7	0	0	0	0	0	112.9	A40 V41 S46	A40-A44 PolarHBondContact O-N 3.42Å; V41-A44 PolarHBondContact O-N 3.23Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.88Å
45	C	50.7	Low	49.2	Very low	7 Å²	7	60.3 Å²	60.3	5%	0.047	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.1	179.4	-57.7	0	0	0	0	113.9	V41 A43 L82 N88 V92	V41-C45 WeakPolarHBondContact O-CB 3.31Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.08Å; A43-C45 PolarHBondContact O-N 3.48Å; C45-L82 HydrophobicContact CB-CD1 3.72Å; C45-N88 PolarHBondContact O-ND2 3.1Å; C45-V92 HydrophobicContact CB-CG2 3.9Å
46	S	57.4	Low	49.3	Very low	25 Å²	25	63.7 Å²	63.7	18%	0.175	32%	0.32	C	S	.	.	S	Bend	trans	-81.9	146.1	178.6	76.2	0	0	0	0	112.3	L42 A43 A44 Y48 F49	L42-S46 PolarHBondContact O-N 3.07Å; A43-S46 VanDerWaalsContact O-CB 3.32Å; A43-S46 WeakPolarHBondContact O-CB 3.17Å; A43-S46 PolarHBondContact O-N 3.1Å; A43-S46 PolarHBondContact O-OG 2.96Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.88Å; S46-Y48 PolarHBondContact O-N 3.14Å; S46-F49 PolarHBondContact O-N 2.91Å
47	V	46.6	Very low	49.2	Very low	111 Å²	111	68.3 Å²	68.3	67%	0.673	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-37.2	179.9	-178.8	0	0	0	0	111.5	F49 R50 T51	V47-F49 VanDerWaalsContact C-N 3.29Å; V47-F49 PolarHBondContact O-N 3.3Å; V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.42Å; V47-R50 VanDerWaalsContact O-N 3.12Å; V47-T51 PolarHBondContact O-N 2.86Å; V47-T51 VanDerWaalsContact O-N 3.12Å; V47-T51 PolarHBondContact O-OG1 3.4Å
48	Y	46.1	Very low	48.5	Very low	126 Å²	126	75 Å²	75	49%	0.494	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-34.7	-179.8	-167.2	-115.1	0	0	0	113	S46 R50 T51 L52 F76	S46-Y48 PolarHBondContact O-N 3.14Å; Y48-R50 VanDerWaalsContact C-N 3.34Å; Y48-T51 WeakPolarHBondContact CA-OG1 3.3Å; Y48-T51 PolarHBondContact O-N 2.78Å; Y48-T51 PolarHBondContact O-OG1 2.78Å; Y48-L52 HydrophobicContact CD1-CD1 3.79Å; Y48-L52 HydrophobicContact CD1-CG 4.41Å; Y48-L52 HydrophobicContact CE1-CD1 3.59Å; Y48-L52 HydrophobicContact CE1-CG 4.17Å; Y48-L52 WeakPolarHBondContact O-CG 3.42Å; Y48-L52 PolarHBondContact O-N 3.47Å; Y48-F76 HydrophobicContact CD1-CD1 4.14Å; Y48-F76 AromaticContact CD1-CE1 3.61Å; Y48-F76 HydrophobicContact CD1-CE1 3.61Å; Y48-F76 HydrophobicContact CD1-CZ 4.35Å; Y48-F76 HydrophobicContact CE1-CD1 4.43Å; Y48-F76 HydrophobicContact CE1-CE1 4.07Å; Y48-F76 AromaticContact CG-CE1 3.87Å; Y48-F76 HydrophobicContact CG-CE1 3.87Å; Y48-F76 HydrophobicContact CG-CZ 4.38Å
49	F	49.6	Very low	47.6	Very low	74 Å²	74	80.3 Å²	80.3	33%	0.325	41%	0.409	S	S	.	.	H	α-helix	trans	-69.2	-32.5	176.8	-140	-81.6	0	0	0	112.1	A43 S46 V47 F53	A43-F49 HydrophobicContact CB-CD2 4.37Å; A43-F49 HydrophobicContact CB-CE2 4.43Å; A43-F49 WeakPolarHBondContact O-CB 3.33Å; S46-F49 PolarHBondContact O-N 2.91Å; V47-F49 VanDerWaalsContact C-N 3.29Å; V47-F49 PolarHBondContact O-N 3.3Å; F49-F53 AromaticContact CD1-CD2 3.99Å; F49-F53 HydrophobicContact CD1-CD2 3.99Å; F49-F53 HydrophobicContact CD1-CE2 4.07Å; F49-F53 AromaticContact CE1-CD2 3.95Å; F49-F53 HydrophobicContact CE1-CD2 3.95Å; F49-F53 AromaticContact CE1-CE2 3.57Å; F49-F53 HydrophobicContact CE1-CE2 3.57Å; F49-F53 HydrophobicContact CZ-CE2 4.17Å
50	R	50.3	Low	46.9	Very low	69 Å²	69	82.3 Å²	82.3	26%	0.26	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-48.1	171.4	-71.8	-169	179.7	92.2	-13.6	111.4	V47 Y48 L52 F53 L54 N88 D91	V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.42Å; V47-R50 VanDerWaalsContact O-N 3.12Å; Y48-R50 VanDerWaalsContact C-N 3.34Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.22Å; R50-F53 PolarHBondContact O-N 3.21Å; R50-L54 HydrophobicContact CB-CD1 4.2Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 PolarHBondContact O-N 2.83Å; R50-N88 VanDerWaalsContact CZ-OD1 3.29Å; R50-N88 PolarHBondContact NH1-OD1 3.4Å; R50-N88 PolarHBondContact NH2-OD1 3.05Å; R50-D91 IonicContact CZ-OD2 3.71Å; R50-D91 IonicContact NE-OD2 3.97Å; R50-D91 VanDerWaalsContact NH2-CB 3.32Å; R50-D91 IonicContact NH2-OD2 3.41Å; R50-D91 PolarHBondContact NH2-OD2 3.19Å
51	T	49.5	Very low	46.3	Very low	55 Å²	55	89.3 Å²	89.3	34%	0.337	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-35.2	-179.3	47.7	0	0	0	0	113.4	V47 Y48 F53 D55	V47-T51 PolarHBondContact O-N 2.86Å; V47-T51 VanDerWaalsContact O-N 3.12Å; V47-T51 PolarHBondContact O-OG1 3.4Å; Y48-T51 WeakPolarHBondContact CA-OG1 3.3Å; Y48-T51 PolarHBondContact O-N 2.78Å; Y48-T51 PolarHBondContact O-OG1 2.78Å; T51-F53 VanDerWaalsContact C-N 3.28Å; T51-F53 PolarHBondContact O-N 3.37Å; T51-D55 PolarHBondContact O-N 3.42Å
52	L	51.1	Low	45.6	Very low	58 Å²	58	94.2 Å²	94.2	30%	0.304	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-28.4	176.2	-81.7	170.9	0	0	0	113.8	Y48 R50	Y48-L52 HydrophobicContact CD1-CD1 3.79Å; Y48-L52 HydrophobicContact CD1-CG 4.41Å; Y48-L52 HydrophobicContact CE1-CD1 3.59Å; Y48-L52 HydrophobicContact CE1-CG 4.17Å; Y48-L52 WeakPolarHBondContact O-CG 3.42Å; Y48-L52 PolarHBondContact O-N 3.47Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.22Å
53	F	45.3	Very low	44.8	Very low	145 Å²	145	97.3 Å²	97.3	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-107.8	-15.5	-175.4	-83.3	-83.6	0	0	0	114.9	F49 R50 T51	F49-F53 AromaticContact CD1-CD2 3.99Å; F49-F53 HydrophobicContact CD1-CD2 3.99Å; F49-F53 HydrophobicContact CD1-CE2 4.07Å; F49-F53 AromaticContact CE1-CD2 3.95Å; F49-F53 HydrophobicContact CE1-CD2 3.95Å; F49-F53 AromaticContact CE1-CE2 3.57Å; F49-F53 HydrophobicContact CE1-CE2 3.57Å; F49-F53 HydrophobicContact CZ-CE2 4.17Å; R50-F53 PolarHBondContact O-N 3.21Å; T51-F53 VanDerWaalsContact C-N 3.28Å; T51-F53 PolarHBondContact O-N 3.37Å
54	L	46.8	Very low	44.2	Very low	132 Å²	132	101.7 Å²	101.7	69%	0.691	52%	0.518	S	S	*	.	H	α-helix	trans	-103.3	-39.9	-178.5	-68.7	170.3	0	0	0	113.7	R50	R50-L54 HydrophobicContact CB-CD1 4.2Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 PolarHBondContact O-N 2.83Å
55	D	41.9	Very low	43.5	Very low	127 Å²	127	105.1 Å²	105.1	68%	0.679	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-25.2	-171.3	-66.6	-50.1	0	0	0	114	T51 K57	T51-D55 PolarHBondContact O-N 3.42Å; D55-K57 PolarHBondContact O-N 3.43Å
56	Q	41.4	Very low	43	Very low	119 Å²	119	109.4 Å²	109.4	56%	0.556	56%	0.563	S	S	*	*			trans	-87.3	98.6	178.1	-68.4	-164.8	-18.9	0	0	111.8	D58	Q56-D58 VanDerWaalsContact C-N 3.3Å
57	K	39.2	Very low	42	Very low	202 Å²	202	111.9 Å²	111.9	88%	0.878	59%	0.585	S	S	*	*			trans	-75.9	-13.5	170.9	-80.1	-176.6	174.7	175.3	0	114.4	D55	D55-K57 PolarHBondContact O-N 3.43Å
58	D	33.3	Very low	41.7	Very low	141 Å²	141	109.4 Å²	109.4	75%	0.754	58%	0.576	S	S	*	*	S	Bend	trans	-84.8	120.6	174	-73.1	-47	0	0	0	110.4	Q56 V60	Q56-D58 VanDerWaalsContact C-N 3.3Å; D58-V60 PolarHBondContact O-N 3.36Å
59	V	37.7	Very low	41.3	Very low	126 Å²	126	104.6 Å²	104.6	76%	0.764	57%	0.565	S	S	*	*			trans	-75.2	86.1	-170.9	-175.9	0	0	0	0	111.1	H61	V59-H61 PolarHBondContact O-N 3.25Å
60	V	34.7	Very low	41	Very low	103 Å²	103	104.9 Å²	104.9	62%	0.624	57%	0.569	S	S	*	*			trans	-76.8	100.2	161.8	-177.3	0	0	0	0	108.2	D58 L62	D58-V60 PolarHBondContact O-N 3.36Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 3.19Å
61	H	38.6	Very low	40.3	Very low	171 Å²	171	103.2 Å²	103.2	79%	0.792	57%	0.574	S	S	*	*			trans	-64.1	92.2	165.9	-98.9	-78.4	0	0	0	109.3	V59 D63	V59-H61 PolarHBondContact O-N 3.25Å; H61-D63 VanDerWaalsContact C-N 3.31Å; H61-D63 PolarHBondContact O-N 3.4Å
62	L	37.5	Very low	40.1	Very low	109 Å²	109	107.8 Å²	107.8	57%	0.571	59%	0.591	S	S	*	*			trans	-75.1	85.2	175.8	-159.4	77.8	0	0	0	109.2	V60 I64 V73	V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 3.19Å; L62-I64 VanDerWaalsContact O-CG1 3.3Å; L62-I64 WeakPolarHBondContact O-CG1 3.39Å; L62-I64 PolarHBondContact O-N 2.8Å; L62-V73 HydrophobicContact CD2-CG2 4.27Å
63	D	37.3	Very low	39.7	Very low	106 Å²	106	107.7 Å²	107.7	57%	0.567	59%	0.593	S	S	*	*			trans	-72.4	94.6	-173.8	-167.3	-14.3	0	0	0	112	H61 S65 N66	H61-D63 VanDerWaalsContact C-N 3.31Å; H61-D63 PolarHBondContact O-N 3.4Å; D63-S65 VanDerWaalsContact CG-OG 3.22Å; D63-S65 PolarHBondContact O-N 3.3Å; D63-S65 VanDerWaalsContact O-N 3.1Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.39Å; D63-S65 PolarHBondContact OD1-OG 2.97Å; D63-S65 PolarHBondContact OD2-OG 2.9Å; D63-N66 PolarHBondContact O-N 3.34Å
64	I	40.3	Very low	39.6	Very low	101 Å²	101	103.9 Å²	103.9	52%	0.518	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-11.5	-179.1	-41	-176.9	0	0	0	111.8	L62 N66 L70	L62-I64 VanDerWaalsContact O-CG1 3.3Å; L62-I64 WeakPolarHBondContact O-CG1 3.39Å; L62-I64 PolarHBondContact O-N 2.8Å; I64-N66 PolarHBondContact O-N 3.21Å; I64-L70 HydrophobicContact CG2-CD1 3.93Å
65	S	39.2	Very low	39.3	Very low	101 Å²	101	103.4 Å²	103.4	71%	0.706	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-18.7	174.8	74.2	0	0	0	0	113.5	D63	D63-S65 VanDerWaalsContact CG-OG 3.22Å; D63-S65 PolarHBondContact O-N 3.3Å; D63-S65 VanDerWaalsContact O-N 3.1Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.39Å; D63-S65 PolarHBondContact OD1-OG 2.97Å; D63-S65 PolarHBondContact OD2-OG 2.9Å
66	N	38.5	Very low	39.2	Very low	96 Å²	96	102.5 Å²	102.5	51%	0.513	57%	0.567	S	S	.	*	S	Bend	trans	-87	119.1	174.4	-173.8	-8.2	0	0	0	111.6	D63 I64 A68 G69 L70	D63-N66 PolarHBondContact O-N 3.34Å; I64-N66 PolarHBondContact O-N 3.21Å; N66-A68 PolarHBondContact O-N 2.7Å; N66-A68 VanDerWaalsContact O-N 3.07Å; N66-A68 PolarHBondContact OD1-N 2.88Å; N66-G69 PolarHBondContact O-N 3.17Å; N66-L70 PolarHBondContact O-N 3.08Å; N66-L70 VanDerWaalsContact O-N 3.13Å
67	A	37.6	Very low	39.4	Very low	78 Å²	78	98.7 Å²	98.7	65%	0.645	55%	0.55	S	S	*	.	H	α-helix	trans	-55.5	-26.6	178.1	0	0	0	0	0	114.2	G71	A67-G71 PolarHBondContact O-N 3.1Å
68	A	38.8	Very low	39.5	Very low	58 Å²	58	96.6 Å²	96.6	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-70.4	-39.6	174.9	0	0	0	0	0	112.8	N66 G71 Q72	N66-A68 PolarHBondContact O-N 2.7Å; N66-A68 VanDerWaalsContact O-N 3.07Å; N66-A68 PolarHBondContact OD1-N 2.88Å; A68-G71 PolarHBondContact O-N 2.83Å; A68-Q72 PolarHBondContact O-N 3.13Å; A68-Q72 VanDerWaalsContact O-N 3.07Å
69	G	39.1	Very low	39.6	Very low	25 Å²	25	94.9 Å²	94.9	26%	0.258	53%	0.532	S	S	.	.	H	α-helix	trans	-69.9	-45.1	176.5	0	0	0	0	0	111.5	N66 G71 Q72 V73	N66-G69 PolarHBondContact O-N 3.17Å; G69-G71 VanDerWaalsContact C-N 3.25Å; G69-G71 PolarHBondContact O-N 3.32Å; G69-Q72 PolarHBondContact O-N 2.78Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.69Å; G69-V73 VanDerWaalsContact O-N 3.14Å
70	L	42.4	Very low	39.8	Very low	80 Å²	80	91.2 Å²	91.2	42%	0.419	51%	0.513	S	S	.	.	H	α-helix	trans	-57.2	-41.1	171	-174.7	70.7	0	0	0	111.4	I64 N66 V73 L74	I64-L70 HydrophobicContact CG2-CD1 3.93Å; N66-L70 PolarHBondContact O-N 3.08Å; N66-L70 VanDerWaalsContact O-N 3.13Å; L70-V73 PolarHBondContact O-N 3.18Å; L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.91Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.12Å
71	G	36.9	Very low	40	Very low	35 Å²	35	95.6 Å²	95.6	36%	0.361	52%	0.523	S	S	.	.	H	α-helix	trans	-58.9	-49.8	176.6	0	0	0	0	0	113.2	A67 A68 G69 V73 L74 D75	A67-G71 PolarHBondContact O-N 3.1Å; A68-G71 PolarHBondContact O-N 2.83Å; G69-G71 VanDerWaalsContact C-N 3.25Å; G69-G71 PolarHBondContact O-N 3.32Å; G71-V73 PolarHBondContact O-N 3.23Å; G71-L74 PolarHBondContact O-N 3.45Å; G71-D75 WeakPolarHBondContact O-CB 3.12Å; G71-D75 PolarHBondContact O-N 2.92Å
72	Q	43.9	Very low	40.4	Very low	150 Å²	150	90 Å²	90	70%	0.701	50%	0.499	S	S	*	.	H	α-helix	trans	-63	-41.4	179.1	-71.1	175.8	0.8	0	0	112.6	A68 G69 D75 F76	A68-Q72 PolarHBondContact O-N 3.13Å; A68-Q72 VanDerWaalsContact O-N 3.07Å; G69-Q72 PolarHBondContact O-N 2.78Å; Q72-D75 PolarHBondContact O-N 3.18Å; Q72-F76 PolarHBondContact O-N 2.56Å; Q72-F76 VanDerWaalsContact O-N 3.11Å
73	V	43.5	Very low	40.7	Very low	56 Å²	56	88.9 Å²	88.9	34%	0.339	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.3	174	0	0	0	0	110.9	L62 G69 L70 G71 M77	L62-V73 HydrophobicContact CD2-CG2 4.27Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.69Å; G69-V73 VanDerWaalsContact O-N 3.14Å; L70-V73 PolarHBondContact O-N 3.18Å; G71-V73 PolarHBondContact O-N 3.23Å; V73-M77 HydrophobicContact CG1-CG 4.47Å; V73-M77 HydrophobicContact CG1-SD 3.84Å; V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 WeakPolarHBondContact O-CG 3.41Å; V73-M77 PolarHBondContact O-N 3.05Å
74	L	42.2	Very low	41.4	Very low	66 Å²	66	86.1 Å²	86.1	35%	0.346	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-40.2	178.1	-74.5	172.8	0	0	0	113.1	L70 G71 M77 Y78	L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.91Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.12Å; G71-L74 PolarHBondContact O-N 3.45Å; L74-M77 HydrophobicContact CD2-CE 4.17Å; L74-M77 HydrophobicContact CD2-SD 4.26Å; L74-M77 CarbonylContact O-C 3.58Å; L74-M77 WeakPolarHBondContact O-CB 3.45Å; L74-M77 PolarHBondContact O-N 3.2Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å; L74-Y78 PolarHBondContact O-N 2.74Å
75	D	40.4	Very low	42	Very low	122 Å²	122	86 Å²	86	65%	0.652	49%	0.485	S	S	*	.	H	α-helix	trans	-67.8	-38.6	-179.9	-145.4	38.5	0	0	0	111	G71 Q72 Y78	G71-D75 WeakPolarHBondContact O-CB 3.12Å; G71-D75 PolarHBondContact O-N 2.92Å; Q72-D75 PolarHBondContact O-N 3.18Å; D75-Y78 PolarHBondContact O-N 2.84Å
76	F	40	Very low	42.8	Very low	107 Å²	107	85.1 Å²	85.1	47%	0.469	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-44.7	170.3	-165.4	-104.9	0	0	0	111.5	Y48 Q72 Y78 T79	Y48-F76 HydrophobicContact CD1-CD1 4.14Å; Y48-F76 AromaticContact CD1-CE1 3.61Å; Y48-F76 HydrophobicContact CD1-CE1 3.61Å; Y48-F76 HydrophobicContact CD1-CZ 4.35Å; Y48-F76 HydrophobicContact CE1-CD1 4.43Å; Y48-F76 HydrophobicContact CE1-CE1 4.07Å; Y48-F76 AromaticContact CG-CE1 3.87Å; Y48-F76 HydrophobicContact CG-CE1 3.87Å; Y48-F76 HydrophobicContact CG-CZ 4.38Å; Q72-F76 PolarHBondContact O-N 2.56Å; Q72-F76 VanDerWaalsContact O-N 3.11Å; F76-Y78 PolarHBondContact O-N 2.92Å; F76-T79 PolarHBondContact O-N 2.84Å; F76-T79 PolarHBondContact O-OG1 3.33Å
77	M	46.4	Very low	43.4	Very low	39 Å²	39	88.2 Å²	88.2	19%	0.192	49%	0.493	C	S	.	.	H	α-helix	trans	-60.2	-23.2	174.4	-75.6	169.7	54.3	0	0	114.2	K39 A43 V73 L74 T79 S80	K39-M77 HydrophobicContact CB-CE 3.94Å; K39-M77 WeakPolarHBondContact O-CE 3.1Å; A43-M77 HydrophobicContact CB-CE 3.81Å; A43-M77 HydrophobicContact CB-CG 4.04Å; A43-M77 HydrophobicContact CB-SD 3.66Å; V73-M77 HydrophobicContact CG1-CG 4.47Å; V73-M77 HydrophobicContact CG1-SD 3.84Å; V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 WeakPolarHBondContact O-CG 3.41Å; V73-M77 PolarHBondContact O-N 3.05Å; L74-M77 HydrophobicContact CD2-CE 4.17Å; L74-M77 HydrophobicContact CD2-SD 4.26Å; L74-M77 CarbonylContact O-C 3.58Å; L74-M77 WeakPolarHBondContact O-CB 3.45Å; L74-M77 PolarHBondContact O-N 3.2Å; M77-T79 PolarHBondContact O-N 3.02Å; M77-S80 PolarHBondContact O-OG 3.36Å
78	Y	41.1	Very low	44.2	Very low	158 Å²	158	85.2 Å²	85.2	62%	0.62	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.4	172.8	-89.5	-70.6	0	0	0	113.5	K39 L74 D75 F76	K39-Y78 VanDerWaalsContact NZ-CE1 3.27Å; K39-Y78 VanDerWaalsContact NZ-CZ 3.31Å; K39-Y78 PolarHBondContact NZ-OH 3.34Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å; L74-Y78 PolarHBondContact O-N 2.74Å; D75-Y78 PolarHBondContact O-N 2.84Å; F76-Y78 PolarHBondContact O-N 2.92Å
79	T	35.1	Very low	45.3	Very low	105 Å²	105	82.7 Å²	82.7	64%	0.644	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-21.6	-177.9	66.7	0	0	0	0	114.6	F76 M77 K81	F76-T79 PolarHBondContact O-N 2.84Å; F76-T79 PolarHBondContact O-OG1 3.33Å; M77-T79 PolarHBondContact O-N 3.02Å; T79-K81 PolarHBondContact O-N 2.86Å
80	S	41.6	Very low	46.3	Very low	50 Å²	50	87.3 Å²	87.3	35%	0.35	46%	0.459	S	S	.	.			trans	-80.8	111.3	-173.8	51.1	0	0	0	0	112.9	M77	M77-S80 PolarHBondContact O-OG 3.36Å
81	K	39.4	Very low	46.9	Very low	194 Å²	194	85.7 Å²	85.7	84%	0.843	45%	0.451	S	S	*	.			trans	-70.1	140.1	163.2	-70.8	-176.2	176.2	-178	0	110.1	T79	T79-K81 PolarHBondContact O-N 2.86Å
82	L	46.5	Very low	48	Very low	55 Å²	55	84.2 Å²	84.2	29%	0.288	44%	0.435	S	S	.	.			trans	-87	123.7	170.5	-162.5	82.4	0	0	0	109.9	L42 C45 L84	L42-L82 HydrophobicContact CD2-CB 4.2Å; L42-L82 HydrophobicContact CD2-CD1 4.42Å; L42-L82 HydrophobicContact CD2-CD2 3.86Å; L42-L82 HydrophobicContact CD2-CG 4.38Å; C45-L82 HydrophobicContact CB-CD1 3.72Å; L82-L84 HydrophobicContact CD2-CD2 3.97Å
83	C	45.4	Very low	48.9	Very low	84 Å²	84	77.5 Å²	77.5	57%	0.568	40%	0.404	S	S	*	.			trans	-105.9	123.5	170.3	-60.5	0	0	0	0	109.4
84	L	50.4	Low	49.7	Very low	49 Å²	49	77.1 Å²	77.1	26%	0.257	40%	0.404	S	S	.	.			trans	-88.7	107	173.9	-65.4	178.4	0	0	0	109	L82 I89 V92	L82-L84 HydrophobicContact CD2-CD2 3.97Å; L84-I89 HydrophobicContact CB-CD1 4.35Å; L84-I89 HydrophobicContact CB-CG1 4.21Å; L84-I89 HydrophobicContact CD2-CG1 4.4Å; L84-V92 HydrophobicContact CD2-CG1 4.41Å; L84-V92 HydrophobicContact CD2-CG2 4.21Å
85	N	54.6	Low	50.3	Low	99 Å²	99	74.8 Å²	74.8	53%	0.529	39%	0.392	S	S	.	.			trans	-110.3	154.2	173.1	-69.7	-1.9	0	0	0	109.1	N87 N88 I89	N85-N87 PolarHBondContact O-N 3.13Å; N85-N87 VanDerWaalsContact O-N 3.09Å; N85-N88 PolarHBondContact O-N 2.92Å; N85-I89 WeakPolarHBondContact O-CG1 3.12Å; N85-I89 PolarHBondContact O-N 3.47Å
86	P	54.3	Low	51.2	Low	82 Å²	82	69 Å²	69	53%	0.532	36%	0.361	S	S	.	.	H	α-helix	trans	-47.1	-43.7	178.3	-30.6	36.4	0	0	0	113.7	N88	P86-N88 PolarHBondContact O-N 3.21Å
87	N	50.8	Low	52.3	Low	160 Å²	160	69.2 Å²	69.2	86%	0.856	36%	0.363	S	S	*	.	H	α-helix	trans	-72.9	-5.7	-178.8	-55.3	1.5	0	0	0	114.6	N85	N85-N87 PolarHBondContact O-N 3.13Å; N85-N87 VanDerWaalsContact O-N 3.09Å
88	N	55.2	Low	52.6	Low	16 Å²	16	72.5 Å²	72.5	9%	0.086	38%	0.377	C	S	.	.	H	α-helix	trans	-111.1	-23.4	-179.2	-162.7	26.2	0	0	0	112.4	C45 R50 N85 P86 E90 D91 V92	C45-N88 PolarHBondContact O-ND2 3.1Å; R50-N88 VanDerWaalsContact CZ-OD1 3.29Å; R50-N88 PolarHBondContact NH1-OD1 3.4Å; R50-N88 PolarHBondContact NH2-OD1 3.05Å; N85-N88 PolarHBondContact O-N 2.92Å; P86-N88 PolarHBondContact O-N 3.21Å; N88-E90 PolarHBondContact O-N 2.94Å; N88-D91 PolarHBondContact O-N 3.24Å; N88-V92 VanDerWaalsContact O-CG2 3.22Å; N88-V92 WeakPolarHBondContact O-CG2 3.31Å; N88-V92 PolarHBondContact O-N 3.42Å
89	I	62.9	Low	53.1	Low	4 Å²	4	65.7 Å²	65.7	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-68	-35.5	-168.2	-72.1	159.2	0	0	0	112.8	L84 N85 V92 L93 C108 Y111 Q112	L84-I89 HydrophobicContact CB-CD1 4.35Å; L84-I89 HydrophobicContact CB-CG1 4.21Å; L84-I89 HydrophobicContact CD2-CG1 4.4Å; N85-I89 WeakPolarHBondContact O-CG1 3.12Å; N85-I89 PolarHBondContact O-N 3.47Å; I89-V92 PolarHBondContact O-N 3.34Å; I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.43Å; I89-L93 WeakPolarHBondContact O-CB 3.46Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 2.79Å; I89-C108 HydrophobicContact CG2-CB 4.02Å; I89-Y111 HydrophobicContact CD1-CD1 3.33Å; I89-Y111 HydrophobicContact CD1-CE1 3.46Å; I89-Y111 VanDerWaalsContact CD1-CE1 3.46Å; I89-Y111 HydrophobicContact CD1-CG 4.12Å; I89-Q112 HydrophobicContact CG2-CG 3.93Å
90	E	59	Low	54	Low	123 Å²	123	68.4 Å²	68.4	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-67.9	-39.8	179	-163.7	60.9	-158.6	0	0	112.1	N88 L93 S94 Q112	N88-E90 PolarHBondContact O-N 2.94Å; E90-L93 PolarHBondContact O-N 3.38Å; E90-S94 PolarHBondContact O-N 3.37Å; E90-Q112 PolarHBondContact OE2-NE2 2.84Å
91	D	55.6	Low	54.5	Low	45 Å²	45	66.8 Å²	66.8	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-41.9	173.1	-77.4	-11.4	0	0	0	111.1	M1 R50 N88 L93 S94 V95	M1-D91 WeakPolarHBondContact CE-OD1 3.3Å; R50-D91 IonicContact CZ-OD2 3.71Å; R50-D91 IonicContact NE-OD2 3.97Å; R50-D91 VanDerWaalsContact NH2-CB 3.32Å; R50-D91 IonicContact NH2-OD2 3.41Å; R50-D91 PolarHBondContact NH2-OD2 3.19Å; N88-D91 PolarHBondContact O-N 3.24Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.24Å; D91-S94 PolarHBondContact O-N 3.11Å; D91-S94 PolarHBondContact O-OG 3.47Å; D91-V95 PolarHBondContact O-N 3.14Å; D91-V95 VanDerWaalsContact O-N 3.12Å
92	V	60.1	Low	55.4	Low	4 Å²	4	63 Å²	63	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-44.7	173.8	172.8	0	0	0	0	110.9	C45 L84 N88 I89 V95 A96 I104	C45-V92 HydrophobicContact CB-CG2 3.9Å; L84-V92 HydrophobicContact CD2-CG1 4.41Å; L84-V92 HydrophobicContact CD2-CG2 4.21Å; N88-V92 VanDerWaalsContact O-CG2 3.22Å; N88-V92 WeakPolarHBondContact O-CG2 3.31Å; N88-V92 PolarHBondContact O-N 3.42Å; I89-V92 PolarHBondContact O-N 3.34Å; V92-V95 PolarHBondContact O-N 2.91Å; V92-A96 VanDerWaalsContact O-CB 3.28Å; V92-A96 WeakPolarHBondContact O-CB 3.34Å; V92-A96 PolarHBondContact O-N 3.06Å; V92-I104 HydrophobicContact CG1-CG2 4.33Å
93	L	61.8	Low	55.8	Low	9 Å²	9	65.6 Å²	65.6	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-44.5	175.3	-83	166.5	0	0	0	111.6	I89 E90 D91 V95 A96 H97 I105 C108	I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.43Å; I89-L93 WeakPolarHBondContact O-CB 3.46Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 2.79Å; E90-L93 PolarHBondContact O-N 3.38Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.24Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 2.99Å; L93-A96 PolarHBondContact O-N 3.38Å; L93-H97 WeakPolarHBondContact O-CB 3.44Å; L93-H97 PolarHBondContact O-CD2 3.49Å; L93-H97 VanDerWaalsContact O-CD2 3.31Å; L93-H97 PolarHBondContact O-N 3.19Å; L93-I105 HydrophobicContact CD2-CB 4.46Å; L93-I105 HydrophobicContact CD2-CG2 4.17Å; L93-C108 HydrophobicContact CD1-CB 4.17Å; L93-C108 HydrophobicContact CD2-CB 3.55Å; L93-C108 HydrophobicContact CG-CB 3.66Å
94	S	60.4	Low	56.4	Low	49 Å²	49	62.4 Å²	62.4	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-42.6	179.1	80.5	0	0	0	0	112.3	E90 D91 F98	E90-S94 PolarHBondContact O-N 3.37Å; D91-S94 PolarHBondContact O-N 3.11Å; D91-S94 PolarHBondContact O-OG 3.47Å; S94-F98 WeakPolarHBondContact O-CB 3.4Å; S94-F98 PolarHBondContact O-N 3.48Å
95	V	54.8	Low	57.2	Low	17 Å²	17	60.5 Å²	60.5	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-71.9	-39	176.9	176.7	0	0	0	0	111.2	V41 D91 V92 L93 F98 L99	V41-V95 HydrophobicContact CG1-CG1 4.2Å; D91-V95 PolarHBondContact O-N 3.14Å; D91-V95 VanDerWaalsContact O-N 3.12Å; V92-V95 PolarHBondContact O-N 2.91Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 2.99Å; V95-F98 PolarHBondContact O-N 3.46Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 WeakPolarHBondContact O-CB 3.37Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.73Å
96	A	60.8	Low	57.9	Low	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-39.4	176.3	0	0	0	0	0	112.2	V92 L93 L99 Q100 M101 I104 I105	V92-A96 VanDerWaalsContact O-CB 3.28Å; V92-A96 WeakPolarHBondContact O-CB 3.34Å; V92-A96 PolarHBondContact O-N 3.06Å; L93-A96 PolarHBondContact O-N 3.38Å; A96-L99 CarbonylContact O-C 3.53Å; A96-L99 PolarHBondContact O-N 2.7Å; A96-Q100 PolarHBondContact O-N 3.25Å; A96-M101 PolarHBondContact O-N 3.39Å; A96-I104 HydrophobicContact CB-CB 4.22Å; A96-I104 HydrophobicContact CB-CG2 3.98Å; A96-I105 HydrophobicContact CB-CG1 3.78Å
97	H	61.7	Low	58.3	Low	111 Å²	111	58.1 Å²	58.1	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-47.5	171.4	-89.2	-79.2	0	0	0	112	L93 L99 Q100 I105	L93-H97 WeakPolarHBondContact O-CB 3.44Å; L93-H97 PolarHBondContact O-CD2 3.49Å; L93-H97 VanDerWaalsContact O-CD2 3.31Å; L93-H97 PolarHBondContact O-N 3.19Å; H97-L99 PolarHBondContact O-N 3.05Å; H97-Q100 PolarHBondContact O-N 3.27Å; H97-I105 HydrophobicContact CB-CD1 4.47Å; H97-I105 WeakPolarHBondContact NE2-CG2 3.44Å
98	F	53.6	Low	59	Low	109 Å²	109	50.6 Å²	50.6	48%	0.478	25%	0.253	S	S	.	.	H	α-helix	trans	-58.2	-36.9	177.1	-175.3	-94.1	0	0	0	112.5	L11 S94 V95	L11-F98 HydrophobicContact CB-CD1 4.35Å; L11-F98 HydrophobicContact CB-CE1 3.76Å; L11-F98 HydrophobicContact CD1-CD1 4.5Å; L11-F98 HydrophobicContact CD1-CE1 4.49Å; S94-F98 WeakPolarHBondContact O-CB 3.4Å; S94-F98 PolarHBondContact O-N 3.48Å; V95-F98 PolarHBondContact O-N 3.46Å
99	L	50.9	Low	59.5	Low	14 Å²	14	52.3 Å²	52.3	7%	0.073	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.1	178	-62	174.5	0	0	0	114	N15 R18 V41 V95 A96 H97 M101	N15-L99 HydrophobicContact CB-CD2 4.14Å; R18-L99 PolarHBondContact NH1-O 3.19Å; V41-L99 HydrophobicContact CG2-CD1 3.59Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 WeakPolarHBondContact O-CB 3.37Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.73Å; A96-L99 CarbonylContact O-C 3.53Å; A96-L99 PolarHBondContact O-N 2.7Å; H97-L99 PolarHBondContact O-N 3.05Å; L99-M101 VanDerWaalsContact C-N 3.29Å; L99-M101 HydrophobicContact CB-CG 3.96Å; L99-M101 HydrophobicContact CB-SD 4.3Å; L99-M101 WeakPolarHBondContact O-CG 3.29Å; L99-M101 PolarHBondContact O-N 2.89Å
100	Q	54	Low	59.8	Low	162 Å²	162	54.4 Å²	54.4	76%	0.757	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	38.7	177.7	-58.1	179.7	-18.8	0	0	113.8	A96 H97 Q102	A96-Q100 PolarHBondContact O-N 3.25Å; H97-Q100 PolarHBondContact O-N 3.27Å; Q100-Q102 PolarHBondContact O-N 2.78Å
101	M	52.6	Low	60.2	Low	16 Å²	16	53.3 Å²	53.3	8%	0.079	28%	0.276	C	S	.	.			trans	-93.9	73.2	-174.7	-62.8	-163.1	68.1	0	0	112	V41 A96 L99 E103 I104 I105	V41-M101 HydrophobicContact CG2-SD 3.78Å; A96-M101 PolarHBondContact O-N 3.39Å; L99-M101 VanDerWaalsContact C-N 3.29Å; L99-M101 HydrophobicContact CB-CG 3.96Å; L99-M101 HydrophobicContact CB-SD 4.3Å; L99-M101 WeakPolarHBondContact O-CG 3.29Å; L99-M101 PolarHBondContact O-N 2.89Å; M101-E103 VanDerWaalsContact C-N 3.27Å; M101-E103 PolarHBondContact O-N 3.41Å; M101-E103 VanDerWaalsContact O-N 3.16Å; M101-I104 HydrophobicContact CB-CB 4.43Å; M101-I104 HydrophobicContact CB-CD1 4.19Å; M101-I104 HydrophobicContact CB-CG1 4.41Å; M101-I104 HydrophobicContact CE-CD1 3.73Å; M101-I104 PolarHBondContact O-N 3.48Å; M101-I104 HydrophobicContact SD-CD1 4.1Å; M101-I105 WeakPolarHBondContact O-CG1 3.38Å; M101-I105 PolarHBondContact O-N 3.16Å; M101-I105 VanDerWaalsContact O-N 3.09Å
102	Q	57.1	Low	60.5	Low	115 Å²	115	54.6 Å²	54.6	54%	0.537	28%	0.28	S	S	.	.	H	α-helix	trans	-54.2	-34.7	-173.2	-65	-67.6	4	0	0	114.9	Q100 I104 I105 N106	Q100-Q102 PolarHBondContact O-N 2.78Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.11Å; Q102-I105 PolarHBondContact O-N 2.76Å; Q102-N106 WeakPolarHBondContact O-CB 3.48Å; Q102-N106 PolarHBondContact O-N 3.13Å; Q102-N106 PolarHBondContact O-ND2 3.28Å
103	E	55.9	Low	60.7	Low	109 Å²	109	57.8 Å²	57.8	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-40.5	175.8	-65.6	179.1	-168.6	0	0	112.2	M101 A107	M101-E103 VanDerWaalsContact C-N 3.27Å; M101-E103 PolarHBondContact O-N 3.41Å; M101-E103 VanDerWaalsContact O-N 3.16Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 2.97Å; E103-A107 VanDerWaalsContact O-N 3.14Å
104	I	57.9	Low	60.5	Low	18 Å²	18	65.2 Å²	65.2	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-76.5	-39	178.8	-57.8	177.3	0	0	0	110.7	A37 V92 A96 M101 Q102 A107 C108	A37-I104 HydrophobicContact CB-CD1 3.69Å; V92-I104 HydrophobicContact CG1-CG2 4.33Å; A96-I104 HydrophobicContact CB-CB 4.22Å; A96-I104 HydrophobicContact CB-CG2 3.98Å; M101-I104 HydrophobicContact CB-CB 4.43Å; M101-I104 HydrophobicContact CB-CD1 4.19Å; M101-I104 HydrophobicContact CB-CG1 4.41Å; M101-I104 HydrophobicContact CE-CD1 3.73Å; M101-I104 PolarHBondContact O-N 3.48Å; M101-I104 HydrophobicContact SD-CD1 4.1Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.11Å; I104-A107 PolarHBondContact O-N 3.12Å; I104-C108 WeakPolarHBondContact O-CB 3.48Å; I104-C108 PolarHBondContact O-N 2.97Å
105	I	67.9	Low	60.1	Low	9 Å²	9	66.6 Å²	66.6	5%	0.046	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-52.9	175.7	-62.9	166	0	0	0	109.4	L93 A96 H97 M101 Q102 A107 C108 S109	L93-I105 HydrophobicContact CD2-CB 4.46Å; L93-I105 HydrophobicContact CD2-CG2 4.17Å; A96-I105 HydrophobicContact CB-CG1 3.78Å; H97-I105 HydrophobicContact CB-CD1 4.47Å; H97-I105 WeakPolarHBondContact NE2-CG2 3.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.38Å; M101-I105 PolarHBondContact O-N 3.16Å; M101-I105 VanDerWaalsContact O-N 3.09Å; Q102-I105 PolarHBondContact O-N 2.76Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.18Å; I105-C108 PolarHBondContact O-N 3.4Å; I105-S109 WeakPolarHBondContact O-CB 3.26Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.13Å
106	N	68.1	Low	59.7	Low	104 Å²	104	69.7 Å²	69.7	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-59.3	-40.7	178.3	-68	-14.7	0	0	0	112.3	Q102 A110	Q102-N106 WeakPolarHBondContact O-CB 3.48Å; Q102-N106 PolarHBondContact O-N 3.13Å; Q102-N106 PolarHBondContact O-ND2 3.28Å; N106-A110 VanDerWaalsContact O-CB 3.29Å; N106-A110 WeakPolarHBondContact O-CB 3.4Å; N106-A110 PolarHBondContact O-N 3.22Å
107	A	63.8	Low	58.5	Low	27 Å²	27	78 Å²	78	22%	0.223	41%	0.41	C	S	.	.	H	α-helix	trans	-65	-45	177.4	0	0	0	0	0	112.7	F35 E103 I104 I105 A110 Y111	F35-A107 HydrophobicContact CD1-CB 4.03Å; F35-A107 HydrophobicContact CE1-CB 3.5Å; F35-A107 VanDerWaalsContact CE1-CB 3.5Å; F35-A107 HydrophobicContact CZ-CB 4.04Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 2.97Å; E103-A107 VanDerWaalsContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 3.12Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.18Å; A107-A110 PolarHBondContact O-N 2.8Å; A107-Y111 PolarHBondContact O-N 3.12Å
108	C	64.3	Low	57.1	Low	2 Å²	2	78.2 Å²	78.2	1%	0.014	42%	0.421	C	S	.	.	H	α-helix	trans	-69.6	-37.8	178.4	-75.4	0	0	0	0	112.5	I89 L93 I104 I105 Y111 Q112	I89-C108 HydrophobicContact CG2-CB 4.02Å; L93-C108 HydrophobicContact CD1-CB 4.17Å; L93-C108 HydrophobicContact CD2-CB 3.55Å; L93-C108 HydrophobicContact CG-CB 3.66Å; I104-C108 WeakPolarHBondContact O-CB 3.48Å; I104-C108 PolarHBondContact O-N 2.97Å; I105-C108 PolarHBondContact O-N 3.4Å; C108-Y111 PolarHBondContact O-N 3.24Å; C108-Q112 WeakPolarHBondContact O-CG 3.37Å; C108-Q112 PolarHBondContact O-N 2.91Å
109	S	67	Low	56.4	Low	51 Å²	51	78.7 Å²	78.7	36%	0.357	44%	0.436	S	S	.	.	H	α-helix	trans	-67.3	-36.7	172.4	-62.1	0	0	0	0	112.4	I105 Q112 S113	I105-S109 WeakPolarHBondContact O-CB 3.26Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.13Å; S109-Q112 PolarHBondContact O-N 3.43Å; S109-S113 PolarHBondContact O-N 3.06Å
110	A	68.3	Low	55.4	Low	49 Å²	49	84 Å²	84	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-62	-45.5	171.2	0	0	0	0	0	111.2	N106 A107 Q112 S113 M114	N106-A110 VanDerWaalsContact O-CB 3.29Å; N106-A110 WeakPolarHBondContact O-CB 3.4Å; N106-A110 PolarHBondContact O-N 3.22Å; A107-A110 PolarHBondContact O-N 2.8Å; A110-Q112 PolarHBondContact O-N 2.89Å; A110-S113 PolarHBondContact O-N 3.48Å; A110-S113 PolarHBondContact O-OG 3.31Å; A110-M114 WeakPolarHBondContact O-CG 3.07Å; A110-M114 PolarHBondContact O-N 3.04Å
111	Y	66.9	Low	54.4	Low	99 Å²	99	83 Å²	83	39%	0.388	47%	0.472	S	S	.	.	H	α-helix	trans	-59.7	-44.2	174.3	-167.3	-73.9	0	0	0	112.3	I89 A107 C108 S113 M114 S115	I89-Y111 HydrophobicContact CD1-CD1 3.33Å; I89-Y111 HydrophobicContact CD1-CE1 3.46Å; I89-Y111 VanDerWaalsContact CD1-CE1 3.46Å; I89-Y111 HydrophobicContact CD1-CG 4.12Å; A107-Y111 PolarHBondContact O-N 3.12Å; C108-Y111 PolarHBondContact O-N 3.24Å; Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 3.03Å; Y111-M114 PolarHBondContact O-N 3.46Å; Y111-S115 WeakPolarHBondContact O-CB 3.4Å; Y111-S115 PolarHBondContact O-N 2.87Å
112	Q	63.5	Low	53.3	Low	72 Å²	72	89.6 Å²	89.6	34%	0.336	51%	0.506	S	S	.	.	H	α-helix	trans	-57.7	-44.5	174.5	-78.4	178.7	-30.2	0	0	111.6	I89 E90 C108 S109 A110 M114 S115 S116	I89-Q112 HydrophobicContact CG2-CG 3.93Å; E90-Q112 PolarHBondContact OE2-NE2 2.84Å; C108-Q112 WeakPolarHBondContact O-CG 3.37Å; C108-Q112 PolarHBondContact O-N 2.91Å; S109-Q112 PolarHBondContact O-N 3.43Å; A110-Q112 PolarHBondContact O-N 2.89Å; Q112-M114 PolarHBondContact O-N 3.38Å; Q112-S115 PolarHBondContact O-N 3.39Å; Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.08Å; Q112-S116 PolarHBondContact O-OG 3.06Å
113	S	63.9	Low	51.9	Low	71 Å²	71	90.5 Å²	90.5	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-66.6	-33.2	178.5	71	0	0	0	0	114.1	S109 A110 Y111 S116	S109-S113 PolarHBondContact O-N 3.06Å; A110-S113 PolarHBondContact O-N 3.48Å; A110-S113 PolarHBondContact O-OG 3.31Å; Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 3.03Å; S113-S116 PolarHBondContact O-OG 3.39Å
114	M	56.1	Low	50.8	Low	165 Å²	165	92.2 Å²	92.2	81%	0.813	53%	0.531	S	S	*	.	H	α-helix	trans	-72.8	-29.6	173.1	-63.9	-122.3	-65.9	0	0	112.2	A110 Y111 Q112 S116	A110-M114 WeakPolarHBondContact O-CG 3.07Å; A110-M114 PolarHBondContact O-N 3.04Å; Y111-M114 PolarHBondContact O-N 3.46Å; Q112-M114 PolarHBondContact O-N 3.38Å; M114-S116 VanDerWaalsContact C-N 3.27Å; M114-S116 PolarHBondContact O-N 3.18Å
115	S	52.8	Low	49.2	Very low	78 Å²	78	99 Å²	99	55%	0.545	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-1.7	177.3	-170.5	0	0	0	0	114.1	Y111 Q112	Y111-S115 WeakPolarHBondContact O-CB 3.4Å; Y111-S115 PolarHBondContact O-N 2.87Å; Q112-S115 PolarHBondContact O-N 3.39Å
116	S	46.2	Very low	47.3	Very low	83 Å²	83	105.8 Å²	105.8	58%	0.58	60%	0.603	S	S	*	*			trans	-120.2	44.5	-169.2	73	0	0	0	0	114.6	Q112 S113 M114	Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.08Å; Q112-S116 PolarHBondContact O-OG 3.06Å; S113-S116 PolarHBondContact O-OG 3.39Å; M114-S116 VanDerWaalsContact C-N 3.27Å; M114-S116 PolarHBondContact O-N 3.18Å
117	Q	35.2	Very low	46.2	Very low	175 Å²	175	106.1 Å²	106.1	82%	0.818	61%	0.612	S	S	*	*			trans	-118.7	125.6	164.7	-69.9	-164.1	-8.9	0	0	111.1
118	P	33	Very low	44.3	Very low	114 Å²	114	112.2 Å²	112.2	74%	0.74	64%	0.64	S	S	*	*			trans	-80.4	152.4	173.7	33.5	-34	0	0	0	111.6
119	P	38.2	Very low	42.4	Very low	120 Å²	120	118.5 Å²	118.5	78%	0.779	67%	0.674	S	S	*	*			trans	-76.4	144	-179.4	31.3	-35.1	0	0	0	112.8
120	S	30.8	Very low	40.6	Very low	126 Å²	126	123.1 Å²	123.1	88%	0.881	69%	0.69	S	S	*	*			trans	-116.8	144.3	167.4	-65.2	0	0	0	0	109.5
121	I	32.3	Very low	38.5	Very low	141 Å²	141	127.2 Å²	127.2	72%	0.723	71%	0.71	S	S	*	*			trans	-126.4	126.3	-162.1	-77	178.6	0	0	0	111.2
122	I	30.9	Very low	36.5	Very low	154 Å²	154	125.9 Å²	125.9	79%	0.79	73%	0.726	S	S	*	*			trans	67.6	143.9	162.5	-64.7	167.5	0	0	0	113.2
123	T	27.7	Very low	34.6	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	75%	0.745	S	S	*	*			cis	-136.3	166.6	29.8	-29.7	0	0	0	0	113.8
124	L	32.2	Very low	32.7	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	76%	0.759	S	S	*	*			trans	-74.6	148.5	164.9	-70	154.4	0	0	0	112.3
125	D	24.7	Very low	31.2	Very low	160 Å²	160	131.7 Å²	131.7	86%	0.856	76%	0.757	S	S	*	*				-170.3	163.2	119.2	-99	-27.2	0	0	0	111.6
126	L	27.6	Very low	29.6	Very low	152 Å²	152	136 Å²	136	80%	0.796	77%	0.773	S	S	*	*			trans	-127.3	170.7	176.8	-66.9	104.2	0	0	0	110.1
127	P	44.2	Very low	28.7	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	78%	0.777	S	S	*	*			cis	-108.3	-151	-23.6	37.1	-19.4	0	0	0	109.1
128	D	24	Very low	28.2	Very low	154 Å²	154	131.7 Å²	131.7	82%	0.824	77%	0.773	S	S	*	*			cis	-167.3	-173.3	43.2	-147.9	-28.2	0	0	0	111.7
129	D	24.9	Very low	27.7	Very low	134 Å²	134	135 Å²	135	72%	0.717	78%	0.779	S	S	*	*			trans	-83.3	173.4	-164.4	-167.9	21.8	0	0	0	117
130	Q	28.6	Very low	27.3	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.692	78%	0.777	S	S	*	*			trans	90.4	114.4	156.9	-69.3	177	77.1	0	0	122.9
131	T	24.6	Very low	27	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	77%	0.765	S	S	*	*			trans	75.6	158.4	133.8	65.8	0	0	0	0	122.4
132	G	24.5	Very low	26.6	Very low	70 Å²	70	137 Å²	137	72%	0.722	76%	0.758	S	S	*	*			trans	96	103.1	170	0	0	0	0	0	114.2
133	E	24.7	Very low	26.3	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	76%	0.756	S	S	*	*				71.1	99.8	73.6	-74	-140	97.7	0	0	117.5
134	K	23.8	Very low	26.2	Very low	182 Å²	182	138.2 Å²	138.2	79%	0.791	76%	0.756	S	S	*	*			trans	67.2	166	133.5	-67.5	175.7	-177.1	147.7	0	121.3
135	A	23.7	Very low	26.3	Very low	93 Å²	93	136.2 Å²	136.2	77%	0.769	75%	0.751	S	S	*	*			trans	71.1	118.7	175.7	0	0	0	0	0	115.1
136	D	20.7	Very low	26.4	Very low	167 Å²	167	133.3 Å²	133.3	89%	0.893	74%	0.744	S	S	*	*			cis	85	135	27.2	-163.4	28.6	0	0	0	115.5
137	G	25.5	Very low	26.2	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	74%	0.744	S	S	*	*			trans	71.1	149.4	-177.6	0	0	0	0	0	115.4
138	S	24.6	Very low	25.2	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	74%	0.744	S	S	*	*			cis	-157.5	131.4	-12	48.2	0	0	0	0	107
139	E	24.4	Very low	25.2	Very low	184 Å²	184	131.5 Å²	131.5	86%	0.86	74%	0.74	S	S	*	*				62.3	156.4	82.2	-88.3	-149.2	124.9	0	0	116.3
140	Q	28.5	Very low	25.2	Very low	159 Å²	159	128.6 Å²	128.6	74%	0.743	74%	0.735	S	S	*	*			trans	88.2	133.2	-171.3	-57.1	-175	52.7	0	0	113.9
141	K	24.6	Very low	25.1	Very low	144 Å²	144	130.8 Å²	130.8	63%	0.626	75%	0.745	S	S	*	*			cis	-166.6	163.4	4	-113.8	168.6	176.1	-112	0	107.1
142	E	24.7	Very low	25.4	Very low	125 Å²	125	128.2 Å²	128.2	58%	0.584	74%	0.738	S	S	*	*			cis	-163.1	172.4	3.5	-143.6	152.9	-174.3	0	0	110.9
143	N	24.6	Very low	25.5	Very low	140 Å²	140	132.9 Å²	132.9	75%	0.749	74%	0.74	S	S	*	*			trans	68	84.9	150.6	-69	-22.6	0	0	0	122.8
144	Q	25.1	Very low	25.4	Very low	172 Å²	172	134 Å²	134	80%	0.804	75%	0.745	S	S	*	*				-39.6	173.2	112.4	-105.7	-172.8	79.4	0	0	114.2
145	P	34.9	Very low	25.5	Very low	103 Å²	103	134.3 Å²	134.3	67%	0.669	75%	0.747	S	S	*	*			cis	-159.7	174.8	48.4	41.9	-18.4	0	0	0	121.1
146	S	25.1	Very low	26.3	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	74%	0.743	S	S	*	*			trans	64.7	156.9	140.6	61.1	0	0	0	0	120.5
147	E	24.1	Very low	26.5	Very low	171 Å²	171	131.8 Å²	131.8	80%	0.799	74%	0.735	S	S	*	*			cis	-145.7	171.5	15.3	-139.2	-167.5	151.3	0	0	108.2
148	V	24.2	Very low	26.5	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.715	74%	0.74	S	S	*	*			cis	-146.8	168.2	15.1	-156.8	0	0	0	0	110.4
149	A	23.6	Very low	26.3	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	74%	0.742	S	S	*	*			trans	-90.6	-170.9	164.6	0	0	0	0	0	111.3
150	A	24.9	Very low	26.9	Very low	74 Å²	74	131.9 Å²	131.9	61%	0.612	73%	0.732	S	S	*	*			cis	-163.5	171.5	9.5	0	0	0	0	0	112.2
151	Q	25.8	Very low	26.7	Very low	194 Å²	194	129.8 Å²	129.8	91%	0.907	73%	0.73	S	S	*	*			trans	67.3	155.3	156.8	-62.8	165	33.1	0	0	118.8
152	A	31.2	Very low	26.8	Very low	82 Å²	82	131.5 Å²	131.5	68%	0.678	74%	0.74	S	S	*	*			cis	-173	148.1	-29.5	0	0	0	0	0	109.8
153	E	25.8	Very low	26.7	Very low	167 Å²	167	132 Å²	132	78%	0.78	75%	0.747	S	S	*	*				163.7	160.1	126.7	-92.7	-60	167.9	0	0	117.1
154	E	23.5	Very low	26.7	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	75%	0.746	S	S	*	*			trans	77.8	150.5	164.4	-68.8	-161.4	127.5	0	0	123.6
155	F	25.1	Very low	26.5	Very low	189 Å²	189	132.3 Å²	132.3	83%	0.829	75%	0.745	S	S	*	*			trans	-111.6	-167.8	-167.2	-71.8	-104	0	0	0	111.5
156	P	40.5	Very low	25.9	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	75%	0.749	S	S	*	*			cis	-116.1	158.2	-23.5	10	15.4	0	0	0	112.2
157	S	25.9	Very low	26.1	Very low	102 Å²	102	134.1 Å²	134.1	71%	0.713	75%	0.747	S	S	*	*				65.9	143.9	65.3	93.6	0	0	0	0	115.2
158	V	25	Very low	26	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	74%	0.744	S	S	*	*			cis	-136.5	169.1	22.4	-171.6	0	0	0	0	112.5
159	T	20.6	Very low	25.9	Very low	124 Å²	124	132.5 Å²	132.5	76%	0.761	74%	0.742	S	S	*	*			trans	-105.1	-156.1	-170.2	50.8	0	0	0	0	111.2
160	P	37.8	Very low	25.9	Very low	100 Å²	100	136.8 Å²	136.8	65%	0.649	75%	0.747	S	S	*	*			cis	-150.8	-178.4	4	38.5	-13.3	0	0	0	121.2
161	T	24.3	Very low	25.8	Very low	115 Å²	115	141 Å²	141	71%	0.706	76%	0.759	S	S	*	*			trans	80.8	127.7	136	43.4	0	0	0	0	125.3
162	E	25.5	Very low	25.7	Very low	180 Å²	180	138 Å²	138	84%	0.841	75%	0.753	S	S	*	*				87.1	168.9	125.9	-65.1	-78.4	127.6	0	0	122.1
163	D	22.8	Very low	25.3	Very low	135 Å²	135	141.7 Å²	141.7	72%	0.722	76%	0.762	S	S	*	*			trans	-121.1	-178.8	-140.4	-134.5	-53.1	0	0	0	113.5
164	L	24.8	Very low	25.2	Very low	137 Å²	137	137.5 Å²	137.5	72%	0.717	76%	0.763	S	S	*	*			trans	55.8	108.7	151.8	-71.3	163.6	0	0	0	122.3
165	K	21.9	Very low	25.1	Very low	183 Å²	183	136.4 Å²	136.4	80%	0.796	76%	0.763	S	S	*	*				82.2	116.4	114.4	-150.9	164.3	-173.6	172.4	0	121.4
166	N	20.5	Very low	25.1	Very low	141 Å²	141	134.3 Å²	134.3	75%	0.754	77%	0.766	S	S	*	*			trans	7.6	139.1	138.5	-143.8	36	0	0	0	118.1
167	P	30.6	Very low	24.2	Very low	100 Å²	100	134.4 Å²	134.4	65%	0.649	77%	0.769	S	S	*	*				-155.1	163.9	70.5	44.7	-25.5	0	0	0	120.3
168	Q	21.9	Very low	24.2	Very low	159 Å²	159	133.3 Å²	133.3	74%	0.743	77%	0.766	S	S	*	*			trans	66.1	107.4	134.7	-81.2	177	-82.7	0	0	124.2
169	S	21.4	Very low	24.2	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	76%	0.763	S	S	*	*				79.1	161.6	107.4	73.6	0	0	0	0	124.3
170	E	24	Very low	24.4	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	76%	0.758	S	S	*	*			trans	98.9	105.6	161.1	-51.2	-148.3	144.8	0	0	118.7
171	D	22.6	Very low	23.8	Very low	161 Å²	161	135.8 Å²	135.8	86%	0.861	76%	0.76	S	S	*	*			trans	-72.3	144.5	166.6	-50.2	-103.1	0	0	0	112.4
172	V	24.8	Very low	23.9	Very low	131 Å²	131	139.4 Å²	139.4	79%	0.794	77%	0.768	S	S	*	*			trans	-141.1	121.1	149.9	-169.4	0	0	0	0	111.9
173	N	22.5	Very low	23.7	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	76%	0.763	S	S	*	*			trans	-8.2	148.3	161.5	-52.2	-68.8	0	0	0	120.9
174	G	24	Very low	23.7	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	77%	0.767	S	S	*	*			trans	-172.5	80.1	165.3	0	0	0	0	0	115.2
175	D	21	Very low	23.6	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	77%	0.771	S	S	*	*			trans	-70.6	143.3	175.3	-131.3	-40.4	0	0	0	112.5
176	T	24.6	Very low	23.7	Very low	146 Å²	146	133.5 Å²	133.5	90%	0.896	77%	0.769	S	S	*	*			trans	-173.3	161.1	135.2	14.2	0	0	0	0	112.5
177	S	22.3	Very low	24.2	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	77%	0.77	S	S	*	*			trans	-135.1	177	-165	60.5	0	0	0	0	113.9
178	A	25.5	Very low	23.9	Very low	78 Å²	78	133.6 Å²	133.6	65%	0.645	77%	0.771	S	S	*	*			trans	95.1	119.2	148.8	0	0	0	0	0	120.4
179	D	24.3	Very low	24.3	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	78%	0.776	S	S	*	*				91	104.8	116	-73	6.6	0	0	0	125.2
180	L	24.8	Very low	24.4	Very low	123 Å²	123	134.5 Å²	134.5	64%	0.644	78%	0.779	S	S	*	*				82.4	133.1	110.5	-67.1	176.3	0	0	0	123.2
181	Q	26.2	Very low	24.4	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	78%	0.784	S	S	*	*			trans	68.8	133.7	133.6	-72.1	171.2	22.4	0	0	121.1
182	Q	25.6	Very low	24.4	Very low	190 Å²	190	138 Å²	138	89%	0.888	78%	0.777	S	S	*	*				-156.1	179	99.4	-107.5	174.8	43.4	0	0	113.6
183	T	21.6	Very low	24.4	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	77%	0.772	S	S	*	*			trans	-145.4	-175.6	-160.3	63.7	0	0	0	0	113
184	S	23	Very low	24.6	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	77%	0.773	S	S	*	*			trans	85.3	151.9	-179.2	86.2	0	0	0	0	114.8
185	S	23.3	Very low	24.5	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	76%	0.764	S	S	*	*			cis	-142.7	-175.8	19.1	56.5	0	0	0	0	115
186	Q	24.2	Very low	24.5	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	77%	0.772	S	S	*	*			trans	-96.2	177.3	-171.4	-82	-116.7	-2.1	0	0	111.8
187	P	30.9	Very low	24.4	Very low	117 Å²	117	140 Å²	140	76%	0.76	77%	0.765	S	S	*	*			cis	-143.6	-177.1	22.8	43.3	-22.9	0	0	0	118.8
188	N	23.3	Very low	24.5	Very low	126 Å²	126	146.6 Å²	146.6	67%	0.674	77%	0.773	S	S	*	*			trans	-75.8	170.8	169.4	-69.7	-76.2	0	0	0	113.5
189	P	31	Very low	25.1	Very low	131 Å²	131	148 Å²	148	85%	0.851	78%	0.776	S	S	*	*				-126.4	168.1	118.5	37.5	-33.4	0	0	0	114.8
190	I	23.4	Very low	25.5	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	77%	0.772	S	S	*	*			trans	-110.4	144.8	-167.3	-64.4	159.7	0	0	0	111.6	K192	I190-K192 HydrophobicContact CG2-CG 4.15Å
191	R	23.7	Very low	25.4	Very low	252 Å²	252	149.6 Å²	149.6	95%	0.951	78%	0.781	S	S	*	*			trans	-143.3	151.5	147.1	-132.5	174.1	-174.6	-179.4	1.3	111.9
192	K	23.3	Very low	25.2	Very low	163 Å²	163	149.1 Å²	149.1	71%	0.709	78%	0.784	S	S	*	*			trans	-130.3	170.2	-171.5	-66.6	-177	177	180	0	111.9	I190	I190-K192 HydrophobicContact CG2-CG 4.15Å
193	H	24.5	Very low	25	Very low	150 Å²	150	144.2 Å²	144.2	69%	0.694	77%	0.77	S	S	*	*			trans	91.7	124.6	144.3	-82	-64.7	0	0	0	121.6
194	L	25.2	Very low	25	Very low	168 Å²	168	146.9 Å²	146.9	88%	0.88	77%	0.774	S	S	*	*			trans	71	148.2	145.7	-57.8	165.7	0	0	0	118.2
195	G	21.9	Very low	25.3	Very low	60 Å²	60	147.1 Å²	147.1	62%	0.619	77%	0.771	S	S	*	*			cis	160.6	155.5	-8.8	0	0	0	0	0	113.6
196	R	22.4	Very low	25.4	Very low	263 Å²	263	147.2 Å²	147.2	99%	0.992	77%	0.771	S	S	*	*			trans	66.5	158.8	-175.1	-56	179.2	170.6	-159	-3.4	114
197	G	22.5	Very low	25.4	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	77%	0.771	S	S	*	*			cis	-174.8	155.9	-7.6	0	0	0	0	0	113.3
198	R	23.8	Very low	25.2	Very low	245 Å²	245	147.2 Å²	147.2	93%	0.925	78%	0.776	S	S	*	*			trans	-69.4	173.9	165.3	-118.4	-175	168.4	-158.8	-0	110.2
199	P	38.3	Very low	25.2	Very low	107 Å²	107	150.3 Å²	150.3	70%	0.695	78%	0.784	S	S	*	*			cis	-121.9	-122.5	-3.6	29.1	-2.8	0	0	0	109.3
200	P	33.1	Very low	24.8	Very low	100 Å²	100	149.4 Å²	149.4	65%	0.649	78%	0.776	S	S	*	*			cis	-136.2	146.6	-30.8	34	-13.7	0	0	0	118.1
201	K	22.5	Very low	24.7	Very low	193 Å²	193	148.5 Å²	148.5	84%	0.839	78%	0.777	S	S	*	*			trans	67.4	156.7	136.5	-76.3	-173	174.5	-175.7	0	123.8
202	N	22.4	Very low	24.6	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	77%	0.766	S	S	*	*			trans	61.8	130.6	166.5	-62.5	15.1	0	0	0	118.9
203	S	20.9	Very low	24.7	Very low	87 Å²	87	139.8 Å²	139.8	61%	0.608	77%	0.77	S	S	*	*			cis	95.2	120.9	13.6	86.5	0	0	0	0	117.1
204	H	22.2	Very low	24.7	Very low	173 Å²	173	140.2 Å²	140.2	80%	0.801	77%	0.769	S	S	*	*			trans	60.8	118.2	170.9	-69.7	-87.8	0	0	0	116.4
205	V	28.3	Very low	24.7	Very low	122 Å²	122	138.7 Å²	138.7	74%	0.739	76%	0.758	S	S	*	*				86.4	136.6	58	166.3	0	0	0	0	112.5
206	S	26.5	Very low	24.7	Very low	115 Å²	115	143.9 Å²	143.9	80%	0.804	77%	0.766	S	S	*	*			trans	81.3	135.9	172.2	-65.3	0	0	0	0	118.9
207	A	23.5	Very low	24.9	Very low	91 Å²	91	140 Å²	140	75%	0.752	76%	0.759	S	S	*	*			trans	157.2	144.7	138.9	0	0	0	0	0	110.5
208	Q	27	Very low	24.9	Very low	189 Å²	189	145.9 Å²	145.9	88%	0.883	77%	0.767	S	S	*	*			cis	-172.8	159.6	-29.4	-127.3	171.2	-4.6	0	0	108.4
209	K	21.9	Very low	24.8	Very low	192 Å²	192	137.5 Å²	137.5	84%	0.835	76%	0.757	S	S	*	*			trans	-160.2	122.9	155	-150.6	-177.4	179.9	-176.7	0	108.8
210	T	23.4	Very low	24.1	Very low	111 Å²	111	137.9 Å²	137.9	68%	0.681	76%	0.762	S	S	*	*			cis	-161.5	165.9	-10.6	19.1	0	0	0	0	107.5
211	V	22.3	Very low	23.8	Very low	125 Å²	125	142.1 Å²	142.1	76%	0.758	78%	0.775	S	S	*	*				159.3	140.9	126.8	158.4	0	0	0	0	111.2
212	S	21	Very low	23.9	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	77%	0.773	S	S	*	*			trans	51.8	107.3	169.5	-59.7	0	0	0	0	118.7
213	V	25	Very low	24	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	78%	0.78	S	S	*	*			cis	83.4	125.4	45.3	179.2	0	0	0	0	114.2
214	K	25.3	Very low	24.3	Very low	159 Å²	159	138.8 Å²	138.8	69%	0.691	79%	0.786	S	S	*	*			trans	74.3	143.4	168.7	-76.2	-176.6	175	-67.7	0	118.9
215	E	24	Very low	24.5	Very low	135 Å²	135	137.5 Å²	137.5	63%	0.631	79%	0.79	S	S	*	*			cis	-162.7	141.9	-21.9	-138.1	151.4	-133.4	0	0	111.8
216	E	23.4	Very low	24.2	Very low	170 Å²	170	135.2 Å²	135.2	79%	0.794	79%	0.791	S	S	*	*			trans	31.2	121	151.5	-66.8	174	175	0	0	126.5
217	E	25.4	Very low	24.1	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	79%	0.79	S	S	*	*				79	162.4	122.6	-61.6	-111.6	112.6	0	0	125.5
218	E	22	Very low	24.2	Very low	197 Å²	197	141.7 Å²	141.7	92%	0.921	79%	0.79	S	S	*	*			trans	66.4	144.5	177.8	-55.3	-160.9	153.1	0	0	120
219	G	22.6	Very low	24.1	Very low	70 Å²	70	140.2 Å²	140.2	72%	0.722	79%	0.789	S	S	*	*			cis	176.8	138.4	-10.4	0	0	0	0	0	116.6
220	S	23.3	Very low	24.3	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	79%	0.785	S	S	*	*			trans	62.3	118.8	149	-63.5	0	0	0	0	126.8
221	M	26.8	Very low	25.1	Very low	189 Å²	189	138.1 Å²	138.1	93%	0.931	79%	0.788	S	S	*	*			trans	59.3	132.1	131.1	-61.1	-168.3	177.2	0	0	125.3
222	A	25.4	Very low	25.3	Very low	96 Å²	96	137.2 Å²	137.2	79%	0.793	79%	0.788	S	S	*	*				175.9	122.9	108.1	0	0	0	0	0	117.8
223	N	24.8	Very low	25.5	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	79%	0.793	S	S	*	*			trans	44.3	147	141.1	-79.6	-9.9	0	0	0	128.6
224	A	25.7	Very low	25.6	Very low	88 Å²	88	138.2 Å²	138.2	73%	0.727	80%	0.795	S	S	*	*			trans	75.6	151.3	143.9	0	0	0	0	0	120.7
225	T	26.2	Very low	25.4	Very low	146 Å²	146	138.2 Å²	138.2	90%	0.896	80%	0.803	S	S	*	*			cis	-166.3	158.3	-18.8	24.5	0	0	0	0	109.7
226	G	23.2	Very low	25.5	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	81%	0.813	S	S	*	*			trans	167.3	148.1	166.7	0	0	0	0	0	115.3
227	F	25	Very low	25.6	Very low	182 Å²	182	138.4 Å²	138.4	80%	0.798	81%	0.811	S	S	*	*			trans	-159.7	140.6	-170	-141	-112.1	0	0	0	114
228	Q	25.6	Very low	25.7	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	80%	0.803	S	S	*	*			trans	54.5	145.7	159.9	-74.4	177.5	-34.7	0	0	119.7
229	D	24.5	Very low	25.7	Very low	159 Å²	159	134.9 Å²	134.9	85%	0.85	80%	0.801	S	S	*	*				-163.4	-177.4	69.6	-130.5	-36.4	0	0	0	116.4
230	N	26.2	Very low	26.5	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	80%	0.8	S	S	*	*			trans	-96.9	-147.1	-178.2	-144.2	2.4	0	0	0	112.5
231	P	39.9	Very low	26.5	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	80%	0.803	S	S	*	*			cis	-129.4	-159.7	2.5	47.9	-29.4	0	0	0	112.7
232	S	26.9	Very low	26.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	79%	0.794	S	S	*	*			cis	-168.3	171.5	-23.5	162	0	0	0	0	109.8
233	D	24.3	Very low	26.3	Very low	152 Å²	152	142.6 Å²	142.6	81%	0.813	80%	0.798	S	S	*	*			trans	-68.4	170.9	178.9	-52.2	-85.1	0	0	0	118.8
234	A	26.2	Very low	26.8	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	79%	0.794	S	S	*	*			trans	-167.1	142.3	133.6	0	0	0	0	0	114.9
235	D	22.8	Very low	26.7	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	80%	0.796	S	S	*	*			trans	-80.2	153.8	171.5	-62.3	-96.1	0	0	0	114.5
236	Y	24.5	Very low	26.8	Very low	216 Å²	216	138.1 Å²	138.1	85%	0.847	79%	0.789	S	S	*	*				-165.5	147.6	129.9	-147.4	-122.2	0	0	0	115.4	P238	Y236-P238 HydrophobicContact CD1-CG 4.28Å; Y236-P238 HydrophobicContact CE1-CG 3.65Å
237	A	25.5	Very low	27.1	Very low	92 Å²	92	138.3 Å²	138.3	76%	0.76	78%	0.779	S	S	*	*			trans	-161.2	130.1	163.6	0	0	0	0	0	113.2
238	P	28.7	Very low	27.2	Very low	104 Å²	104	137.3 Å²	137.3	68%	0.675	77%	0.771	S	S	*	*			trans	-138	170.6	148.1	20.9	1.9	0	0	0	115.4	Y236	Y236-P238 HydrophobicContact CD1-CG 4.28Å; Y236-P238 HydrophobicContact CE1-CG 3.65Å
239	K	22.6	Very low	27.3	Very low	201 Å²	201	135.3 Å²	135.3	87%	0.874	77%	0.765	S	S	*	*			trans	-113.7	-167.6	-176.9	-82.2	178.4	177.4	172.9	0	110
240	P	38.3	Very low	27.3	Very low	108 Å²	108	132.9 Å²	132.9	70%	0.701	75%	0.752	S	S	*	*				-136.1	178.5	-53.6	38.5	-23.4	0	0	0	113.5
241	Q	23.8	Very low	27.2	Very low	186 Å²	186	130 Å²	130	87%	0.869	74%	0.743	S	S	*	*			trans	175.3	155.2	146.4	-100.4	160.9	49.8	0	0	109.7
242	S	24.4	Very low	26.6	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	75%	0.751	S	S	*	*			cis	-162.4	162.5	-30.3	41.1	0	0	0	0	110.1
243	R	23.7	Very low	26.4	Very low	230 Å²	230	135 Å²	135	87%	0.868	76%	0.756	S	S	*	*			trans	-91.2	-177.3	-177.5	-54.2	175.4	168.4	176.8	-8.1	113.1
244	P	34.3	Very low	26.3	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	76%	0.758	S	S	*	*				-130.3	-179.1	70	41	-28.1	0	0	0	112.3
245	S	23.6	Very low	26.1	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	76%	0.756	S	S	*	*			cis	-130.3	177	7	-68.2	0	0	0	0	109.2
246	G	28	Very low	26.1	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	75%	0.749	S	S	*	*			cis	143.7	139.4	-0.2	0	0	0	0	0	108.5
247	S	30.4	Very low	26	Very low	77 Å²	77	143.4 Å²	143.4	54%	0.538	75%	0.75	S	S	.	*			cis	-145.2	-108.2	15.7	62.7	0	0	0	0	114.3	K905	S247-K905 PolarHBondContact O-NZ 3.07Å
248	Y	26.3	Very low	26	Very low	161 Å²	161	148.2 Å²	148.2	63%	0.631	75%	0.754	S	S	*	*			trans	-107.9	169.2	-141	-59	-39.2	0	0	0	115	K905	Y248-K905 WeakPolarHBondContact O-CE 3.45Å
249	L	27.6	Very low	26.1	Very low	119 Å²	119	149.4 Å²	149.4	62%	0.623	76%	0.762	S	S	*	*			cis	176.9	-170.7	-13.8	-89.7	173	0	0	0	104.5
250	N	24.8	Very low	26.1	Very low	108 Å²	108	143.9 Å²	143.9	58%	0.578	75%	0.754	S	S	*	*				-164.3	141	-57.4	-172.2	36.9	0	0	0	118	D908	N250-D908 PolarHBondContact N-OXT 3.49Å
251	S	25.3	Very low	25.4	Very low	82 Å²	82	149.9 Å²	149.9	57%	0.573	76%	0.762	S	S	*	*			trans	51.4	120.6	146.1	-73.6	0	0	0	0	124.4
252	R	25.6	Very low	25.4	Very low	244 Å²	244	151.6 Å²	151.6	92%	0.921	76%	0.761	S	S	*	*				52	111.2	126.7	-65.2	176.9	166.6	171.7	-2.5	120.7
253	G	22.8	Very low	25.3	Very low	83 Å²	83	157.2 Å²	157.2	86%	0.856	77%	0.766	S	S	*	*			trans	-112.7	167.6	154	0	0	0	0	0	113.7
254	R	23.3	Very low	25.2	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	76%	0.761	S	S	*	*			trans	-152.6	146.2	-177	-160.8	-168.7	-150.2	-137.2	9.7	113.5
255	R	22.3	Very low	24.7	Very low	206 Å²	206	151 Å²	151	78%	0.777	76%	0.76	S	S	*	*			trans	104.3	149	156.4	-55.5	177.3	-160.7	-136	7.3	117.8
256	I	22.8	Very low	25.3	Very low	138 Å²	138	150.5 Å²	150.5	71%	0.708	75%	0.754	S	S	*	*			trans	73.1	134.4	151.3	-72.8	156.2	0	0	0	116.1
257	R	22.6	Very low	25	Very low	231 Å²	231	155.2 Å²	155.2	87%	0.872	76%	0.757	S	S	*	*			cis	-155.6	168.4	-5.3	-120	176.9	-170.4	150.3	-2.1	111.7
258	K	24.1	Very low	24.6	Very low	193 Å²	193	157.4 Å²	157.4	84%	0.839	76%	0.763	S	S	*	*			trans	-83.9	159.9	165.8	-58.4	179.3	173.5	179.8	0	111
259	P	31	Very low	24.4	Very low	130 Å²	130	156.4 Å²	156.4	84%	0.844	77%	0.768	S	S	*	*				-149.9	-160.8	85.2	39.1	-19.3	0	0	0	114.5
260	A	22.9	Very low	24.3	Very low	85 Å²	85	154.8 Å²	154.8	70%	0.702	77%	0.767	S	S	*	*				-168.5	141.4	-76.3	0	0	0	0	0	114.8
261	R	24.6	Very low	24.4	Very low	233 Å²	233	158.1 Å²	158.1	88%	0.879	78%	0.779	S	S	*	*			trans	43.9	129.3	149.3	-64.1	175.9	169.4	-92.9	7.8	122.3
262	R	23.2	Very low	24.3	Very low	222 Å²	222	161 Å²	161	84%	0.838	79%	0.788	S	S	*	*				177.4	140.1	109.8	-96.4	169.1	-169.2	-110	3	110.3
263	R	21.3	Very low	24.1	Very low	226 Å²	226	157 Å²	157	85%	0.853	78%	0.78	S	S	*	*				52.4	139.5	97.3	-73.3	-168	176.1	-146.8	-0.3	114.5
264	S	21.3	Very low	24.2	Very low	109 Å²	109	157.5 Å²	157.5	76%	0.762	77%	0.77	S	S	*	*			cis	-170.7	165.5	4.7	32.9	0	0	0	0	112.1
265	S	24.2	Very low	24.8	Very low	112 Å²	112	152 Å²	152	78%	0.783	76%	0.764	S	S	*	*			trans	-77.4	162	164.2	-43.8	0	0	0	0	112.2
266	P	35.9	Very low	25.2	Very low	100 Å²	100	147.4 Å²	147.4	65%	0.649	76%	0.763	S	S	*	*				-152	-177.2	88.3	43.5	-25.5	0	0	0	116.4
267	E	23.1	Very low	25.4	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	76%	0.764	S	S	*	*			trans	35.1	151.1	135.8	-65.1	151.5	-168.5	0	0	121.4
268	N	21.9	Very low	25.7	Very low	123 Å²	123	143.5 Å²	143.5	66%	0.658	75%	0.749	S	S	*	*			cis	-170.1	168.8	-4.9	-116.2	33.9	0	0	0	110.4
269	D	22.3	Very low	25.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	74%	0.743	S	S	*	*			trans	51.2	158.3	144.2	-57.6	-25.5	0	0	0	122
270	S	25.8	Very low	25.8	Very low	85 Å²	85	143.6 Å²	143.6	59%	0.594	74%	0.737	S	S	*	*			cis	-168.4	167.9	-12.9	48.1	0	0	0	0	110.8
271	E	27	Very low	26	Very low	178 Å²	178	145.1 Å²	145.1	83%	0.832	73%	0.729	S	S	*	*			trans	62.9	159.9	154.7	-74.7	158.5	-164.8	0	0	118.9
272	D	21.4	Very low	26.4	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	72%	0.721	S	S	*	*			cis	-148.2	162.7	-25.6	-145.6	-17.7	0	0	0	105.6
273	E	22.9	Very low	26.3	Very low	160 Å²	160	142 Å²	142	75%	0.748	72%	0.722	S	S	*	*				171.5	178.2	71.9	-124.2	-93.6	76	0	0	108.1
274	S	25	Very low	26.7	Very low	94 Å²	94	135 Å²	135	66%	0.657	71%	0.712	S	S	*	*			trans	-134.9	162.6	172.1	-72.5	0	0	0	0	111.8
275	P	36	Very low	27.2	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	71%	0.711	S	S	*	*				-161.1	141.7	114.3	35.7	-14.8	0	0	0	119.3
276	S	29.2	Very low	27.3	Very low	109 Å²	109	140 Å²	140	76%	0.762	70%	0.703	S	S	*	*			trans	73	155.9	134.5	83.5	0	0	0	0	120.2
277	K	28.6	Very low	26.8	Very low	165 Å²	165	142 Å²	142	72%	0.717	71%	0.708	S	S	*	*			cis	-166.5	149	3.1	-134.4	173.1	-177.9	-157.1	0	115.2
278	E	28.3	Very low	27	Very low	123 Å²	123	142 Å²	142	58%	0.575	71%	0.708	S	S	*	*			trans	65.2	151.6	147.4	-84.2	170.4	-118.5	0	0	120.7
279	K	27.3	Very low	27.3	Very low	160 Å²	160	145.1 Å²	145.1	70%	0.696	72%	0.719	S	S	*	*			cis	-151.2	131.8	9.1	-115.3	-177.5	-172	86.8	0	109.1
280	K	28.9	Very low	27.4	Very low	165 Å²	165	142.4 Å²	142.4	72%	0.717	72%	0.716	S	S	*	*				82.2	146.9	86.8	-88.2	-159.5	164.1	-152.8	0	116.4
281	E	28	Very low	27.4	Very low	117 Å²	117	143.2 Å²	143.2	55%	0.547	73%	0.727	S	S	.	*			cis	-143.7	176.9	-9.1	-63.8	-154.4	133.8	0	0	107.4
282	K	33.2	Very low	27.2	Very low	164 Å²	164	140.2 Å²	140.2	71%	0.713	72%	0.717	S	S	*	*			cis	-158.9	-163	-4.8	-123	164.9	-162.6	153.8	0	105.3
283	R	21.7	Very low	27.5	Very low	225 Å²	225	143.6 Å²	143.6	85%	0.849	72%	0.719	S	S	*	*			cis	-154.2	126.7	5.4	-157.1	171.9	-176.4	-178.7	0.8	105.1
284	A	29.7	Very low	27.6	Very low	78 Å²	78	143.4 Å²	143.4	65%	0.645	72%	0.718	S	S	*	*				59	132.7	82.6	0	0	0	0	0	115.6
285	R	30.4	Very low	27.6	Very low	199 Å²	199	146.4 Å²	146.4	75%	0.751	72%	0.722	S	S	*	*			cis	-169.3	163.3	18.9	-122.6	163.8	172.4	-132.5	0.4	114.6
286	E	26.9	Very low	27.2	Very low	128 Å²	128	147.6 Å²	147.6	60%	0.598	72%	0.721	S	S	*	*			trans	65.2	150	144.4	-73.7	143.6	-170.8	0	0	123.1
287	D	25.3	Very low	27	Very low	141 Å²	141	149.9 Å²	149.9	75%	0.754	72%	0.719	S	S	*	*			cis	-172.6	173.4	-40.7	-111.7	-49.3	0	0	0	113.6
288	E	27.9	Very low	26.7	Very low	174 Å²	174	148.6 Å²	148.6	81%	0.813	72%	0.72	S	S	*	*			trans	66.5	114.3	155.5	-78.4	-177.6	-176.5	0	0	126.2
289	E	26.9	Very low	26.4	Very low	188 Å²	188	146.2 Å²	146.2	88%	0.879	73%	0.729	S	S	*	*				65.6	161.8	115.1	-115.1	-166.2	-155.7	0	0	128.2
290	A	25.2	Very low	26.3	Very low	83 Å²	83	147.7 Å²	147.7	69%	0.686	74%	0.738	S	S	*	*			trans	83.9	90.1	151.3	0	0	0	0	0	124
291	A	24.9	Very low	26.1	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	75%	0.745	S	S	*	*				67	127	110.9	0	0	0	0	0	125.9
292	D	24.1	Very low	26	Very low	115 Å²	115	142.4 Å²	142.4	62%	0.615	75%	0.752	S	S	*	*			trans	86.9	147.1	132.6	-153.7	25	0	0	0	122.8
293	R	26.8	Very low	25.6	Very low	214 Å²	214	144.3 Å²	144.3	81%	0.808	76%	0.763	S	S	*	*			trans	70.3	122.5	168.7	-43.7	-163.7	-178.8	-146	-14.8	118.7
294	Q	24.5	Very low	25.8	Very low	156 Å²	156	137.8 Å²	137.8	73%	0.729	76%	0.757	S	S	*	*			cis	94.4	136.7	18.7	-156.9	-170.4	-34.3	0	0	115.1
295	E	26.1	Very low	25.6	Very low	157 Å²	157	138.5 Å²	138.5	73%	0.734	76%	0.758	S	S	*	*			trans	76.3	152.4	173.9	-51.9	-155.1	161.7	0	0	117.6
296	L	27	Very low	25.5	Very low	138 Å²	138	137.5 Å²	137.5	72%	0.723	76%	0.762	S	S	*	*			cis	-170.2	179.9	-43.1	-113.9	168.6	0	0	0	108.8
297	H	24.3	Very low	25.3	Very low	156 Å²	156	134.7 Å²	134.7	72%	0.722	77%	0.767	S	S	*	*			trans	65.8	157.3	173	-75.3	-82.8	0	0	0	117.7
298	D	23	Very low	25.3	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	77%	0.774	S	S	*	*			cis	-169.5	156.1	-37.1	-113.8	4.6	0	0	0	111.1
299	G	23.4	Very low	25.2	Very low	73 Å²	73	137 Å²	137	75%	0.753	77%	0.773	S	S	*	*			trans	68.2	168.4	156.8	0	0	0	0	0	119.1
300	E	24.8	Very low	25.2	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	77%	0.768	S	S	*	*			cis	-163.3	144.8	-21.8	-164	176.3	176.3	0	0	109.7
301	A	25	Very low	25.4	Very low	105 Å²	105	138.7 Å²	138.7	87%	0.868	78%	0.775	S	S	*	*			trans	54.9	153.5	168	0	0	0	0	0	120
302	G	24.3	Very low	25.4	Very low	66 Å²	66	142.7 Å²	142.7	68%	0.68	78%	0.777	S	S	*	*			cis	173.5	161.3	-7.9	0	0	0	0	0	112
303	E	25.9	Very low	25.5	Very low	205 Å²	205	141.8 Å²	141.8	96%	0.958	79%	0.785	S	S	*	*			trans	58	149.7	159.3	-55.3	-179.1	175	0	0	118.8
304	A	25.4	Very low	25.5	Very low	87 Å²	87	140.8 Å²	140.8	72%	0.719	79%	0.79	S	S	*	*			cis	-134.7	171.1	-0.3	0	0	0	0	0	109
305	S	26	Very low	25.7	Very low	94 Å²	94	140.6 Å²	140.6	66%	0.657	79%	0.794	S	S	*	*				40	139	70.4	-83.9	0	0	0	0	115.1
306	E	27	Very low	25.7	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	80%	0.803	S	S	*	*			cis	-161.5	169.9	1.2	-138.6	150.8	-99.7	0	0	110.7
307	G	23.5	Very low	25.8	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	81%	0.806	S	S	*	*			trans	71.1	173.1	166.8	0	0	0	0	0	117.7
308	E	25.6	Very low	25.9	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	81%	0.812	S	S	*	*			cis	-154	-164.7	-22.6	-141.9	162.8	-149.2	0	0	111.2
309	E	26.5	Very low	26.2	Very low	171 Å²	171	143.2 Å²	143.2	80%	0.799	81%	0.811	S	S	*	*			trans	-74	157	-164.1	-61.2	172.6	160.8	0	0	116.1
310	V	26.8	Very low	26.3	Very low	129 Å²	129	148.4 Å²	148.4	78%	0.782	82%	0.815	S	S	*	*			trans	-142.6	124.9	141.6	-177.4	0	0	0	0	108.2	E312	V310-E312 HydrophobicContact CG1-CG 4.21Å
311	E	27.8	Very low	26.4	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	81%	0.811	S	S	*	*			trans	-95.1	144.9	157.1	-66.4	-154.6	138.9	0	0	109.2
312	E	24.9	Very low	26.4	Very low	185 Å²	185	148 Å²	148	86%	0.864	82%	0.816	S	S	*	*			trans	-127.5	132.5	161.1	-73.8	-175.7	160	0	0	108.7	V310	V310-E312 HydrophobicContact CG1-CG 4.21Å
313	A	27.1	Very low	26.5	Very low	96 Å²	96	148 Å²	148	79%	0.793	82%	0.817	S	S	*	*			trans	-97.9	164.6	164.7	0	0	0	0	0	109.2
314	E	27.6	Very low	26.4	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	81%	0.811	S	S	*	*			trans	-119.3	146	166.2	-70.1	-179.1	-173.5	0	0	108.2
315	D	27.7	Very low	26.5	Very low	152 Å²	152	148.9 Å²	148.9	81%	0.813	82%	0.816	S	S	*	*			trans	-77.9	157.9	-165.2	-48.5	-86.3	0	0	0	115.2
316	D	26.1	Very low	26.7	Very low	174 Å²	174	153.2 Å²	153.2	93%	0.93	83%	0.826	S	S	*	*			trans	-114.3	141.9	151.7	-92.4	-48.1	0	0	0	108.1
317	I	29.8	Very low	26.7	Very low	153 Å²	153	153 Å²	153	79%	0.785	83%	0.825	S	S	*	*			trans	-116.4	127.3	-173	-61.7	169	0	0	0	110.2
318	E	26.2	Very low	26.9	Very low	182 Å²	182	157.1 Å²	157.1	85%	0.85	83%	0.831	S	S	*	*			trans	-152.5	112.9	155.5	-126.1	171.5	-142.1	0	0	115.3
319	L	29.1	Very low	27	Very low	135 Å²	135	151.4 Å²	151.4	71%	0.707	82%	0.822	S	S	*	*			trans	49.1	129.5	141.6	-68.9	172.8	0	0	0	124.5
320	Q	26.3	Very low	27	Very low	183 Å²	183	154.3 Å²	154.3	86%	0.855	83%	0.826	S	S	*	*			trans	77.4	129.1	145.5	-65.4	171.8	29	0	0	120.2
321	G	25.3	Very low	27.6	Very low	78 Å²	78	153.1 Å²	153.1	80%	0.804	82%	0.821	S	S	*	*			trans	168.4	134.6	172	0	0	0	0	0	111.8
322	E	26.5	Very low	27.5	Very low	207 Å²	207	150 Å²	150	97%	0.967	82%	0.815	S	S	*	*			trans	-92.8	165.9	-175	-58.1	163.9	139.9	0	0	112.4
323	G	25.2	Very low	27.5	Very low	67 Å²	67	150 Å²	150	69%	0.691	82%	0.815	S	S	*	*			trans	122.5	87.6	155.3	0	0	0	0	0	119.2
324	D	25.2	Very low	27.4	Very low	157 Å²	157	149.3 Å²	149.3	84%	0.84	81%	0.808	S	S	*	*				44.4	165.8	122.3	-52.6	-28.8	0	0	0	125.1
325	D	26.6	Very low	27.3	Very low	153 Å²	153	146 Å²	146	82%	0.818	81%	0.807	S	S	*	*			trans	78.5	87.8	160	-61.3	-19.4	0	0	0	122.9
326	E	29.3	Very low	27.2	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	81%	0.808	S	S	*	*			trans	7.5	172.3	130.1	-57.5	-161.9	121.9	0	0	125.9
327	E	28.6	Very low	27.5	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	81%	0.805	S	S	*	*			trans	83.3	93.7	156	-70.5	-153.5	139.9	0	0	123.7
328	D	26.8	Very low	27.4	Very low	155 Å²	155	142 Å²	142	83%	0.829	80%	0.801	S	S	*	*				86.6	168	108.6	-155.5	26.6	0	0	0	121
329	G	28.3	Very low	27.5	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	79%	0.792	S	S	*	*			trans	133.6	23.1	162.1	0	0	0	0	0	119.9
330	R	25.9	Very low	27.7	Very low	232 Å²	232	142.8 Å²	142.8	88%	0.875	80%	0.801	S	S	*	*			trans	-93	135.5	173.6	-175.8	161.1	-165.6	-107.7	4.3	110.3
331	P	39	Very low	28	Very low	104 Å²	104	141.1 Å²	141.1	68%	0.675	80%	0.803	S	S	*	*				-161.2	-175	103.6	42.5	-21.7	0	0	0	118.8
332	T	25.3	Very low	28.6	Very low	114 Å²	114	146.3 Å²	146.3	70%	0.699	81%	0.807	S	S	*	*			trans	71	122.9	162.6	48.4	0	0	0	0	118.6
333	Q	26.5	Very low	28.9	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.864	80%	0.801	S	S	*	*			cis	95.5	140.5	40.1	-77.8	-176.3	12.2	0	0	112.9
334	A	23.5	Very low	29.4	Very low	80 Å²	80	147.9 Å²	147.9	66%	0.661	81%	0.806	S	S	*	*			cis	-168.4	174.3	-9.8	0	0	0	0	0	112.5
335	S	26.2	Very low	30.1	Very low	125 Å²	125	146.3 Å²	146.3	87%	0.874	81%	0.805	S	S	*	*			trans	75.1	141.2	161.9	-54.7	0	0	0	0	117.5
336	S	25	Very low	30.5	Very low	120 Å²	120	149.4 Å²	149.4	84%	0.839	81%	0.807	S	S	*	*			cis	-145.3	171.6	28.4	-163.9	0	0	0	0	115.4
337	M	33.8	Very low	31	Very low	174 Å²	174	145.1 Å²	145.1	86%	0.857	80%	0.797	S	S	*	*			trans	-63	162.1	-175	-62.1	-67.5	174.4	0	0	114
338	S	27	Very low	32.2	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	79%	0.789	S	S	*	*			cis	-163.8	134.5	43.2	-165.6	0	0	0	0	117.7
339	S	29	Very low	33.8	Very low	93 Å²	93	138 Å²	138	65%	0.65	78%	0.775	S	S	*	*			trans	55.4	118.9	139.5	66	0	0	0	0	124.4
340	R	33.1	Very low	35.6	Very low	239 Å²	239	138.3 Å²	138.3	90%	0.902	76%	0.763	S	S	*	*			trans	72.7	101.2	137.6	-68.7	-179.6	170.8	173	-2.9	121.3
341	T	32	Very low	37.7	Very low	148 Å²	148	129.7 Å²	129.7	91%	0.908	73%	0.733	S	S	*	*				-152.1	146	105.8	15	0	0	0	0	110.6
342	E	37.3	Very low	39	Very low	187 Å²	187	131.5 Å²	131.5	87%	0.874	73%	0.73	S	S	*	*			trans	-90	137.9	173.8	-62.8	-177.7	148.9	0	0	110.8
343	S	33.5	Very low	41.2	Very low	120 Å²	120	126.2 Å²	126.2	84%	0.839	70%	0.698	S	S	*	*			trans	-143.7	134.2	159.9	48.6	0	0	0	0	109.9
344	K	35	Very low	42.9	Very low	187 Å²	187	121 Å²	121	81%	0.813	69%	0.693	S	S	*	*			trans	-84.7	149.9	-169.7	-70.1	170.2	179.6	171.2	0	111.3	Y346	K344-Y346 PolarHBondContact O-N 3.32Å
345	P	39.6	Very low	44.5	Very low	124 Å²	124	122.2 Å²	122.2	81%	0.805	69%	0.688	S	S	*	*			trans	-61.4	136.5	174.2	26.5	-34.5	0	0	0	111	S347	P345-S347 PolarHBondContact O-N 2.98Å
346	Y	36.8	Very low	46.2	Very low	219 Å²	219	119 Å²	119	86%	0.859	67%	0.665	S	S	*	*			trans	-76.4	115.4	-177.4	-175.4	-92.9	0	0	0	110.8	K344 S348	K344-Y346 PolarHBondContact O-N 3.32Å; Y346-S348 PolarHBondContact O-N 3.07Å
347	S	39.2	Very low	48.3	Very low	94 Å²	94	115.7 Å²	115.7	66%	0.657	65%	0.65	S	S	*	*			trans	-73.3	117.7	179.1	48.7	0	0	0	0	111.5	P345 V349	P345-S347 PolarHBondContact O-N 2.98Å; S347-V349 PolarHBondContact O-N 2.9Å
348	S	53.5	Low	49.9	Very low	94 Å²	94	113.3 Å²	113.3	66%	0.657	64%	0.635	S	S	*	*			trans	-69.9	95.9	176.1	45.7	0	0	0	0	111.2	Y346 T350	Y346-S348 PolarHBondContact O-N 3.07Å; S348-T350 PolarHBondContact O-N 3.22Å; S348-T350 VanDerWaalsContact O-N 3.1Å
349	V	60.6	Low	51.9	Low	86 Å²	86	116 Å²	116	52%	0.521	63%	0.634	S	S	.	*			trans	-63.1	111.8	-176.8	-179	0	0	0	0	111.1	S347 H351	S347-V349 PolarHBondContact O-N 2.9Å; V349-H351 PolarHBondContact O-CD2 2.92Å; V349-H351 VanDerWaalsContact O-CD2 3.28Å; V349-H351 PolarHBondContact O-N 3.46Å
350	T	66.1	Low	54.2	Low	77 Å²	77	113.8 Å²	113.8	47%	0.472	61%	0.612	S	S	.	*			trans	-83.7	112.5	175.1	50.1	0	0	0	0	111	S348	S348-T350 PolarHBondContact O-N 3.22Å; S348-T350 VanDerWaalsContact O-N 3.1Å
351	H	70.6	Confident	55.9	Low	52 Å²	52	106.8 Å²	106.8	24%	0.241	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	125.6	178.4	-63.8	-84.4	0	0	0	110.4	V349 K359 F360 T363 F366	V349-H351 PolarHBondContact O-CD2 2.92Å; V349-H351 VanDerWaalsContact O-CD2 3.28Å; V349-H351 PolarHBondContact O-N 3.46Å; H351-K359 CarbonylContact O-C 3.57Å; H351-K359 WeakPolarHBondContact O-CA 3.32Å; H351-F360 PolarHBondContact N-O 2.9Å; H351-F360 PolarHBondContact O-N 2.86Å; H351-T363 WeakPolarHBondContact NE2-CG2 3.24Å; H351-F366 HydrophobicContact CB-CB 3.74Å; H351-F366 HydrophobicContact CB-CD1 3.78Å; H351-F366 HydrophobicContact CB-CD2 3.73Å; H351-F366 HydrophobicContact CB-CE1 4.32Å; H351-F366 HydrophobicContact CB-CE2 4.27Å; H351-F366 HydrophobicContact CB-CG 3.46Å; H351-F366 VanDerWaalsContact CB-CG 3.46Å
352	K	65	Low	57.8	Low	141 Å²	141	105.4 Å²	105.4	61%	0.613	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.7	133.5	179.9	-51.5	-179.3	-172.4	167.8	0	109.3	K358 K359 F366	K352-K358 WeakPolarHBondContact CA-O 3.36Å; K352-K359 HydrophobicContact CG-CG 4.24Å; K352-F366 WeakPolarHBondContact O-CE2 3.41Å
353	C	71.8	Confident	59.4	Low	4 Å²	4	100.4 Å²	100.4	3%	0.027	56%	0.562	C	S	.	*			trans	-79	129.3	171.8	169.5	0	0	0	0	110.2	D355 C356 G357 K358 F366 H369 M370 H373	C353-D355 PolarHBondContact SG-N 3.15Å; C353-D355 PolarHBondContact SG-OD2 2.74Å; C353-D355 VanDerWaalsContact SG-OD2 3.37Å; C353-C356 PolarHBondContact SG-N 3.15Å; C353-C356 VanDerWaalsContact SG-N 3.43Å; C353-G357 WeakPolarHBondContact O-CA 3.41Å; C353-G357 PolarHBondContact O-N 3.23Å; C353-K358 PolarHBondContact N-O 3.24Å; C353-F366 HydrophobicContact CB-CE2 4.14Å; C353-H369 WeakPolarHBondContact CB-NE2 3.46Å; C353-H369 PolarHBondContact SG-NE2 2.86Å; C353-H369 VanDerWaalsContact SG-NE2 3.41Å; C353-M370 HydrophobicContact CB-SD 4.14Å; C353-H373 VanDerWaalsContact SG-CD2 3.52Å; C353-H373 PolarHBondContact SG-NE2 3.31Å
354	G	62.4	Low	61	Low	74 Å²	74	96.9 Å²	96.9	76%	0.763	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-41.6	174.4	0	0	0	0	0	112.2	C356	G354-C356 VanDerWaalsContact C-N 3.34Å; G354-C356 PolarHBondContact O-N 2.9Å
355	D	57.6	Low	62.7	Low	107 Å²	107	90.7 Å²	90.7	57%	0.572	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.4	-168.6	-33.8	-75.7	0	0	0	113.9	C353 M370 H373	C353-D355 PolarHBondContact SG-N 3.15Å; C353-D355 PolarHBondContact SG-OD2 2.74Å; C353-D355 VanDerWaalsContact SG-OD2 3.37Å; D355-M370 VanDerWaalsContact OD2-CE 3.27Å; D355-M370 WeakPolarHBondContact OD2-CE 3.48Å; D355-H373 IonicContact OD2-CD2 3.56Å; D355-H373 PolarHBondContact OD2-CD2 2.78Å; D355-H373 IonicContact OD2-CG 2.76Å
356	C	60.7	Low	64.2	Low	56 Å²	56	86.9 Å²	86.9	38%	0.378	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	17.4	175.7	77.2	0	0	0	0	115.8	C353 G354 K358 H369	C353-C356 PolarHBondContact SG-N 3.15Å; C353-C356 VanDerWaalsContact SG-N 3.43Å; G354-C356 VanDerWaalsContact C-N 3.34Å; G354-C356 PolarHBondContact O-N 2.9Å; C356-K358 PolarHBondContact O-N 3.04Å; C356-H369 PolarHBondContact SG-CE1 3.46Å; C356-H369 PolarHBondContact SG-NE2 3.47Å
357	G	69.8	Low	65.7	Low	51 Å²	51	83.5 Å²	83.5	53%	0.526	48%	0.481	S	S	.	.			trans	69.3	-8.2	171.2	0	0	0	0	0	117.4	C353 K359	C353-G357 WeakPolarHBondContact O-CA 3.41Å; C353-G357 PolarHBondContact O-N 3.23Å; G357-K359 PolarHBondContact O-N 3.05Å
358	K	68.1	Low	67	Low	125 Å²	125	83.9 Å²	83.9	54%	0.543	47%	0.468	S	S	.	.			trans	-63.7	133.5	-175.1	-69.3	178.4	-175.5	176.1	0	111.8	K352 C353 C356 F360	K352-K358 WeakPolarHBondContact CA-O 3.36Å; C353-K358 PolarHBondContact N-O 3.24Å; C356-K358 PolarHBondContact O-N 3.04Å; K358-F360 HydrophobicContact CB-CE2 3.54Å; K358-F360 HydrophobicContact CB-CZ 3.77Å; K358-F360 WeakPolarHBondContact O-CD2 3.46Å; K358-F360 WeakPolarHBondContact O-CE2 3.42Å
359	K	67.9	Low	67.8	Low	158 Å²	158	80 Å²	80	69%	0.687	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.3	-179.2	-48.6	178.3	-170.9	166.1	0	109.9	H351 K352 G357	H351-K359 CarbonylContact O-C 3.57Å; H351-K359 WeakPolarHBondContact O-CA 3.32Å; K352-K359 HydrophobicContact CG-CG 4.24Å; G357-K359 PolarHBondContact O-N 3.05Å
360	F	77.3	Confident	68	Low	46 Å²	46	78.3 Å²	78.3	20%	0.202	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.8	-179.1	-60.5	-89.2	0	0	0	110.7	H351 K358 N365 F366 H369	H351-F360 PolarHBondContact N-O 2.9Å; H351-F360 PolarHBondContact O-N 2.86Å; K358-F360 HydrophobicContact CB-CE2 3.54Å; K358-F360 HydrophobicContact CB-CZ 3.77Å; K358-F360 WeakPolarHBondContact O-CD2 3.46Å; K358-F360 WeakPolarHBondContact O-CE2 3.42Å; F360-N365 HydrophobicContact CD1-CB 3.99Å; F360-F366 HydrophobicContact CB-CB 4.08Å; F360-F366 HydrophobicContact CD2-CB 4.44Å; F360-F366 AromaticContact CD2-CD2 3.92Å; F360-F366 HydrophobicContact CD2-CD2 3.92Å; F360-F366 HydrophobicContact CG-CB 4.38Å; F360-H369 HydrophobicContact CE1-CB 3.96Å; F360-H369 HydrophobicContact CE2-CB 3.87Å; F360-H369 AromaticContact CE2-CD2 3.2Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.38Å; F360-H369 AromaticContact CE2-CG 3.53Å; F360-H369 AromaticContact CE2-NE2 3.92Å; F360-H369 HydrophobicContact CZ-CB 3.48Å; F360-H369 VanDerWaalsContact CZ-CB 3.48Å; F360-H369 AromaticContact CZ-CD2 3.46Å; F360-H369 VanDerWaalsContact CZ-CD2 3.46Å; F360-H369 WeakPolarHBondContact CZ-CD2 3.39Å; F360-H369 AromaticContact CZ-CG 3.26Å; F360-H369 AromaticContact CZ-ND1 3.85Å
361	T	69.9	Low	68.2	Low	92 Å²	92	77.5 Å²	77.5	56%	0.564	41%	0.414	S	S	*	.	S	Bend	trans	-76	-19.9	177.8	47.9	0	0	0	0	113.8
362	H	70.3	Confident	67.8	Low	120 Å²	120	80.4 Å²	80.4	56%	0.556	43%	0.431	S	S	*	.	S	Bend	trans	-123.4	133.2	-179.3	-67.1	-84.6	0	0	0	112.5	G364 N365 F366	H362-G364 PolarHBondContact O-N 2.85Å; H362-N365 HydrophobicContact CB-CB 4.45Å; H362-N365 PolarHBondContact O-N 2.88Å; H362-F366 PolarHBondContact O-N 3Å
363	T	71.8	Confident	67.5	Low	82 Å²	82	77.4 Å²	77.4	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-49	-40.5	172.1	50	0	0	0	0	113.4	H351 F366 K367	H351-T363 WeakPolarHBondContact NE2-CG2 3.24Å; T363-F366 PolarHBondContact O-N 3.45Å; T363-K367 WeakPolarHBondContact O-CB 3.49Å; T363-K367 WeakPolarHBondContact O-CG 3.32Å; T363-K367 PolarHBondContact O-N 3.22Å
364	G	67.9	Low	67	Low	45 Å²	45	81.1 Å²	81.1	46%	0.464	44%	0.441	S	S	.	.	H	α-helix	trans	-65.3	-40.5	178.3	0	0	0	0	0	113.2	H362 R368	H362-G364 PolarHBondContact O-N 2.85Å; G364-R368 VanDerWaalsContact O-CB 3.29Å; G364-R368 WeakPolarHBondContact O-CB 3.39Å; G364-R368 PolarHBondContact O-N 2.75Å
365	N	69.6	Low	66.8	Low	57 Å²	57	79.7 Å²	79.7	31%	0.305	43%	0.426	S	S	.	.	H	α-helix	trans	-70.1	-39.3	175.6	-72.6	-23.4	0	0	0	111.4	F360 H362 R368 H369	F360-N365 HydrophobicContact CD1-CB 3.99Å; H362-N365 HydrophobicContact CB-CB 4.45Å; H362-N365 PolarHBondContact O-N 2.88Å; N365-R368 PolarHBondContact O-N 2.94Å; N365-R368 PolarHBondContact OD1-NH2 3.16Å; N365-H369 WeakPolarHBondContact O-CB 3.27Å; N365-H369 PolarHBondContact O-N 3.03Å
366	F	71.4	Confident	66.9	Low	44 Å²	44	80 Å²	80	19%	0.193	42%	0.424	C	S	.	.	H	α-helix	trans	-61.3	-52	173.2	179.7	-115.8	0	0	0	112.3	H351 K352 C353 F360 H362 T363 R368 H369 M370	H351-F366 HydrophobicContact CB-CB 3.74Å; H351-F366 HydrophobicContact CB-CD1 3.78Å; H351-F366 HydrophobicContact CB-CD2 3.73Å; H351-F366 HydrophobicContact CB-CE1 4.32Å; H351-F366 HydrophobicContact CB-CE2 4.27Å; H351-F366 HydrophobicContact CB-CG 3.46Å; H351-F366 VanDerWaalsContact CB-CG 3.46Å; K352-F366 WeakPolarHBondContact O-CE2 3.41Å; C353-F366 HydrophobicContact CB-CE2 4.14Å; F360-F366 HydrophobicContact CB-CB 4.08Å; F360-F366 HydrophobicContact CD2-CB 4.44Å; F360-F366 AromaticContact CD2-CD2 3.92Å; F360-F366 HydrophobicContact CD2-CD2 3.92Å; F360-F366 HydrophobicContact CG-CB 4.38Å; H362-F366 PolarHBondContact O-N 3Å; T363-F366 PolarHBondContact O-N 3.45Å; F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 3.24Å; F366-H369 CarbonylContact O-C 3.52Å; F366-H369 WeakPolarHBondContact O-CA 3.43Å; F366-H369 WeakPolarHBondContact O-CB 3.35Å; F366-H369 PolarHBondContact O-N 3.21Å; F366-M370 HydrophobicContact CD1-CG 4.45Å; F366-M370 HydrophobicContact CD2-CG 4.32Å; F366-M370 HydrophobicContact CD2-SD 4.46Å; F366-M370 HydrophobicContact CE1-CG 4.07Å; F366-M370 HydrophobicContact CE2-CG 3.92Å; F366-M370 HydrophobicContact CE2-SD 3.66Å; F366-M370 HydrophobicContact CZ-CG 3.79Å; F366-M370 HydrophobicContact CZ-SD 3.72Å; F366-M370 WeakPolarHBondContact O-CG 3.48Å; F366-M370 PolarHBondContact O-N 2.87Å
367	K	68.9	Low	67	Low	149 Å²	149	83.3 Å²	83.3	65%	0.648	43%	0.432	S	S	*	.	H	α-helix	trans	-59.9	-40.3	176.9	-74.1	-178.4	177.6	-174.4	0	112.2	T363 H369 M370 R371	T363-K367 WeakPolarHBondContact O-CB 3.49Å; T363-K367 WeakPolarHBondContact O-CG 3.32Å; T363-K367 PolarHBondContact O-N 3.22Å; K367-H369 VanDerWaalsContact C-N 3.33Å; K367-H369 PolarHBondContact O-N 2.8Å; K367-M370 PolarHBondContact O-N 3.07Å; K367-R371 PolarHBondContact O-N 2.95Å
368	R	65.5	Low	66.8	Low	102 Å²	102	84.4 Å²	84.4	39%	0.385	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-44.3	171.1	159.1	161.3	59.8	168.4	-0.3	111.9	G364 N365 F366 R371 D390	G364-R368 VanDerWaalsContact O-CB 3.29Å; G364-R368 WeakPolarHBondContact O-CB 3.39Å; G364-R368 PolarHBondContact O-N 2.75Å; N365-R368 PolarHBondContact O-N 2.94Å; N365-R368 PolarHBondContact OD1-NH2 3.16Å; F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 3.24Å; R368-R371 PolarHBondContact O-N 3.24Å; R368-D390 WeakPolarHBondContact CD-OD1 3.21Å; R368-D390 WeakPolarHBondContact CD-OD2 3.45Å; R368-D390 WeakPolarHBondContact CG-OD1 3.45Å; R368-D390 IonicContact CZ-OD2 2.66Å; R368-D390 IonicContact NE-OD2 3.55Å; R368-D390 IonicContact NH1-OD2 2.67Å; R368-D390 PolarHBondContact NH1-OD2 3.36Å
369	H	70.6	Confident	66.8	Low	12 Å²	12	81.7 Å²	81.7	6%	0.056	42%	0.418	C	S	.	.	H	α-helix	trans	-68.7	-39.9	179.8	171.3	58.8	0	0	0	112.9	C353 C356 F360 N365 F366 K367 R371 I372 H373	C353-H369 WeakPolarHBondContact CB-NE2 3.46Å; C353-H369 PolarHBondContact SG-NE2 2.86Å; C353-H369 VanDerWaalsContact SG-NE2 3.41Å; C356-H369 PolarHBondContact SG-CE1 3.46Å; C356-H369 PolarHBondContact SG-NE2 3.47Å; F360-H369 HydrophobicContact CE1-CB 3.96Å; F360-H369 HydrophobicContact CE2-CB 3.87Å; F360-H369 AromaticContact CE2-CD2 3.2Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.38Å; F360-H369 AromaticContact CE2-CG 3.53Å; F360-H369 AromaticContact CE2-NE2 3.92Å; F360-H369 HydrophobicContact CZ-CB 3.48Å; F360-H369 VanDerWaalsContact CZ-CB 3.48Å; F360-H369 AromaticContact CZ-CD2 3.46Å; F360-H369 VanDerWaalsContact CZ-CD2 3.46Å; F360-H369 WeakPolarHBondContact CZ-CD2 3.39Å; F360-H369 AromaticContact CZ-CG 3.26Å; F360-H369 AromaticContact CZ-ND1 3.85Å; N365-H369 WeakPolarHBondContact O-CB 3.27Å; N365-H369 PolarHBondContact O-N 3.03Å; F366-H369 CarbonylContact O-C 3.52Å; F366-H369 WeakPolarHBondContact O-CA 3.43Å; F366-H369 WeakPolarHBondContact O-CB 3.35Å; F366-H369 PolarHBondContact O-N 3.21Å; K367-H369 VanDerWaalsContact C-N 3.33Å; K367-H369 PolarHBondContact O-N 2.8Å; H369-R371 PolarHBondContact O-N 3.04Å; H369-I372 WeakPolarHBondContact O-CB 3.46Å; H369-I372 WeakPolarHBondContact O-CG1 3.23Å; H369-I372 PolarHBondContact O-N 2.69Å; H369-H373 AromaticContact CE1-CE1 3.93Å; H369-H373 AromaticContact CE1-NE2 3.37Å; H369-H373 PolarHBondContact CE1-NE2 3.28Å; H369-H373 AromaticContact NE2-NE2 3.2Å; H369-H373 PolarHBondContact NE2-NE2 3.25Å
370	M	64.9	Low	66.2	Low	50 Å²	50	77.5 Å²	77.5	25%	0.246	41%	0.409	C	S	.	.	H	α-helix	trans	-60.2	-29.7	177	-66.1	-55.6	-61.1	0	0	112.7	C353 D355 F366 K367 I372 H373 T374	C353-M370 HydrophobicContact CB-SD 4.14Å; D355-M370 VanDerWaalsContact OD2-CE 3.27Å; D355-M370 WeakPolarHBondContact OD2-CE 3.48Å; F366-M370 HydrophobicContact CD1-CG 4.45Å; F366-M370 HydrophobicContact CD2-CG 4.32Å; F366-M370 HydrophobicContact CD2-SD 4.46Å; F366-M370 HydrophobicContact CE1-CG 4.07Å; F366-M370 HydrophobicContact CE2-CG 3.92Å; F366-M370 HydrophobicContact CE2-SD 3.66Å; F366-M370 HydrophobicContact CZ-CG 3.79Å; F366-M370 HydrophobicContact CZ-SD 3.72Å; F366-M370 WeakPolarHBondContact O-CG 3.48Å; F366-M370 PolarHBondContact O-N 2.87Å; K367-M370 PolarHBondContact O-N 3.07Å; M370-I372 PolarHBondContact O-N 2.86Å; M370-I372 VanDerWaalsContact O-N 3.15Å; M370-H373 PolarHBondContact O-N 3.23Å; M370-T374 PolarHBondContact O-N 3.33Å
371	R	69.6	Low	65.7	Low	61 Å²	61	75.3 Å²	75.3	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-64.5	-11.5	172	-68.9	-169.1	-63.3	-129.4	0.3	114.9	K367 R368 H369 T374 G375 E376 S389	K367-R371 PolarHBondContact O-N 2.95Å; R368-R371 PolarHBondContact O-N 3.24Å; H369-R371 PolarHBondContact O-N 3.04Å; R371-T374 WeakPolarHBondContact CA-OG1 3.42Å; R371-G375 PolarHBondContact O-N 2.79Å; R371-E376 HydrophobicContact CG-CB 4.35Å; R371-S389 PolarHBondContact NE-O 3.15Å; R371-S389 PolarHBondContact NH2-O 3.44Å
372	I	62.9	Low	65.4	Low	113 Å²	113	81.4 Å²	81.4	58%	0.579	41%	0.412	S	S	*	.	H	α-helix	trans	-74.2	-33.9	169.9	-55.9	179.2	0	0	0	110.2	H369 M370	H369-I372 WeakPolarHBondContact O-CB 3.46Å; H369-I372 WeakPolarHBondContact O-CG1 3.23Å; H369-I372 PolarHBondContact O-N 2.69Å; M370-I372 PolarHBondContact O-N 2.86Å; M370-I372 VanDerWaalsContact O-N 3.15Å
373	H	59	Low	64.8	Low	77 Å²	77	81 Å²	81	36%	0.356	41%	0.414	S	S	.	.	H	α-helix	trans	-87.9	-38.7	-179.7	-52.5	-50.3	0	0	0	112.5	C353 D355 H369 M370 G375	C353-H373 VanDerWaalsContact SG-CD2 3.52Å; C353-H373 PolarHBondContact SG-NE2 3.31Å; D355-H373 IonicContact OD2-CD2 3.56Å; D355-H373 PolarHBondContact OD2-CD2 2.78Å; D355-H373 IonicContact OD2-CG 2.76Å; H369-H373 AromaticContact CE1-CE1 3.93Å; H369-H373 AromaticContact CE1-NE2 3.37Å; H369-H373 PolarHBondContact CE1-NE2 3.28Å; H369-H373 AromaticContact NE2-NE2 3.2Å; H369-H373 PolarHBondContact NE2-NE2 3.25Å; M370-H373 PolarHBondContact O-N 3.23Å; H373-G375 PolarHBondContact O-N 2.92Å
374	T	61.1	Low	64.3	Low	83 Å²	83	79.1 Å²	79.1	51%	0.509	40%	0.403	S	S	.	.	S	Bend	trans	-73.7	-11.1	173.7	66	0	0	0	0	113.2	M370 R371 E376	M370-T374 PolarHBondContact O-N 3.33Å; R371-T374 WeakPolarHBondContact CA-OG1 3.42Å; T374-E376 PolarHBondContact O-N 2.84Å; T374-E376 VanDerWaalsContact O-N 3.09Å; T374-E376 WeakPolarHBondContact OG1-CG 3.47Å; T374-E376 PolarHBondContact OG1-OE2 2.88Å
375	G	58.1	Low	63.8	Low	43 Å²	43	83.2 Å²	83.2	44%	0.443	42%	0.415	S	S	.	.			trans	71.3	-5	-178.6	0	0	0	0	0	115.1	R371 H373 K377	R371-G375 PolarHBondContact O-N 2.79Å; H373-G375 PolarHBondContact O-N 2.92Å; G375-K377 PolarHBondContact O-N 3Å
376	E	58.9	Low	63.3	Low	115 Å²	115	86.3 Å²	86.3	54%	0.537	43%	0.425	S	S	.	.			trans	-62.5	128.3	-176.6	-67.4	173.8	141.3	0	0	112.3	R371 T374	R371-E376 HydrophobicContact CG-CB 4.35Å; T374-E376 PolarHBondContact O-N 2.84Å; T374-E376 VanDerWaalsContact O-N 3.09Å; T374-E376 WeakPolarHBondContact OG1-CG 3.47Å; T374-E376 PolarHBondContact OG1-OE2 2.88Å
377	K	62.7	Low	63	Low	125 Å²	125	86.2 Å²	86.2	54%	0.543	43%	0.433	S	S	.	.			trans	-128	76.6	-178.7	-71.2	157.2	-177.9	168.9	0	110.3	G375 F379 A387 F388	G375-K377 PolarHBondContact O-N 3Å; K377-F379 PolarHBondContact O-N 3.11Å; K377-F379 VanDerWaalsContact O-N 3.09Å; K377-A387 HydrophobicContact CB-CB 3.47Å; K377-A387 VanDerWaalsContact CB-CB 3.47Å; K377-A387 HydrophobicContact CD-CB 4.2Å; K377-A387 HydrophobicContact CG-CB 4.39Å; K377-F388 CarbonylContact C-O 3.6Å; K377-F388 VanDerWaalsContact C-O 3.26Å; K377-F388 WeakPolarHBondContact CA-O 3.45Å
378	P	67.3	Low	63.1	Low	74 Å²	74	81.6 Å²	81.6	48%	0.481	41%	0.413	S	S	.	.			trans	-67.8	-11.9	-169.6	-21	34.1	0	0	0	114.9
379	F	67.8	Low	63.1	Low	68 Å²	68	78.3 Å²	78.3	30%	0.298	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	91.1	-173.5	-52.4	-73.2	0	0	0	110.1	K377 F388 P391 C394	K377-F379 PolarHBondContact O-N 3.11Å; K377-F379 VanDerWaalsContact O-N 3.09Å; F379-F388 PolarHBondContact N-O 3.09Å; F379-F388 PolarHBondContact O-N 3.36Å; F379-P391 HydrophobicContact CD1-CB 4.25Å; F379-P391 HydrophobicContact CD1-CG 4.09Å; F379-P391 HydrophobicContact CD2-CG 4.09Å; F379-P391 HydrophobicContact CE1-CB 4.34Å; F379-P391 HydrophobicContact CE1-CG 3.78Å; F379-P391 HydrophobicContact CE2-CG 3.78Å; F379-P391 HydrophobicContact CG-CB 4.45Å; F379-P391 HydrophobicContact CG-CG 4.25Å; F379-P391 HydrophobicContact CZ-CG 3.63Å; F379-C394 HydrophobicContact CB-CB 3.92Å
380	S	54.6	Low	63.3	Low	70 Å²	70	78.8 Å²	78.8	49%	0.49	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.6	173.6	49.3	0	0	0	0	111.7	R382	S380-R382 PolarHBondContact O-N 3.16Å
381	C	66.1	Low	63.6	Low	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.42	C	S	.	.			trans	-77.6	117.6	174.5	177.3	0	0	0	0	110	D383 C384 N385 K386 F388 E398 H401	C381-D383 PolarHBondContact O-N 2.98Å; C381-D383 VanDerWaalsContact O-N 3.16Å; C381-C384 PolarHBondContact O-N 3.11Å; C381-N385 WeakPolarHBondContact O-CA 3.4Å; C381-N385 PolarHBondContact O-N 3.31Å; C381-K386 PolarHBondContact N-O 3.35Å; C381-F388 HydrophobicContact CB-CE2 4.21Å; C381-E398 HydrophobicContact CB-CG 4.41Å; C381-E398 VanDerWaalsContact SG-CG 3.54Å; C381-H401 PolarHBondContact SG-CD2 2.98Å
382	R	63.7	Low	63.7	Low	220 Å²	220	80.4 Å²	80.4	83%	0.83	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.7	-169.9	-56.3	-177.4	80.2	152.7	2.8	113.7	S380	S380-R382 PolarHBondContact O-N 3.16Å
383	D	58.2	Low	64	Low	110 Å²	110	76.9 Å²	76.9	59%	0.588	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.9	-175.9	-49.5	-36	0	0	0	114.6	C381 H401	C381-D383 PolarHBondContact O-N 2.98Å; C381-D383 VanDerWaalsContact O-N 3.16Å; D383-H401 HydrophobicContact CB-CB 4.17Å; D383-H401 WeakPolarHBondContact OD2-CB 3.43Å; D383-H401 IonicContact OD2-CD2 3.81Å; D383-H401 PolarHBondContact OD2-CD2 3.24Å; D383-H401 IonicContact OD2-CG 2.75Å
384	C	61.1	Low	64.5	Low	43 Å²	43	73.5 Å²	73.5	29%	0.291	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.2	9.6	-177.4	80	0	0	0	0	116.1	C381 K386 H397 H401	C381-C384 PolarHBondContact O-N 3.11Å; C384-K386 PolarHBondContact O-N 3.27Å; C384-H397 PolarHBondContact SG-NE2 3.15Å; C384-H401 WeakPolarHBondContact CB-NE2 3.47Å; C384-H401 PolarHBondContact SG-NE2 3.5Å
385	N	57.7	Low	64.9	Low	131 Å²	131	76.3 Å²	76.3	70%	0.701	42%	0.415	S	S	*	.			trans	53.4	20.5	178.3	-64.7	-31.2	0	0	0	115.8	C381 A387	C381-N385 WeakPolarHBondContact O-CA 3.4Å; C381-N385 PolarHBondContact O-N 3.31Å; N385-A387 PolarHBondContact O-N 3.1Å
386	K	59.7	Low	65.3	Low	122 Å²	122	76.1 Å²	76.1	53%	0.53	41%	0.409	S	S	.	.			trans	-72.6	123.3	168.8	-74.4	-178	-179	-178.6	0	109.7	C381 C384 F388	C381-K386 PolarHBondContact N-O 3.35Å; C384-K386 PolarHBondContact O-N 3.27Å; K386-F388 HydrophobicContact CB-CE2 3.76Å; K386-F388 HydrophobicContact CB-CZ 4.01Å; K386-F388 WeakPolarHBondContact O-CD2 3.21Å; K386-F388 WeakPolarHBondContact O-CE2 3.45Å
387	A	65.6	Low	65.9	Low	43 Å²	43	72.1 Å²	72.1	36%	0.355	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.3	-177.7	0	0	0	0	0	111.4	K377 N385	K377-A387 HydrophobicContact CB-CB 3.47Å; K377-A387 VanDerWaalsContact CB-CB 3.47Å; K377-A387 HydrophobicContact CD-CB 4.2Å; K377-A387 HydrophobicContact CG-CB 4.39Å; N385-A387 PolarHBondContact O-N 3.1Å
388	F	70.1	Confident	66.1	Low	51 Å²	51	69.5 Å²	69.5	22%	0.224	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.9	-177.3	-61.3	-90.6	0	0	0	111.3	K377 F379 C381 K386 D390 A393 C394 H397	K377-F388 CarbonylContact C-O 3.6Å; K377-F388 VanDerWaalsContact C-O 3.26Å; K377-F388 WeakPolarHBondContact CA-O 3.45Å; F379-F388 PolarHBondContact N-O 3.09Å; F379-F388 PolarHBondContact O-N 3.36Å; C381-F388 HydrophobicContact CB-CE2 4.21Å; K386-F388 HydrophobicContact CB-CE2 3.76Å; K386-F388 HydrophobicContact CB-CZ 4.01Å; K386-F388 WeakPolarHBondContact O-CD2 3.21Å; K386-F388 WeakPolarHBondContact O-CE2 3.45Å; F388-D390 PolarHBondContact O-N 2.83Å; F388-A393 HydrophobicContact CD1-CB 4.16Å; F388-C394 HydrophobicContact CB-CB 4.22Å; F388-C394 HydrophobicContact CD2-CB 3.89Å; F388-C394 HydrophobicContact CG-CB 4.25Å; F388-H397 HydrophobicContact CE1-CB 4.21Å; F388-H397 HydrophobicContact CE2-CB 3.91Å; F388-H397 AromaticContact CE2-CD2 3.36Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.23Å; F388-H397 AromaticContact CE2-CG 3.78Å; F388-H397 HydrophobicContact CZ-CB 3.58Å; F388-H397 AromaticContact CZ-CD2 3.32Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.17Å; F388-H397 AromaticContact CZ-CG 3.37Å
389	S	64.9	Low	66.2	Low	34 Å²	34	72 Å²	72	24%	0.238	38%	0.384	C	S	.	.	S	Bend	trans	-69.4	-15.4	169.8	59.5	0	0	0	0	113.1	R371	R371-S389 PolarHBondContact NE-O 3.15Å; R371-S389 PolarHBondContact NH2-O 3.44Å
390	D	74.9	Confident	65.8	Low	21 Å²	21	70.7 Å²	70.7	11%	0.112	38%	0.381	C	S	.	.			trans	-134.4	127.1	-159.7	-85.6	50.4	0	0	0	111.6	R368 F388 A392 A393 C394	R368-D390 WeakPolarHBondContact CD-OD1 3.21Å; R368-D390 WeakPolarHBondContact CD-OD2 3.45Å; R368-D390 WeakPolarHBondContact CG-OD1 3.45Å; R368-D390 IonicContact CZ-OD2 2.66Å; R368-D390 IonicContact NE-OD2 3.55Å; R368-D390 IonicContact NH1-OD2 2.67Å; R368-D390 PolarHBondContact NH1-OD2 3.36Å; F388-D390 PolarHBondContact O-N 2.83Å; D390-A392 VanDerWaalsContact C-N 3.3Å; D390-A392 PolarHBondContact O-N 3.3Å; D390-A393 HydrophobicContact CB-CB 3.6Å; D390-A393 PolarHBondContact O-N 3.35Å; D390-C394 PolarHBondContact O-N 2.92Å
391	P	71.1	Confident	66.1	Low	73 Å²	73	71.1 Å²	71.1	47%	0.474	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-40.6	174.9	-15.4	24.8	0	0	0	111.9	F379 A393 C394 K395	F379-P391 HydrophobicContact CD1-CB 4.25Å; F379-P391 HydrophobicContact CD1-CG 4.09Å; F379-P391 HydrophobicContact CD2-CG 4.09Å; F379-P391 HydrophobicContact CE1-CB 4.34Å; F379-P391 HydrophobicContact CE1-CG 3.78Å; F379-P391 HydrophobicContact CE2-CG 3.78Å; F379-P391 HydrophobicContact CG-CB 4.45Å; F379-P391 HydrophobicContact CG-CG 4.25Å; F379-P391 HydrophobicContact CZ-CG 3.63Å; P391-A393 PolarHBondContact O-N 3.34Å; P391-C394 PolarHBondContact O-N 2.93Å; P391-K395 WeakPolarHBondContact O-CB 3.39Å; P391-K395 PolarHBondContact O-N 2.87Å
392	A	71.7	Confident	65.9	Low	73 Å²	73	73.4 Å²	73.4	60%	0.603	39%	0.391	S	S	*	.	H	α-helix	trans	-66.1	-36.4	179.1	0	0	0	0	0	112.3	D390 A396	D390-A392 VanDerWaalsContact C-N 3.3Å; D390-A392 PolarHBondContact O-N 3.3Å; A392-A396 VanDerWaalsContact O-CB 3.23Å; A392-A396 WeakPolarHBondContact O-CB 3.34Å; A392-A396 PolarHBondContact O-N 3.31Å
393	A	69.1	Low	65.6	Low	39 Å²	39	68 Å²	68	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-70.9	-41.2	175.1	0	0	0	0	0	111.5	F388 D390 P391 A396 H397	F388-A393 HydrophobicContact CD1-CB 4.16Å; D390-A393 HydrophobicContact CB-CB 3.6Å; D390-A393 PolarHBondContact O-N 3.35Å; P391-A393 PolarHBondContact O-N 3.34Å; A393-A396 PolarHBondContact O-N 3.49Å; A393-H397 WeakPolarHBondContact O-CB 3.24Å; A393-H397 PolarHBondContact O-N 3.04Å
394	C	69.9	Low	65.3	Low	6 Å²	6	68.6 Å²	68.6	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-50.8	173.6	-163.3	0	0	0	0	111	F379 F388 D390 P391 A396 H397 E398	F379-C394 HydrophobicContact CB-CB 3.92Å; F388-C394 HydrophobicContact CB-CB 4.22Å; F388-C394 HydrophobicContact CD2-CB 3.89Å; F388-C394 HydrophobicContact CG-CB 4.25Å; D390-C394 PolarHBondContact O-N 2.92Å; P391-C394 PolarHBondContact O-N 2.93Å; C394-A396 PolarHBondContact O-N 3.04Å; C394-H397 CarbonylContact O-C 3.59Å; C394-H397 WeakPolarHBondContact O-CA 3.42Å; C394-H397 WeakPolarHBondContact O-CB 3.4Å; C394-H397 PolarHBondContact O-N 3.12Å; C394-E398 WeakPolarHBondContact O-CG 3.29Å; C394-E398 PolarHBondContact O-N 2.97Å
395	K	69	Low	65.4	Low	141 Å²	141	71.8 Å²	71.8	61%	0.613	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-21.5	178.2	-162.5	168.1	-173.2	172.2	0	113.9	P391 E398 K399	P391-K395 WeakPolarHBondContact O-CB 3.39Å; P391-K395 PolarHBondContact O-N 2.87Å; K395-E398 WeakPolarHBondContact CA-OE2 3.27Å; K395-K399 WeakPolarHBondContact O-CG 3.34Å
396	A	67.9	Low	65.8	Low	39 Å²	39	69.5 Å²	69.5	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-81.4	-26.2	168.6	0	0	0	0	0	112.9	A392 A393 C394	A392-A396 VanDerWaalsContact O-CB 3.23Å; A392-A396 WeakPolarHBondContact O-CB 3.34Å; A392-A396 PolarHBondContact O-N 3.31Å; A393-A396 PolarHBondContact O-N 3.49Å; C394-A396 PolarHBondContact O-N 3.04Å
397	H	70.9	Confident	66.3	Low	31 Å²	31	68.2 Å²	68.2	14%	0.144	38%	0.381	C	S	.	.	H	α-helix	trans	-81	-37.4	174.8	180	53.7	0	0	0	113.1	C384 F388 A393 C394 K399 T400 H401	C384-H397 PolarHBondContact SG-NE2 3.15Å; F388-H397 HydrophobicContact CE1-CB 4.21Å; F388-H397 HydrophobicContact CE2-CB 3.91Å; F388-H397 AromaticContact CE2-CD2 3.36Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.23Å; F388-H397 AromaticContact CE2-CG 3.78Å; F388-H397 HydrophobicContact CZ-CB 3.58Å; F388-H397 AromaticContact CZ-CD2 3.32Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.17Å; F388-H397 AromaticContact CZ-CG 3.37Å; A393-H397 WeakPolarHBondContact O-CB 3.24Å; A393-H397 PolarHBondContact O-N 3.04Å; C394-H397 CarbonylContact O-C 3.59Å; C394-H397 WeakPolarHBondContact O-CA 3.42Å; C394-H397 WeakPolarHBondContact O-CB 3.4Å; C394-H397 PolarHBondContact O-N 3.12Å; H397-K399 PolarHBondContact O-N 3.23Å; H397-T400 PolarHBondContact CE1-OG1 2.84Å; H397-T400 PolarHBondContact ND1-OG1 3.1Å; H397-T400 VanDerWaalsContact ND1-OG1 3.14Å; H397-T400 WeakPolarHBondContact O-CA 3.38Å; H397-T400 VanDerWaalsContact O-CB 3.24Å; H397-T400 WeakPolarHBondContact O-CB 3.41Å; H397-T400 WeakPolarHBondContact O-CG2 3.4Å; H397-T400 PolarHBondContact O-N 3.49Å; H397-T400 PolarHBondContact O-OG1 2.9Å; H397-H401 AromaticContact CE1-NE2 3.91Å; H397-H401 AromaticContact NE2-NE2 3.71Å
398	E	67.6	Low	66.3	Low	70 Å²	70	70.1 Å²	70.1	33%	0.327	39%	0.391	S	S	.	.	H	α-helix	trans	-55.6	-39.1	172.8	-72.5	168.3	160.5	0	0	111	C381 C394 K395 T400 H401	C381-E398 HydrophobicContact CB-CG 4.41Å; C381-E398 VanDerWaalsContact SG-CG 3.54Å; C394-E398 WeakPolarHBondContact O-CG 3.29Å; C394-E398 PolarHBondContact O-N 2.97Å; K395-E398 WeakPolarHBondContact CA-OE2 3.27Å; E398-T400 PolarHBondContact O-N 3.44Å; E398-H401 PolarHBondContact O-N 2.8Å
399	K	68.4	Low	66.6	Low	127 Å²	127	67.8 Å²	67.8	55%	0.552	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.3	170.4	-66.2	173.7	-176	-178	0	114.6	K395 H397	K395-K399 WeakPolarHBondContact O-CG 3.34Å; H397-K399 PolarHBondContact O-N 3.23Å
400	T	60.6	Low	66.8	Low	41 Å²	41	71.5 Å²	71.5	25%	0.252	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.7	172.8	76.9	0	0	0	0	114.1	H397 E398 R417	H397-T400 PolarHBondContact CE1-OG1 2.84Å; H397-T400 PolarHBondContact ND1-OG1 3.1Å; H397-T400 VanDerWaalsContact ND1-OG1 3.14Å; H397-T400 WeakPolarHBondContact O-CA 3.38Å; H397-T400 VanDerWaalsContact O-CB 3.24Å; H397-T400 WeakPolarHBondContact O-CB 3.41Å; H397-T400 WeakPolarHBondContact O-CG2 3.4Å; H397-T400 PolarHBondContact O-N 3.49Å; H397-T400 PolarHBondContact O-OG1 2.9Å; E398-T400 PolarHBondContact O-N 3.44Å; T400-R417 PolarHBondContact O-NH1 3.18Å; T400-R417 PolarHBondContact O-NH2 3.09Å
401	H	59.8	Low	66.3	Low	79 Å²	79	74.9 Å²	74.9	37%	0.366	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-27.4	172	-62	-55.1	0	0	0	112.4	C381 D383 C384 H397 E398	C381-H401 PolarHBondContact SG-CD2 2.98Å; D383-H401 HydrophobicContact CB-CB 4.17Å; D383-H401 WeakPolarHBondContact OD2-CB 3.43Å; D383-H401 IonicContact OD2-CD2 3.81Å; D383-H401 PolarHBondContact OD2-CD2 3.24Å; D383-H401 IonicContact OD2-CG 2.75Å; C384-H401 WeakPolarHBondContact CB-NE2 3.47Å; C384-H401 PolarHBondContact SG-NE2 3.5Å; H397-H401 AromaticContact CE1-NE2 3.91Å; H397-H401 AromaticContact NE2-NE2 3.71Å; E398-H401 PolarHBondContact O-N 2.8Å
402	S	62.1	Low	66.2	Low	47 Å²	47	74 Å²	74	33%	0.329	42%	0.423	S	S	.	.			trans	-54.6	127.5	170.8	-168.6	0	0	0	0	111	L404 R417	S402-L404 PolarHBondContact O-N 3.04Å; S402-L404 PolarHBondContact OG-N 2.61Å; S402-R417 PolarHBondContact O-NE 2.94Å; S402-R417 PolarHBondContact O-NH2 3.08Å; S402-R417 VanDerWaalsContact O-NH2 3.09Å
403	P	56.6	Low	66	Low	108 Å²	108	73.3 Å²	73.3	70%	0.701	42%	0.423	S	S	*	.			trans	-72.4	-20.1	174.8	30	-34.5	0	0	0	111.6
404	L	53.7	Low	65.8	Low	122 Å²	122	76.6 Å²	76.6	64%	0.639	43%	0.43	S	S	*	.			trans	-67.1	144	179	-56.6	-179.2	0	0	0	111	S402	S402-L404 PolarHBondContact O-N 3.04Å; S402-L404 PolarHBondContact OG-N 2.61Å
405	K	61.5	Low	65.8	Low	109 Å²	109	78.4 Å²	78.4	47%	0.474	44%	0.443	S	S	.	.			trans	-126.4	78.1	175.9	-72.5	170.3	152.6	-148.2	0	108.2	Y407 S415 Y416 R417	K405-Y407 PolarHBondContact O-N 3.26Å; K405-Y407 VanDerWaalsContact O-N 3.15Å; K405-S415 WeakPolarHBondContact CD-O 3.35Å; K405-S415 WeakPolarHBondContact CD-OG 3.49Å; K405-S415 WeakPolarHBondContact CE-O 3.49Å; K405-S415 PolarHBondContact NZ-O 3.41Å; K405-Y416 CarbonylContact C-O 3.55Å; K405-Y416 VanDerWaalsContact C-O 3.27Å; K405-Y416 WeakPolarHBondContact CA-O 3.39Å; K405-R417 HydrophobicContact CG-CG 3.95Å
406	P	67.6	Low	66	Low	84 Å²	84	74.1 Å²	74.1	55%	0.545	42%	0.423	S	S	.	.			trans	-64.4	-25.3	-166.3	-21.7	33.8	0	0	0	113.5	C408	P406-C408 PolarHBondContact O-N 2.99Å
407	Y	69.9	Low	66	Low	95 Å²	95	77.2 Å²	77.2	37%	0.373	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	93	-167.6	-53.7	-67.6	0	0	0	110.2	K405 Y416 V419	K405-Y407 PolarHBondContact O-N 3.26Å; K405-Y407 VanDerWaalsContact O-N 3.15Å; Y407-Y416 PolarHBondContact N-O 3.47Å; Y407-Y416 PolarHBondContact O-N 2.8Å; Y407-V419 HydrophobicContact CD1-CG2 3.57Å; Y407-V419 HydrophobicContact CD2-CG2 4.24Å; Y407-V419 HydrophobicContact CE1-CG2 3.33Å; Y407-V419 HydrophobicContact CE2-CG2 4.04Å; Y407-V419 HydrophobicContact CG-CG2 4.01Å
408	C	65.6	Low	65.9	Low	83 Å²	83	78.6 Å²	78.6	56%	0.561	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.6	176.8	64	0	0	0	0	112.4	P406 L422	P406-C408 PolarHBondContact O-N 2.99Å; C408-L422 WeakPolarHBondContact O-CD2 3.41Å
409	C	76.4	Confident	66.2	Low	2 Å²	2	78.3 Å²	78.3	1%	0.014	44%	0.436	C	S	.	.			trans	-90	115.4	173	-176.4	0	0	0	0	110.6	T411 C412 G413 K414 L422 H425 H429	C409-T411 PolarHBondContact O-N 3.3Å; C409-C412 PolarHBondContact O-N 2.94Å; C409-G413 WeakPolarHBondContact O-CA 3.29Å; C409-G413 PolarHBondContact O-N 3.06Å; C409-K414 PolarHBondContact N-O 2.78Å; C409-L422 HydrophobicContact CB-CD1 3.61Å; C409-H425 VanDerWaalsContact SG-CD2 3.56Å; C409-H429 VanDerWaalsContact SG-CD2 3.51Å; C409-H429 PolarHBondContact SG-NE2 2.86Å; C409-H429 VanDerWaalsContact SG-NE2 3.43Å
410	S	68.8	Low	66.3	Low	111 Å²	111	75.4 Å²	75.4	78%	0.776	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.3	174.9	46	0	0	0	0	112.9	C412	S410-C412 PolarHBondContact O-N 3.31Å
411	T	63.6	Low	66.8	Low	92 Å²	92	77.4 Å²	77.4	56%	0.564	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.8	-175.3	-33.2	0	0	0	0	114.8	C409 H429	C409-T411 PolarHBondContact O-N 3.3Å; T411-H429 HydrophobicContact CG2-CB 4.07Å
412	C	69.6	Low	67.4	Low	54 Å²	54	74.5 Å²	74.5	37%	0.365	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	21.6	179.1	85.5	0	0	0	0	116.4	C409 S410 K414 H425 H429	C409-C412 PolarHBondContact O-N 2.94Å; S410-C412 PolarHBondContact O-N 3.31Å; C412-K414 PolarHBondContact O-N 3.1Å; C412-H425 PolarHBondContact SG-NE2 3.02Å; C412-H429 PolarHBondContact SG-CE1 3.2Å; C412-H429 PolarHBondContact SG-NE2 3.15Å; C412-H429 VanDerWaalsContact SG-NE2 3.38Å
413	G	67.8	Low	67.9	Low	59 Å²	59	75.3 Å²	75.3	61%	0.608	43%	0.428	S	S	*	.			trans	66.4	-1.9	173.5	0	0	0	0	0	116.9	C409 S415	C409-G413 WeakPolarHBondContact O-CA 3.29Å; C409-G413 PolarHBondContact O-N 3.06Å; G413-S415 PolarHBondContact O-N 3.23Å
414	K	65.4	Low	68.5	Low	109 Å²	109	74 Å²	74	47%	0.474	42%	0.415	S	S	.	.			trans	-72.6	129	-175.9	-70.2	-177.6	-172.1	-176	0	110.8	C409 C412 Y416	C409-K414 PolarHBondContact N-O 2.78Å; C412-K414 PolarHBondContact O-N 3.1Å; K414-Y416 HydrophobicContact CB-CE2 3.65Å; K414-Y416 WeakPolarHBondContact O-CD2 3.38Å; K414-Y416 VanDerWaalsContact O-CE2 3.28Å; K414-Y416 WeakPolarHBondContact O-CE2 3.38Å
415	S	68.9	Low	69.2	Low	44 Å²	44	68.8 Å²	68.8	31%	0.308	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.4	-176.2	55.4	0	0	0	0	113.2	K405 G413	K405-S415 WeakPolarHBondContact CD-O 3.35Å; K405-S415 WeakPolarHBondContact CD-OG 3.49Å; K405-S415 WeakPolarHBondContact CE-O 3.49Å; K405-S415 PolarHBondContact NZ-O 3.41Å; G413-S415 PolarHBondContact O-N 3.23Å
416	Y	72.6	Confident	69.6	Low	51 Å²	51	69.1 Å²	69.1	20%	0.2	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152	-170.2	-64.7	-85.7	0	0	0	111.5	K405 Y407 K414 L421 L422 H425	K405-Y416 CarbonylContact C-O 3.55Å; K405-Y416 VanDerWaalsContact C-O 3.27Å; K405-Y416 WeakPolarHBondContact CA-O 3.39Å; Y407-Y416 PolarHBondContact N-O 3.47Å; Y407-Y416 PolarHBondContact O-N 2.8Å; K414-Y416 HydrophobicContact CB-CE2 3.65Å; K414-Y416 WeakPolarHBondContact O-CD2 3.38Å; K414-Y416 VanDerWaalsContact O-CE2 3.28Å; K414-Y416 WeakPolarHBondContact O-CE2 3.38Å; Y416-L421 HydrophobicContact CD1-CB 3.95Å; Y416-L421 HydrophobicContact CG-CB 4.44Å; Y416-L422 HydrophobicContact CD2-CB 4.28Å; Y416-L422 HydrophobicContact CD2-CD1 3.95Å; Y416-L422 HydrophobicContact CE2-CD1 4.44Å; Y416-L422 HydrophobicContact CG-CB 4.44Å; Y416-H425 HydrophobicContact CE1-CB 4.27Å; Y416-H425 HydrophobicContact CE2-CB 3.91Å; Y416-H425 AromaticContact CE2-CD2 3.45Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.45Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.37Å; Y416-H425 AromaticContact CE2-CG 3.62Å; Y416-H425 AromaticContact CZ-CD2 3.83Å; Y416-H425 AromaticContact CZ-CG 3.52Å; Y416-H425 AromaticContact CZ-ND1 3.89Å; Y416-H425 PolarHBondContact OH-CE1 3.26Å; Y416-H425 PolarHBondContact OH-ND1 2.96Å; Y416-H425 VanDerWaalsContact OH-ND1 3.09Å
417	R	68.2	Low	69.7	Low	103 Å²	103	68.7 Å²	68.7	39%	0.389	38%	0.375	S	S	.	.	S	Bend	trans	-82.9	-15.7	-179.6	-70	-177.3	164	163.4	-13.3	114.1	T400 S402 K405	T400-R417 PolarHBondContact O-NH1 3.18Å; T400-R417 PolarHBondContact O-NH2 3.09Å; S402-R417 PolarHBondContact O-NE 2.94Å; S402-R417 PolarHBondContact O-NH2 3.08Å; S402-R417 VanDerWaalsContact O-NH2 3.09Å; K405-R417 HydrophobicContact CG-CG 3.95Å
418	Q	69.9	Low	69.5	Low	60 Å²	60	70.3 Å²	70.3	28%	0.28	38%	0.381	S	S	.	.	S	Bend	trans	-140.3	145.9	-178.6	-62.8	-178.3	-7.4	0	0	110.5	S420 L421 L422	Q418-S420 VanDerWaalsContact C-N 3.26Å; Q418-S420 WeakPolarHBondContact CB-OG 3.42Å; Q418-S420 PolarHBondContact O-N 3.44Å; Q418-S420 PolarHBondContact OE1-OG 2.88Å; Q418-S420 VanDerWaalsContact OE1-OG 3.09Å; Q418-L421 HydrophobicContact CB-CD1 4.43Å; Q418-L421 PolarHBondContact O-N 3.42Å; Q418-L422 PolarHBondContact O-N 3.26Å; Q418-L422 VanDerWaalsContact O-N 3.09Å
419	V	73.4	Confident	69.3	Low	64 Å²	64	69.2 Å²	69.2	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-38.8	174.7	-178.1	0	0	0	0	111.4	Y407 L421 L422 N423	Y407-V419 HydrophobicContact CD1-CG2 3.57Å; Y407-V419 HydrophobicContact CD2-CG2 4.24Å; Y407-V419 HydrophobicContact CE1-CG2 3.33Å; Y407-V419 HydrophobicContact CE2-CG2 4.04Å; Y407-V419 HydrophobicContact CG-CG2 4.01Å; V419-L421 PolarHBondContact O-N 2.87Å; V419-L422 PolarHBondContact O-N 2.87Å; V419-N423 WeakPolarHBondContact O-CB 3.22Å; V419-N423 PolarHBondContact O-N 3.38Å
420	S	70.4	Confident	68.7	Low	67 Å²	67	72.8 Å²	72.8	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-53.4	-50.8	175	50.8	0	0	0	0	112.3	Q418 N423 L424	Q418-S420 VanDerWaalsContact C-N 3.26Å; Q418-S420 WeakPolarHBondContact CB-OG 3.42Å; Q418-S420 PolarHBondContact O-N 3.44Å; Q418-S420 PolarHBondContact OE1-OG 2.88Å; Q418-S420 VanDerWaalsContact OE1-OG 3.09Å; S420-N423 PolarHBondContact O-N 2.8Å; S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 3.26Å
421	L	70.7	Confident	68.1	Low	83 Å²	83	70.2 Å²	70.2	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-69.1	-34.1	177.9	-88.2	68	0	0	0	112.4	Y416 Q418 V419 H425	Y416-L421 HydrophobicContact CD1-CB 3.95Å; Y416-L421 HydrophobicContact CG-CB 4.44Å; Q418-L421 HydrophobicContact CB-CD1 4.43Å; Q418-L421 PolarHBondContact O-N 3.42Å; V419-L421 PolarHBondContact O-N 2.87Å; L421-H425 VanDerWaalsContact O-CB 3.31Å; L421-H425 WeakPolarHBondContact O-CB 3.3Å; L421-H425 PolarHBondContact O-N 3.08Å
422	L	73.5	Confident	67.9	Low	17 Å²	17	71.4 Å²	71.4	9%	0.089	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-49	172.7	172.4	61	0	0	0	111	C408 C409 Y416 Q418 V419 L424 H425 R426	C408-L422 WeakPolarHBondContact O-CD2 3.41Å; C409-L422 HydrophobicContact CB-CD1 3.61Å; Y416-L422 HydrophobicContact CD2-CB 4.28Å; Y416-L422 HydrophobicContact CD2-CD1 3.95Å; Y416-L422 HydrophobicContact CE2-CD1 4.44Å; Y416-L422 HydrophobicContact CG-CB 4.44Å; Q418-L422 PolarHBondContact O-N 3.26Å; Q418-L422 VanDerWaalsContact O-N 3.09Å; V419-L422 PolarHBondContact O-N 2.87Å; L422-L424 PolarHBondContact O-N 3.22Å; L422-H425 CarbonylContact O-C 3.21Å; L422-H425 WeakPolarHBondContact O-CA 3.49Å; L422-H425 WeakPolarHBondContact O-CB 3.42Å; L422-H425 PolarHBondContact O-N 3.29Å; L422-H425 VanDerWaalsContact O-N 3.07Å; L422-R426 HydrophobicContact CD1-CG 4.08Å; L422-R426 HydrophobicContact CG-CG 4.31Å; L422-R426 WeakPolarHBondContact O-CG 3.49Å; L422-R426 PolarHBondContact O-N 2.88Å
423	N	71.8	Confident	67.1	Low	64 Å²	64	70 Å²	70	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-65.5	-40	-179	-75.4	-10.3	0	0	0	111.3	V419 S420 H425 R426 K427	V419-N423 WeakPolarHBondContact O-CB 3.22Å; V419-N423 PolarHBondContact O-N 3.38Å; S420-N423 PolarHBondContact O-N 2.8Å; N423-H425 PolarHBondContact O-N 3.34Å; N423-R426 PolarHBondContact O-N 3.19Å; N423-R426 VanDerWaalsContact O-N 3.12Å; N423-R426 PolarHBondContact OD1-NH1 3.22Å; N423-K427 WeakPolarHBondContact O-CG 3.36Å; N423-K427 PolarHBondContact O-N 3.29Å
424	L	68.7	Low	66.8	Low	80 Å²	80	76.1 Å²	76.1	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-33.1	171.6	-171	62.9	0	0	0	112.6	S420 L422 T445	S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 3.26Å; L422-L424 PolarHBondContact O-N 3.22Å; L424-T445 HydrophobicContact CD1-CG2 3.9Å; L424-T445 HydrophobicContact CD2-CG2 3.72Å; L424-T445 HydrophobicContact CG-CG2 3.81Å
425	H	69.4	Low	66.8	Low	14 Å²	14	75.2 Å²	75.2	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-77.9	-35.2	172.4	171	72.7	0	0	0	113.3	C409 C412 Y416 L421 L422 N423 K427 R428 H429	C409-H425 VanDerWaalsContact SG-CD2 3.56Å; C412-H425 PolarHBondContact SG-NE2 3.02Å; Y416-H425 HydrophobicContact CE1-CB 4.27Å; Y416-H425 HydrophobicContact CE2-CB 3.91Å; Y416-H425 AromaticContact CE2-CD2 3.45Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.45Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.37Å; Y416-H425 AromaticContact CE2-CG 3.62Å; Y416-H425 AromaticContact CZ-CD2 3.83Å; Y416-H425 AromaticContact CZ-CG 3.52Å; Y416-H425 AromaticContact CZ-ND1 3.89Å; Y416-H425 PolarHBondContact OH-CE1 3.26Å; Y416-H425 PolarHBondContact OH-ND1 2.96Å; Y416-H425 VanDerWaalsContact OH-ND1 3.09Å; L421-H425 VanDerWaalsContact O-CB 3.31Å; L421-H425 WeakPolarHBondContact O-CB 3.3Å; L421-H425 PolarHBondContact O-N 3.08Å; L422-H425 CarbonylContact O-C 3.21Å; L422-H425 WeakPolarHBondContact O-CA 3.49Å; L422-H425 WeakPolarHBondContact O-CB 3.42Å; L422-H425 PolarHBondContact O-N 3.29Å; L422-H425 VanDerWaalsContact O-N 3.07Å; N423-H425 PolarHBondContact O-N 3.34Å; H425-K427 VanDerWaalsContact C-N 3.34Å; H425-R428 VanDerWaalsContact O-CB 3.26Å; H425-R428 WeakPolarHBondContact O-CB 2.95Å; H425-R428 PolarHBondContact O-N 2.98Å; H425-R428 VanDerWaalsContact O-N 3.14Å; H425-H429 AromaticContact CD2-NE2 3.82Å; H425-H429 AromaticContact CE1-NE2 3.43Å; H425-H429 PolarHBondContact CE1-NE2 3.03Å; H425-H429 AromaticContact NE2-CD2 3.85Å; H425-H429 AromaticContact NE2-NE2 3.04Å; H425-H429 PolarHBondContact NE2-NE2 3.49Å
426	R	70	Confident	67.1	Low	116 Å²	116	75.7 Å²	75.7	44%	0.438	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-38.1	174.5	-74.3	173.8	67.9	-160.6	4	111.7	L422 N423 R428 H429 T430	L422-R426 HydrophobicContact CD1-CG 4.08Å; L422-R426 HydrophobicContact CG-CG 4.31Å; L422-R426 WeakPolarHBondContact O-CG 3.49Å; L422-R426 PolarHBondContact O-N 2.88Å; N423-R426 PolarHBondContact O-N 3.19Å; N423-R426 VanDerWaalsContact O-N 3.12Å; N423-R426 PolarHBondContact OD1-NH1 3.22Å; R426-R428 PolarHBondContact O-N 3.42Å; R426-R428 VanDerWaalsContact O-N 3.07Å; R426-H429 WeakPolarHBondContact O-CA 3.33Å; R426-H429 WeakPolarHBondContact O-CB 3.41Å; R426-H429 PolarHBondContact O-N 3.12Å; R426-T430 PolarHBondContact O-N 3.45Å
427	K	70	Confident	67.4	Low	75 Å²	75	73.3 Å²	73.3	33%	0.326	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	173.5	-70.7	-167.4	175.3	-142.9	0	114.8	N423 H425 T430	N423-K427 WeakPolarHBondContact O-CG 3.36Å; N423-K427 PolarHBondContact O-N 3.29Å; H425-K427 VanDerWaalsContact C-N 3.34Å; K427-T430 WeakPolarHBondContact CA-OG1 3.44Å
428	R	63.8	Low	67.7	Low	128 Å²	128	74.5 Å²	74.5	48%	0.483	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.9	171.7	-159.8	-169.5	60.9	93.5	30.9	113	H425 R426 L443	H425-R428 VanDerWaalsContact O-CB 3.26Å; H425-R428 WeakPolarHBondContact O-CB 2.95Å; H425-R428 PolarHBondContact O-N 2.98Å; H425-R428 VanDerWaalsContact O-N 3.14Å; R426-R428 PolarHBondContact O-N 3.42Å; R426-R428 VanDerWaalsContact O-N 3.07Å; R428-L443 HydrophobicContact CG-CD1 4.46Å
429	H	62.8	Low	67.9	Low	61 Å²	61	76.7 Å²	76.7	28%	0.282	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-31.5	171.8	-58.4	-67	0	0	0	112	C409 T411 C412 H425 R426 G431	C409-H429 VanDerWaalsContact SG-CD2 3.51Å; C409-H429 PolarHBondContact SG-NE2 2.86Å; C409-H429 VanDerWaalsContact SG-NE2 3.43Å; T411-H429 HydrophobicContact CG2-CB 4.07Å; C412-H429 PolarHBondContact SG-CE1 3.2Å; C412-H429 PolarHBondContact SG-NE2 3.15Å; C412-H429 VanDerWaalsContact SG-NE2 3.38Å; H425-H429 AromaticContact CD2-NE2 3.82Å; H425-H429 AromaticContact CE1-NE2 3.43Å; H425-H429 PolarHBondContact CE1-NE2 3.03Å; H425-H429 AromaticContact NE2-CD2 3.85Å; H425-H429 AromaticContact NE2-NE2 3.04Å; H425-H429 PolarHBondContact NE2-NE2 3.49Å; R426-H429 WeakPolarHBondContact O-CA 3.33Å; R426-H429 WeakPolarHBondContact O-CB 3.41Å; R426-H429 PolarHBondContact O-N 3.12Å; H429-G431 VanDerWaalsContact C-N 3.29Å; H429-G431 PolarHBondContact O-N 3.19Å
430	T	62.8	Low	68	Low	77 Å²	77	75.9 Å²	75.9	47%	0.472	39%	0.392	S	S	.	.	S	Bend	trans	-80.7	-4.1	176.6	57.8	0	0	0	0	114	R426 K427 E432	R426-T430 PolarHBondContact O-N 3.45Å; K427-T430 WeakPolarHBondContact CA-OG1 3.44Å; T430-E432 VanDerWaalsContact CB-OE2 3.24Å; T430-E432 WeakPolarHBondContact CB-OE2 3.21Å; T430-E432 PolarHBondContact O-N 3.42Å; T430-E432 VanDerWaalsContact O-N 3.13Å; T430-E432 PolarHBondContact OG1-OE2 2.88Å
431	G	56.9	Low	68.1	Low	57 Å²	57	75.3 Å²	75.3	59%	0.588	40%	0.397	S	S	*	.	S	Bend	trans	78.4	-18.8	-177.6	0	0	0	0	0	114.6	H429 A433	H429-G431 VanDerWaalsContact C-N 3.29Å; H429-G431 PolarHBondContact O-N 3.19Å; G431-A433 PolarHBondContact O-N 3.48Å
432	E	58.9	Low	68.1	Low	116 Å²	116	76.4 Å²	76.4	54%	0.542	40%	0.398	S	S	.	.			trans	-69.4	50	179.2	-53.2	163.9	126.4	0	0	113.9	T430 R434	T430-E432 VanDerWaalsContact CB-OE2 3.24Å; T430-E432 WeakPolarHBondContact CB-OE2 3.21Å; T430-E432 PolarHBondContact O-N 3.42Å; T430-E432 VanDerWaalsContact O-N 3.13Å; T430-E432 PolarHBondContact OG1-OE2 2.88Å; E432-R434 PolarHBondContact O-N 3.48Å
433	A	52.5	Low	68.1	Low	25 Å²	25	79.1 Å²	79.1	21%	0.207	41%	0.413	C	S	.	.			trans	-67.9	116.1	165.7	0	0	0	0	0	108.6	G431 Y435 L443	G431-A433 PolarHBondContact O-N 3.48Å; A433-Y435 PolarHBondContact O-N 3.3Å; A433-L443 HydrophobicContact CB-CB 3.74Å; A433-L443 HydrophobicContact CB-CD1 4.11Å; A433-L443 HydrophobicContact CB-CD2 3.72Å; A433-L443 HydrophobicContact CB-CG 4.03Å
434	R	62.9	Low	68.1	Low	187 Å²	187	78.4 Å²	78.4	71%	0.706	41%	0.407	S	S	*	.	S	Bend	trans	-58.7	-16.2	172.4	-75.1	-174.2	167.5	172.4	-5.9	113.1	E432	E432-R434 PolarHBondContact O-N 3.48Å
435	Y	65.6	Low	68.1	Low	90 Å²	90	78.2 Å²	78.2	35%	0.353	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	93	-178.5	-58.3	-66.3	0	0	0	111.3	A433 F444 L450	A433-Y435 PolarHBondContact O-N 3.3Å; Y435-F444 PolarHBondContact O-N 3.39Å; Y435-L450 HydrophobicContact CD1-CD2 4.26Å; Y435-L450 HydrophobicContact CG-CD2 4.46Å
436	S	74.1	Confident	68.3	Low	54 Å²	54	80.8 Å²	80.8	38%	0.378	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.4	167.2	46.1	0	0	0	0	111.6	L450	S436-L450 VanDerWaalsContact O-CD1 3.24Å; S436-L450 WeakPolarHBondContact O-CD1 3.39Å; S436-L450 WeakPolarHBondContact O-CD2 3.24Å
437	C	78.3	Confident	68.5	Low	1 Å²	1	77.6 Å²	77.6	1%	0.007	42%	0.421	C	S	.	.			trans	-104.3	114.3	167.7	-179.2	0	0	0	0	110.4	V439 C440 G441 K442 F444 L450 H457	C437-V439 VanDerWaalsContact C-N 3.28Å; C437-V439 PolarHBondContact O-N 3.06Å; C437-C440 PolarHBondContact O-N 2.98Å; C437-C440 VanDerWaalsContact O-N 3.1Å; C437-C440 VanDerWaalsContact SG-SG 3.69Å; C437-G441 WeakPolarHBondContact O-CA 3.3Å; C437-G441 PolarHBondContact O-N 3.17Å; C437-K442 PolarHBondContact N-O 3.48Å; C437-F444 HydrophobicContact CB-CD2 4.45Å; C437-F444 HydrophobicContact CB-CE2 3.97Å; C437-L450 HydrophobicContact CB-CD1 3.53Å; C437-H457 VanDerWaalsContact SG-CD2 3.57Å; C437-H457 PolarHBondContact SG-NE2 2.91Å
438	D	75.3	Confident	68.8	Low	129 Å²	129	75.8 Å²	75.8	69%	0.69	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.5	-165.6	-37.8	-70.8	0	0	0	112.1	C440	D438-C440 VanDerWaalsContact C-N 3.34Å; D438-C440 PolarHBondContact O-N 3.42Å
439	V	74.8	Confident	69.4	Low	106 Å²	106	72.7 Å²	72.7	64%	0.642	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.3	177.8	-172.7	0	0	0	0	113	C437 H457	C437-V439 VanDerWaalsContact C-N 3.28Å; C437-V439 PolarHBondContact O-N 3.06Å; V439-H457 HydrophobicContact CB-CB 4.45Å; V439-H457 HydrophobicContact CG1-CB 4.22Å; V439-H457 WeakPolarHBondContact CG1-ND1 3.38Å; V439-H457 HydrophobicContact CG2-CB 4.39Å
440	C	75.6	Confident	70.3	Confident	46 Å²	46	70.5 Å²	70.5	31%	0.311	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.6	10.4	-173.1	72.6	0	0	0	0	117.3	C437 D438 K442 H453 H457	C437-C440 PolarHBondContact O-N 2.98Å; C437-C440 VanDerWaalsContact O-N 3.1Å; C437-C440 VanDerWaalsContact SG-SG 3.69Å; D438-C440 VanDerWaalsContact C-N 3.34Å; D438-C440 PolarHBondContact O-N 3.42Å; C440-K442 PolarHBondContact O-N 3.12Å; C440-H453 PolarHBondContact SG-NE2 3.12Å; C440-H457 PolarHBondContact SG-NE2 3.32Å
441	G	71	Confident	70.9	Confident	55 Å²	55	74 Å²	74	57%	0.567	42%	0.416	S	S	*	.			trans	63.9	5.7	177.7	0	0	0	0	0	116	C437 L443	C437-G441 WeakPolarHBondContact O-CA 3.3Å; C437-G441 PolarHBondContact O-N 3.17Å; G441-L443 WeakPolarHBondContact O-CD2 3.2Å; G441-L443 PolarHBondContact O-N 3.39Å
442	K	71.7	Confident	71.9	Confident	106 Å²	106	75.2 Å²	75.2	46%	0.461	40%	0.403	S	S	.	.			trans	-73.3	130.4	-177.6	-70.1	175.9	-157.3	136.4	0	110.7	C437 C440 F444	C437-K442 PolarHBondContact N-O 3.48Å; C440-K442 PolarHBondContact O-N 3.12Å; K442-F444 HydrophobicContact CB-CE2 3.58Å; K442-F444 HydrophobicContact CB-CZ 3.92Å; K442-F444 VanDerWaalsContact O-CD2 3.28Å; K442-F444 WeakPolarHBondContact O-CD2 3.4Å; K442-F444 VanDerWaalsContact O-CE2 3.3Å; K442-F444 WeakPolarHBondContact O-CE2 3.36Å
443	L	72.4	Confident	72.9	Confident	75 Å²	75	70.8 Å²	70.8	39%	0.393	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.8	-175.1	-51.1	-175.5	0	0	0	110.5	R428 A433 G441	R428-L443 HydrophobicContact CG-CD1 4.46Å; A433-L443 HydrophobicContact CB-CB 3.74Å; A433-L443 HydrophobicContact CB-CD1 4.11Å; A433-L443 HydrophobicContact CB-CD2 3.72Å; A433-L443 HydrophobicContact CB-CG 4.03Å; G441-L443 WeakPolarHBondContact O-CD2 3.2Å; G441-L443 PolarHBondContact O-N 3.39Å
444	F	72.8	Confident	74.1	Confident	48 Å²	48	73 Å²	73	21%	0.211	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.7	-176.6	-68	-86	0	0	0	112.8	Y435 C437 K442 T446 N449 L450 H453	Y435-F444 PolarHBondContact O-N 3.39Å; C437-F444 HydrophobicContact CB-CD2 4.45Å; C437-F444 HydrophobicContact CB-CE2 3.97Å; K442-F444 HydrophobicContact CB-CE2 3.58Å; K442-F444 HydrophobicContact CB-CZ 3.92Å; K442-F444 VanDerWaalsContact O-CD2 3.28Å; K442-F444 WeakPolarHBondContact O-CD2 3.4Å; K442-F444 VanDerWaalsContact O-CE2 3.3Å; K442-F444 WeakPolarHBondContact O-CE2 3.36Å; F444-T446 VanDerWaalsContact C-N 3.28Å; F444-T446 PolarHBondContact O-N 2.88Å; F444-N449 HydrophobicContact CD1-CB 4.07Å; F444-L450 HydrophobicContact CB-CB 4.11Å; F444-L450 HydrophobicContact CD2-CB 4.21Å; F444-L450 HydrophobicContact CD2-CD1 3.89Å; F444-L450 HydrophobicContact CE2-CD1 4.31Å; F444-L450 HydrophobicContact CG-CB 4.22Å; F444-H453 HydrophobicContact CE1-CB 3.89Å; F444-H453 HydrophobicContact CE2-CB 3.92Å; F444-H453 AromaticContact CE2-CD2 3.39Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.23Å; F444-H453 AromaticContact CE2-CG 3.83Å; F444-H453 HydrophobicContact CZ-CB 3.47Å; F444-H453 VanDerWaalsContact CZ-CB 3.47Å; F444-H453 AromaticContact CZ-CD2 3.26Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.31Å; F444-H453 AromaticContact CZ-CG 3.32Å
445	T	68.1	Low	75	Confident	77 Å²	77	65.5 Å²	65.5	47%	0.472	36%	0.362	S	S	.	.	S	Bend	trans	-77.3	-14.4	-177.9	58.3	0	0	0	0	113.8	L424	L424-T445 HydrophobicContact CD1-CG2 3.9Å; L424-T445 HydrophobicContact CD2-CG2 3.72Å; L424-T445 HydrophobicContact CG-CG2 3.81Å
446	T	73.6	Confident	75.4	Confident	67 Å²	67	65.5 Å²	65.5	41%	0.411	37%	0.371	S	S	.	.	S	Bend	trans	-164.2	135.8	-161.8	-41.1	0	0	0	0	109.3	F444 G448 N449 L450	F444-T446 VanDerWaalsContact C-N 3.28Å; F444-T446 PolarHBondContact O-N 2.88Å; T446-G448 VanDerWaalsContact C-N 3.32Å; T446-G448 PolarHBondContact O-N 3.23Å; T446-N449 WeakPolarHBondContact O-CB 3.45Å; T446-N449 PolarHBondContact O-N 3.08Å; T446-L450 PolarHBondContact O-N 3.17Å; T446-L450 VanDerWaalsContact O-N 3.15Å
447	S	75.6	Confident	75.6	Confident	49 Å²	49	66.3 Å²	66.3	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-53.7	-44.5	178.8	52.3	0	0	0	0	112.9	N449 L450 K451	S447-N449 PolarHBondContact O-N 3.02Å; S447-N449 VanDerWaalsContact O-N 3.15Å; S447-L450 WeakPolarHBondContact O-CB 3.25Å; S447-L450 PolarHBondContact O-N 3.41Å; S447-K451 PolarHBondContact O-N 3.39Å
448	G	75.8	Confident	75.4	Confident	38 Å²	38	69.4 Å²	69.4	39%	0.392	39%	0.39	S	S	.	.	H	α-helix	trans	-66.5	-9.9	176.7	0	0	0	0	0	115.7	T446 R452	T446-G448 VanDerWaalsContact C-N 3.32Å; T446-G448 PolarHBondContact O-N 3.23Å; G448-R452 PolarHBondContact O-NH2 2.82Å
449	N	76.8	Confident	75.3	Confident	62 Å²	62	65.5 Å²	65.5	33%	0.332	38%	0.381	S	S	.	.	H	α-helix	trans	-95.3	-33	167.9	-70.4	-19.8	0	0	0	111.4	F444 T446 S447 R452 H453	F444-N449 HydrophobicContact CD1-CB 4.07Å; T446-N449 WeakPolarHBondContact O-CB 3.45Å; T446-N449 PolarHBondContact O-N 3.08Å; S447-N449 PolarHBondContact O-N 3.02Å; S447-N449 VanDerWaalsContact O-N 3.15Å; N449-R452 PolarHBondContact OD1-NH2 3.12Å; N449-H453 PolarHBondContact O-N 2.88Å
450	L	79.9	Confident	75.2	Confident	16 Å²	16	66 Å²	66	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-52.2	170.4	170.8	61.6	0	0	0	111.4	Y435 S436 C437 F444 T446 S447 R452 H453 Q454	Y435-L450 HydrophobicContact CD1-CD2 4.26Å; Y435-L450 HydrophobicContact CG-CD2 4.46Å; S436-L450 VanDerWaalsContact O-CD1 3.24Å; S436-L450 WeakPolarHBondContact O-CD1 3.39Å; S436-L450 WeakPolarHBondContact O-CD2 3.24Å; C437-L450 HydrophobicContact CB-CD1 3.53Å; F444-L450 HydrophobicContact CB-CB 4.11Å; F444-L450 HydrophobicContact CD2-CB 4.21Å; F444-L450 HydrophobicContact CD2-CD1 3.89Å; F444-L450 HydrophobicContact CE2-CD1 4.31Å; F444-L450 HydrophobicContact CG-CB 4.22Å; T446-L450 PolarHBondContact O-N 3.17Å; T446-L450 VanDerWaalsContact O-N 3.15Å; S447-L450 WeakPolarHBondContact O-CB 3.25Å; S447-L450 PolarHBondContact O-N 3.41Å; L450-R452 PolarHBondContact O-N 3.4Å; L450-H453 CarbonylContact O-C 3.26Å; L450-H453 WeakPolarHBondContact O-CA 3.44Å; L450-H453 WeakPolarHBondContact O-CB 3.46Å; L450-H453 PolarHBondContact O-N 3.18Å; L450-Q454 HydrophobicContact CD1-CG 4.03Å; L450-Q454 HydrophobicContact CG-CG 4.39Å; L450-Q454 PolarHBondContact O-N 3.23Å
451	K	77.2	Confident	75.4	Confident	150 Å²	150	69.2 Å²	69.2	65%	0.652	39%	0.385	S	S	*	.	H	α-helix	trans	-54.9	-40.9	179.1	-70.4	-167.3	174.9	-169	0	111.7	S447 H453 Q454 L455	S447-K451 PolarHBondContact O-N 3.39Å; K451-H453 VanDerWaalsContact C-N 3.32Å; K451-H453 PolarHBondContact O-N 2.95Å; K451-Q454 PolarHBondContact O-N 2.94Å; K451-L455 PolarHBondContact O-N 2.97Å
452	R	76.9	Confident	75.7	Confident	82 Å²	82	69.8 Å²	69.8	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-23.5	175	-149	-174.1	-42.3	134.3	28	114.2	G448 N449 L450 L455 S473 D474	G448-R452 PolarHBondContact O-NH2 2.82Å; N449-R452 PolarHBondContact OD1-NH2 3.12Å; L450-R452 PolarHBondContact O-N 3.4Å; R452-L455 HydrophobicContact CG-CD1 4.39Å; R452-S473 WeakPolarHBondContact CG-O 3.46Å; R452-D474 WeakPolarHBondContact CD-OD2 3.41Å; R452-D474 IonicContact CZ-OD2 2.79Å; R452-D474 IonicContact NE-OD2 2.69Å; R452-D474 IonicContact NH1-OD2 2.61Å; R452-D474 PolarHBondContact NH1-OD2 3.49Å
453	H	79.9	Confident	76.1	Confident	24 Å²	24	69.1 Å²	69.1	11%	0.111	37%	0.373	C	S	.	.	H	α-helix	trans	-80.1	-33.1	170.5	-173.2	42.9	0	0	0	112.6	C440 F444 N449 L450 K451 L455 V456 H457	C440-H453 PolarHBondContact SG-NE2 3.12Å; F444-H453 HydrophobicContact CE1-CB 3.89Å; F444-H453 HydrophobicContact CE2-CB 3.92Å; F444-H453 AromaticContact CE2-CD2 3.39Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.23Å; F444-H453 AromaticContact CE2-CG 3.83Å; F444-H453 HydrophobicContact CZ-CB 3.47Å; F444-H453 VanDerWaalsContact CZ-CB 3.47Å; F444-H453 AromaticContact CZ-CD2 3.26Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.31Å; F444-H453 AromaticContact CZ-CG 3.32Å; N449-H453 PolarHBondContact O-N 2.88Å; L450-H453 CarbonylContact O-C 3.26Å; L450-H453 WeakPolarHBondContact O-CA 3.44Å; L450-H453 WeakPolarHBondContact O-CB 3.46Å; L450-H453 PolarHBondContact O-N 3.18Å; K451-H453 VanDerWaalsContact C-N 3.32Å; K451-H453 PolarHBondContact O-N 2.95Å; H453-L455 PolarHBondContact O-N 3.41Å; H453-V456 WeakPolarHBondContact O-CA 3.42Å; H453-V456 WeakPolarHBondContact O-CB 3.48Å; H453-V456 WeakPolarHBondContact O-CG2 3.43Å; H453-V456 PolarHBondContact O-N 2.97Å; H453-H457 AromaticContact CD2-NE2 3.81Å; H453-H457 AromaticContact CE1-NE2 3.61Å; H453-H457 AromaticContact NE2-CD2 3.97Å; H453-H457 AromaticContact NE2-NE2 3.14Å; H453-H457 PolarHBondContact NE2-NE2 3.31Å; H453-H457 VanDerWaalsContact NE2-NE2 3.14Å
454	Q	78.7	Confident	76.4	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.332	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-33.8	174.1	-73.1	165	-43.7	0	0	111.5	L450 K451 V456 H457 S458	L450-Q454 HydrophobicContact CD1-CG 4.03Å; L450-Q454 HydrophobicContact CG-CG 4.39Å; L450-Q454 PolarHBondContact O-N 3.23Å; K451-Q454 PolarHBondContact O-N 2.94Å; Q454-V456 PolarHBondContact O-N 3.44Å; Q454-V456 VanDerWaalsContact O-N 3.11Å; Q454-H457 WeakPolarHBondContact O-CA 3.46Å; Q454-H457 PolarHBondContact O-N 3.45Å; Q454-S458 PolarHBondContact O-N 3.35Å
455	L	80.3	Confident	76.9	Confident	29 Å²	29	69.4 Å²	69.4	15%	0.152	37%	0.374	C	S	.	.	H	α-helix	trans	-58	-20.1	168.8	-62.5	176.3	0	0	0	114.7	K451 R452 H453 H457 G459 E460 P462 S473	K451-L455 PolarHBondContact O-N 2.97Å; R452-L455 HydrophobicContact CG-CD1 4.39Å; H453-L455 PolarHBondContact O-N 3.41Å; L455-H457 VanDerWaalsContact C-N 3.31Å; L455-G459 PolarHBondContact O-N 3.22Å; L455-E460 HydrophobicContact CD2-CB 3.89Å; L455-P462 HydrophobicContact CD1-CG 4.17Å; L455-P462 HydrophobicContact CD2-CG 4.09Å; L455-S473 WeakPolarHBondContact CD1-O 3.36Å
456	V	75.3	Confident	77.5	Confident	91 Å²	91	71 Å²	71	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-78.3	-20.2	173.8	-172.5	0	0	0	0	111.5	H453 Q454	H453-V456 WeakPolarHBondContact O-CA 3.42Å; H453-V456 WeakPolarHBondContact O-CB 3.48Å; H453-V456 WeakPolarHBondContact O-CG2 3.43Å; H453-V456 PolarHBondContact O-N 2.97Å; Q454-V456 PolarHBondContact O-N 3.44Å; Q454-V456 VanDerWaalsContact O-N 3.11Å
457	H	76.8	Confident	77.5	Confident	71 Å²	71	75 Å²	75	33%	0.329	39%	0.392	S	S	.	.	H	α-helix	trans	-98	-38.5	178.2	-62.2	-67.9	0	0	0	112.7	C437 V439 C440 H453 Q454 L455 G459	C437-H457 VanDerWaalsContact SG-CD2 3.57Å; C437-H457 PolarHBondContact SG-NE2 2.91Å; V439-H457 HydrophobicContact CB-CB 4.45Å; V439-H457 HydrophobicContact CG1-CB 4.22Å; V439-H457 WeakPolarHBondContact CG1-ND1 3.38Å; V439-H457 HydrophobicContact CG2-CB 4.39Å; C440-H457 PolarHBondContact SG-NE2 3.32Å; H453-H457 AromaticContact CD2-NE2 3.81Å; H453-H457 AromaticContact CE1-NE2 3.61Å; H453-H457 AromaticContact NE2-CD2 3.97Å; H453-H457 AromaticContact NE2-NE2 3.14Å; H453-H457 PolarHBondContact NE2-NE2 3.31Å; H453-H457 VanDerWaalsContact NE2-NE2 3.14Å; Q454-H457 WeakPolarHBondContact O-CA 3.46Å; Q454-H457 PolarHBondContact O-N 3.45Å; L455-H457 VanDerWaalsContact C-N 3.31Å; H457-G459 PolarHBondContact O-N 3.44Å
458	S	75.8	Confident	77.7	Confident	65 Å²	65	74.1 Å²	74.1	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-72.3	-18.5	170.5	62.8	0	0	0	0	112.7	Q454 E460	Q454-S458 PolarHBondContact O-N 3.35Å; S458-E460 WeakPolarHBondContact CB-OE2 3.41Å; S458-E460 PolarHBondContact O-N 2.96Å; S458-E460 WeakPolarHBondContact OG-CB 3.3Å; S458-E460 VanDerWaalsContact OG-CD 3.31Å; S458-E460 WeakPolarHBondContact OG-CG 3.46Å; S458-E460 PolarHBondContact OG-OE2 3.5Å
459	G	72.8	Confident	77.7	Confident	47 Å²	47	80.4 Å²	80.4	49%	0.485	41%	0.411	S	S	.	.			trans	74.7	-5.2	-176.4	0	0	0	0	0	114	L455 H457	L455-G459 PolarHBondContact O-N 3.22Å; H457-G459 PolarHBondContact O-N 3.44Å
460	E	73.2	Confident	77.7	Confident	116 Å²	116	83.2 Å²	83.2	54%	0.542	42%	0.42	S	S	.	.			trans	-62.2	139.7	-179.5	-65.3	165.9	137.6	0	0	111.6	L455 S458	L455-E460 HydrophobicContact CD2-CB 3.89Å; S458-E460 WeakPolarHBondContact CB-OE2 3.41Å; S458-E460 PolarHBondContact O-N 2.96Å; S458-E460 WeakPolarHBondContact OG-CB 3.3Å; S458-E460 VanDerWaalsContact OG-CD 3.31Å; S458-E460 WeakPolarHBondContact OG-CG 3.46Å; S458-E460 PolarHBondContact OG-OE2 3.5Å
461	K	78.9	Confident	77.8	Confident	115 Å²	115	83.5 Å²	83.5	50%	0.5	42%	0.424	S	S	.	.			trans	-131.4	75.7	-176.9	-73	157.6	173.2	178.7	0	109.6	Y463 H464 A471 F472	K461-Y463 PolarHBondContact O-N 2.85Å; K461-H464 PolarHBondContact O-CE1 3.43Å; K461-H464 VanDerWaalsContact O-CE1 3.23Å; K461-A471 HydrophobicContact CB-CB 3.49Å; K461-A471 VanDerWaalsContact CB-CB 3.49Å; K461-A471 HydrophobicContact CD-CB 4.1Å; K461-A471 WeakPolarHBondContact CD-O 3.38Å; K461-A471 HydrophobicContact CG-CB 4.38Å; K461-F472 CarbonylContact C-O 3.25Å; K461-F472 WeakPolarHBondContact CA-O 3.42Å
462	P	78.1	Confident	77.9	Confident	66 Å²	66	78.6 Å²	78.6	43%	0.429	40%	0.403	S	S	.	.			trans	-58.4	-25.2	-172.3	-25.7	35.6	0	0	0	114.1	L455 H464	L455-P462 HydrophobicContact CD1-CG 4.17Å; L455-P462 HydrophobicContact CD2-CG 4.09Å; P462-H464 PolarHBondContact O-N 3.07Å; P462-H464 PolarHBondContact O-ND1 3.43Å; P462-H464 VanDerWaalsContact O-ND1 3.08Å
463	Y	79	Confident	78	Confident	92 Å²	92	76.6 Å²	76.6	36%	0.361	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	77.3	-172.8	-49.5	-71	0	0	0	111.1	K461 F472 P475	K461-Y463 PolarHBondContact O-N 2.85Å; Y463-F472 WeakPolarHBondContact CB-O 3.31Å; Y463-F472 WeakPolarHBondContact CD2-O 3.43Å; Y463-F472 PolarHBondContact N-O 3.43Å; Y463-F472 PolarHBondContact O-N 3.04Å; Y463-P475 HydrophobicContact CD1-CG 4.24Å; Y463-P475 HydrophobicContact CD2-CG 4.26Å; Y463-P475 HydrophobicContact CE1-CB 4.47Å; Y463-P475 HydrophobicContact CE1-CG 3.8Å; Y463-P475 HydrophobicContact CE2-CG 3.82Å; Y463-P475 HydrophobicContact CG-CG 4.46Å
464	H	79.5	Confident	78	Confident	118 Å²	118	77 Å²	77	55%	0.546	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.4	173.2	-58.9	81	0	0	0	111.1	K461 P462 K478	K461-H464 PolarHBondContact O-CE1 3.43Å; K461-H464 VanDerWaalsContact O-CE1 3.23Å; P462-H464 PolarHBondContact O-N 3.07Å; P462-H464 PolarHBondContact O-ND1 3.43Å; P462-H464 VanDerWaalsContact O-ND1 3.08Å; H464-K478 VanDerWaalsContact O-CD 3.22Å; H464-K478 WeakPolarHBondContact O-CD 3.48Å; H464-K478 WeakPolarHBondContact O-CE 3.21Å; H464-K478 PolarHBondContact O-NZ 2.87Å
465	C	83.9	Confident	78	Confident	11 Å²	11	76.6 Å²	76.6	7%	0.074	41%	0.408	C	S	.	.			trans	-84.9	136.8	172.2	179.8	0	0	0	0	110.7	F467 C468 K470 F472 H481 H485	C465-F467 VanDerWaalsContact C-N 3.27Å; C465-F467 PolarHBondContact O-N 2.99Å; C465-C468 WeakPolarHBondContact CB-O 3.37Å; C465-K470 WeakPolarHBondContact CB-O 3.32Å; C465-K470 PolarHBondContact N-O 3.46Å; C465-F472 HydrophobicContact CB-CE2 4.41Å; C465-H481 VanDerWaalsContact SG-CD2 3.5Å; C465-H481 PolarHBondContact SG-NE2 2.89Å; C465-H481 VanDerWaalsContact SG-NE2 3.44Å; C465-H485 PolarHBondContact SG-NE2 3.5Å
466	D	79.1	Confident	77.9	Confident	112 Å²	112	79.7 Å²	79.7	60%	0.599	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10	-171.1	-33.5	-80.5	0	0	0	112.2	K478	D466-K478 IonicContact OD1-NZ 3.22Å; D466-K478 PolarHBondContact OD1-NZ 3.44Å; D466-K478 WeakPolarHBondContact OD2-CE 3.36Å; D466-K478 IonicContact OD2-NZ 3.98Å; D466-K478 PolarHBondContact OD2-NZ 3.09Å
467	F	73.9	Confident	78.1	Confident	149 Å²	149	76.2 Å²	76.2	65%	0.654	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-3.7	-178.9	-57.5	-75.9	0	0	0	114.1	C465 L482 H485	C465-F467 VanDerWaalsContact C-N 3.27Å; C465-F467 PolarHBondContact O-N 2.99Å; F467-L482 HydrophobicContact CD2-CD2 3.82Å; F467-L482 HydrophobicContact CE2-CD2 4.07Å; F467-H485 HydrophobicContact CB-CB 4.46Å; F467-H485 HydrophobicContact CD2-CB 4.28Å; F467-H485 HydrophobicContact CG-CB 4.49Å
468	C	80.9	Confident	78.3	Confident	32 Å²	32	74.9 Å²	74.9	22%	0.216	40%	0.402	C	S	.	.	S	Bend	trans	-170.2	164.1	170	69.3	0	0	0	0	111.5	C465 K470 H481 H485	C465-C468 WeakPolarHBondContact CB-O 3.37Å; C468-K470 PolarHBondContact O-N 3.39Å; C468-H481 PolarHBondContact SG-NE2 3.22Å; C468-H485 VanDerWaalsContact SG-CE1 3.54Å; C468-H485 PolarHBondContact SG-NE2 3.09Å; C468-H485 VanDerWaalsContact SG-NE2 3.42Å
469	D	75.2	Confident	78.3	Confident	170 Å²	170	77.4 Å²	77.4	91%	0.909	41%	0.409	S	S	*	.	S	Bend	trans	-67.9	13.6	-170.8	-37.1	-74.6	0	0	0	116	A471	D469-A471 PolarHBondContact O-N 3.27Å
470	K	76.9	Confident	78.4	Confident	120 Å²	120	80.8 Å²	80.8	52%	0.522	41%	0.407	S	S	.	.			trans	-81.8	106.1	179.8	-67.5	172	-169.1	136.8	0	109.9	C465 C468 F472	C465-K470 WeakPolarHBondContact CB-O 3.32Å; C465-K470 PolarHBondContact N-O 3.46Å; C468-K470 PolarHBondContact O-N 3.39Å; K470-F472 HydrophobicContact CB-CE2 3.75Å; K470-F472 HydrophobicContact CB-CZ 3.89Å; K470-F472 WeakPolarHBondContact O-CD2 3.43Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å
471	A	81.4	Confident	78.7	Confident	22 Å²	22	76 Å²	76	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	145.8	172.6	0	0	0	0	0	112.5	K461 D469	K461-A471 HydrophobicContact CB-CB 3.49Å; K461-A471 VanDerWaalsContact CB-CB 3.49Å; K461-A471 HydrophobicContact CD-CB 4.1Å; K461-A471 WeakPolarHBondContact CD-O 3.38Å; K461-A471 HydrophobicContact CG-CB 4.38Å; D469-A471 PolarHBondContact O-N 3.27Å
472	F	80.4	Confident	78.5	Confident	48 Å²	48	72.2 Å²	72.2	21%	0.211	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.7	-175.1	-59.6	-90.7	0	0	0	112.7	K461 Y463 C465 K470 A477 K478 H481	K461-F472 CarbonylContact C-O 3.25Å; K461-F472 WeakPolarHBondContact CA-O 3.42Å; Y463-F472 WeakPolarHBondContact CB-O 3.31Å; Y463-F472 WeakPolarHBondContact CD2-O 3.43Å; Y463-F472 PolarHBondContact N-O 3.43Å; Y463-F472 PolarHBondContact O-N 3.04Å; C465-F472 HydrophobicContact CB-CE2 4.41Å; K470-F472 HydrophobicContact CB-CE2 3.75Å; K470-F472 HydrophobicContact CB-CZ 3.89Å; K470-F472 WeakPolarHBondContact O-CD2 3.43Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å; F472-A477 HydrophobicContact CB-CB 4.12Å; F472-A477 HydrophobicContact CD1-CB 3.83Å; F472-A477 HydrophobicContact CG-CB 4.23Å; F472-K478 HydrophobicContact CD2-CB 4.26Å; F472-H481 HydrophobicContact CE1-CB 4.16Å; F472-H481 HydrophobicContact CE2-CB 3.81Å; F472-H481 AromaticContact CE2-CD2 3.26Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.47Å; F472-H481 AromaticContact CE2-CG 3.66Å; F472-H481 HydrophobicContact CZ-CB 3.49Å; F472-H481 VanDerWaalsContact CZ-CB 3.49Å; F472-H481 AromaticContact CZ-CD2 3.45Å; F472-H481 VanDerWaalsContact CZ-CD2 3.45Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.17Å; F472-H481 AromaticContact CZ-CG 3.38Å
473	S	78.5	Confident	78.3	Confident	39 Å²	39	72.8 Å²	72.8	27%	0.273	37%	0.366	S	S	.	.	S	Bend	trans	-94.2	1.1	175.8	52.9	0	0	0	0	114.3	R452 L455	R452-S473 WeakPolarHBondContact CG-O 3.46Å; L455-S473 WeakPolarHBondContact CD1-O 3.36Å
474	D	79.1	Confident	77.9	Confident	32 Å²	32	71.4 Å²	71.4	17%	0.171	37%	0.368	C	S	.	.	S	Bend	trans	-135	130.3	177.5	-168.9	-45.4	0	0	0	110.1	R452 T476 A477 K478	R452-D474 WeakPolarHBondContact CD-OD2 3.41Å; R452-D474 IonicContact CZ-OD2 2.79Å; R452-D474 IonicContact NE-OD2 2.69Å; R452-D474 IonicContact NH1-OD2 2.61Å; R452-D474 PolarHBondContact NH1-OD2 3.49Å; D474-T476 PolarHBondContact O-N 3.46Å; D474-T476 WeakPolarHBondContact OD1-CA 3.44Å; D474-T476 WeakPolarHBondContact OD1-CB 3.46Å; D474-T476 PolarHBondContact OD1-N 2.83Å; D474-T476 PolarHBondContact OD1-OG1 3.3Å; D474-A477 HydrophobicContact CB-CB 3.91Å; D474-A477 WeakPolarHBondContact O-CA 3.41Å; D474-A477 WeakPolarHBondContact O-CB 3.26Å; D474-A477 PolarHBondContact O-N 3.12Å; D474-K478 PolarHBondContact O-N 3.38Å
475	P	78.2	Confident	77.4	Confident	63 Å²	63	68.9 Å²	68.9	41%	0.409	36%	0.356	S	S	.	.	H	α-helix	trans	-55.3	-36.8	174.9	-22	30.5	0	0	0	112.7	Y463 A477 K478 M479	Y463-P475 HydrophobicContact CD1-CG 4.24Å; Y463-P475 HydrophobicContact CD2-CG 4.26Å; Y463-P475 HydrophobicContact CE1-CB 4.47Å; Y463-P475 HydrophobicContact CE1-CG 3.8Å; Y463-P475 HydrophobicContact CE2-CG 3.82Å; Y463-P475 HydrophobicContact CG-CG 4.46Å; P475-A477 PolarHBondContact O-N 3.31Å; P475-K478 PolarHBondContact O-N 2.61Å; P475-M479 WeakPolarHBondContact O-CB 3.4Å; P475-M479 PolarHBondContact O-N 3.43Å
476	T	79	Confident	76.7	Confident	94 Å²	94	71.4 Å²	71.4	58%	0.577	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-30.1	176.3	-29.9	0	0	0	0	111.2	D474 R480	D474-T476 PolarHBondContact O-N 3.46Å; D474-T476 WeakPolarHBondContact OD1-CA 3.44Å; D474-T476 WeakPolarHBondContact OD1-CB 3.46Å; D474-T476 PolarHBondContact OD1-N 2.83Å; D474-T476 PolarHBondContact OD1-OG1 3.3Å; T476-R480 WeakPolarHBondContact O-CB 3.48Å; T476-R480 PolarHBondContact O-N 2.77Å; T476-R480 VanDerWaalsContact O-N 3.11Å
477	A	79.3	Confident	75.8	Confident	19 Å²	19	70.6 Å²	70.6	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-78.1	-37.6	175.3	0	0	0	0	0	112.4	F472 D474 P475 H481	F472-A477 HydrophobicContact CB-CB 4.12Å; F472-A477 HydrophobicContact CD1-CB 3.83Å; F472-A477 HydrophobicContact CG-CB 4.23Å; D474-A477 HydrophobicContact CB-CB 3.91Å; D474-A477 WeakPolarHBondContact O-CA 3.41Å; D474-A477 WeakPolarHBondContact O-CB 3.26Å; D474-A477 PolarHBondContact O-N 3.12Å; P475-A477 PolarHBondContact O-N 3.31Å; A477-H481 WeakPolarHBondContact O-CB 3.45Å; A477-H481 PolarHBondContact O-N 3.15Å; A477-H481 VanDerWaalsContact O-N 3.15Å
478	K	80.3	Confident	75	Confident	42 Å²	42	71.5 Å²	71.5	18%	0.183	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-53.3	167.8	174.2	176.6	175.7	162.9	0	110.4	H464 D466 F472 D474 P475 R480 H481 L482	H464-K478 VanDerWaalsContact O-CD 3.22Å; H464-K478 WeakPolarHBondContact O-CD 3.48Å; H464-K478 WeakPolarHBondContact O-CE 3.21Å; H464-K478 PolarHBondContact O-NZ 2.87Å; D466-K478 IonicContact OD1-NZ 3.22Å; D466-K478 PolarHBondContact OD1-NZ 3.44Å; D466-K478 WeakPolarHBondContact OD2-CE 3.36Å; D466-K478 IonicContact OD2-NZ 3.98Å; D466-K478 PolarHBondContact OD2-NZ 3.09Å; F472-K478 HydrophobicContact CD2-CB 4.26Å; D474-K478 PolarHBondContact O-N 3.38Å; P475-K478 PolarHBondContact O-N 2.61Å; K478-R480 VanDerWaalsContact C-N 3.35Å; K478-R480 PolarHBondContact O-N 3.16Å; K478-H481 CarbonylContact O-C 3.16Å; K478-H481 WeakPolarHBondContact O-CA 3.39Å; K478-H481 WeakPolarHBondContact O-CB 3.36Å; K478-H481 PolarHBondContact O-N 3.35Å; K478-L482 HydrophobicContact CG-CD1 4.24Å; K478-L482 HydrophobicContact CG-CG 4.31Å; K478-L482 PolarHBondContact O-N 2.87Å
479	M	76.5	Confident	73.9	Confident	118 Å²	118	77.1 Å²	77.1	58%	0.581	40%	0.395	S	S	*	.	H	α-helix	trans	-54.7	-49.1	-178.8	-172.3	61.1	69.6	0	0	112	P475 H481 L482 E483	P475-M479 WeakPolarHBondContact O-CB 3.4Å; P475-M479 PolarHBondContact O-N 3.43Å; M479-H481 PolarHBondContact O-N 3.43Å; M479-H481 VanDerWaalsContact O-N 3.14Å; M479-L482 WeakPolarHBondContact O-CB 3.46Å; M479-L482 PolarHBondContact O-N 3.5Å; M479-E483 PolarHBondContact O-N 2.91Å; M479-E483 VanDerWaalsContact O-N 3.09Å
480	R	76.1	Confident	73.3	Confident	118 Å²	118	69.5 Å²	69.5	45%	0.445	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-7.1	177.4	-166	-177.9	68.3	149.7	-9.4	114.8	T476 K478 E483 Q502	T476-R480 WeakPolarHBondContact O-CB 3.48Å; T476-R480 PolarHBondContact O-N 2.77Å; T476-R480 VanDerWaalsContact O-N 3.11Å; K478-R480 VanDerWaalsContact C-N 3.35Å; K478-R480 PolarHBondContact O-N 3.16Å; R480-E483 WeakPolarHBondContact CG-OE2 3.3Å; R480-Q502 VanDerWaalsContact CD-CD 3.49Å; R480-Q502 HydrophobicContact CG-CG 3.79Å
481	H	79.3	Confident	72.8	Confident	17 Å²	17	66.4 Å²	66.4	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-99.7	-31	168.7	173.5	49.8	0	0	0	112.2	C465 C468 F472 A477 K478 M479 E483 T484 H485	C465-H481 VanDerWaalsContact SG-CD2 3.5Å; C465-H481 PolarHBondContact SG-NE2 2.89Å; C465-H481 VanDerWaalsContact SG-NE2 3.44Å; C468-H481 PolarHBondContact SG-NE2 3.22Å; F472-H481 HydrophobicContact CE1-CB 4.16Å; F472-H481 HydrophobicContact CE2-CB 3.81Å; F472-H481 AromaticContact CE2-CD2 3.26Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.47Å; F472-H481 AromaticContact CE2-CG 3.66Å; F472-H481 HydrophobicContact CZ-CB 3.49Å; F472-H481 VanDerWaalsContact CZ-CB 3.49Å; F472-H481 AromaticContact CZ-CD2 3.45Å; F472-H481 VanDerWaalsContact CZ-CD2 3.45Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.17Å; F472-H481 AromaticContact CZ-CG 3.38Å; A477-H481 WeakPolarHBondContact O-CB 3.45Å; A477-H481 PolarHBondContact O-N 3.15Å; A477-H481 VanDerWaalsContact O-N 3.15Å; K478-H481 CarbonylContact O-C 3.16Å; K478-H481 WeakPolarHBondContact O-CA 3.39Å; K478-H481 WeakPolarHBondContact O-CB 3.36Å; K478-H481 PolarHBondContact O-N 3.35Å; M479-H481 PolarHBondContact O-N 3.43Å; M479-H481 VanDerWaalsContact O-N 3.14Å; H481-E483 PolarHBondContact O-N 3.45Å; H481-T484 PolarHBondContact CE1-OG1 2.97Å; H481-T484 PolarHBondContact ND1-OG1 2.83Å; H481-T484 WeakPolarHBondContact O-CA 3.28Å; H481-T484 WeakPolarHBondContact O-CB 3.4Å; H481-T484 PolarHBondContact O-N 3.49Å; H481-T484 PolarHBondContact O-OG1 3.31Å; H481-H485 AromaticContact CD2-NE2 3.98Å; H481-H485 AromaticContact CE1-CD2 3.84Å; H481-H485 AromaticContact CE1-NE2 3.28Å; H481-H485 PolarHBondContact CE1-NE2 3.16Å; H481-H485 VanDerWaalsContact CE1-NE2 3.28Å; H481-H485 AromaticContact NE2-CD2 3.75Å; H481-H485 AromaticContact NE2-NE2 3.05Å; H481-H485 PolarHBondContact NE2-NE2 3.18Å
482	L	74.8	Confident	72.3	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.183	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-36.8	165.7	-62.3	175.2	0	0	0	110.4	F467 K478 M479 T484 H485 D486	F467-L482 HydrophobicContact CD2-CD2 3.82Å; F467-L482 HydrophobicContact CE2-CD2 4.07Å; K478-L482 HydrophobicContact CG-CD1 4.24Å; K478-L482 HydrophobicContact CG-CG 4.31Å; K478-L482 PolarHBondContact O-N 2.87Å; M479-L482 WeakPolarHBondContact O-CB 3.46Å; M479-L482 PolarHBondContact O-N 3.5Å; L482-T484 PolarHBondContact O-N 3.03Å; L482-H485 PolarHBondContact O-N 3.19Å; L482-D486 WeakPolarHBondContact O-CB 3.49Å; L482-D486 PolarHBondContact O-N 3.46Å
483	E	73.5	Confident	72.1	Confident	78 Å²	78	70.5 Å²	70.5	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-54.8	-8.1	166.1	-67.3	174.4	-176.7	0	0	115.6	M479 R480 H481 N501	M479-E483 PolarHBondContact O-N 2.91Å; M479-E483 VanDerWaalsContact O-N 3.09Å; R480-E483 WeakPolarHBondContact CG-OE2 3.3Å; H481-E483 PolarHBondContact O-N 3.45Å; E483-N501 HydrophobicContact CB-CB 3.94Å
484	T	69.2	Low	71.8	Confident	63 Å²	63	73.5 Å²	73.5	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-105.4	-13.8	173.9	63.9	0	0	0	0	114.2	H481 L482 T487 N501	H481-T484 PolarHBondContact CE1-OG1 2.97Å; H481-T484 PolarHBondContact ND1-OG1 2.83Å; H481-T484 WeakPolarHBondContact O-CA 3.28Å; H481-T484 WeakPolarHBondContact O-CB 3.4Å; H481-T484 PolarHBondContact O-N 3.49Å; H481-T484 PolarHBondContact O-OG1 3.31Å; L482-T484 PolarHBondContact O-N 3.03Å; T484-T487 WeakPolarHBondContact O-CG2 3.5Å; T484-N501 HydrophobicContact CG2-CB 4.02Å; T484-N501 VanDerWaalsContact CG2-ND2 3.28Å; T484-N501 WeakPolarHBondContact CG2-ND2 3.49Å
485	H	69.9	Low	71.4	Confident	65 Å²	65	77.7 Å²	77.7	30%	0.301	40%	0.397	S	S	.	.	H	α-helix	trans	-88.9	-33.9	166	-64.6	-73.6	0	0	0	111	C465 F467 C468 H481 L482 T487	C465-H485 PolarHBondContact SG-NE2 3.5Å; F467-H485 HydrophobicContact CB-CB 4.46Å; F467-H485 HydrophobicContact CD2-CB 4.28Å; F467-H485 HydrophobicContact CG-CB 4.49Å; C468-H485 VanDerWaalsContact SG-CE1 3.54Å; C468-H485 PolarHBondContact SG-NE2 3.09Å; C468-H485 VanDerWaalsContact SG-NE2 3.42Å; H481-H485 AromaticContact CD2-NE2 3.98Å; H481-H485 AromaticContact CE1-CD2 3.84Å; H481-H485 AromaticContact CE1-NE2 3.28Å; H481-H485 PolarHBondContact CE1-NE2 3.16Å; H481-H485 VanDerWaalsContact CE1-NE2 3.28Å; H481-H485 AromaticContact NE2-CD2 3.75Å; H481-H485 AromaticContact NE2-NE2 3.05Å; H481-H485 PolarHBondContact NE2-NE2 3.18Å; L482-H485 PolarHBondContact O-N 3.19Å; H485-T487 PolarHBondContact O-N 2.86Å
486	D	69.4	Low	71.2	Confident	64 Å²	64	76.3 Å²	76.3	34%	0.342	39%	0.389	S	S	.	.			trans	-72.5	60.6	174.8	-141.5	-5.2	0	0	0	110.5	L482 E488 K489	L482-D486 WeakPolarHBondContact O-CB 3.49Å; L482-D486 PolarHBondContact O-N 3.46Å; D486-E488 PolarHBondContact O-N 3.49Å; D486-K489 PolarHBondContact O-N 3.45Å; D486-K489 VanDerWaalsContact O-N 3.15Å; D486-K489 IonicContact OD1-NZ 3.16Å; D486-K489 PolarHBondContact OD1-NZ 3.07Å; D486-K489 WeakPolarHBondContact OD2-CD 3.45Å; D486-K489 IonicContact OD2-NZ 3.81Å; D486-K489 PolarHBondContact OD2-NZ 3.12Å
487	T	61	Low	70.9	Confident	95 Å²	95	79.5 Å²	79.5	58%	0.583	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	18.5	-175.2	61.2	0	0	0	0	113.5	T484 H485 R499	T484-T487 WeakPolarHBondContact O-CG2 3.5Å; H485-T487 PolarHBondContact O-N 2.86Å; T487-R499 VanDerWaalsContact C-NH2 3.32Å; T487-R499 PolarHBondContact O-NH1 3.43Å; T487-R499 PolarHBondContact O-NH2 2.79Å
488	E	56.5	Low	70.5	Confident	167 Å²	167	84.9 Å²	84.9	78%	0.78	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-45.4	166.2	-59	-162.8	147.7	0	0	111.4	D486 G490 R499	D486-E488 PolarHBondContact O-N 3.49Å; E488-G490 VanDerWaalsContact C-N 3.29Å; E488-G490 PolarHBondContact O-N 3.04Å; E488-R499 VanDerWaalsContact C-NH2 3.28Å; E488-R499 PolarHBondContact O-NH2 2.98Å
489	K	57.7	Low	70.1	Confident	151 Å²	151	87.6 Å²	87.6	66%	0.657	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11	-177.2	-53.6	-167	-168	77	0	114.5	D486 N491	D486-K489 PolarHBondContact O-N 3.45Å; D486-K489 VanDerWaalsContact O-N 3.15Å; D486-K489 IonicContact OD1-NZ 3.16Å; D486-K489 PolarHBondContact OD1-NZ 3.07Å; D486-K489 WeakPolarHBondContact OD2-CD 3.45Å; D486-K489 IonicContact OD2-NZ 3.81Å; D486-K489 PolarHBondContact OD2-NZ 3.12Å; K489-N491 PolarHBondContact O-N 3.49Å
490	G	62.8	Low	69.9	Low	10 Å²	10	84.1 Å²	84.1	10%	0.103	41%	0.413	C	S	.	.	S	Bend	trans	-58.7	118	175.7	0	0	0	0	0	113	E488 K492 R499	E488-G490 VanDerWaalsContact C-N 3.29Å; E488-G490 PolarHBondContact O-N 3.04Å; G490-K492 PolarHBondContact O-N 3.25Å; G490-K492 VanDerWaalsContact O-N 3.14Å; G490-R499 PolarHBondContact O-NE 3.3Å; G490-R499 PolarHBondContact O-NH2 3.45Å
491	N	65.7	Low	69.6	Low	54 Å²	54	80.5 Å²	80.5	29%	0.289	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	113.7	-173.7	-52.8	-96.9	0	0	0	111.9	K489 R499 F500 N501 L506	K489-N491 PolarHBondContact O-N 3.49Å; N491-R499 WeakPolarHBondContact O-CA 3.47Å; N491-F500 WeakPolarHBondContact CB-O 3.44Å; N491-F500 PolarHBondContact N-O 3.29Å; N491-F500 PolarHBondContact ND2-O 2.76Å; N491-F500 PolarHBondContact O-N 3.31Å; N491-N501 PolarHBondContact ND2-O 3.3Å; N491-L506 HydrophobicContact CB-CB 4.49Å; N491-L506 HydrophobicContact CB-CD2 3.66Å
492	K	70.8	Confident	69.2	Low	147 Å²	147	82.1 Å²	82.1	64%	0.639	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	148.5	177.2	-57	-170.8	178.8	-177.4	0	110.8	G490 R499	G490-K492 PolarHBondContact O-N 3.25Å; G490-K492 VanDerWaalsContact O-N 3.14Å; K492-R499 HydrophobicContact CB-CG 4.43Å; K492-R499 HydrophobicContact CG-CG 4.03Å
493	C	76.3	Confident	69.1	Low	9 Å²	9	85 Å²	85	6%	0.061	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.1	170	-176	0	0	0	0	110.5	H495 C496 K498 L506 H509 H513	C493-H495 PolarHBondContact O-N 3.08Å; C493-C496 WeakPolarHBondContact CB-O 3.34Å; C493-C496 PolarHBondContact O-N 3.31Å; C493-K498 WeakPolarHBondContact CB-O 3.21Å; C493-K498 PolarHBondContact N-O 3.19Å; C493-K498 VanDerWaalsContact N-O 3.15Å; C493-L506 HydrophobicContact CB-CD1 3.79Å; C493-H509 VanDerWaalsContact SG-CD2 3.57Å; C493-H513 PolarHBondContact SG-CD2 3.3Å; C493-H513 PolarHBondContact SG-NE2 3.5Å; C493-H513 VanDerWaalsContact SG-NE2 3.42Å
494	P	73.3	Confident	69.1	Low	102 Å²	102	84 Å²	84	66%	0.662	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.2	176.6	26.1	-36.6	0	0	0	115.3	L510	P494-L510 HydrophobicContact CG-CD2 4.13Å
495	H	68.9	Low	69.3	Low	121 Å²	121	84.2 Å²	84.2	56%	0.56	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-0.1	-177	-54.5	-58.1	0	0	0	114.1	C493 H513	C493-H495 PolarHBondContact O-N 3.08Å; H495-H513 HydrophobicContact CB-CB 3.9Å; H495-H513 VanDerWaalsContact CB-CG 3.48Å; H495-H513 PolarHBondContact O-CE1 3.1Å
496	C	75.8	Confident	69.5	Low	34 Å²	34	82.1 Å²	82.1	23%	0.23	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	163.3	166.8	67.1	0	0	0	0	110.9	C493 K498 H509 H513	C493-C496 WeakPolarHBondContact CB-O 3.34Å; C493-C496 PolarHBondContact O-N 3.31Å; C496-K498 PolarHBondContact O-N 3.26Å; C496-H509 PolarHBondContact SG-NE2 3.13Å; C496-H513 PolarHBondContact SG-CE1 2.87Å; C496-H513 PolarHBondContact SG-NE2 3.39Å
497	D	72.4	Confident	69.6	Low	160 Å²	160	86.2 Å²	86.2	86%	0.856	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	8.3	-175.2	-44.3	-75.1	0	0	0	115.5
498	K	70.8	Confident	70	Confident	132 Å²	132	83.3 Å²	83.3	57%	0.574	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.2	178.1	-63.4	176.1	-175.5	169.1	0	110.2	C493 C496 F500	C493-K498 WeakPolarHBondContact CB-O 3.21Å; C493-K498 PolarHBondContact N-O 3.19Å; C493-K498 VanDerWaalsContact N-O 3.15Å; C496-K498 PolarHBondContact O-N 3.26Å; K498-F500 HydrophobicContact CB-CE2 3.72Å; K498-F500 HydrophobicContact CB-CZ 3.88Å; K498-F500 WeakPolarHBondContact O-CE2 3.47Å
499	R	71.5	Confident	70.7	Confident	100 Å²	100	76 Å²	76	38%	0.377	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.7	-172.3	-58.4	-179.5	56.3	-145.7	-1.3	110.6	T487 E488 G490 N491 K492	T487-R499 VanDerWaalsContact C-NH2 3.32Å; T487-R499 PolarHBondContact O-NH1 3.43Å; T487-R499 PolarHBondContact O-NH2 2.79Å; E488-R499 VanDerWaalsContact C-NH2 3.28Å; E488-R499 PolarHBondContact O-NH2 2.98Å; G490-R499 PolarHBondContact O-NE 3.3Å; G490-R499 PolarHBondContact O-NH2 3.45Å; N491-R499 WeakPolarHBondContact O-CA 3.47Å; K492-R499 HydrophobicContact CB-CG 4.43Å; K492-R499 HydrophobicContact CG-CG 4.03Å
500	F	72.5	Confident	71.4	Confident	44 Å²	44	71 Å²	71	19%	0.193	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.6	-168.8	-59.8	-90.4	0	0	0	110.6	N491 K498 Q502 N505 L506 H509	N491-F500 WeakPolarHBondContact CB-O 3.44Å; N491-F500 PolarHBondContact N-O 3.29Å; N491-F500 PolarHBondContact ND2-O 2.76Å; N491-F500 PolarHBondContact O-N 3.31Å; K498-F500 HydrophobicContact CB-CE2 3.72Å; K498-F500 HydrophobicContact CB-CZ 3.88Å; K498-F500 WeakPolarHBondContact O-CE2 3.47Å; F500-Q502 VanDerWaalsContact C-N 3.34Å; F500-Q502 PolarHBondContact O-N 2.82Å; F500-N505 HydrophobicContact CB-CB 4.3Å; F500-N505 HydrophobicContact CD1-CB 3.97Å; F500-N505 HydrophobicContact CG-CB 4.49Å; F500-L506 HydrophobicContact CB-CB 4.07Å; F500-L506 HydrophobicContact CD2-CB 4.27Å; F500-L506 HydrophobicContact CD2-CD1 3.91Å; F500-L506 HydrophobicContact CE2-CD1 4.37Å; F500-L506 HydrophobicContact CG-CB 4.32Å; F500-H509 HydrophobicContact CE1-CB 3.92Å; F500-H509 HydrophobicContact CE2-CB 3.88Å; F500-H509 AromaticContact CE2-CD2 3.13Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.39Å; F500-H509 AromaticContact CE2-CG 3.48Å; F500-H509 VanDerWaalsContact CE2-CG 3.48Å; F500-H509 AromaticContact CE2-NE2 3.75Å; F500-H509 HydrophobicContact CZ-CB 3.54Å; F500-H509 AromaticContact CZ-CD2 3.4Å; F500-H509 VanDerWaalsContact CZ-CD2 3.4Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.44Å; F500-H509 AromaticContact CZ-CG 3.23Å; F500-H509 AromaticContact CZ-ND1 3.7Å; F500-H509 AromaticContact CZ-NE2 3.92Å
501	N	70.1	Confident	71.7	Confident	43 Å²	43	74.3 Å²	74.3	23%	0.23	39%	0.387	C	S	.	.	S	Bend	trans	-53.2	-52.3	172.3	55.5	-3.7	0	0	0	111.3	E483 T484 N491	E483-N501 HydrophobicContact CB-CB 3.94Å; T484-N501 HydrophobicContact CG2-CB 4.02Å; T484-N501 VanDerWaalsContact CG2-ND2 3.28Å; T484-N501 WeakPolarHBondContact CG2-ND2 3.49Å; N491-N501 PolarHBondContact ND2-O 3.3Å
502	Q	71.4	Confident	71.7	Confident	51 Å²	51	76.8 Å²	76.8	24%	0.238	40%	0.399	C	S	.	.	S	Bend	trans	-92.1	128.6	-176.8	-69.9	157.3	88.7	0	0	112.5	R480 F500 G504 N505 L506	R480-Q502 VanDerWaalsContact CD-CD 3.49Å; R480-Q502 HydrophobicContact CG-CG 3.79Å; F500-Q502 VanDerWaalsContact C-N 3.34Å; F500-Q502 PolarHBondContact O-N 2.82Å; Q502-G504 PolarHBondContact O-N 3.28Å; Q502-G504 VanDerWaalsContact O-N 3.16Å; Q502-N505 HydrophobicContact CB-CB 4.18Å; Q502-N505 PolarHBondContact NE2-ND2 3.14Å; Q502-N505 WeakPolarHBondContact O-CA 3.32Å; Q502-N505 WeakPolarHBondContact O-CB 3.43Å; Q502-N505 PolarHBondContact O-N 3.48Å; Q502-L506 PolarHBondContact O-N 3.42Å
503	V	71.6	Confident	71.4	Confident	96 Å²	96	72.9 Å²	72.9	58%	0.582	38%	0.382	S	S	*	.	H	α-helix	trans	-53.4	-34.2	169.3	-176.8	0	0	0	0	111.9	N505 L506 K507	V503-N505 VanDerWaalsContact C-N 3.34Å; V503-N505 PolarHBondContact O-N 3.26Å; V503-L506 PolarHBondContact O-N 3.44Å; V503-K507 WeakPolarHBondContact O-CB 3.47Å; V503-K507 PolarHBondContact O-N 3.46Å
504	G	72.8	Confident	70.9	Confident	55 Å²	55	77.5 Å²	77.5	57%	0.567	41%	0.405	S	S	*	.	H	α-helix	trans	-63.7	-36.2	174	0	0	0	0	0	113.6	Q502 A508	Q502-G504 PolarHBondContact O-N 3.28Å; Q502-G504 VanDerWaalsContact O-N 3.16Å; G504-A508 PolarHBondContact O-N 3.06Å
505	N	74.1	Confident	70	Confident	69 Å²	69	76.4 Å²	76.4	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-74.8	-41	175.8	-67.3	-13.9	0	0	0	110.8	F500 Q502 V503 K507 A508 H509	F500-N505 HydrophobicContact CB-CB 4.3Å; F500-N505 HydrophobicContact CD1-CB 3.97Å; F500-N505 HydrophobicContact CG-CB 4.49Å; Q502-N505 HydrophobicContact CB-CB 4.18Å; Q502-N505 PolarHBondContact NE2-ND2 3.14Å; Q502-N505 WeakPolarHBondContact O-CA 3.32Å; Q502-N505 WeakPolarHBondContact O-CB 3.43Å; Q502-N505 PolarHBondContact O-N 3.48Å; V503-N505 VanDerWaalsContact C-N 3.34Å; V503-N505 PolarHBondContact O-N 3.26Å; N505-K507 VanDerWaalsContact C-N 3.33Å; N505-K507 PolarHBondContact O-N 3.39Å; N505-A508 WeakPolarHBondContact O-CB 3.42Å; N505-A508 PolarHBondContact O-N 3.24Å; N505-A508 VanDerWaalsContact O-N 3.12Å; N505-H509 WeakPolarHBondContact O-CB 3.45Å; N505-H509 PolarHBondContact O-N 2.71Å
506	L	73.3	Confident	69.3	Low	20 Å²	20	75.3 Å²	75.3	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-58.3	-45.2	170.8	177.1	57.6	0	0	0	111.1	N491 C493 F500 Q502 V503 A508 H509 L510	N491-L506 HydrophobicContact CB-CB 4.49Å; N491-L506 HydrophobicContact CB-CD2 3.66Å; C493-L506 HydrophobicContact CB-CD1 3.79Å; F500-L506 HydrophobicContact CB-CB 4.07Å; F500-L506 HydrophobicContact CD2-CB 4.27Å; F500-L506 HydrophobicContact CD2-CD1 3.91Å; F500-L506 HydrophobicContact CE2-CD1 4.37Å; F500-L506 HydrophobicContact CG-CB 4.32Å; Q502-L506 PolarHBondContact O-N 3.42Å; V503-L506 PolarHBondContact O-N 3.44Å; L506-A508 PolarHBondContact O-N 3.46Å; L506-H509 CarbonylContact O-C 3.6Å; L506-H509 PolarHBondContact O-N 2.88Å; L506-L510 HydrophobicContact CD1-CD1 4.11Å; L506-L510 HydrophobicContact CD1-CD2 4.46Å; L506-L510 HydrophobicContact CD1-CG 3.92Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.24Å; L506-L510 WeakPolarHBondContact O-CG 3.45Å; L506-L510 PolarHBondContact O-N 3.03Å
507	K	72.2	Confident	68.4	Low	150 Å²	150	74 Å²	74	65%	0.652	40%	0.395	S	S	*	.	H	α-helix	trans	-69.1	-19	177.3	-168.3	163	-173.3	165.3	0	113.8	V503 N505 K511	V503-K507 WeakPolarHBondContact O-CB 3.47Å; V503-K507 PolarHBondContact O-N 3.46Å; N505-K507 VanDerWaalsContact C-N 3.33Å; N505-K507 PolarHBondContact O-N 3.39Å; K507-K511 WeakPolarHBondContact O-CG 3.27Å
508	A	70	Confident	68	Low	34 Å²	34	70.1 Å²	70.1	28%	0.281	38%	0.379	S	S	.	.	H	α-helix	trans	-81.8	-32.9	168.1	0	0	0	0	0	112.3	G504 N505 L506	G504-A508 PolarHBondContact O-N 3.06Å; N505-A508 WeakPolarHBondContact O-CB 3.42Å; N505-A508 PolarHBondContact O-N 3.24Å; N505-A508 VanDerWaalsContact O-N 3.12Å; L506-A508 PolarHBondContact O-N 3.46Å
509	H	71.8	Confident	67.7	Low	15 Å²	15	66.8 Å²	66.8	7%	0.069	37%	0.367	C	S	.	.	H	α-helix	trans	-76.5	-36.4	177	172.2	61.9	0	0	0	113.5	C493 C496 F500 N505 L506 K511 I512 H513	C493-H509 VanDerWaalsContact SG-CD2 3.57Å; C496-H509 PolarHBondContact SG-NE2 3.13Å; F500-H509 HydrophobicContact CE1-CB 3.92Å; F500-H509 HydrophobicContact CE2-CB 3.88Å; F500-H509 AromaticContact CE2-CD2 3.13Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.39Å; F500-H509 AromaticContact CE2-CG 3.48Å; F500-H509 VanDerWaalsContact CE2-CG 3.48Å; F500-H509 AromaticContact CE2-NE2 3.75Å; F500-H509 HydrophobicContact CZ-CB 3.54Å; F500-H509 AromaticContact CZ-CD2 3.4Å; F500-H509 VanDerWaalsContact CZ-CD2 3.4Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.44Å; F500-H509 AromaticContact CZ-CG 3.23Å; F500-H509 AromaticContact CZ-ND1 3.7Å; F500-H509 AromaticContact CZ-NE2 3.92Å; N505-H509 WeakPolarHBondContact O-CB 3.45Å; N505-H509 PolarHBondContact O-N 2.71Å; L506-H509 CarbonylContact O-C 3.6Å; L506-H509 PolarHBondContact O-N 2.88Å; H509-K511 PolarHBondContact O-N 3.02Å; H509-K511 VanDerWaalsContact O-N 3.15Å; H509-I512 WeakPolarHBondContact O-CB 3.23Å; H509-I512 WeakPolarHBondContact O-CG1 3.47Å; H509-I512 PolarHBondContact O-N 3.47Å; H509-H513 AromaticContact CD2-NE2 3.89Å; H509-H513 AromaticContact CE1-CD2 3.93Å; H509-H513 AromaticContact CE1-NE2 3.29Å; H509-H513 PolarHBondContact CE1-NE2 2.61Å; H509-H513 VanDerWaalsContact CE1-NE2 3.29Å; H509-H513 AromaticContact NE2-CD2 3.61Å; H509-H513 AromaticContact NE2-NE2 2.98Å; H509-H513 PolarHBondContact NE2-NE2 2.76Å
510	L	70.8	Confident	67.9	Low	44 Å²	44	66.7 Å²	66.7	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-25.2	175.1	-76.6	167.8	0	0	0	112.8	P494 L506 I512 H513 I514	P494-L510 HydrophobicContact CG-CD2 4.13Å; L506-L510 HydrophobicContact CD1-CD1 4.11Å; L506-L510 HydrophobicContact CD1-CD2 4.46Å; L506-L510 HydrophobicContact CD1-CG 3.92Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.24Å; L506-L510 WeakPolarHBondContact O-CG 3.45Å; L506-L510 PolarHBondContact O-N 3.03Å; L510-I512 PolarHBondContact O-N 2.76Å; L510-H513 PolarHBondContact O-N 3.25Å; L510-I514 PolarHBondContact O-N 2.91Å
511	K	69.6	Low	68.3	Low	81 Å²	81	64.8 Å²	64.8	35%	0.352	36%	0.362	S	S	.	.	H	α-helix	trans	-73.6	6.7	170.5	-57.9	173.8	-177	-177.5	0	114.4	K507 H509 P518 T529	K507-K511 WeakPolarHBondContact O-CG 3.27Å; H509-K511 PolarHBondContact O-N 3.02Å; H509-K511 VanDerWaalsContact O-N 3.15Å; K511-P518 HydrophobicContact CD-CG 4.31Å; K511-T529 HydrophobicContact CB-CG2 4.08Å
512	I	65.9	Low	68.5	Low	106 Å²	106	72.7 Å²	72.7	54%	0.544	39%	0.394	S	S	.	.	H	α-helix	trans	-99.1	-33.4	168.8	-53.9	178.8	0	0	0	109.7	H509 L510 T529	H509-I512 WeakPolarHBondContact O-CB 3.23Å; H509-I512 WeakPolarHBondContact O-CG1 3.47Å; H509-I512 PolarHBondContact O-N 3.47Å; L510-I512 PolarHBondContact O-N 2.76Å; I512-T529 HydrophobicContact CD1-CG2 4.26Å; I512-T529 HydrophobicContact CG1-CG2 3.49Å; I512-T529 VanDerWaalsContact CG1-CG2 3.49Å
513	H	64.1	Low	68.8	Low	64 Å²	64	76.3 Å²	76.3	30%	0.296	41%	0.411	S	S	.	.	H	α-helix	trans	-82.7	-34.6	178.6	-64.4	-67.8	0	0	0	112.7	C493 H495 C496 H509 L510 A515	C493-H513 PolarHBondContact SG-CD2 3.3Å; C493-H513 PolarHBondContact SG-NE2 3.5Å; C493-H513 VanDerWaalsContact SG-NE2 3.42Å; H495-H513 HydrophobicContact CB-CB 3.9Å; H495-H513 VanDerWaalsContact CB-CG 3.48Å; H495-H513 PolarHBondContact O-CE1 3.1Å; C496-H513 PolarHBondContact SG-CE1 2.87Å; C496-H513 PolarHBondContact SG-NE2 3.39Å; H509-H513 AromaticContact CD2-NE2 3.89Å; H509-H513 AromaticContact CE1-CD2 3.93Å; H509-H513 AromaticContact CE1-NE2 3.29Å; H509-H513 PolarHBondContact CE1-NE2 2.61Å; H509-H513 VanDerWaalsContact CE1-NE2 3.29Å; H509-H513 AromaticContact NE2-CD2 3.61Å; H509-H513 AromaticContact NE2-NE2 2.98Å; H509-H513 PolarHBondContact NE2-NE2 2.76Å; L510-H513 PolarHBondContact O-N 3.25Å; H513-A515 PolarHBondContact O-N 3.14Å
514	I	66.9	Low	69.2	Low	106 Å²	106	74.1 Å²	74.1	54%	0.544	40%	0.399	S	S	.	.	S	Bend	trans	-66.5	105	159.1	-59.2	168.3	0	0	0	106	L510 D516	L510-I514 PolarHBondContact O-N 2.91Å; I514-D516 CarbonylContact O-C 3.49Å; I514-D516 PolarHBondContact O-N 3.14Å
515	A	54	Low	69.3	Low	80 Å²	80	73.6 Å²	73.6	66%	0.661	39%	0.394	S	S	*	.	S	Bend	trans	-60.7	-13.1	-173.2	0	0	0	0	0	114.2	H513 Q527	H513-A515 PolarHBondContact O-N 3.14Å; A515-Q527 PolarHBondContact O-NE2 3.32Å; A515-Q527 PolarHBondContact O-OE1 2.85Å
516	D	53.5	Low	69.4	Low	97 Å²	97	76.4 Å²	76.4	52%	0.519	40%	0.403	S	S	.	.	S	Bend	trans	-95.1	88.2	165.7	-97.3	20.4	0	0	0	111.6	I514 K520	I514-D516 CarbonylContact O-C 3.49Å; I514-D516 PolarHBondContact O-N 3.14Å; D516-K520 VanDerWaalsContact CG-CE 3.44Å; D516-K520 WeakPolarHBondContact OD1-CE 3.31Å; D516-K520 IonicContact OD1-NZ 3.34Å; D516-K520 PolarHBondContact OD1-NZ 2.9Å; D516-K520 WeakPolarHBondContact OD2-CE 3.24Å; D516-K520 IonicContact OD2-NZ 2.79Å; D516-K520 PolarHBondContact OD2-NZ 2.98Å
517	G	57.6	Low	69.4	Low	6 Å²	6	79.2 Å²	79.2	6%	0.062	42%	0.416	C	S	.	.			trans	-63	127.2	164	0	0	0	0	0	109.2	L519 Q527	G517-L519 PolarHBondContact O-N 3.34Å; G517-Q527 PolarHBondContact O-OE1 3.43Å
518	P	63.5	Low	69.5	Low	80 Å²	80	74.1 Å²	74.1	52%	0.519	39%	0.394	S	S	.	.	S	Bend	trans	-69.1	2.9	-163.2	27.7	-37.4	0	0	0	115.3	K511	K511-P518 HydrophobicContact CD-CG 4.31Å
519	L	65.1	Low	69.5	Low	61 Å²	61	74.3 Å²	74.3	32%	0.319	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	83.2	-176.3	-62.9	171.6	0	0	0	108.9	G517 F528 S531 L534	G517-L519 PolarHBondContact O-N 3.34Å; L519-F528 PolarHBondContact O-N 3.45Å; L519-S531 VanDerWaalsContact CD1-CA 3.5Å; L519-S531 VanDerWaalsContact CD1-N 3.31Å; L519-L534 HydrophobicContact CB-CD2 3.9Å
520	K	75.8	Confident	69.6	Low	99 Å²	99	76.7 Å²	76.7	43%	0.43	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.7	176.3	-55.1	-173.3	-179.3	-179.2	0	110.8	D516 Q527	D516-K520 VanDerWaalsContact CG-CE 3.44Å; D516-K520 WeakPolarHBondContact OD1-CE 3.31Å; D516-K520 IonicContact OD1-NZ 3.34Å; D516-K520 PolarHBondContact OD1-NZ 2.9Å; D516-K520 WeakPolarHBondContact OD2-CE 3.24Å; D516-K520 IonicContact OD2-NZ 2.79Å; D516-K520 PolarHBondContact OD2-NZ 2.98Å; K520-Q527 HydrophobicContact CG-CG 4.07Å
521	C	80.8	Confident	69.7	Low	4 Å²	4	78.5 Å²	78.5	3%	0.027	42%	0.424	C	S	.	.			trans	-73.8	127.9	169.5	-176.6	0	0	0	0	109.9	E523 G525 K526 F528 L534 H537	C521-E523 VanDerWaalsContact C-N 3.28Å; C521-E523 PolarHBondContact O-N 3.14Å; C521-G525 VanDerWaalsContact O-CA 3.29Å; C521-G525 WeakPolarHBondContact O-CA 3.45Å; C521-G525 PolarHBondContact O-N 3.07Å; C521-K526 WeakPolarHBondContact CB-O 3.36Å; C521-K526 PolarHBondContact N-O 3.33Å; C521-F528 HydrophobicContact CB-CE2 4.25Å; C521-L534 HydrophobicContact CB-CD1 3.88Å; C521-H537 PolarHBondContact SG-NE2 3.34Å
522	K	74.6	Confident	70.1	Confident	209 Å²	209	76.7 Å²	76.7	91%	0.909	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.9	-177.7	-69.1	-169.4	175.5	-171.5	0	113.9
523	E	77.6	Confident	70.8	Confident	126 Å²	126	74.6 Å²	74.6	59%	0.589	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-22.1	-169.9	-67.5	176.1	-122.9	0	0	114.2	C521 H541	C521-E523 VanDerWaalsContact C-N 3.28Å; C521-E523 PolarHBondContact O-N 3.14Å; E523-H541 WeakPolarHBondContact CB-CE1 3.34Å; E523-H541 VanDerWaalsContact CB-ND1 3.27Å; E523-H541 WeakPolarHBondContact CB-ND1 3.39Å; E523-H541 VanDerWaalsContact OE2-CB 3.32Å; E523-H541 WeakPolarHBondContact OE2-CB 3.28Å; E523-H541 IonicContact OE2-CE1 2.75Å; E523-H541 IonicContact OE2-CG 2.78Å; E523-H541 IonicContact OE2-ND1 2.65Å; E523-H541 PolarHBondContact OE2-ND1 2.98Å
524	C	78.6	Confident	71.5	Confident	50 Å²	50	72.7 Å²	72.7	34%	0.338	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	12.9	176.9	68	0	0	0	0	114.4	K526 H537 H541	C524-K526 PolarHBondContact O-N 3.38Å; C524-H537 VanDerWaalsContact SG-CE1 3.59Å; C524-H537 PolarHBondContact SG-NE2 3.12Å; C524-H541 PolarHBondContact SG-NE2 3.27Å
525	G	76.8	Confident	72.2	Confident	45 Å²	45	75.1 Å²	75.1	46%	0.464	42%	0.416	S	S	.	.			trans	68.3	-14.2	178.5	0	0	0	0	0	116.2	C521 Q527	C521-G525 VanDerWaalsContact O-CA 3.29Å; C521-G525 WeakPolarHBondContact O-CA 3.45Å; C521-G525 PolarHBondContact O-N 3.07Å; G525-Q527 WeakPolarHBondContact O-CG 3.48Å; G525-Q527 PolarHBondContact O-N 2.96Å
526	K	74.6	Confident	73.5	Confident	128 Å²	128	76.8 Å²	76.8	56%	0.557	41%	0.405	S	S	*	.			trans	-55.9	135.6	-174.8	-69.3	177.4	-172.1	170.7	0	111.9	C521 C524 F528	C521-K526 WeakPolarHBondContact CB-O 3.36Å; C521-K526 PolarHBondContact N-O 3.33Å; C524-K526 PolarHBondContact O-N 3.38Å; K526-F528 HydrophobicContact CB-CE2 3.81Å; K526-F528 HydrophobicContact CB-CZ 4.09Å; K526-F528 WeakPolarHBondContact O-CD2 3.4Å; K526-F528 VanDerWaalsContact O-CE2 3.24Å; K526-F528 WeakPolarHBondContact O-CE2 3.43Å
527	Q	74.9	Confident	74.8	Confident	79 Å²	79	73.3 Å²	73.3	37%	0.369	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.4	-168.8	-51	-152.2	43.7	0	0	111.8	A515 G517 K520 G525	A515-Q527 PolarHBondContact O-NE2 3.32Å; A515-Q527 PolarHBondContact O-OE1 2.85Å; G517-Q527 PolarHBondContact O-OE1 3.43Å; K520-Q527 HydrophobicContact CG-CG 4.07Å; G525-Q527 WeakPolarHBondContact O-CG 3.48Å; G525-Q527 PolarHBondContact O-N 2.96Å
528	F	73.6	Confident	76	Confident	42 Å²	42	75.9 Å²	75.9	18%	0.184	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.7	-175.7	-62	-89.2	0	0	0	112.1	L519 C521 K526 T530 N533 L534 H537	L519-F528 PolarHBondContact O-N 3.45Å; C521-F528 HydrophobicContact CB-CE2 4.25Å; K526-F528 HydrophobicContact CB-CE2 3.81Å; K526-F528 HydrophobicContact CB-CZ 4.09Å; K526-F528 WeakPolarHBondContact O-CD2 3.4Å; K526-F528 VanDerWaalsContact O-CE2 3.24Å; K526-F528 WeakPolarHBondContact O-CE2 3.43Å; F528-T530 VanDerWaalsContact C-N 3.29Å; F528-T530 PolarHBondContact O-N 3.49Å; F528-N533 HydrophobicContact CD1-CB 4.05Å; F528-L534 HydrophobicContact CB-CB 4.07Å; F528-L534 HydrophobicContact CD2-CB 4.14Å; F528-L534 HydrophobicContact CD2-CD1 3.77Å; F528-L534 HydrophobicContact CE2-CD1 4.11Å; F528-L534 HydrophobicContact CG-CB 4.15Å; F528-H537 HydrophobicContact CE1-CB 3.84Å; F528-H537 HydrophobicContact CE2-CB 4.1Å; F528-H537 AromaticContact CE2-CD2 3.17Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.5Å; F528-H537 AromaticContact CE2-CG 3.75Å; F528-H537 AromaticContact CE2-NE2 3.91Å; F528-H537 HydrophobicContact CZ-CB 3.5Å; F528-H537 AromaticContact CZ-CD2 3.23Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.41Å; F528-H537 AromaticContact CZ-CG 3.29Å; F528-H537 AromaticContact CZ-NE2 3.97Å
529	T	70.3	Confident	77	Confident	38 Å²	38	74 Å²	74	23%	0.233	38%	0.381	C	S	.	.	S	Bend	trans	-72.5	-20.8	177.7	51.3	0	0	0	0	114	K511 I512	K511-T529 HydrophobicContact CB-CG2 4.08Å; I512-T529 HydrophobicContact CD1-CG2 4.26Å; I512-T529 HydrophobicContact CG1-CG2 3.49Å; I512-T529 VanDerWaalsContact CG1-CG2 3.49Å
530	T	72.6	Confident	77.7	Confident	65 Å²	65	76 Å²	76	40%	0.399	40%	0.395	S	S	.	.	S	Bend	trans	-142.7	133.2	-168.1	-59.6	0	0	0	0	111.1	F528 G532 N533 L534	F528-T530 VanDerWaalsContact C-N 3.29Å; F528-T530 PolarHBondContact O-N 3.49Å; T530-G532 VanDerWaalsContact C-N 3.31Å; T530-G532 PolarHBondContact O-N 3.43Å; T530-N533 WeakPolarHBondContact O-CB 3.44Å; T530-N533 PolarHBondContact O-N 3.49Å; T530-L534 PolarHBondContact O-N 3.07Å; T530-L534 VanDerWaalsContact O-N 3.16Å
531	S	74	Confident	78	Confident	83 Å²	83	74.1 Å²	74.1	58%	0.58	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-34.2	-177.4	53.2	0	0	0	0	114.2	L519 N533 L534 K535	L519-S531 VanDerWaalsContact CD1-CA 3.5Å; L519-S531 VanDerWaalsContact CD1-N 3.31Å; S531-N533 PolarHBondContact O-N 2.75Å; S531-L534 PolarHBondContact O-N 2.8Å; S531-K535 WeakPolarHBondContact O-CB 3.38Å; S531-K535 PolarHBondContact O-N 3.04Å
532	G	78.1	Confident	77.9	Confident	43 Å²	43	77.1 Å²	77.1	44%	0.443	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-28	172.2	0	0	0	0	0	113.7	T530 R536	T530-G532 VanDerWaalsContact C-N 3.31Å; T530-G532 PolarHBondContact O-N 3.43Å; G532-R536 WeakPolarHBondContact O-CB 3.35Å; G532-R536 PolarHBondContact O-N 3.13Å
533	N	79.1	Confident	78.1	Confident	61 Å²	61	69.1 Å²	69.1	33%	0.326	39%	0.386	S	S	.	.	H	α-helix	trans	-84.4	-36.7	176.1	-68.2	-10.3	0	0	0	111.7	F528 T530 S531 R536 H537	F528-N533 HydrophobicContact CD1-CB 4.05Å; T530-N533 WeakPolarHBondContact O-CB 3.44Å; T530-N533 PolarHBondContact O-N 3.49Å; S531-N533 PolarHBondContact O-N 2.75Å; N533-R536 WeakPolarHBondContact O-CB 3.28Å; N533-R536 PolarHBondContact O-N 2.83Å; N533-R536 PolarHBondContact OD1-NH2 2.77Å; N533-H537 WeakPolarHBondContact O-CB 3.43Å; N533-H537 PolarHBondContact O-N 3.4Å
534	L	80.7	Confident	78.2	Confident	25 Å²	25	68.3 Å²	68.3	13%	0.131	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-50.2	169.6	175.6	58.6	0	0	0	111.1	L519 C521 F528 T530 S531 R536 H537 L538	L519-L534 HydrophobicContact CB-CD2 3.9Å; C521-L534 HydrophobicContact CB-CD1 3.88Å; F528-L534 HydrophobicContact CB-CB 4.07Å; F528-L534 HydrophobicContact CD2-CB 4.14Å; F528-L534 HydrophobicContact CD2-CD1 3.77Å; F528-L534 HydrophobicContact CE2-CD1 4.11Å; F528-L534 HydrophobicContact CG-CB 4.15Å; T530-L534 PolarHBondContact O-N 3.07Å; T530-L534 VanDerWaalsContact O-N 3.16Å; S531-L534 PolarHBondContact O-N 2.8Å; L534-R536 PolarHBondContact O-N 3.06Å; L534-H537 PolarHBondContact O-N 3.34Å; L534-H537 VanDerWaalsContact O-N 3.07Å; L534-L538 HydrophobicContact CD1-CD1 4.22Å; L534-L538 HydrophobicContact CD1-CD2 4.37Å; L534-L538 HydrophobicContact CD1-CG 4.02Å; L534-L538 HydrophobicContact CG-CD1 4.1Å; L534-L538 HydrophobicContact CG-CG 4.36Å; L534-L538 WeakPolarHBondContact O-CG 3.38Å; L534-L538 PolarHBondContact O-N 3.24Å
535	K	80	Confident	78.5	Confident	156 Å²	156	71.9 Å²	71.9	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-59	-35.5	178.1	-174.5	172.4	-177.8	178.1	0	112.1	S531	S531-K535 WeakPolarHBondContact O-CB 3.38Å; S531-K535 PolarHBondContact O-N 3.04Å
536	R	81.1	Confident	78.8	Confident	115 Å²	115	73.2 Å²	73.2	43%	0.434	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-48	173.7	-163	-166.4	-48	-151.3	6.5	111.9	G532 N533 L534 R539 D558	G532-R536 WeakPolarHBondContact O-CB 3.35Å; G532-R536 PolarHBondContact O-N 3.13Å; N533-R536 WeakPolarHBondContact O-CB 3.28Å; N533-R536 PolarHBondContact O-N 2.83Å; N533-R536 PolarHBondContact OD1-NH2 2.77Å; L534-R536 PolarHBondContact O-N 3.06Å; R536-R539 WeakPolarHBondContact O-CB 3.13Å; R536-R539 PolarHBondContact O-N 3.15Å; R536-D558 VanDerWaalsContact CD-OD1 3.3Å; R536-D558 WeakPolarHBondContact CD-OD1 3.44Å; R536-D558 WeakPolarHBondContact CD-OD2 3.47Å; R536-D558 WeakPolarHBondContact CG-OD1 3.28Å
537	H	82.6	Confident	79.2	Confident	25 Å²	25	70.5 Å²	70.5	12%	0.116	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-35.2	179.2	164.8	54.8	0	0	0	113	C521 C524 F528 N533 L534 R539 V540 H541	C521-H537 PolarHBondContact SG-NE2 3.34Å; C524-H537 VanDerWaalsContact SG-CE1 3.59Å; C524-H537 PolarHBondContact SG-NE2 3.12Å; F528-H537 HydrophobicContact CE1-CB 3.84Å; F528-H537 HydrophobicContact CE2-CB 4.1Å; F528-H537 AromaticContact CE2-CD2 3.17Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.5Å; F528-H537 AromaticContact CE2-CG 3.75Å; F528-H537 AromaticContact CE2-NE2 3.91Å; F528-H537 HydrophobicContact CZ-CB 3.5Å; F528-H537 AromaticContact CZ-CD2 3.23Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.41Å; F528-H537 AromaticContact CZ-CG 3.29Å; F528-H537 AromaticContact CZ-NE2 3.97Å; N533-H537 WeakPolarHBondContact O-CB 3.43Å; N533-H537 PolarHBondContact O-N 3.4Å; L534-H537 PolarHBondContact O-N 3.34Å; L534-H537 VanDerWaalsContact O-N 3.07Å; H537-R539 PolarHBondContact O-N 3.09Å; H537-R539 VanDerWaalsContact O-N 3.13Å; H537-V540 VanDerWaalsContact O-CB 3.24Å; H537-V540 WeakPolarHBondContact O-CB 3.28Å; H537-V540 WeakPolarHBondContact O-CG2 3.49Å; H537-V540 PolarHBondContact O-N 3.09Å; H537-H541 AromaticContact CE1-CD2 3.48Å; H537-H541 PolarHBondContact CE1-CD2 3.06Å; H537-H541 VanDerWaalsContact CE1-CD2 3.48Å; H537-H541 AromaticContact CE1-NE2 3.38Å; H537-H541 PolarHBondContact CE1-NE2 3.47Å; H537-H541 AromaticContact NE2-CD2 3.66Å; H537-H541 AromaticContact NE2-NE2 3.53Å
538	L	81.6	Confident	79.8	Confident	60 Å²	60	70.1 Å²	70.1	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-20.7	175	-70.2	171	0	0	0	113.1	L534 V540 H541 S542	L534-L538 HydrophobicContact CD1-CD1 4.22Å; L534-L538 HydrophobicContact CD1-CD2 4.37Å; L534-L538 HydrophobicContact CD1-CG 4.02Å; L534-L538 HydrophobicContact CG-CD1 4.1Å; L534-L538 HydrophobicContact CG-CG 4.36Å; L534-L538 WeakPolarHBondContact O-CG 3.38Å; L534-L538 PolarHBondContact O-N 3.24Å; L538-V540 VanDerWaalsContact C-N 3.26Å; L538-V540 PolarHBondContact O-N 3.38Å; L538-H541 WeakPolarHBondContact O-CA 3.4Å; L538-H541 WeakPolarHBondContact O-CB 3.4Å; L538-H541 PolarHBondContact O-N 3.24Å; L538-S542 PolarHBondContact O-N 3.02Å; L538-S542 PolarHBondContact O-OG 2.89Å
539	R	83.9	Confident	80.6	Confident	40 Å²	40	68.1 Å²	68.1	15%	0.151	37%	0.373	C	S	.	.	H	α-helix	trans	-71.7	-16.1	171.1	-61.6	-170	-69.7	-156.7	6.1	114.2	R536 H537 H541 G543 E544 Y547 S557 D558	R536-R539 WeakPolarHBondContact O-CB 3.13Å; R536-R539 PolarHBondContact O-N 3.15Å; H537-R539 PolarHBondContact O-N 3.09Å; H537-R539 VanDerWaalsContact O-N 3.13Å; R539-H541 VanDerWaalsContact C-N 3.3Å; R539-G543 PolarHBondContact O-N 3.35Å; R539-E544 HydrophobicContact CB-CB 4.3Å; R539-E544 HydrophobicContact CG-CB 4.18Å; R539-E544 PolarHBondContact O-N 3.09Å; R539-Y547 PolarHBondContact NH1-OH 3.23Å; R539-Y547 VanDerWaalsContact NH1-OH 3.15Å; R539-S557 PolarHBondContact NE-O 3.39Å; R539-S557 PolarHBondContact NH2-O 3.25Å; R539-D558 IonicContact CZ-OD1 2.69Å; R539-D558 IonicContact NH2-OD1 3.88Å; R539-D558 PolarHBondContact NH2-OD1 2.85Å
540	V	81.3	Confident	81.2	Confident	103 Å²	103	70 Å²	70	62%	0.624	39%	0.387	S	S	*	.	H	α-helix	trans	-73.6	-29.6	167.9	-174	0	0	0	0	110.4	H537 L538	H537-V540 VanDerWaalsContact O-CB 3.24Å; H537-V540 WeakPolarHBondContact O-CB 3.28Å; H537-V540 WeakPolarHBondContact O-CG2 3.49Å; H537-V540 PolarHBondContact O-N 3.09Å; L538-V540 VanDerWaalsContact C-N 3.26Å; L538-V540 PolarHBondContact O-N 3.38Å
541	H	80.4	Confident	81.8	Confident	60 Å²	60	72.8 Å²	72.8	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-84.8	-52.1	-178.8	-82.5	-86.1	0	0	0	112.6	E523 C524 H537 L538 R539 G543	E523-H541 WeakPolarHBondContact CB-CE1 3.34Å; E523-H541 VanDerWaalsContact CB-ND1 3.27Å; E523-H541 WeakPolarHBondContact CB-ND1 3.39Å; E523-H541 VanDerWaalsContact OE2-CB 3.32Å; E523-H541 WeakPolarHBondContact OE2-CB 3.28Å; E523-H541 IonicContact OE2-CE1 2.75Å; E523-H541 IonicContact OE2-CG 2.78Å; E523-H541 IonicContact OE2-ND1 2.65Å; E523-H541 PolarHBondContact OE2-ND1 2.98Å; C524-H541 PolarHBondContact SG-NE2 3.27Å; H537-H541 AromaticContact CE1-CD2 3.48Å; H537-H541 PolarHBondContact CE1-CD2 3.06Å; H537-H541 VanDerWaalsContact CE1-CD2 3.48Å; H537-H541 AromaticContact CE1-NE2 3.38Å; H537-H541 PolarHBondContact CE1-NE2 3.47Å; H537-H541 AromaticContact NE2-CD2 3.66Å; H537-H541 AromaticContact NE2-NE2 3.53Å; L538-H541 WeakPolarHBondContact O-CA 3.4Å; L538-H541 WeakPolarHBondContact O-CB 3.4Å; L538-H541 PolarHBondContact O-N 3.24Å; R539-H541 VanDerWaalsContact C-N 3.3Å; H541-G543 PolarHBondContact O-N 2.98Å
542	S	79.9	Confident	82.3	Confident	67 Å²	67	71.4 Å²	71.4	47%	0.469	39%	0.386	S	S	.	.	S	Bend	trans	-73.5	-3.3	177	65	0	0	0	0	114.3	L538 E544	L538-S542 PolarHBondContact O-N 3.02Å; L538-S542 PolarHBondContact O-OG 2.89Å; S542-E544 PolarHBondContact O-N 3.25Å; S542-E544 VanDerWaalsContact OG-CD 3.29Å; S542-E544 WeakPolarHBondContact OG-CG 3.41Å; S542-E544 PolarHBondContact OG-OE1 3.25Å
543	G	79.3	Confident	82.7	Confident	41 Å²	41	76.1 Å²	76.1	42%	0.423	40%	0.396	S	S	.	.			trans	67.7	-2	-175.3	0	0	0	0	0	114.9	R539 H541 K545	R539-G543 PolarHBondContact O-N 3.35Å; H541-G543 PolarHBondContact O-N 2.98Å; G543-K545 WeakPolarHBondContact O-CG 3.37Å; G543-K545 PolarHBondContact O-N 3.32Å
544	E	79.7	Confident	82.9	Confident	108 Å²	108	81 Å²	81	51%	0.505	41%	0.41	S	S	.	.			trans	-54.8	120.2	-178.1	-81.2	171.5	-130.4	0	0	112.1	R539 S542 P546	R539-E544 HydrophobicContact CB-CB 4.3Å; R539-E544 HydrophobicContact CG-CB 4.18Å; R539-E544 PolarHBondContact O-N 3.09Å; S542-E544 PolarHBondContact O-N 3.25Å; S542-E544 VanDerWaalsContact OG-CD 3.29Å; S542-E544 WeakPolarHBondContact OG-CG 3.41Å; S542-E544 PolarHBondContact OG-OE1 3.25Å; E544-P546 WeakPolarHBondContact O-CD 3.44Å
545	K	83.1	Confident	83.1	Confident	125 Å²	125	81.6 Å²	81.6	54%	0.543	42%	0.419	S	S	.	.			trans	-122.8	74.6	176.9	-69.7	157.4	-175.3	169.1	0	110.7	G543 Y547 A555 F556	G543-K545 WeakPolarHBondContact O-CG 3.37Å; G543-K545 PolarHBondContact O-N 3.32Å; K545-Y547 PolarHBondContact O-N 2.88Å; K545-Y547 VanDerWaalsContact O-N 3.12Å; K545-A555 HydrophobicContact CB-CB 3.55Å; K545-A555 HydrophobicContact CD-CB 4.15Å; K545-A555 HydrophobicContact CG-CB 4.41Å; K545-F556 CarbonylContact C-O 3.55Å; K545-F556 WeakPolarHBondContact CA-O 3.41Å
546	P	83.4	Confident	83.4	Confident	73 Å²	73	75.8 Å²	75.8	47%	0.474	39%	0.393	S	S	.	.			trans	-71.5	-5.9	-170.5	-18.1	33.4	0	0	0	115.1	E544	E544-P546 WeakPolarHBondContact O-CD 3.44Å
547	Y	84.1	Confident	83.5	Confident	72 Å²	72	72.1 Å²	72.1	28%	0.282	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	95.4	-173.1	-50.6	-76.8	0	0	0	109.4	R539 K545 F556 S557 P559	R539-Y547 PolarHBondContact NH1-OH 3.23Å; R539-Y547 VanDerWaalsContact NH1-OH 3.15Å; K545-Y547 PolarHBondContact O-N 2.88Å; K545-Y547 VanDerWaalsContact O-N 3.12Å; Y547-F556 WeakPolarHBondContact CD2-O 3.38Å; Y547-F556 PolarHBondContact N-O 2.9Å; Y547-F556 PolarHBondContact O-N 3.16Å; Y547-S557 WeakPolarHBondContact CE2-O 3.44Å; Y547-P559 HydrophobicContact CD1-CB 4Å; Y547-P559 HydrophobicContact CE1-CB 3.93Å; Y547-P559 HydrophobicContact CE1-CG 4.29Å; Y547-P559 HydrophobicContact CE2-CG 4.41Å; Y547-P559 HydrophobicContact CG-CB 4.33Å
548	V	86.6	Confident	83.5	Confident	70 Å²	70	72.7 Å²	72.7	42%	0.424	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.6	-179.3	-174.9	0	0	0	0	109.9	Q553 A555	V548-Q553 HydrophobicContact CG1-CB 4.44Å; V548-A555 HydrophobicContact CG2-CB 4.09Å
549	C	89.9	Confident	83.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.393	C	S	.	.			trans	-79.7	123.7	175.2	-172.6	0	0	0	0	111.5	H551 C552 Q553 R554 F556 L562	C549-H551 VanDerWaalsContact C-N 3.27Å; C549-H551 PolarHBondContact O-N 2.85Å; C549-C552 PolarHBondContact O-N 2.95Å; C549-Q553 VanDerWaalsContact O-CA 3.24Å; C549-Q553 WeakPolarHBondContact O-CA 3.48Å; C549-Q553 PolarHBondContact O-N 3.01Å; C549-R554 PolarHBondContact N-O 3.04Å; C549-F556 HydrophobicContact CB-CE2 4.32Å; C549-L562 HydrophobicContact CB-CD1 3.45Å; C549-L562 VanDerWaalsContact CB-CD1 3.45Å
550	S	84.7	Confident	83.5	Confident	77 Å²	77	72.8 Å²	72.8	54%	0.538	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.8	177.9	47.8	0	0	0	0	113.9
551	H	83.9	Confident	83.7	Confident	124 Å²	124	69.4 Å²	69.4	57%	0.574	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.8	-171.2	-62.2	-81	0	0	0	114.8	C549 H569	C549-H551 VanDerWaalsContact C-N 3.27Å; C549-H551 PolarHBondContact O-N 2.85Å; H551-H569 HydrophobicContact CB-CB 4.17Å
552	C	84.6	Confident	84	Confident	55 Å²	55	67.4 Å²	67.4	37%	0.372	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.2	6	-172.5	67.1	0	0	0	0	114.6	C549 R554 H565 H569	C549-C552 PolarHBondContact O-N 2.95Å; C552-R554 PolarHBondContact O-N 2.88Å; C552-R554 WeakPolarHBondContact SG-CB 3.4Å; C552-H565 PolarHBondContact SG-NE2 3.41Å; C552-H569 PolarHBondContact SG-NE2 3.05Å
553	Q	86.1	Confident	84.3	Confident	141 Å²	141	70.7 Å²	70.7	66%	0.659	39%	0.388	S	S	*	.			trans	53.2	13.6	-175.5	-55	-59.6	-18.3	0	0	115.6	V548 C549 A555	V548-Q553 HydrophobicContact CG1-CB 4.44Å; C549-Q553 VanDerWaalsContact O-CA 3.24Å; C549-Q553 WeakPolarHBondContact O-CA 3.48Å; C549-Q553 PolarHBondContact O-N 3.01Å; Q553-A555 PolarHBondContact O-N 3.49Å
554	R	83.5	Confident	84.5	Confident	164 Å²	164	74.5 Å²	74.5	62%	0.619	39%	0.39	S	S	*	.			trans	-73	122.5	179.2	-169.4	170.7	-178.5	144.3	2.6	110.1	C549 C552 F556	C549-R554 PolarHBondContact N-O 3.04Å; C552-R554 PolarHBondContact O-N 2.88Å; C552-R554 WeakPolarHBondContact SG-CB 3.4Å; R554-F556 HydrophobicContact CB-CE2 4.02Å; R554-F556 HydrophobicContact CB-CZ 4.33Å; R554-F556 HydrophobicContact CG-CE2 3.92Å; R554-F556 HydrophobicContact CG-CZ 3.85Å; R554-F556 VanDerWaalsContact O-CD2 3.27Å; R554-F556 WeakPolarHBondContact O-CD2 3.45Å; R554-F556 WeakPolarHBondContact O-CE2 3.24Å
555	A	86.1	Confident	84.8	Confident	38 Å²	38	70.7 Å²	70.7	31%	0.314	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.5	-177.1	0	0	0	0	0	112.8	K545 V548 Q553	K545-A555 HydrophobicContact CB-CB 3.55Å; K545-A555 HydrophobicContact CD-CB 4.15Å; K545-A555 HydrophobicContact CG-CB 4.41Å; V548-A555 HydrophobicContact CG2-CB 4.09Å; Q553-A555 PolarHBondContact O-N 3.49Å
556	F	85.1	Confident	84.9	Confident	34 Å²	34	67.3 Å²	67.3	15%	0.149	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.4	-179.4	-63	-89.6	0	0	0	111.6	K545 Y547 C549 R554 D558 A561 L562 H565	K545-F556 CarbonylContact C-O 3.55Å; K545-F556 WeakPolarHBondContact CA-O 3.41Å; Y547-F556 WeakPolarHBondContact CD2-O 3.38Å; Y547-F556 PolarHBondContact N-O 2.9Å; Y547-F556 PolarHBondContact O-N 3.16Å; C549-F556 HydrophobicContact CB-CE2 4.32Å; R554-F556 HydrophobicContact CB-CE2 4.02Å; R554-F556 HydrophobicContact CB-CZ 4.33Å; R554-F556 HydrophobicContact CG-CE2 3.92Å; R554-F556 HydrophobicContact CG-CZ 3.85Å; R554-F556 VanDerWaalsContact O-CD2 3.27Å; R554-F556 WeakPolarHBondContact O-CD2 3.45Å; R554-F556 WeakPolarHBondContact O-CE2 3.24Å; F556-D558 VanDerWaalsContact C-N 3.34Å; F556-A561 HydrophobicContact CB-CB 4.42Å; F556-A561 HydrophobicContact CD1-CB 4.07Å; F556-L562 HydrophobicContact CB-CB 4.32Å; F556-L562 HydrophobicContact CD2-CB 4.15Å; F556-L562 HydrophobicContact CD2-CD1 3.89Å; F556-L562 HydrophobicContact CE2-CD1 4.18Å; F556-L562 HydrophobicContact CG-CB 4.38Å; F556-H565 HydrophobicContact CE1-CB 4.08Å; F556-H565 HydrophobicContact CE2-CB 3.9Å; F556-H565 AromaticContact CE2-CD2 3.45Å; F556-H565 VanDerWaalsContact CE2-CD2 3.45Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.43Å; F556-H565 AromaticContact CE2-CG 3.76Å; F556-H565 HydrophobicContact CZ-CB 3.48Å; F556-H565 VanDerWaalsContact CZ-CB 3.48Å; F556-H565 AromaticContact CZ-CD2 3.45Å; F556-H565 VanDerWaalsContact CZ-CD2 3.45Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.3Å; F556-H565 AromaticContact CZ-CG 3.32Å; F556-H565 AromaticContact CZ-ND1 3.96Å
557	S	83.1	Confident	85.1	Confident	38 Å²	38	67.8 Å²	67.8	27%	0.266	35%	0.35	S	S	.	.	S	Bend	trans	-77	-18	174.8	53.5	0	0	0	0	113.3	R539 Y547	R539-S557 PolarHBondContact NE-O 3.39Å; R539-S557 PolarHBondContact NH2-O 3.25Å; Y547-S557 WeakPolarHBondContact CE2-O 3.44Å
558	D	83.3	Confident	85.1	Confident	37 Å²	37	69.9 Å²	69.9	20%	0.198	37%	0.365	C	S	.	.			trans	-133.4	140.6	-176.3	-85.4	-20.3	0	0	0	113.5	R536 R539 F556 G560 A561 L562	R536-D558 VanDerWaalsContact CD-OD1 3.3Å; R536-D558 WeakPolarHBondContact CD-OD1 3.44Å; R536-D558 WeakPolarHBondContact CD-OD2 3.47Å; R536-D558 WeakPolarHBondContact CG-OD1 3.28Å; R539-D558 IonicContact CZ-OD1 2.69Å; R539-D558 IonicContact NH2-OD1 3.88Å; R539-D558 PolarHBondContact NH2-OD1 2.85Å; F556-D558 VanDerWaalsContact C-N 3.34Å; D558-G560 PolarHBondContact O-N 3.15Å; D558-A561 HydrophobicContact CB-CB 4.09Å; D558-A561 WeakPolarHBondContact O-CB 3.42Å; D558-A561 PolarHBondContact O-N 2.83Å; D558-L562 PolarHBondContact O-N 2.99Å
559	P	82.1	Confident	84.8	Confident	61 Å²	61	70.2 Å²	70.2	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-69.7	-34.3	-177.9	28.7	-32.9	0	0	0	112	Y547 A561 L562 Q563	Y547-P559 HydrophobicContact CD1-CB 4Å; Y547-P559 HydrophobicContact CE1-CB 3.93Å; Y547-P559 HydrophobicContact CE1-CG 4.29Å; Y547-P559 HydrophobicContact CE2-CG 4.41Å; Y547-P559 HydrophobicContact CG-CB 4.33Å; P559-A561 PolarHBondContact O-N 3.28Å; P559-L562 PolarHBondContact O-N 3.46Å; P559-Q563 PolarHBondContact O-N 2.89Å
560	G	84	Confident	84.4	Confident	40 Å²	40	73.8 Å²	73.8	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-77.5	2.6	172	0	0	0	0	0	114.6	D558 R564	D558-G560 PolarHBondContact O-N 3.15Å; G560-R564 PolarHBondContact O-NE 3.25Å; G560-R564 PolarHBondContact O-NH2 3.01Å; G560-R564 VanDerWaalsContact O-NH2 3.1Å
561	A	84.3	Confident	84.2	Confident	32 Å²	32	72 Å²	72	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-96.1	-43.1	161.8	0	0	0	0	0	110	F556 D558 P559 R564 H565	F556-A561 HydrophobicContact CB-CB 4.42Å; F556-A561 HydrophobicContact CD1-CB 4.07Å; D558-A561 HydrophobicContact CB-CB 4.09Å; D558-A561 WeakPolarHBondContact O-CB 3.42Å; D558-A561 PolarHBondContact O-N 2.83Å; P559-A561 PolarHBondContact O-N 3.28Å; A561-R564 WeakPolarHBondContact O-CB 3.22Å; A561-R564 PolarHBondContact O-N 2.87Å; A561-H565 PolarHBondContact O-N 3.11Å
562	L	87.5	Confident	84	Confident	19 Å²	19	70.8 Å²	70.8	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-55.9	-56.7	172.8	173.4	59.1	0	0	0	112.1	C549 F556 D558 P559 R564 H565 E566	C549-L562 HydrophobicContact CB-CD1 3.45Å; C549-L562 VanDerWaalsContact CB-CD1 3.45Å; F556-L562 HydrophobicContact CB-CB 4.32Å; F556-L562 HydrophobicContact CD2-CB 4.15Å; F556-L562 HydrophobicContact CD2-CD1 3.89Å; F556-L562 HydrophobicContact CE2-CD1 4.18Å; F556-L562 HydrophobicContact CG-CB 4.38Å; D558-L562 PolarHBondContact O-N 2.99Å; P559-L562 PolarHBondContact O-N 3.46Å; L562-R564 PolarHBondContact O-N 3.19Å; L562-H565 CarbonylContact O-C 3.27Å; L562-H565 WeakPolarHBondContact O-CA 3.42Å; L562-H565 WeakPolarHBondContact O-CB 3.26Å; L562-H565 PolarHBondContact O-N 2.83Å; L562-E566 HydrophobicContact CD1-CG 3.88Å; L562-E566 WeakPolarHBondContact CD1-OE1 3.49Å; L562-E566 HydrophobicContact CG-CG 4.26Å; L562-E566 WeakPolarHBondContact CG-OE1 3.35Å; L562-E566 WeakPolarHBondContact O-CG 3.31Å; L562-E566 PolarHBondContact O-N 3.27Å
563	Q	85.2	Confident	83.9	Confident	135 Å²	135	72.4 Å²	72.4	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-56.4	-27	179.3	-75.6	-168.2	-41.6	0	0	114	P559 E566 R567	P559-Q563 PolarHBondContact O-N 2.89Å; Q563-E566 VanDerWaalsContact CA-OE2 3.29Å; Q563-E566 WeakPolarHBondContact CA-OE2 3.31Å; Q563-R567 PolarHBondContact O-N 2.67Å
564	R	84.8	Confident	83.7	Confident	122 Å²	122	69.4 Å²	69.4	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-82.4	-25.2	178.2	-156.3	-169.9	-41.9	-174.9	7.6	112.7	G560 A561 L562 Q586	G560-R564 PolarHBondContact O-NE 3.25Å; G560-R564 PolarHBondContact O-NH2 3.01Å; G560-R564 VanDerWaalsContact O-NH2 3.1Å; A561-R564 WeakPolarHBondContact O-CB 3.22Å; A561-R564 PolarHBondContact O-N 2.87Å; L562-R564 PolarHBondContact O-N 3.19Å; R564-Q586 VanDerWaalsContact CD-CD 3.44Å; R564-Q586 HydrophobicContact CG-CG 4.06Å
565	H	86.1	Confident	83.7	Confident	28 Å²	28	62.8 Å²	62.8	13%	0.13	34%	0.344	C	S	.	.	H	α-helix	trans	-79.5	-35.5	169.9	-179.7	61.3	0	0	0	111.6	C552 F556 A561 L562 R567 I568 H569	C552-H565 PolarHBondContact SG-NE2 3.41Å; F556-H565 HydrophobicContact CE1-CB 4.08Å; F556-H565 HydrophobicContact CE2-CB 3.9Å; F556-H565 AromaticContact CE2-CD2 3.45Å; F556-H565 VanDerWaalsContact CE2-CD2 3.45Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.43Å; F556-H565 AromaticContact CE2-CG 3.76Å; F556-H565 HydrophobicContact CZ-CB 3.48Å; F556-H565 VanDerWaalsContact CZ-CB 3.48Å; F556-H565 AromaticContact CZ-CD2 3.45Å; F556-H565 VanDerWaalsContact CZ-CD2 3.45Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.3Å; F556-H565 AromaticContact CZ-CG 3.32Å; F556-H565 AromaticContact CZ-ND1 3.96Å; A561-H565 PolarHBondContact O-N 3.11Å; L562-H565 CarbonylContact O-C 3.27Å; L562-H565 WeakPolarHBondContact O-CA 3.42Å; L562-H565 WeakPolarHBondContact O-CB 3.26Å; L562-H565 PolarHBondContact O-N 2.83Å; H565-R567 VanDerWaalsContact C-N 3.25Å; H565-R567 PolarHBondContact O-N 3.12Å; H565-I568 WeakPolarHBondContact O-CB 3.34Å; H565-I568 WeakPolarHBondContact O-CG1 3.39Å; H565-I568 PolarHBondContact O-N 3.21Å; H565-H569 AromaticContact CD2-NE2 3.69Å; H565-H569 AromaticContact CE1-NE2 3.69Å; H565-H569 AromaticContact NE2-CE1 3.96Å; H565-H569 AromaticContact NE2-NE2 3.11Å; H565-H569 PolarHBondContact NE2-NE2 2.84Å; H565-H569 VanDerWaalsContact NE2-NE2 3.11Å
566	E	85.2	Confident	83.6	Confident	54 Å²	54	65.8 Å²	65.8	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-36.7	175.7	-72.3	167.2	160.8	0	0	112	L562 Q563 I568 H569 T570	L562-E566 HydrophobicContact CD1-CG 3.88Å; L562-E566 WeakPolarHBondContact CD1-OE1 3.49Å; L562-E566 HydrophobicContact CG-CG 4.26Å; L562-E566 WeakPolarHBondContact CG-OE1 3.35Å; L562-E566 WeakPolarHBondContact O-CG 3.31Å; L562-E566 PolarHBondContact O-N 3.27Å; Q563-E566 VanDerWaalsContact CA-OE2 3.29Å; Q563-E566 WeakPolarHBondContact CA-OE2 3.31Å; E566-I568 PolarHBondContact O-N 2.77Å; E566-I568 VanDerWaalsContact O-N 3.07Å; E566-H569 WeakPolarHBondContact O-CA 3.44Å; E566-H569 PolarHBondContact O-N 2.9Å; E566-T570 PolarHBondContact O-N 2.66Å
567	R	86.2	Confident	83.8	Confident	83 Å²	83	64.2 Å²	64.2	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-58.8	-15.3	169.9	-69.5	-178.5	179.1	-176.9	-2.3	115.8	Q563 H565 G571 E572 T585	Q563-R567 PolarHBondContact O-N 2.67Å; H565-R567 VanDerWaalsContact C-N 3.25Å; H565-R567 PolarHBondContact O-N 3.12Å; R567-G571 CarbonylContact O-C 3.5Å; R567-G571 PolarHBondContact O-N 3.44Å; R567-E572 HydrophobicContact CB-CB 4.39Å; R567-E572 HydrophobicContact CG-CB 4.05Å; R567-E572 PolarHBondContact O-N 3.31Å; R567-T585 HydrophobicContact CB-CG2 4.49Å; R567-T585 PolarHBondContact NH1-O 3.45Å; R567-T585 VanDerWaalsContact NH1-O 3.1Å
568	I	83.9	Confident	83.8	Confident	116 Å²	116	70.5 Å²	70.5	60%	0.595	38%	0.377	S	S	*	.	H	α-helix	trans	-78.9	-32.4	173	-53.1	-178	0	0	0	110	H565 E566	H565-I568 WeakPolarHBondContact O-CB 3.34Å; H565-I568 WeakPolarHBondContact O-CG1 3.39Å; H565-I568 PolarHBondContact O-N 3.21Å; E566-I568 PolarHBondContact O-N 2.77Å; E566-I568 VanDerWaalsContact O-N 3.07Å
569	H	81.6	Confident	83.8	Confident	77 Å²	77	73.4 Å²	73.4	36%	0.356	40%	0.396	S	S	.	.	H	α-helix	trans	-83.4	-38.7	176.7	-56.3	-66.1	0	0	0	112.3	H551 C552 H565 E566 G571	H551-H569 HydrophobicContact CB-CB 4.17Å; C552-H569 PolarHBondContact SG-NE2 3.05Å; H565-H569 AromaticContact CD2-NE2 3.69Å; H565-H569 AromaticContact CE1-NE2 3.69Å; H565-H569 AromaticContact NE2-CE1 3.96Å; H565-H569 AromaticContact NE2-NE2 3.11Å; H565-H569 PolarHBondContact NE2-NE2 2.84Å; H565-H569 VanDerWaalsContact NE2-NE2 3.11Å; E566-H569 WeakPolarHBondContact O-CA 3.44Å; E566-H569 PolarHBondContact O-N 2.9Å; H569-G571 VanDerWaalsContact C-N 3.31Å
570	T	80.8	Confident	83.8	Confident	75 Å²	75	72.8 Å²	72.8	46%	0.46	39%	0.392	S	S	.	.	S	Bend	trans	-81.2	-9.3	176.7	67.3	0	0	0	0	113.7	E566 E572	E566-T570 PolarHBondContact O-N 2.66Å; T570-E572 PolarHBondContact O-N 3.29Å; T570-E572 VanDerWaalsContact O-N 3.11Å; T570-E572 WeakPolarHBondContact OG1-CG 3.46Å; T570-E572 PolarHBondContact OG1-OE1 2.83Å
571	G	80.3	Confident	83.8	Confident	40 Å²	40	73.5 Å²	73.5	41%	0.412	40%	0.399	S	S	.	.			trans	69.6	-1.7	-176.7	0	0	0	0	0	115.2	R567 H569 K573	R567-G571 CarbonylContact O-C 3.5Å; R567-G571 PolarHBondContact O-N 3.44Å; H569-G571 VanDerWaalsContact C-N 3.31Å; G571-K573 WeakPolarHBondContact O-CG 3.26Å; G571-K573 PolarHBondContact O-N 2.9Å
572	E	79.5	Confident	83.7	Confident	98 Å²	98	77.8 Å²	77.8	46%	0.458	41%	0.412	S	S	.	.			trans	-55.9	120.1	-176.5	-82.8	170.9	-128.3	0	0	113.1	R567 T570 P574 T585	R567-E572 HydrophobicContact CB-CB 4.39Å; R567-E572 HydrophobicContact CG-CB 4.05Å; R567-E572 PolarHBondContact O-N 3.31Å; T570-E572 PolarHBondContact O-N 3.29Å; T570-E572 VanDerWaalsContact O-N 3.11Å; T570-E572 WeakPolarHBondContact OG1-CG 3.46Å; T570-E572 PolarHBondContact OG1-OE1 2.83Å; E572-P574 WeakPolarHBondContact O-CD 3.33Å; E572-T585 WeakPolarHBondContact O-CG2 3.47Å
573	K	82.8	Confident	83.6	Confident	89 Å²	89	78.7 Å²	78.7	39%	0.387	42%	0.422	S	S	.	.			trans	-122.9	73	178.8	-70.3	154.7	-179.1	173.7	0	111.4	G571 C575 A583 F584 T585	G571-K573 WeakPolarHBondContact O-CG 3.26Å; G571-K573 PolarHBondContact O-N 2.9Å; K573-C575 PolarHBondContact O-N 3.34Å; K573-A583 HydrophobicContact CB-CB 3.54Å; K573-A583 HydrophobicContact CD-CB 4.11Å; K573-A583 WeakPolarHBondContact CD-O 3.41Å; K573-A583 HydrophobicContact CG-CB 4.38Å; K573-F584 CarbonylContact C-O 3.5Å; K573-F584 VanDerWaalsContact CA-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.38Å; K573-T585 HydrophobicContact CG-CG2 3.96Å
574	P	81.6	Confident	83.6	Confident	78 Å²	78	74.6 Å²	74.6	51%	0.506	40%	0.403	S	S	.	.			trans	-71.8	0.5	-171	-19.1	34.6	0	0	0	115.4	E572	E572-P574 WeakPolarHBondContact O-CD 3.33Å
575	C	83.5	Confident	83.5	Confident	24 Å²	24	70.6 Å²	70.6	16%	0.162	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	87.3	-176.9	-57	0	0	0	0	109.5	K573 F584 A587 L590	K573-C575 PolarHBondContact O-N 3.34Å; C575-F584 HydrophobicContact CB-CB 4.34Å; C575-F584 WeakPolarHBondContact CB-O 3.37Å; C575-F584 PolarHBondContact N-O 2.98Å; C575-F584 PolarHBondContact O-N 2.77Å; C575-A587 PolarHBondContact SG-N 2.64Å; C575-A587 VanDerWaalsContact SG-N 3.42Å; C575-L590 HydrophobicContact CB-CB 3.98Å; C575-L590 HydrophobicContact CB-CD2 3.78Å
576	I	85.7	Confident	83.4	Confident	101 Å²	101	72 Å²	72	52%	0.518	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	139	-178.1	-56.7	176.3	0	0	0	110.5	A583 L590	I576-A583 HydrophobicContact CG1-CB 4.01Å; I576-L590 WeakPolarHBondContact O-CD2 3.4Å
577	C	87.8	Confident	83.3	Confident	1 Å²	1	72 Å²	72	1%	0.007	41%	0.408	C	S	.	.			trans	-86.7	112.8	172.2	-169.2	0	0	0	0	110.8	V579 C580 G581 K582 F584 L590	C577-V579 PolarHBondContact O-N 3.18Å; C577-V579 VanDerWaalsContact O-N 3.16Å; C577-C580 PolarHBondContact O-N 3.44Å; C577-G581 WeakPolarHBondContact O-CA 3.47Å; C577-G581 PolarHBondContact O-N 3.34Å; C577-K582 VanDerWaalsContact CB-O 3.3Å; C577-K582 WeakPolarHBondContact CB-O 3.42Å; C577-K582 PolarHBondContact N-O 2.85Å; C577-F584 HydrophobicContact CB-CE2 4.38Å; C577-L590 HydrophobicContact CB-CD1 3.55Å
578	L	82.9	Confident	83.1	Confident	171 Å²	171	71.6 Å²	71.6	90%	0.895	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.1	-179.1	-57.5	179.4	0	0	0	114
579	V	83.3	Confident	83.2	Confident	98 Å²	98	68.2 Å²	68.2	59%	0.594	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.6	-178.1	-174.4	0	0	0	0	112.6	C577 H597	C577-V579 PolarHBondContact O-N 3.18Å; C577-V579 VanDerWaalsContact O-N 3.16Å; V579-H597 HydrophobicContact CG1-CB 4.01Å
580	C	83.9	Confident	83.5	Confident	47 Å²	47	66 Å²	66	32%	0.318	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	17	-173.4	69.7	0	0	0	0	115.3	C577 K582 H593 H597	C577-C580 PolarHBondContact O-N 3.44Å; C580-K582 PolarHBondContact O-N 3.28Å; C580-H593 PolarHBondContact SG-NE2 2.92Å; C580-H597 PolarHBondContact SG-NE2 3.09Å
581	G	82.1	Confident	83.6	Confident	55 Å²	55	67 Å²	67	57%	0.567	40%	0.396	S	S	*	.			trans	66.5	-13.8	-178.5	0	0	0	0	0	116.6	C577 A583	C577-G581 WeakPolarHBondContact O-CA 3.47Å; C577-G581 PolarHBondContact O-N 3.34Å; G581-A583 PolarHBondContact O-N 2.94Å
582	K	83.2	Confident	83.8	Confident	123 Å²	123	66 Å²	66	54%	0.535	38%	0.384	S	S	.	.			trans	-64.4	122.1	-170.2	-70.8	172.8	-172.8	170.2	0	111.9	C577 C580 F584	C577-K582 VanDerWaalsContact CB-O 3.3Å; C577-K582 WeakPolarHBondContact CB-O 3.42Å; C577-K582 PolarHBondContact N-O 2.85Å; C580-K582 PolarHBondContact O-N 3.28Å; K582-F584 HydrophobicContact CB-CE2 3.92Å; K582-F584 HydrophobicContact CB-CZ 4.21Å; K582-F584 WeakPolarHBondContact O-CD2 3.45Å; K582-F584 WeakPolarHBondContact O-CE2 3.44Å
583	A	86	Confident	84	Confident	38 Å²	38	62.1 Å²	62.1	31%	0.314	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136	-174.9	0	0	0	0	0	112.7	K573 I576 G581	K573-A583 HydrophobicContact CB-CB 3.54Å; K573-A583 HydrophobicContact CD-CB 4.11Å; K573-A583 WeakPolarHBondContact CD-O 3.41Å; K573-A583 HydrophobicContact CG-CB 4.38Å; I576-A583 HydrophobicContact CG1-CB 4.01Å; G581-A583 PolarHBondContact O-N 2.94Å
584	F	84.4	Confident	84.1	Confident	49 Å²	49	60.2 Å²	60.2	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.1	-176.3	-61.1	-92	0	0	0	112.3	K573 C575 C577 K582 Q586 L590 H593	K573-F584 CarbonylContact C-O 3.5Å; K573-F584 VanDerWaalsContact CA-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.38Å; C575-F584 HydrophobicContact CB-CB 4.34Å; C575-F584 WeakPolarHBondContact CB-O 3.37Å; C575-F584 PolarHBondContact N-O 2.98Å; C575-F584 PolarHBondContact O-N 2.77Å; C577-F584 HydrophobicContact CB-CE2 4.38Å; K582-F584 HydrophobicContact CB-CE2 3.92Å; K582-F584 HydrophobicContact CB-CZ 4.21Å; K582-F584 WeakPolarHBondContact O-CD2 3.45Å; K582-F584 WeakPolarHBondContact O-CE2 3.44Å; F584-Q586 VanDerWaalsContact C-N 3.27Å; F584-Q586 PolarHBondContact O-N 3.27Å; F584-L590 HydrophobicContact CB-CB 4.35Å; F584-L590 HydrophobicContact CD2-CB 4.12Å; F584-L590 HydrophobicContact CD2-CD1 3.98Å; F584-L590 HydrophobicContact CE2-CD1 4.27Å; F584-L590 HydrophobicContact CG-CB 4.4Å; F584-H593 HydrophobicContact CE1-CB 4.18Å; F584-H593 HydrophobicContact CE2-CB 4.02Å; F584-H593 AromaticContact CE2-CD2 3.37Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.14Å; F584-H593 AromaticContact CE2-CG 3.84Å; F584-H593 HydrophobicContact CZ-CB 3.61Å; F584-H593 AromaticContact CZ-CD2 3.38Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.24Å; F584-H593 AromaticContact CZ-CG 3.42Å; F584-H593 VanDerWaalsContact CZ-CG 3.42Å
585	T	83.4	Confident	84.3	Confident	37 Å²	37	59.6 Å²	59.6	23%	0.227	35%	0.349	C	S	.	.	S	Bend	trans	-75.8	-14.4	177.2	63.1	0	0	0	0	113.5	R567 E572 K573	R567-T585 HydrophobicContact CB-CG2 4.49Å; R567-T585 PolarHBondContact NH1-O 3.45Å; R567-T585 VanDerWaalsContact NH1-O 3.1Å; E572-T585 WeakPolarHBondContact O-CG2 3.47Å; K573-T585 HydrophobicContact CG-CG2 3.96Å
586	Q	84.1	Confident	84.2	Confident	57 Å²	57	63.4 Å²	63.4	27%	0.266	37%	0.365	S	S	.	.	S	Bend	trans	-138.9	135.1	-173.9	-68.6	179.9	90.9	0	0	112	R564 F584 S588 S589 L590	R564-Q586 VanDerWaalsContact CD-CD 3.44Å; R564-Q586 HydrophobicContact CG-CG 4.06Å; F584-Q586 VanDerWaalsContact C-N 3.27Å; F584-Q586 PolarHBondContact O-N 3.27Å; Q586-S588 VanDerWaalsContact C-N 3.3Å; Q586-S588 PolarHBondContact O-N 3.14Å; Q586-S589 WeakPolarHBondContact O-CB 3.1Å; Q586-S589 PolarHBondContact O-N 2.64Å; Q586-S589 VanDerWaalsContact O-N 3.15Å; Q586-L590 PolarHBondContact O-N 3.36Å; Q586-L590 VanDerWaalsContact O-N 3.09Å
587	A	82.5	Confident	84	Confident	55 Å²	55	62.3 Å²	62.3	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-32.6	176.2	0	0	0	0	0	113.2	C575 S589 L590 I591	C575-A587 PolarHBondContact SG-N 2.64Å; C575-A587 VanDerWaalsContact SG-N 3.42Å; A587-S589 VanDerWaalsContact C-N 3.35Å; A587-L590 PolarHBondContact O-N 2.92Å; A587-I591 WeakPolarHBondContact O-CD1 3.46Å; A587-I591 VanDerWaalsContact O-CG1 3.28Å; A587-I591 WeakPolarHBondContact O-CG1 3.41Å; A587-I591 PolarHBondContact O-N 2.86Å
588	S	82.8	Confident	83.6	Confident	75 Å²	75	66 Å²	66	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-37.9	174.1	48.2	0	0	0	0	112.7	Q586 A592	Q586-S588 VanDerWaalsContact C-N 3.3Å; Q586-S588 PolarHBondContact O-N 3.14Å; S588-A592 VanDerWaalsContact O-CB 3.31Å; S588-A592 WeakPolarHBondContact O-CB 3.5Å; S588-A592 PolarHBondContact O-N 3.44Å
589	S	85.3	Confident	83.5	Confident	44 Å²	44	59.9 Å²	59.9	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-39.8	173.8	-58.3	0	0	0	0	111.6	Q586 A587 A592 H593	Q586-S589 WeakPolarHBondContact O-CB 3.1Å; Q586-S589 PolarHBondContact O-N 2.64Å; Q586-S589 VanDerWaalsContact O-N 3.15Å; A587-S589 VanDerWaalsContact C-N 3.35Å; S589-A592 PolarHBondContact O-N 3.32Å; S589-H593 WeakPolarHBondContact O-CB 3.39Å; S589-H593 PolarHBondContact O-N 3.3Å
590	L	86.9	Confident	83.3	Confident	30 Å²	30	59.8 Å²	59.8	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-50.6	172.5	171.5	61.7	0	0	0	111.5	C575 I576 C577 F584 Q586 A587 A592 H593 V594	C575-L590 HydrophobicContact CB-CB 3.98Å; C575-L590 HydrophobicContact CB-CD2 3.78Å; I576-L590 WeakPolarHBondContact O-CD2 3.4Å; C577-L590 HydrophobicContact CB-CD1 3.55Å; F584-L590 HydrophobicContact CB-CB 4.35Å; F584-L590 HydrophobicContact CD2-CB 4.12Å; F584-L590 HydrophobicContact CD2-CD1 3.98Å; F584-L590 HydrophobicContact CE2-CD1 4.27Å; F584-L590 HydrophobicContact CG-CB 4.4Å; Q586-L590 PolarHBondContact O-N 3.36Å; Q586-L590 VanDerWaalsContact O-N 3.09Å; A587-L590 PolarHBondContact O-N 2.92Å; L590-A592 VanDerWaalsContact C-N 3.33Å; L590-A592 PolarHBondContact O-N 3.04Å; L590-H593 CarbonylContact O-C 3.56Å; L590-H593 WeakPolarHBondContact O-CA 3.49Å; L590-H593 WeakPolarHBondContact O-CB 3.22Å; L590-H593 PolarHBondContact O-N 3.31Å; L590-V594 HydrophobicContact CD1-CG2 3.79Å; L590-V594 HydrophobicContact CG-CG2 4.23Å; L590-V594 WeakPolarHBondContact O-CG2 3.26Å; L590-V594 PolarHBondContact O-N 3.44Å
591	I	84.6	Confident	83.2	Confident	97 Å²	97	62.2 Å²	62.2	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-44.1	179.2	-67.5	160.8	0	0	0	110.9	A587 H593 V594 R595	A587-I591 WeakPolarHBondContact O-CD1 3.46Å; A587-I591 VanDerWaalsContact O-CG1 3.28Å; A587-I591 WeakPolarHBondContact O-CG1 3.41Å; A587-I591 PolarHBondContact O-N 2.86Å; I591-H593 PolarHBondContact O-N 3.22Å; I591-V594 PolarHBondContact O-N 3.21Å; I591-R595 WeakPolarHBondContact O-CG 3.34Å; I591-R595 PolarHBondContact O-N 2.99Å
592	A	83.1	Confident	83.2	Confident	19 Å²	19	62.5 Å²	62.5	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-71.3	-7.2	176.7	0	0	0	0	0	114.3	S588 S589 L590 Q596 Q614	S588-A592 VanDerWaalsContact O-CB 3.31Å; S588-A592 WeakPolarHBondContact O-CB 3.5Å; S588-A592 PolarHBondContact O-N 3.44Å; S589-A592 PolarHBondContact O-N 3.32Å; L590-A592 VanDerWaalsContact C-N 3.33Å; L590-A592 PolarHBondContact O-N 3.04Å; A592-Q596 PolarHBondContact O-NE2 3.03Å; A592-Q614 HydrophobicContact CB-CG 4.22Å
593	H	85.3	Confident	83.3	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-97.1	-41.7	168.4	175.2	55.2	0	0	0	112.4	C580 F584 S589 L590 I591 R595 Q596 H597	C580-H593 PolarHBondContact SG-NE2 2.92Å; F584-H593 HydrophobicContact CE1-CB 4.18Å; F584-H593 HydrophobicContact CE2-CB 4.02Å; F584-H593 AromaticContact CE2-CD2 3.37Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.14Å; F584-H593 AromaticContact CE2-CG 3.84Å; F584-H593 HydrophobicContact CZ-CB 3.61Å; F584-H593 AromaticContact CZ-CD2 3.38Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.24Å; F584-H593 AromaticContact CZ-CG 3.42Å; F584-H593 VanDerWaalsContact CZ-CG 3.42Å; S589-H593 WeakPolarHBondContact O-CB 3.39Å; S589-H593 PolarHBondContact O-N 3.3Å; L590-H593 CarbonylContact O-C 3.56Å; L590-H593 WeakPolarHBondContact O-CA 3.49Å; L590-H593 WeakPolarHBondContact O-CB 3.22Å; L590-H593 PolarHBondContact O-N 3.31Å; I591-H593 PolarHBondContact O-N 3.22Å; H593-R595 PolarHBondContact O-N 2.88Å; H593-Q596 PolarHBondContact ND1-OE1 3.16Å; H593-Q596 VanDerWaalsContact ND1-OE1 3.15Å; H593-Q596 WeakPolarHBondContact O-CA 3.45Å; H593-Q596 WeakPolarHBondContact O-CB 3.21Å; H593-Q596 WeakPolarHBondContact O-CG 3.39Å; H593-Q596 PolarHBondContact O-N 3.06Å; H593-H597 AromaticContact CD2-NE2 3.86Å; H593-H597 AromaticContact CE1-CE1 3.77Å; H593-H597 AromaticContact CE1-NE2 3.49Å; H593-H597 PolarHBondContact CE1-NE2 3Å; H593-H597 AromaticContact NE2-CE1 3.76Å; H593-H597 AromaticContact NE2-NE2 3.12Å; H593-H597 PolarHBondContact NE2-NE2 3.14Å; H593-H597 VanDerWaalsContact NE2-NE2 3.12Å
594	V	84.7	Confident	83.2	Confident	49 Å²	49	61.6 Å²	61.6	30%	0.297	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-38.5	176	171	0	0	0	0	111.3	L590 I591 Q596 H597 T598	L590-V594 HydrophobicContact CD1-CG2 3.79Å; L590-V594 HydrophobicContact CG-CG2 4.23Å; L590-V594 WeakPolarHBondContact O-CG2 3.26Å; L590-V594 PolarHBondContact O-N 3.44Å; I591-V594 PolarHBondContact O-N 3.21Å; V594-Q596 PolarHBondContact O-N 2.92Å; V594-Q596 VanDerWaalsContact O-N 3.1Å; V594-H597 WeakPolarHBondContact O-CB 3.49Å; V594-H597 PolarHBondContact O-N 3.32Å; V594-T598 HydrophobicContact CG1-CG2 4.37Å; V594-T598 PolarHBondContact O-N 3.31Å; V594-T598 VanDerWaalsContact O-N 3.08Å
595	R	85.3	Confident	83.5	Confident	64 Å²	64	59.3 Å²	59.3	24%	0.242	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-13.2	172.2	-72	-175.8	168.7	161.6	2.3	115.7	I591 H593 G599 E600 V613	I591-R595 WeakPolarHBondContact O-CG 3.34Å; I591-R595 PolarHBondContact O-N 2.99Å; H593-R595 PolarHBondContact O-N 2.88Å; R595-G599 PolarHBondContact O-N 2.74Å; R595-E600 HydrophobicContact CB-CB 4.1Å; R595-E600 HydrophobicContact CG-CB 3.92Å; R595-E600 IonicContact NE-OE2 3.17Å; R595-E600 PolarHBondContact NE-OE2 2.68Å; R595-E600 PolarHBondContact O-N 3.04Å; R595-V613 HydrophobicContact CB-CG1 3.6Å
596	Q	81.4	Confident	83.5	Confident	105 Å²	105	64.9 Å²	64.9	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-81.3	-29.2	173.2	-55.8	166	15.7	0	0	110.7	A592 H593 V594 V613	A592-Q596 PolarHBondContact O-NE2 3.03Å; H593-Q596 PolarHBondContact ND1-OE1 3.16Å; H593-Q596 VanDerWaalsContact ND1-OE1 3.15Å; H593-Q596 WeakPolarHBondContact O-CA 3.45Å; H593-Q596 WeakPolarHBondContact O-CB 3.21Å; H593-Q596 WeakPolarHBondContact O-CG 3.39Å; H593-Q596 PolarHBondContact O-N 3.06Å; V594-Q596 PolarHBondContact O-N 2.92Å; V594-Q596 VanDerWaalsContact O-N 3.1Å; Q596-V613 HydrophobicContact CG-CG1 4.27Å
597	H	80.9	Confident	83.5	Confident	77 Å²	77	69.6 Å²	69.6	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-79.5	-43.5	172.8	-56	-55.4	0	0	0	111.9	V579 C580 H593 V594 G599	V579-H597 HydrophobicContact CG1-CB 4.01Å; C580-H597 PolarHBondContact SG-NE2 3.09Å; H593-H597 AromaticContact CD2-NE2 3.86Å; H593-H597 AromaticContact CE1-CE1 3.77Å; H593-H597 AromaticContact CE1-NE2 3.49Å; H593-H597 PolarHBondContact CE1-NE2 3Å; H593-H597 AromaticContact NE2-CE1 3.76Å; H593-H597 AromaticContact NE2-NE2 3.12Å; H593-H597 PolarHBondContact NE2-NE2 3.14Å; H593-H597 VanDerWaalsContact NE2-NE2 3.12Å; V594-H597 WeakPolarHBondContact O-CB 3.49Å; V594-H597 PolarHBondContact O-N 3.32Å; H597-G599 PolarHBondContact O-N 2.61Å
598	T	79.9	Confident	83.6	Confident	79 Å²	79	69.3 Å²	69.3	49%	0.485	37%	0.369	S	S	.	.	S	Bend	trans	-77.5	-0.1	179.7	66	0	0	0	0	114	V594 E600	V594-T598 HydrophobicContact CG1-CG2 4.37Å; V594-T598 PolarHBondContact O-N 3.31Å; V594-T598 VanDerWaalsContact O-N 3.08Å; T598-E600 PolarHBondContact O-N 3.15Å; T598-E600 WeakPolarHBondContact OG1-CG 3.33Å
599	G	80.2	Confident	83.6	Confident	43 Å²	43	68 Å²	68	44%	0.443	37%	0.367	S	S	.	.			trans	66.4	-3.1	-176.1	0	0	0	0	0	115.4	R595 H597 K601	R595-G599 PolarHBondContact O-N 2.74Å; H597-G599 PolarHBondContact O-N 2.61Å; G599-K601 WeakPolarHBondContact O-CG 3.38Å; G599-K601 PolarHBondContact O-N 3.19Å; G599-K601 VanDerWaalsContact O-N 3.12Å
600	E	78.9	Confident	83.6	Confident	96 Å²	96	72 Å²	72	45%	0.449	38%	0.379	S	S	.	.			trans	-55.1	113.5	-177	-88	-178.9	-141.1	0	0	112.4	R595 T598 P602	R595-E600 HydrophobicContact CB-CB 4.1Å; R595-E600 HydrophobicContact CG-CB 3.92Å; R595-E600 IonicContact NE-OE2 3.17Å; R595-E600 PolarHBondContact NE-OE2 2.68Å; R595-E600 PolarHBondContact O-N 3.04Å; T598-E600 PolarHBondContact O-N 3.15Å; T598-E600 WeakPolarHBondContact OG1-CG 3.33Å; E600-P602 WeakPolarHBondContact O-CD 3.45Å
601	K	83	Confident	83.5	Confident	97 Å²	97	77.9 Å²	77.9	42%	0.422	40%	0.399	S	S	.	.			trans	-120.7	84.6	174	-67.3	155.4	-174.2	169.9	0	109.7	G599 Y603 R611 F612 V613	G599-K601 WeakPolarHBondContact O-CG 3.38Å; G599-K601 PolarHBondContact O-N 3.19Å; G599-K601 VanDerWaalsContact O-N 3.12Å; K601-Y603 VanDerWaalsContact C-N 3.31Å; K601-Y603 PolarHBondContact O-N 2.85Å; K601-R611 HydrophobicContact CB-CB 3.52Å; K601-R611 HydrophobicContact CD-CB 4.21Å; K601-R611 HydrophobicContact CG-CB 4.39Å; K601-R611 PolarHBondContact O-NE 3.32Å; K601-R611 VanDerWaalsContact O-NE 3.08Å; K601-R611 PolarHBondContact O-NH2 3.15Å; K601-F612 CarbonylContact C-O 3.31Å; K601-F612 VanDerWaalsContact CA-O 3.26Å; K601-F612 WeakPolarHBondContact CA-O 3.49Å; K601-V613 HydrophobicContact CG-CG2 3.85Å
602	P	81.8	Confident	83.5	Confident	62 Å²	62	75.2 Å²	75.2	40%	0.403	38%	0.384	S	S	.	.			trans	-76	-17	-176.2	-16	32.2	0	0	0	113.8	E600	E600-P602 WeakPolarHBondContact O-CD 3.45Å
603	Y	84.2	Confident	83.5	Confident	82 Å²	82	75.1 Å²	75.1	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	99.2	-173.7	-58	-72.8	0	0	0	109.8	K601 R611 F612 V613 Q614	K601-Y603 VanDerWaalsContact C-N 3.31Å; K601-Y603 PolarHBondContact O-N 2.85Å; Y603-R611 CarbonylContact O-C 3.56Å; Y603-R611 WeakPolarHBondContact O-CA 3.41Å; Y603-F612 PolarHBondContact N-O 2.96Å; Y603-F612 PolarHBondContact O-N 3.02Å; Y603-V613 WeakPolarHBondContact CE2-O 3.28Å; Y603-Q614 VanDerWaalsContact CD2-C 3.42Å
604	V	85.6	Confident	83.4	Confident	59 Å²	59	77.3 Å²	77.3	36%	0.358	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	147.3	178.1	-169	0	0	0	0	109.9	R611 L618	V604-R611 HydrophobicContact CG1-CG 4.41Å; V604-R611 HydrophobicContact CG2-CG 4.19Å; V604-L618 WeakPolarHBondContact O-CD1 3.22Å; V604-L618 VanDerWaalsContact O-CD2 3.23Å; V604-L618 WeakPolarHBondContact O-CD2 3.4Å
605	C	90.1	Very high	83.4	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.014	40%	0.401	C	S	.	.			trans	-98.8	107.1	168.5	-175.9	0	0	0	0	110.2	R607 C608 G609 K610 F612 L618 H621	C605-R607 PolarHBondContact O-N 3.22Å; C605-R607 VanDerWaalsContact O-N 3.11Å; C605-C608 PolarHBondContact O-N 3.35Å; C605-C608 VanDerWaalsContact SG-SG 3.64Å; C605-G609 PolarHBondContact O-N 2.8Å; C605-K610 WeakPolarHBondContact CB-O 3.11Å; C605-K610 PolarHBondContact N-O 2.89Å; C605-F612 HydrophobicContact CB-CE2 4.22Å; C605-L618 HydrophobicContact CB-CD1 3.49Å; C605-L618 VanDerWaalsContact CB-CD1 3.49Å; C605-H621 VanDerWaalsContact SG-CD2 3.57Å
606	D	83.7	Confident	83.3	Confident	153 Å²	153	77.9 Å²	77.9	82%	0.818	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.3	-171.3	-44	-50.5	0	0	0	112.9	C608	D606-C608 VanDerWaalsContact C-N 3.33Å; D606-C608 PolarHBondContact O-N 2.9Å
607	R	82.8	Confident	83.4	Confident	157 Å²	157	76.4 Å²	76.4	59%	0.592	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.5	177.6	-61.7	-165.3	-168.1	157	11.8	115.9	C605 D626	C605-R607 PolarHBondContact O-N 3.22Å; C605-R607 VanDerWaalsContact O-N 3.11Å; R607-D626 IonicContact CZ-OD1 3.62Å; R607-D626 IonicContact NH1-OD1 3.42Å; R607-D626 PolarHBondContact NH1-OD1 3.09Å; R607-D626 IonicContact NH2-OD1 2.73Å; R607-D626 PolarHBondContact NH2-OD1 3.36Å
608	C	84.6	Confident	83.6	Confident	49 Å²	49	73.9 Å²	73.9	33%	0.331	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	10	-173.9	70.5	0	0	0	0	115.9	C605 D606 K610 H621 H625	C605-C608 PolarHBondContact O-N 3.35Å; C605-C608 VanDerWaalsContact SG-SG 3.64Å; D606-C608 VanDerWaalsContact C-N 3.33Å; D606-C608 PolarHBondContact O-N 2.9Å; C608-K610 PolarHBondContact O-N 3.03Å; C608-H621 PolarHBondContact SG-NE2 3.15Å; C608-H625 PolarHBondContact SG-NE2 2.9Å; C608-H625 VanDerWaalsContact SG-NE2 3.38Å
609	G	82.9	Confident	83.8	Confident	48 Å²	48	72.3 Å²	72.3	50%	0.495	39%	0.385	S	S	.	.			trans	66.9	-10	-179.4	0	0	0	0	0	116.3	C605 R611	C605-G609 PolarHBondContact O-N 2.8Å; G609-R611 VanDerWaalsContact O-CG 3.31Å; G609-R611 WeakPolarHBondContact O-CG 3.44Å; G609-R611 PolarHBondContact O-N 3.23Å
610	K	85.5	Confident	84	Confident	128 Å²	128	72.8 Å²	72.8	56%	0.557	38%	0.377	S	S	*	.			trans	-63.6	126.7	-173.4	-68.8	179.4	-178.3	177.8	0	111.1	C605 C608 F612	C605-K610 WeakPolarHBondContact CB-O 3.11Å; C605-K610 PolarHBondContact N-O 2.89Å; C608-K610 PolarHBondContact O-N 3.03Å; K610-F612 HydrophobicContact CB-CE2 3.86Å; K610-F612 HydrophobicContact CB-CZ 4.02Å; K610-F612 WeakPolarHBondContact O-CD2 3.24Å; K610-F612 VanDerWaalsContact O-CE2 3.25Å; K610-F612 WeakPolarHBondContact O-CE2 3.37Å
611	R	85.9	Confident	84.3	Confident	152 Å²	152	69.8 Å²	69.8	57%	0.574	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.6	-173.6	-50	-176.9	57.3	170.8	-0.8	111.6	K601 Y603 V604 G609	K601-R611 HydrophobicContact CB-CB 3.52Å; K601-R611 HydrophobicContact CD-CB 4.21Å; K601-R611 HydrophobicContact CG-CB 4.39Å; K601-R611 PolarHBondContact O-NE 3.32Å; K601-R611 VanDerWaalsContact O-NE 3.08Å; K601-R611 PolarHBondContact O-NH2 3.15Å; Y603-R611 CarbonylContact O-C 3.56Å; Y603-R611 WeakPolarHBondContact O-CA 3.41Å; V604-R611 HydrophobicContact CG1-CG 4.41Å; V604-R611 HydrophobicContact CG2-CG 4.19Å; G609-R611 VanDerWaalsContact O-CG 3.31Å; G609-R611 WeakPolarHBondContact O-CG 3.44Å; G609-R611 PolarHBondContact O-N 3.23Å
612	F	83.9	Confident	84.3	Confident	41 Å²	41	67.9 Å²	67.9	18%	0.18	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.2	-174.7	-60.2	-86.7	0	0	0	112.6	K601 Y603 C605 K610 Q617 L618 H621	K601-F612 CarbonylContact C-O 3.31Å; K601-F612 VanDerWaalsContact CA-O 3.26Å; K601-F612 WeakPolarHBondContact CA-O 3.49Å; Y603-F612 PolarHBondContact N-O 2.96Å; Y603-F612 PolarHBondContact O-N 3.02Å; C605-F612 HydrophobicContact CB-CE2 4.22Å; K610-F612 HydrophobicContact CB-CE2 3.86Å; K610-F612 HydrophobicContact CB-CZ 4.02Å; K610-F612 WeakPolarHBondContact O-CD2 3.24Å; K610-F612 VanDerWaalsContact O-CE2 3.25Å; K610-F612 WeakPolarHBondContact O-CE2 3.37Å; F612-Q617 HydrophobicContact CB-CB 4.08Å; F612-Q617 HydrophobicContact CD1-CB 3.79Å; F612-Q617 HydrophobicContact CG-CB 4.19Å; F612-L618 HydrophobicContact CB-CB 4.36Å; F612-L618 HydrophobicContact CD2-CB 4.04Å; F612-L618 HydrophobicContact CD2-CD1 3.94Å; F612-L618 HydrophobicContact CE2-CD1 4.16Å; F612-L618 HydrophobicContact CG-CB 4.36Å; F612-H621 HydrophobicContact CE1-CB 4.18Å; F612-H621 HydrophobicContact CE2-CB 3.98Å; F612-H621 AromaticContact CE2-CD2 3.41Å; F612-H621 VanDerWaalsContact CE2-CD2 3.41Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.5Å; F612-H621 AromaticContact CE2-CG 3.81Å; F612-H621 HydrophobicContact CZ-CB 3.6Å; F612-H621 AromaticContact CZ-CD2 3.39Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.48Å; F612-H621 AromaticContact CZ-CG 3.38Å
613	V	83.6	Confident	84.4	Confident	17 Å²	17	69.1 Å²	69.1	10%	0.103	35%	0.354	C	S	.	.	S	Bend	trans	-81.5	-28.8	-179.5	178.3	0	0	0	0	111.6	R595 Q596 K601 Y603	R595-V613 HydrophobicContact CB-CG1 3.6Å; Q596-V613 HydrophobicContact CG-CG1 4.27Å; K601-V613 HydrophobicContact CG-CG2 3.85Å; Y603-V613 WeakPolarHBondContact CE2-O 3.28Å
614	Q	83.1	Confident	84.2	Confident	63 Å²	63	69.6 Å²	69.6	29%	0.294	36%	0.359	S	S	.	.	S	Bend	trans	-127.9	143.7	-179.2	-54.9	-178.4	8.6	0	0	112	A592 Y603 S616 Q617 L618	A592-Q614 HydrophobicContact CB-CG 4.22Å; Y603-Q614 VanDerWaalsContact CD2-C 3.42Å; Q614-S616 WeakPolarHBondContact CB-OG 3.46Å; Q614-S616 PolarHBondContact O-N 2.64Å; Q614-S616 PolarHBondContact OE1-OG 3.24Å; Q614-Q617 HydrophobicContact CB-CG 4.08Å; Q614-Q617 VanDerWaalsContact N-OE1 3.09Å; Q614-Q617 WeakPolarHBondContact O-CB 3.48Å; Q614-Q617 PolarHBondContact O-N 3.05Å; Q614-Q617 VanDerWaalsContact O-N 3.08Å; Q614-L618 PolarHBondContact O-N 2.76Å
615	S	84	Confident	84	Confident	70 Å²	70	70 Å²	70	49%	0.49	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-27.5	175.8	53.6	0	0	0	0	113.5	L618 A619	S615-L618 PolarHBondContact O-N 2.9Å; S615-A619 VanDerWaalsContact O-CB 3.3Å; S615-A619 WeakPolarHBondContact O-CB 3.46Å; S615-A619 PolarHBondContact O-N 3.39Å
616	S	82.7	Confident	83.4	Confident	56 Å²	56	73.2 Å²	73.2	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-38.8	172	49.5	0	0	0	0	112.7	Q614 N620	Q614-S616 WeakPolarHBondContact CB-OG 3.46Å; Q614-S616 PolarHBondContact O-N 2.64Å; Q614-S616 PolarHBondContact OE1-OG 3.24Å; S616-N620 WeakPolarHBondContact O-CB 3.5Å; S616-N620 VanDerWaalsContact O-CG 3.26Å; S616-N620 PolarHBondContact O-N 2.78Å; S616-N620 PolarHBondContact O-ND2 3.11Å
617	Q	83.9	Confident	83	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-69.1	-45	177.1	-63.3	165.7	-20.6	0	0	110.3	F612 Q614 N620 H621	F612-Q617 HydrophobicContact CB-CB 4.08Å; F612-Q617 HydrophobicContact CD1-CB 3.79Å; F612-Q617 HydrophobicContact CG-CB 4.19Å; Q614-Q617 HydrophobicContact CB-CG 4.08Å; Q614-Q617 VanDerWaalsContact N-OE1 3.09Å; Q614-Q617 WeakPolarHBondContact O-CB 3.48Å; Q614-Q617 PolarHBondContact O-N 3.05Å; Q614-Q617 VanDerWaalsContact O-N 3.08Å; Q617-N620 PolarHBondContact O-N 3.31Å; Q617-H621 WeakPolarHBondContact O-CB 3.07Å; Q617-H621 PolarHBondContact O-N 3.29Å
618	L	86.4	Confident	82.7	Confident	24 Å²	24	67 Å²	67	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-47.5	173.6	174.4	61.2	0	0	0	111.8	V604 C605 F612 Q614 S615 N620 H621 I622	V604-L618 WeakPolarHBondContact O-CD1 3.22Å; V604-L618 VanDerWaalsContact O-CD2 3.23Å; V604-L618 WeakPolarHBondContact O-CD2 3.4Å; C605-L618 HydrophobicContact CB-CD1 3.49Å; C605-L618 VanDerWaalsContact CB-CD1 3.49Å; F612-L618 HydrophobicContact CB-CB 4.36Å; F612-L618 HydrophobicContact CD2-CB 4.04Å; F612-L618 HydrophobicContact CD2-CD1 3.94Å; F612-L618 HydrophobicContact CE2-CD1 4.16Å; F612-L618 HydrophobicContact CG-CB 4.36Å; Q614-L618 PolarHBondContact O-N 2.76Å; S615-L618 PolarHBondContact O-N 2.9Å; L618-N620 VanDerWaalsContact C-N 3.33Å; L618-N620 PolarHBondContact O-N 3.02Å; L618-H621 CarbonylContact O-C 3.54Å; L618-H621 WeakPolarHBondContact O-CA 3.37Å; L618-H621 WeakPolarHBondContact O-CB 3.34Å; L618-H621 PolarHBondContact O-N 2.9Å; L618-I622 HydrophobicContact CD1-CD1 3.84Å; L618-I622 HydrophobicContact CD1-CG1 3.97Å; L618-I622 HydrophobicContact CD2-CD1 4.44Å; L618-I622 HydrophobicContact CG-CD1 3.81Å; L618-I622 HydrophobicContact CG-CG1 4.38Å; L618-I622 WeakPolarHBondContact O-CG1 3.35Å; L618-I622 PolarHBondContact O-N 3.14Å
619	A	84.1	Confident	82.3	Confident	45 Å²	45	69.9 Å²	69.9	37%	0.372	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-39	-179.8	0	0	0	0	0	112.6	S615 R623	S615-A619 VanDerWaalsContact O-CB 3.3Å; S615-A619 WeakPolarHBondContact O-CB 3.46Å; S615-A619 PolarHBondContact O-N 3.39Å; A619-R623 WeakPolarHBondContact O-CG 3.03Å; A619-R623 PolarHBondContact O-N 2.86Å
620	N	83.2	Confident	82.1	Confident	54 Å²	54	70.9 Å²	70.9	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-68.6	-36.7	172.7	-68.7	-11.5	0	0	0	111.4	S616 Q617 L618 R623 H624 N642	S616-N620 WeakPolarHBondContact O-CB 3.5Å; S616-N620 VanDerWaalsContact O-CG 3.26Å; S616-N620 PolarHBondContact O-N 2.78Å; S616-N620 PolarHBondContact O-ND2 3.11Å; Q617-N620 PolarHBondContact O-N 3.31Å; L618-N620 VanDerWaalsContact C-N 3.33Å; L618-N620 PolarHBondContact O-N 3.02Å; N620-R623 PolarHBondContact O-N 3.07Å; N620-H624 PolarHBondContact O-CD2 2.76Å; N620-H624 PolarHBondContact O-N 3.28Å; N620-N642 PolarHBondContact ND2-OD1 3.41Å; N620-N642 VanDerWaalsContact ND2-OD1 3.11Å
621	H	84.9	Confident	81.8	Confident	32 Å²	32	67.4 Å²	67.4	15%	0.148	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-41.1	175.8	-178.7	52.9	0	0	0	113.1	C605 C608 F612 Q617 L618 R623 H624 H625	C605-H621 VanDerWaalsContact SG-CD2 3.57Å; C608-H621 PolarHBondContact SG-NE2 3.15Å; F612-H621 HydrophobicContact CE1-CB 4.18Å; F612-H621 HydrophobicContact CE2-CB 3.98Å; F612-H621 AromaticContact CE2-CD2 3.41Å; F612-H621 VanDerWaalsContact CE2-CD2 3.41Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.5Å; F612-H621 AromaticContact CE2-CG 3.81Å; F612-H621 HydrophobicContact CZ-CB 3.6Å; F612-H621 AromaticContact CZ-CD2 3.39Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.48Å; F612-H621 AromaticContact CZ-CG 3.38Å; Q617-H621 WeakPolarHBondContact O-CB 3.07Å; Q617-H621 PolarHBondContact O-N 3.29Å; L618-H621 CarbonylContact O-C 3.54Å; L618-H621 WeakPolarHBondContact O-CA 3.37Å; L618-H621 WeakPolarHBondContact O-CB 3.34Å; L618-H621 PolarHBondContact O-N 2.9Å; H621-R623 VanDerWaalsContact C-N 3.31Å; H621-R623 PolarHBondContact O-N 3.44Å; H621-H624 WeakPolarHBondContact O-CB 3.34Å; H621-H624 PolarHBondContact O-N 3.42Å; H621-H625 AromaticContact CD2-NE2 3.75Å; H621-H625 AromaticContact CE1-NE2 3.46Å; H621-H625 PolarHBondContact CE1-NE2 2.96Å; H621-H625 AromaticContact NE2-CD2 3.88Å; H621-H625 AromaticContact NE2-CE1 3.88Å; H621-H625 AromaticContact NE2-NE2 3.04Å; H621-H625 PolarHBondContact NE2-NE2 3.22Å; H621-H625 PolarHBondContact O-N 2.93Å
622	I	84	Confident	81.7	Confident	57 Å²	57	67.1 Å²	67.1	29%	0.292	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-43	176.2	-70.3	166.7	0	0	0	110.8	L618 H624 H625 D626	L618-I622 HydrophobicContact CD1-CD1 3.84Å; L618-I622 HydrophobicContact CD1-CG1 3.97Å; L618-I622 HydrophobicContact CD2-CD1 4.44Å; L618-I622 HydrophobicContact CG-CD1 3.81Å; L618-I622 HydrophobicContact CG-CG1 4.38Å; L618-I622 WeakPolarHBondContact O-CG1 3.35Å; L618-I622 PolarHBondContact O-N 3.14Å; I622-H624 PolarHBondContact O-N 2.88Å; I622-H624 VanDerWaalsContact O-N 3.14Å; I622-H625 WeakPolarHBondContact O-CA 3.41Å; I622-H625 WeakPolarHBondContact O-CB 3.1Å; I622-H625 PolarHBondContact O-N 3.34Å; I622-D626 WeakPolarHBondContact CG2-OD2 3.42Å; I622-D626 PolarHBondContact O-N 3.29Å
623	R	84	Confident	81.8	Confident	89 Å²	89	65.2 Å²	65.2	34%	0.336	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-23.8	174	-66.7	172.2	-171.8	174.4	2.4	114.5	A619 N620 H621 N627 V628 V641	A619-R623 WeakPolarHBondContact O-CG 3.03Å; A619-R623 PolarHBondContact O-N 2.86Å; N620-R623 PolarHBondContact O-N 3.07Å; H621-R623 VanDerWaalsContact C-N 3.31Å; H621-R623 PolarHBondContact O-N 3.44Å; R623-N627 CarbonylContact O-C 3.56Å; R623-N627 PolarHBondContact O-N 3.05Å; R623-V628 PolarHBondContact O-N 3.31Å; R623-V628 VanDerWaalsContact O-N 3.12Å; R623-V641 HydrophobicContact CB-CG1 3.56Å; R623-V641 HydrophobicContact CG-CG1 4.42Å
624	H	79.6	Confident	81.5	Confident	92 Å²	92	73.4 Å²	73.4	43%	0.426	37%	0.374	S	S	.	.	H	α-helix	trans	-73	-31.6	171.9	-76.9	-84.3	0	0	0	112.2	N620 H621 I622	N620-H624 PolarHBondContact O-CD2 2.76Å; N620-H624 PolarHBondContact O-N 3.28Å; H621-H624 WeakPolarHBondContact O-CB 3.34Å; H621-H624 PolarHBondContact O-N 3.42Å; I622-H624 PolarHBondContact O-N 2.88Å; I622-H624 VanDerWaalsContact O-N 3.14Å
625	H	80.3	Confident	81.2	Confident	66 Å²	66	77 Å²	77	31%	0.306	39%	0.392	S	S	.	.	H	α-helix	trans	-72.8	-43.7	172.3	-65.1	-67.2	0	0	0	111.8	C608 H621 I622 N627	C608-H625 PolarHBondContact SG-NE2 2.9Å; C608-H625 VanDerWaalsContact SG-NE2 3.38Å; H621-H625 AromaticContact CD2-NE2 3.75Å; H621-H625 AromaticContact CE1-NE2 3.46Å; H621-H625 PolarHBondContact CE1-NE2 2.96Å; H621-H625 AromaticContact NE2-CD2 3.88Å; H621-H625 AromaticContact NE2-CE1 3.88Å; H621-H625 AromaticContact NE2-NE2 3.04Å; H621-H625 PolarHBondContact NE2-NE2 3.22Å; H621-H625 PolarHBondContact O-N 2.93Å; I622-H625 WeakPolarHBondContact O-CA 3.41Å; I622-H625 WeakPolarHBondContact O-CB 3.1Å; I622-H625 PolarHBondContact O-N 3.34Å; H625-N627 PolarHBondContact O-N 2.95Å
626	D	79.1	Confident	81.1	Confident	70 Å²	70	75.9 Å²	75.9	37%	0.374	38%	0.384	S	S	.	.	S	Bend	trans	-71.3	-5	177	-58	-45.5	0	0	0	113.3	R607 I622 V628	R607-D626 IonicContact CZ-OD1 3.62Å; R607-D626 IonicContact NH1-OD1 3.42Å; R607-D626 PolarHBondContact NH1-OD1 3.09Å; R607-D626 IonicContact NH2-OD1 2.73Å; R607-D626 PolarHBondContact NH2-OD1 3.36Å; I622-D626 WeakPolarHBondContact CG2-OD2 3.42Å; I622-D626 PolarHBondContact O-N 3.29Å; D626-V628 HydrophobicContact CB-CB 4.21Å; D626-V628 HydrophobicContact CB-CG2 3.69Å; D626-V628 PolarHBondContact O-N 2.91Å
627	N	73.7	Confident	80.8	Confident	105 Å²	105	79.1 Å²	79.1	56%	0.561	40%	0.397	S	S	*	.			trans	51.8	11.7	-167.1	-79.7	-74.4	0	0	0	115.5	R623 H625 R629	R623-N627 CarbonylContact O-C 3.56Å; R623-N627 PolarHBondContact O-N 3.05Å; H625-N627 PolarHBondContact O-N 2.95Å; N627-R629 WeakPolarHBondContact O-CD 3.08Å; N627-R629 WeakPolarHBondContact O-CG 3.44Å; N627-R629 PolarHBondContact O-N 2.84Å
628	V	76.4	Confident	80.7	Confident	74 Å²	74	81.9 Å²	81.9	45%	0.448	41%	0.408	S	S	.	.			trans	-64.9	108.4	179.2	170.6	0	0	0	0	109.5	R623 D626 P630	R623-V628 PolarHBondContact O-N 3.31Å; R623-V628 VanDerWaalsContact O-N 3.12Å; D626-V628 HydrophobicContact CB-CB 4.21Å; D626-V628 HydrophobicContact CB-CG2 3.69Å; D626-V628 PolarHBondContact O-N 2.91Å; V628-P630 HydrophobicContact CG1-CG 4.04Å; V628-P630 WeakPolarHBondContact O-CD 3.41Å
629	R	78	Confident	80.5	Confident	110 Å²	110	82 Å²	82	42%	0.415	41%	0.412	S	S	.	.			trans	-119.1	82.1	-177.5	-71.2	155.1	-179.7	-91.1	2.6	109.7	N627 H631 A639 F640 V641	N627-R629 WeakPolarHBondContact O-CD 3.08Å; N627-R629 WeakPolarHBondContact O-CG 3.44Å; N627-R629 PolarHBondContact O-N 2.84Å; R629-H631 PolarHBondContact O-N 2.95Å; R629-A639 HydrophobicContact CB-CB 3.57Å; R629-A639 WeakPolarHBondContact CD-O 3.35Å; R629-A639 HydrophobicContact CG-CB 4.45Å; R629-A639 PolarHBondContact NH1-O 3.4Å; R629-F640 CarbonylContact C-O 3.5Å; R629-F640 VanDerWaalsContact C-O 3.31Å; R629-F640 WeakPolarHBondContact CA-O 3.46Å; R629-V641 HydrophobicContact CG-CG2 3.81Å
630	P	78.3	Confident	80.3	Confident	70 Å²	70	81.9 Å²	81.9	46%	0.455	40%	0.403	S	S	.	.			trans	-67.3	-23.4	-171.7	-18.9	32.7	0	0	0	113.4	V628 K632	V628-P630 HydrophobicContact CG1-CG 4.04Å; V628-P630 WeakPolarHBondContact O-CD 3.41Å; P630-K632 PolarHBondContact O-N 2.77Å
631	H	79.8	Confident	80.2	Confident	54 Å²	54	79.5 Å²	79.5	25%	0.25	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	85	-167.9	-57	-60.4	0	0	0	110.3	R629 F640 V643 L646	R629-H631 PolarHBondContact O-N 2.95Å; H631-F640 HydrophobicContact CB-CB 4.47Å; H631-F640 WeakPolarHBondContact CB-O 3.42Å; H631-F640 PolarHBondContact N-O 2.82Å; H631-F640 VanDerWaalsContact N-O 3.1Å; H631-F640 PolarHBondContact O-N 2.73Å; H631-V643 PolarHBondContact CD2-N 2.95Å; H631-V643 VanDerWaalsContact CE1-CG2 3.4Å; H631-V643 WeakPolarHBondContact CE1-CG2 3.43Å; H631-L646 HydrophobicContact CB-CB 4.15Å; H631-L646 HydrophobicContact CB-CD2 3.82Å
632	K	82.6	Confident	80.1	Confident	146 Å²	146	79.5 Å²	79.5	64%	0.635	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	137	175.5	-61.1	-175	-179.7	-178.2	0	111	P630 A639	P630-K632 PolarHBondContact O-N 2.77Å; K632-A639 HydrophobicContact CG-CB 4.02Å
633	C	85.4	Confident	79.9	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.014	40%	0.402	C	S	.	.			trans	-81.3	121	171.7	-175.2	0	0	0	0	110.4	M635 C636 N637 K638 F640 L646	C633-M635 VanDerWaalsContact C-N 3.25Å; C633-M635 PolarHBondContact O-N 3.28Å; C633-C636 PolarHBondContact O-N 3.48Å; C633-N637 WeakPolarHBondContact O-CA 3.26Å; C633-N637 PolarHBondContact O-N 2.88Å; C633-K638 WeakPolarHBondContact CB-O 3.1Å; C633-K638 PolarHBondContact N-O 3.15Å; C633-F640 HydrophobicContact CB-CE2 4.4Å; C633-L646 HydrophobicContact CB-CD1 3.53Å
634	Q	78.9	Confident	79.7	Confident	188 Å²	188	78.5 Å²	78.5	88%	0.879	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.7	-179.6	-70.1	178.6	-21.6	0	0	113.3
635	M	76.9	Confident	79.7	Confident	140 Å²	140	76.5 Å²	76.5	69%	0.69	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.3	-177.3	-57.4	-56.3	-70.3	0	0	114.4	C633 H653	C633-M635 VanDerWaalsContact C-N 3.25Å; C633-M635 PolarHBondContact O-N 3.28Å; M635-H653 HydrophobicContact CB-CB 4.14Å; M635-H653 HydrophobicContact CG-CB 4.13Å
636	C	81.3	Confident	79.9	Confident	45 Å²	45	74.4 Å²	74.4	30%	0.304	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	13.4	-177.9	74.4	0	0	0	0	115.2	C633 K638 H649 H653	C633-C636 PolarHBondContact O-N 3.48Å; C636-K638 PolarHBondContact O-N 2.88Å; C636-H649 PolarHBondContact SG-NE2 3.3Å; C636-H653 PolarHBondContact SG-CE1 2.97Å; C636-H653 PolarHBondContact SG-NE2 3.49Å
637	N	76.9	Confident	80	Confident	125 Å²	125	73.9 Å²	73.9	67%	0.668	39%	0.391	S	S	*	.			trans	57.2	1.9	-179.5	-66.9	-52.7	0	0	0	117.5	C633 A639	C633-N637 WeakPolarHBondContact O-CA 3.26Å; C633-N637 PolarHBondContact O-N 2.88Å; N637-A639 PolarHBondContact O-N 2.82Å
638	K	80.3	Confident	80.3	Confident	132 Å²	132	73.9 Å²	73.9	57%	0.574	39%	0.386	S	S	*	.			trans	-60.7	133.6	174.7	-69.4	-175.8	-179.4	-174.9	0	111.1	C633 C636 F640	C633-K638 WeakPolarHBondContact CB-O 3.1Å; C633-K638 PolarHBondContact N-O 3.15Å; C636-K638 PolarHBondContact O-N 2.88Å; K638-F640 HydrophobicContact CB-CE2 3.89Å; K638-F640 HydrophobicContact CB-CZ 4.15Å; K638-F640 WeakPolarHBondContact O-CD2 3.38Å; K638-F640 WeakPolarHBondContact O-CE2 3.19Å
639	A	82.2	Confident	80.6	Confident	27 Å²	27	71.3 Å²	71.3	22%	0.223	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.9	-170	0	0	0	0	0	112.9	R629 K632 N637	R629-A639 HydrophobicContact CB-CB 3.57Å; R629-A639 WeakPolarHBondContact CD-O 3.35Å; R629-A639 HydrophobicContact CG-CB 4.45Å; R629-A639 PolarHBondContact NH1-O 3.4Å; K632-A639 HydrophobicContact CG-CB 4.02Å; N637-A639 PolarHBondContact O-N 2.82Å
640	F	81.5	Confident	80.6	Confident	41 Å²	41	69.3 Å²	69.3	18%	0.18	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.7	-174.2	-59.9	-90.9	0	0	0	112.1	R629 H631 C633 K638 D645 L646 H649	R629-F640 CarbonylContact C-O 3.5Å; R629-F640 VanDerWaalsContact C-O 3.31Å; R629-F640 WeakPolarHBondContact CA-O 3.46Å; H631-F640 HydrophobicContact CB-CB 4.47Å; H631-F640 WeakPolarHBondContact CB-O 3.42Å; H631-F640 PolarHBondContact N-O 2.82Å; H631-F640 VanDerWaalsContact N-O 3.1Å; H631-F640 PolarHBondContact O-N 2.73Å; C633-F640 HydrophobicContact CB-CE2 4.4Å; K638-F640 HydrophobicContact CB-CE2 3.89Å; K638-F640 HydrophobicContact CB-CZ 4.15Å; K638-F640 WeakPolarHBondContact O-CD2 3.38Å; K638-F640 WeakPolarHBondContact O-CE2 3.19Å; F640-D645 HydrophobicContact CB-CB 4.48Å; F640-D645 HydrophobicContact CD1-CB 4.11Å; F640-L646 HydrophobicContact CB-CB 4.19Å; F640-L646 HydrophobicContact CD2-CB 4.1Å; F640-L646 HydrophobicContact CD2-CD1 3.96Å; F640-L646 HydrophobicContact CE2-CD1 4.29Å; F640-L646 HydrophobicContact CG-CB 4.28Å; F640-H649 HydrophobicContact CE1-CB 4.04Å; F640-H649 HydrophobicContact CE2-CB 3.93Å; F640-H649 AromaticContact CE2-CD2 3.28Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.42Å; F640-H649 AromaticContact CE2-CG 3.65Å; F640-H649 AromaticContact CE2-NE2 3.99Å; F640-H649 HydrophobicContact CZ-CB 3.55Å; F640-H649 AromaticContact CZ-CD2 3.39Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.46Å; F640-H649 AromaticContact CZ-CG 3.29Å; F640-H649 AromaticContact CZ-ND1 3.85Å; F640-H649 AromaticContact CZ-NE2 3.97Å
641	V	80.9	Confident	80.8	Confident	4 Å²	4	68 Å²	68	2%	0.024	36%	0.355	C	S	.	.	S	Bend	trans	-76.7	-29.8	179.2	177.3	0	0	0	0	112	R623 R629	R623-V641 HydrophobicContact CB-CG1 3.56Å; R623-V641 HydrophobicContact CG-CG1 4.42Å; R629-V641 HydrophobicContact CG-CG2 3.81Å
642	N	81.4	Confident	80.7	Confident	33 Å²	33	70.8 Å²	70.8	18%	0.176	37%	0.37	C	S	.	.	S	Bend	trans	-125.7	142.8	-176.3	-48.5	-57.5	0	0	0	111.6	N620 G644 D645 L646	N620-N642 PolarHBondContact ND2-OD1 3.41Å; N620-N642 VanDerWaalsContact ND2-OD1 3.11Å; N642-G644 VanDerWaalsContact C-N 3.27Å; N642-G644 PolarHBondContact O-N 3.38Å; N642-D645 WeakPolarHBondContact CB-OD2 3.41Å; N642-D645 PolarHBondContact ND2-OD2 3.29Å; N642-D645 PolarHBondContact O-N 3.37Å; N642-D645 VanDerWaalsContact O-N 3.13Å; N642-L646 PolarHBondContact O-N 3Å
643	V	79.7	Confident	80.4	Confident	84 Å²	84	67.1 Å²	67.1	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-54	-44	172.4	-178.7	0	0	0	0	111.5	H631 D645 L646 S647	H631-V643 PolarHBondContact CD2-N 2.95Å; H631-V643 VanDerWaalsContact CE1-CG2 3.4Å; H631-V643 WeakPolarHBondContact CE1-CG2 3.43Å; V643-D645 PolarHBondContact O-N 2.89Å; V643-L646 CarbonylContact O-C 3.39Å; V643-L646 WeakPolarHBondContact O-CB 3.4Å; V643-L646 PolarHBondContact O-N 3.48Å; V643-S647 PolarHBondContact O-N 3.42Å; V643-S647 PolarHBondContact O-OG 2.98Å; V643-S647 VanDerWaalsContact O-OG 3.1Å
644	G	79.8	Confident	79.9	Confident	40 Å²	40	70.4 Å²	70.4	41%	0.412	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-24.7	-178.7	0	0	0	0	0	114.5	N642 K648	N642-G644 VanDerWaalsContact C-N 3.27Å; N642-G644 PolarHBondContact O-N 3.38Å; G644-K648 WeakPolarHBondContact O-CE 3.35Å; G644-K648 VanDerWaalsContact O-CG 3.26Å; G644-K648 WeakPolarHBondContact O-CG 3.23Å; G644-K648 PolarHBondContact O-N 3.2Å
645	D	81.3	Confident	79.5	Confident	50 Å²	50	63.4 Å²	63.4	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-85.1	-33.9	175.7	-60.9	-45.8	0	0	0	111.5	F640 N642 V643 S647 K648 H649	F640-D645 HydrophobicContact CB-CB 4.48Å; F640-D645 HydrophobicContact CD1-CB 4.11Å; N642-D645 WeakPolarHBondContact CB-OD2 3.41Å; N642-D645 PolarHBondContact ND2-OD2 3.29Å; N642-D645 PolarHBondContact O-N 3.37Å; N642-D645 VanDerWaalsContact O-N 3.13Å; V643-D645 PolarHBondContact O-N 2.89Å; D645-S647 VanDerWaalsContact C-N 3.35Å; D645-K648 PolarHBondContact O-N 3.46Å; D645-K648 IonicContact OD1-NZ 2.73Å; D645-K648 PolarHBondContact OD1-NZ 2.85Å; D645-H649 WeakPolarHBondContact O-CB 3.39Å; D645-H649 PolarHBondContact O-N 2.73Å
646	L	83.4	Confident	79.3	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.12	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-43.9	164.7	173	60.7	0	0	0	111.1	H631 C633 F640 N642 V643 H649 I650	H631-L646 HydrophobicContact CB-CB 4.15Å; H631-L646 HydrophobicContact CB-CD2 3.82Å; C633-L646 HydrophobicContact CB-CD1 3.53Å; F640-L646 HydrophobicContact CB-CB 4.19Å; F640-L646 HydrophobicContact CD2-CB 4.1Å; F640-L646 HydrophobicContact CD2-CD1 3.96Å; F640-L646 HydrophobicContact CE2-CD1 4.29Å; F640-L646 HydrophobicContact CG-CB 4.28Å; N642-L646 PolarHBondContact O-N 3Å; V643-L646 CarbonylContact O-C 3.39Å; V643-L646 WeakPolarHBondContact O-CB 3.4Å; V643-L646 PolarHBondContact O-N 3.48Å; L646-H649 CarbonylContact O-C 3.49Å; L646-H649 WeakPolarHBondContact O-CA 3.43Å; L646-H649 WeakPolarHBondContact O-CB 3.36Å; L646-H649 PolarHBondContact O-N 3.19Å; L646-H649 VanDerWaalsContact O-N 3.08Å; L646-I650 HydrophobicContact CD1-CD1 3.89Å; L646-I650 HydrophobicContact CD1-CG1 3.95Å; L646-I650 HydrophobicContact CD2-CD1 4.42Å; L646-I650 HydrophobicContact CG-CD1 3.8Å; L646-I650 HydrophobicContact CG-CG1 4.33Å; L646-I650 WeakPolarHBondContact O-CG1 3.32Å; L646-I650 PolarHBondContact O-N 3.08Å
647	S	81.9	Confident	79.1	Confident	58 Å²	58	63.6 Å²	63.6	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-46.5	177.3	-57.7	0	0	0	0	112.3	V643 D645 H649 I650 I651	V643-S647 PolarHBondContact O-N 3.42Å; V643-S647 PolarHBondContact O-OG 2.98Å; V643-S647 VanDerWaalsContact O-OG 3.1Å; D645-S647 VanDerWaalsContact C-N 3.35Å; S647-H649 PolarHBondContact O-N 3.42Å; S647-I650 PolarHBondContact O-N 2.72Å; S647-I651 WeakPolarHBondContact O-CG1 3.36Å; S647-I651 PolarHBondContact O-N 2.73Å
648	K	78.9	Confident	79	Confident	105 Å²	105	58.5 Å²	58.5	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-34	173.1	-68.8	164.3	-157.6	167.1	0	112.2	G644 D645	G644-K648 WeakPolarHBondContact O-CE 3.35Å; G644-K648 VanDerWaalsContact O-CG 3.26Å; G644-K648 WeakPolarHBondContact O-CG 3.23Å; G644-K648 PolarHBondContact O-N 3.2Å; D645-K648 PolarHBondContact O-N 3.46Å; D645-K648 IonicContact OD1-NZ 2.73Å; D645-K648 PolarHBondContact OD1-NZ 2.85Å
649	H	82.1	Confident	78.8	Confident	21 Å²	21	53.8 Å²	53.8	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-35.5	179.7	178.6	60.3	0	0	0	113.4	C636 F640 D645 L646 S647 I651 I652 H653	C636-H649 PolarHBondContact SG-NE2 3.3Å; F640-H649 HydrophobicContact CE1-CB 4.04Å; F640-H649 HydrophobicContact CE2-CB 3.93Å; F640-H649 AromaticContact CE2-CD2 3.28Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.42Å; F640-H649 AromaticContact CE2-CG 3.65Å; F640-H649 AromaticContact CE2-NE2 3.99Å; F640-H649 HydrophobicContact CZ-CB 3.55Å; F640-H649 AromaticContact CZ-CD2 3.39Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.46Å; F640-H649 AromaticContact CZ-CG 3.29Å; F640-H649 AromaticContact CZ-ND1 3.85Å; F640-H649 AromaticContact CZ-NE2 3.97Å; D645-H649 WeakPolarHBondContact O-CB 3.39Å; D645-H649 PolarHBondContact O-N 2.73Å; L646-H649 CarbonylContact O-C 3.49Å; L646-H649 WeakPolarHBondContact O-CA 3.43Å; L646-H649 WeakPolarHBondContact O-CB 3.36Å; L646-H649 PolarHBondContact O-N 3.19Å; L646-H649 VanDerWaalsContact O-N 3.08Å; S647-H649 PolarHBondContact O-N 3.42Å; H649-I651 VanDerWaalsContact C-N 3.27Å; H649-I651 PolarHBondContact O-N 3.21Å; H649-I652 VanDerWaalsContact O-CB 3.25Å; H649-I652 WeakPolarHBondContact O-CB 3.35Å; H649-I652 WeakPolarHBondContact O-CG1 3.43Å; H649-I652 PolarHBondContact O-N 2.75Å; H649-H653 AromaticContact CD2-NE2 3.72Å; H649-H653 AromaticContact CE1-NE2 3.3Å; H649-H653 PolarHBondContact CE1-NE2 3.25Å; H649-H653 VanDerWaalsContact CE1-NE2 3.3Å; H649-H653 AromaticContact NE2-CD2 3.78Å; H649-H653 AromaticContact NE2-CE1 3.97Å; H649-H653 AromaticContact NE2-NE2 2.95Å; H649-H653 PolarHBondContact NE2-NE2 3.39Å
650	I	79.9	Confident	78.7	Confident	68 Å²	68	54.3 Å²	54.3	35%	0.349	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-37.1	176.5	-71.9	165.6	0	0	0	111.2	L646 S647 I652 H653 T654	L646-I650 HydrophobicContact CD1-CD1 3.89Å; L646-I650 HydrophobicContact CD1-CG1 3.95Å; L646-I650 HydrophobicContact CD2-CD1 4.42Å; L646-I650 HydrophobicContact CG-CD1 3.8Å; L646-I650 HydrophobicContact CG-CG1 4.33Å; L646-I650 WeakPolarHBondContact O-CG1 3.32Å; L646-I650 PolarHBondContact O-N 3.08Å; S647-I650 PolarHBondContact O-N 2.72Å; I650-I652 PolarHBondContact O-N 3.42Å; I650-I652 VanDerWaalsContact O-N 3.08Å; I650-H653 PolarHBondContact O-N 3.36Å; I650-T654 HydrophobicContact CG2-CG2 4.15Å; I650-T654 PolarHBondContact O-N 2.88Å
651	I	80.8	Confident	78.8	Confident	42 Å²	42	52.4 Å²	52.4	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-16.1	175.2	-57.3	165.1	0	0	0	112.3	S647 H649 E656 P658 N669	S647-I651 WeakPolarHBondContact O-CG1 3.36Å; S647-I651 PolarHBondContact O-N 2.73Å; H649-I651 VanDerWaalsContact C-N 3.27Å; H649-I651 PolarHBondContact O-N 3.21Å; I651-E656 HydrophobicContact CG2-CB 4.27Å; I651-E656 WeakPolarHBondContact CG2-O 3.21Å; I651-P658 HydrophobicContact CG2-CG 4.43Å; I651-N669 HydrophobicContact CG2-CB 3.92Å; I651-N669 PolarHBondContact O-ND2 2.89Å
652	I	78.8	Confident	78.6	Confident	113 Å²	113	54 Å²	54	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-77.9	-34.4	172.1	-51.2	178.4	0	0	0	110.7	H649 I650	H649-I652 VanDerWaalsContact O-CB 3.25Å; H649-I652 WeakPolarHBondContact O-CB 3.35Å; H649-I652 WeakPolarHBondContact O-CG1 3.43Å; H649-I652 PolarHBondContact O-N 2.75Å; I650-I652 PolarHBondContact O-N 3.42Å; I650-I652 VanDerWaalsContact O-N 3.08Å
653	H	75.9	Confident	78.2	Confident	69 Å²	69	59.2 Å²	59.2	32%	0.319	32%	0.32	S	S	.	.	H	α-helix	trans	-82.3	-38.4	180	-64.1	-67.9	0	0	0	113.3	M635 C636 H649 I650 G655	M635-H653 HydrophobicContact CB-CB 4.14Å; M635-H653 HydrophobicContact CG-CB 4.13Å; C636-H653 PolarHBondContact SG-CE1 2.97Å; C636-H653 PolarHBondContact SG-NE2 3.49Å; H649-H653 AromaticContact CD2-NE2 3.72Å; H649-H653 AromaticContact CE1-NE2 3.3Å; H649-H653 PolarHBondContact CE1-NE2 3.25Å; H649-H653 VanDerWaalsContact CE1-NE2 3.3Å; H649-H653 AromaticContact NE2-CD2 3.78Å; H649-H653 AromaticContact NE2-CE1 3.97Å; H649-H653 AromaticContact NE2-NE2 2.95Å; H649-H653 PolarHBondContact NE2-NE2 3.39Å; I650-H653 PolarHBondContact O-N 3.36Å; H653-G655 PolarHBondContact O-N 2.65Å
654	T	75.1	Confident	78	Confident	70 Å²	70	58 Å²	58	43%	0.429	32%	0.315	S	S	.	.	S	Bend	trans	-72.7	-11.4	176.4	63.6	0	0	0	0	112.5	I650 E656	I650-T654 HydrophobicContact CG2-CG2 4.15Å; I650-T654 PolarHBondContact O-N 2.88Å; T654-E656 WeakPolarHBondContact CB-OE1 3.3Å; T654-E656 WeakPolarHBondContact CG2-OE1 3.25Å; T654-E656 PolarHBondContact O-N 2.83Å; T654-E656 VanDerWaalsContact OG1-CD 3.25Å; T654-E656 WeakPolarHBondContact OG1-CG 3.38Å; T654-E656 PolarHBondContact OG1-OE1 2.78Å
655	G	70.6	Confident	77.8	Confident	42 Å²	42	58.7 Å²	58.7	43%	0.433	32%	0.322	S	S	.	.			trans	67.8	-0.9	-177.1	0	0	0	0	0	114.2	H653	H653-G655 PolarHBondContact O-N 2.65Å
656	E	73.4	Confident	77.6	Confident	81 Å²	81	64.1 Å²	64.1	38%	0.379	34%	0.339	S	S	.	.			trans	-56.4	139.3	-178.1	-77.3	167.5	-117.7	0	0	111.5	I651 T654 P658 N669	I651-E656 HydrophobicContact CG2-CB 4.27Å; I651-E656 WeakPolarHBondContact CG2-O 3.21Å; T654-E656 WeakPolarHBondContact CB-OE1 3.3Å; T654-E656 WeakPolarHBondContact CG2-OE1 3.25Å; T654-E656 PolarHBondContact O-N 2.83Å; T654-E656 VanDerWaalsContact OG1-CD 3.25Å; T654-E656 WeakPolarHBondContact OG1-CG 3.38Å; T654-E656 PolarHBondContact OG1-OE1 2.78Å; E656-P658 HydrophobicContact CB-CG 4.4Å; E656-P658 WeakPolarHBondContact O-CD 3.42Å; E656-N669 PolarHBondContact O-ND2 3Å
657	K	76.1	Confident	77.3	Confident	108 Å²	108	63.8 Å²	63.8	47%	0.47	34%	0.341	S	S	.	.			trans	-123.9	74.6	177.6	-77.5	160.3	175.5	169.4	0	108.7	F659 G667 F668	K657-F659 PolarHBondContact O-N 2.89Å; K657-G667 WeakPolarHBondContact CD-O 3.45Å; K657-F668 CarbonylContact C-O 3.28Å; K657-F668 WeakPolarHBondContact CA-O 3.37Å
658	P	74.9	Confident	77.1	Confident	17 Å²	17	62.4 Å²	62.4	11%	0.11	33%	0.328	C	S	.	.			trans	-67.4	-11.7	-170	-19.4	33.5	0	0	0	113.7	I651 E656 R690 L691	I651-P658 HydrophobicContact CG2-CG 4.43Å; E656-P658 HydrophobicContact CB-CG 4.4Å; E656-P658 WeakPolarHBondContact O-CD 3.42Å; P658-R690 CarbonylContact O-C 3.17Å; P658-R690 VanDerWaalsContact O-CA 3.3Å; P658-R690 WeakPolarHBondContact O-CA 3.22Å; P658-L691 PolarHBondContact O-N 3.47Å
659	F	77.1	Confident	77.1	Confident	34 Å²	34	59.6 Å²	59.6	15%	0.149	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.1	-175.6	-49.6	-71.5	0	0	0	109.2	K657 G667 F668 V671 L674 R690	K657-F659 PolarHBondContact O-N 2.89Å; F659-G667 WeakPolarHBondContact O-CA 3.18Å; F659-F668 PolarHBondContact N-O 3.49Å; F659-F668 PolarHBondContact O-N 3.3Å; F659-V671 HydrophobicContact CD1-CG2 3.65Å; F659-V671 HydrophobicContact CD2-CG2 4.11Å; F659-V671 HydrophobicContact CE1-CG2 3.39Å; F659-V671 HydrophobicContact CE2-CG2 3.88Å; F659-V671 HydrophobicContact CG-CG2 4Å; F659-V671 HydrophobicContact CZ-CG2 3.52Å; F659-L674 HydrophobicContact CB-CB 4.4Å; F659-L674 HydrophobicContact CB-CD2 3.7Å; F659-R690 HydrophobicContact CD1-CG 4.25Å; F659-R690 HydrophobicContact CE1-CG 4.1Å
660	L	79.8	Confident	76.9	Confident	37 Å²	37	64 Å²	64	19%	0.194	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.2	-179.1	-56.4	-175.7	0	0	0	110.9	G667 L674 K689 L691	L660-G667 VanDerWaalsContact CD2-CA 3.49Å; L660-L674 WeakPolarHBondContact O-CD2 3.22Å; L660-K689 HydrophobicContact CB-CB 4.11Å; L660-K689 PolarHBondContact N-O 3.14Å; L660-K689 PolarHBondContact O-N 3.36Å; L660-L691 HydrophobicContact CD1-CD1 4.12Å; L660-L691 HydrophobicContact CD1-CD2 4.05Å; L660-L691 HydrophobicContact CD1-CG 3.99Å; L660-L691 HydrophobicContact CD2-CD1 4.26Å; L660-L691 HydrophobicContact CG-CD1 4.24Å; L660-L691 HydrophobicContact CG-CG 4.17Å
661	C	82.6	Confident	76.8	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.014	33%	0.333	C	S	.	.			trans	-74.9	119.3	170.5	164.8	0	0	0	0	111.6	K663 C664 G665 R666 F668 L674 H682	C661-K663 VanDerWaalsContact C-N 3.32Å; C661-K663 PolarHBondContact O-N 3.48Å; C661-C664 HydrophobicContact CB-CB 4.38Å; C661-C664 WeakPolarHBondContact CB-SG 3.45Å; C661-C664 PolarHBondContact O-N 2.99Å; C661-C664 WeakPolarHBondContact SG-CB 3.09Å; C661-C664 PolarHBondContact SG-N 3.19Å; C661-C664 CovalentContact SG-SG 2.04Å; C661-C664 PolarHBondContact SG-SG 3.38Å; C661-G665 WeakPolarHBondContact O-CA 3.2Å; C661-G665 PolarHBondContact O-N 3.46Å; C661-R666 HydrophobicContact CB-CB 4.27Å; C661-R666 VanDerWaalsContact CB-O 3.3Å; C661-R666 WeakPolarHBondContact CB-O 3.41Å; C661-R666 PolarHBondContact N-O 3.27Å; C661-F668 HydrophobicContact CB-CE2 4.31Å; C661-L674 HydrophobicContact CB-CD1 3.85Å; C661-H682 PolarHBondContact SG-NE2 3.11Å
662	D	78.1	Confident	76.7	Confident	38 Å²	38	65.6 Å²	65.6	20%	0.203	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.3	-173.2	-80	19.3	0	0	0	115	G687 M688 K689	D662-G687 WeakPolarHBondContact CB-O 3.35Å; D662-G687 PolarHBondContact N-O 2.94Å; D662-G687 WeakPolarHBondContact OD2-CA 3.02Å; D662-M688 PolarHBondContact OD1-N 2.94Å; D662-K689 VanDerWaalsContact OD1-CB 3.31Å; D662-K689 WeakPolarHBondContact OD1-CB 3.39Å; D662-K689 WeakPolarHBondContact OD1-CD 3.49Å; D662-K689 WeakPolarHBondContact OD1-CE 3.46Å; D662-K689 WeakPolarHBondContact OD1-CG 3.49Å; D662-K689 PolarHBondContact OD1-N 3.47Å; D662-K689 WeakPolarHBondContact OD2-CE 3.28Å
663	K	71.3	Confident	76.9	Confident	142 Å²	142	64 Å²	64	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.7	-177.4	-74.9	-167.3	168.6	172.7	0	114.6	C661 K685 A686	C661-K663 VanDerWaalsContact C-N 3.32Å; C661-K663 PolarHBondContact O-N 3.48Å; K663-K685 WeakPolarHBondContact CD-O 3.33Å; K663-K685 WeakPolarHBondContact CE-O 3.33Å; K663-K685 PolarHBondContact NZ-O 2.96Å; K663-A686 HydrophobicContact CB-CB 4.26Å; K663-A686 HydrophobicContact CD-CB 4.06Å; K663-A686 HydrophobicContact CG-CB 3.99Å
664	C	77.4	Confident	77.1	Confident	57 Å²	57	60.7 Å²	60.7	39%	0.385	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-0.5	-170.8	75.2	0	0	0	0	114.9	C661 R666 H677	C661-C664 HydrophobicContact CB-CB 4.38Å; C661-C664 WeakPolarHBondContact CB-SG 3.45Å; C661-C664 PolarHBondContact O-N 2.99Å; C661-C664 WeakPolarHBondContact SG-CB 3.09Å; C661-C664 PolarHBondContact SG-N 3.19Å; C661-C664 CovalentContact SG-SG 2.04Å; C661-C664 PolarHBondContact SG-SG 3.38Å; C664-R666 PolarHBondContact O-N 3.27Å; C664-R666 VanDerWaalsContact SG-CB 3.57Å; C664-H677 PolarHBondContact SG-NE2 3.49Å
665	G	74.8	Confident	77.4	Confident	55 Å²	55	64.9 Å²	64.9	57%	0.567	33%	0.33	S	S	*	.			trans	65.7	-10.6	-180	0	0	0	0	0	115.5	C661 G667	C661-G665 WeakPolarHBondContact O-CA 3.2Å; C661-G665 PolarHBondContact O-N 3.46Å; G665-G667 PolarHBondContact O-N 2.71Å
666	R	76.4	Confident	77.9	Confident	165 Å²	165	66.4 Å²	66.4	62%	0.623	33%	0.334	S	S	*	.			trans	-63.2	119.4	-173.5	-164.8	168.2	-173.9	148.8	1.8	110.5	C661 C664 F668	C661-R666 HydrophobicContact CB-CB 4.27Å; C661-R666 VanDerWaalsContact CB-O 3.3Å; C661-R666 WeakPolarHBondContact CB-O 3.41Å; C661-R666 PolarHBondContact N-O 3.27Å; C664-R666 PolarHBondContact O-N 3.27Å; C664-R666 VanDerWaalsContact SG-CB 3.57Å; R666-F668 HydrophobicContact CB-CE2 3.93Å; R666-F668 HydrophobicContact CB-CZ 4.23Å; R666-F668 HydrophobicContact CG-CE2 3.91Å; R666-F668 HydrophobicContact CG-CZ 3.8Å; R666-F668 VanDerWaalsContact O-CD2 3.24Å; R666-F668 WeakPolarHBondContact O-CD2 3.35Å; R666-F668 WeakPolarHBondContact O-CE2 3.34Å
667	G	77.8	Confident	78.3	Confident	16 Å²	16	63.6 Å²	63.6	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.8	179.2	0	0	0	0	0	113.3	K657 F659 L660 G665	K657-G667 WeakPolarHBondContact CD-O 3.45Å; F659-G667 WeakPolarHBondContact O-CA 3.18Å; L660-G667 VanDerWaalsContact CD2-CA 3.49Å; G665-G667 PolarHBondContact O-N 2.71Å
668	F	77.7	Confident	78.6	Confident	29 Å²	29	59 Å²	59	13%	0.127	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	-179.3	-61.3	-91.6	0	0	0	111.6	K657 F659 C661 R666 R670 N673 L674 H677	K657-F668 CarbonylContact C-O 3.28Å; K657-F668 WeakPolarHBondContact CA-O 3.37Å; F659-F668 PolarHBondContact N-O 3.49Å; F659-F668 PolarHBondContact O-N 3.3Å; C661-F668 HydrophobicContact CB-CE2 4.31Å; R666-F668 HydrophobicContact CB-CE2 3.93Å; R666-F668 HydrophobicContact CB-CZ 4.23Å; R666-F668 HydrophobicContact CG-CE2 3.91Å; R666-F668 HydrophobicContact CG-CZ 3.8Å; R666-F668 VanDerWaalsContact O-CD2 3.24Å; R666-F668 WeakPolarHBondContact O-CD2 3.35Å; R666-F668 WeakPolarHBondContact O-CE2 3.34Å; F668-R670 PolarHBondContact O-N 3.41Å; F668-N673 HydrophobicContact CB-CB 4.34Å; F668-N673 HydrophobicContact CD1-CB 3.91Å; F668-N673 HydrophobicContact CG-CB 4.45Å; F668-L674 HydrophobicContact CB-CB 4.15Å; F668-L674 HydrophobicContact CD2-CB 3.9Å; F668-L674 HydrophobicContact CD2-CD1 3.68Å; F668-L674 HydrophobicContact CD2-CG 4.33Å; F668-L674 HydrophobicContact CE2-CD1 3.82Å; F668-L674 HydrophobicContact CG-CB 4.12Å; F668-H677 HydrophobicContact CE1-CB 4Å; F668-H677 HydrophobicContact CE2-CB 4.17Å; F668-H677 AromaticContact CE2-CD2 3.38Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.48Å; F668-H677 AromaticContact CE2-CG 3.85Å; F668-H677 HydrophobicContact CZ-CB 3.58Å; F668-H677 AromaticContact CZ-CD2 3.31Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.49Å; F668-H677 AromaticContact CZ-CG 3.3Å; F668-H677 AromaticContact CZ-ND1 3.9Å; F668-H677 AromaticContact CZ-NE2 3.87Å
669	N	78.6	Confident	78.9	Confident	46 Å²	46	65.9 Å²	65.9	25%	0.246	33%	0.33	C	S	.	.	S	Bend	trans	-75.5	-8.8	178.7	-54.4	60	0	0	0	112.8	I651 E656	I651-N669 HydrophobicContact CG2-CB 3.92Å; I651-N669 PolarHBondContact O-ND2 2.89Å; E656-N669 PolarHBondContact O-ND2 3Å
670	R	77.6	Confident	79.2	Confident	114 Å²	114	69.1 Å²	69.1	43%	0.43	35%	0.353	S	S	.	.	S	Bend	trans	-143.6	143	-179	-70.8	178.6	65.8	164.4	-3	112	F668 D672 N673 L674	F668-R670 PolarHBondContact O-N 3.41Å; R670-D672 VanDerWaalsContact C-N 3.27Å; R670-D672 IonicContact CZ-OD2 3.17Å; R670-D672 IonicContact NE-OD2 2.83Å; R670-D672 PolarHBondContact NE-OD2 2.79Å; R670-D672 IonicContact NH2-OD2 2.7Å; R670-D672 PolarHBondContact NH2-OD2 2.86Å; R670-D672 PolarHBondContact O-N 2.86Å; R670-N673 HydrophobicContact CB-CB 4.34Å; R670-N673 PolarHBondContact O-N 3.09Å; R670-L674 PolarHBondContact O-N 2.9Å
671	V	77.9	Confident	79.2	Confident	57 Å²	57	71.2 Å²	71.2	35%	0.345	37%	0.367	S	S	.	.	H	α-helix	trans	-57.7	-40.2	171.2	-177.6	0	0	0	0	111.3	F659 N673 L674 R675	F659-V671 HydrophobicContact CD1-CG2 3.65Å; F659-V671 HydrophobicContact CD2-CG2 4.11Å; F659-V671 HydrophobicContact CE1-CG2 3.39Å; F659-V671 HydrophobicContact CE2-CG2 3.88Å; F659-V671 HydrophobicContact CG-CG2 4Å; F659-V671 HydrophobicContact CZ-CG2 3.52Å; V671-N673 VanDerWaalsContact C-N 3.32Å; V671-N673 PolarHBondContact O-N 3.14Å; V671-L674 PolarHBondContact O-N 3.26Å; V671-R675 WeakPolarHBondContact O-CB 3.32Å; V671-R675 PolarHBondContact O-N 3.25Å
672	D	79.6	Confident	79	Confident	85 Å²	85	72.8 Å²	72.8	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-43.7	-178.7	-37	-62.4	0	0	0	111.2	R670 R675 S676	R670-D672 VanDerWaalsContact C-N 3.27Å; R670-D672 IonicContact CZ-OD2 3.17Å; R670-D672 IonicContact NE-OD2 2.83Å; R670-D672 PolarHBondContact NE-OD2 2.79Å; R670-D672 IonicContact NH2-OD2 2.7Å; R670-D672 PolarHBondContact NH2-OD2 2.86Å; R670-D672 PolarHBondContact O-N 2.86Å; D672-R675 PolarHBondContact O-N 2.96Å; D672-S676 WeakPolarHBondContact O-CB 3.42Å; D672-S676 PolarHBondContact O-N 3.29Å; D672-S676 PolarHBondContact O-OG 3.2Å
673	N	82.1	Confident	78.9	Confident	79 Å²	79	78.2 Å²	78.2	42%	0.422	40%	0.398	S	S	.	.	H	α-helix	trans	-67	-40.8	179.1	-62.6	24.9	0	0	0	111	F668 R670 V671 H677	F668-N673 HydrophobicContact CB-CB 4.34Å; F668-N673 HydrophobicContact CD1-CB 3.91Å; F668-N673 HydrophobicContact CG-CB 4.45Å; R670-N673 HydrophobicContact CB-CB 4.34Å; R670-N673 PolarHBondContact O-N 3.09Å; V671-N673 VanDerWaalsContact C-N 3.32Å; V671-N673 PolarHBondContact O-N 3.14Å; N673-H677 VanDerWaalsContact O-CB 3.29Å; N673-H677 WeakPolarHBondContact O-CB 3.29Å; N673-H677 PolarHBondContact O-N 3.35Å
674	L	80.2	Confident	78.7	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-65	-43.7	173.9	175.4	58.1	0	0	0	111.4	F659 L660 C661 F668 R670 V671 H677 V678 M688	F659-L674 HydrophobicContact CB-CB 4.4Å; F659-L674 HydrophobicContact CB-CD2 3.7Å; L660-L674 WeakPolarHBondContact O-CD2 3.22Å; C661-L674 HydrophobicContact CB-CD1 3.85Å; F668-L674 HydrophobicContact CB-CB 4.15Å; F668-L674 HydrophobicContact CD2-CB 3.9Å; F668-L674 HydrophobicContact CD2-CD1 3.68Å; F668-L674 HydrophobicContact CD2-CG 4.33Å; F668-L674 HydrophobicContact CE2-CD1 3.82Å; F668-L674 HydrophobicContact CG-CB 4.12Å; R670-L674 PolarHBondContact O-N 2.9Å; V671-L674 PolarHBondContact O-N 3.26Å; L674-H677 PolarHBondContact O-N 3.4Å; L674-V678 HydrophobicContact CD1-CG2 3.87Å; L674-V678 HydrophobicContact CG-CG2 4.33Å; L674-V678 WeakPolarHBondContact O-CB 3.37Å; L674-V678 WeakPolarHBondContact O-CG2 3.09Å; L674-V678 PolarHBondContact O-N 2.98Å; L674-M688 HydrophobicContact CD2-CB 3.73Å; L674-M688 HydrophobicContact CD2-CG 3.62Å; L674-M688 HydrophobicContact CD2-SD 4.22Å; L674-M688 HydrophobicContact CG-CG 3.93Å; L674-M688 HydrophobicContact CG-SD 4.24Å
675	R	80.8	Confident	78	Confident	157 Å²	157	78.7 Å²	78.7	59%	0.592	41%	0.407	S	S	*	.	H	α-helix	trans	-63.2	-42.9	178.1	-178.9	171.9	-72.9	-116.5	-1.8	111.8	V671 D672 V678 K679	V671-R675 WeakPolarHBondContact O-CB 3.32Å; V671-R675 PolarHBondContact O-N 3.25Å; D672-R675 PolarHBondContact O-N 2.96Å; R675-V678 PolarHBondContact O-N 3.36Å; R675-K679 WeakPolarHBondContact O-CB 3.39Å; R675-K679 PolarHBondContact O-N 3.34Å
676	S	81.9	Confident	77.6	Confident	74 Å²	74	76.5 Å²	76.5	52%	0.517	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-44.5	172.5	-68.2	0	0	0	0	111.6	D672 K679 T680	D672-S676 WeakPolarHBondContact O-CB 3.42Å; D672-S676 PolarHBondContact O-N 3.29Å; D672-S676 PolarHBondContact O-OG 3.2Å; S676-K679 PolarHBondContact O-N 3.41Å; S676-T680 WeakPolarHBondContact O-CG2 3.46Å; S676-T680 PolarHBondContact O-N 3.35Å; S676-T680 PolarHBondContact O-OG1 2.73Å; S676-T680 VanDerWaalsContact O-OG1 3.08Å
677	H	82.5	Confident	77	Confident	22 Å²	22	69.2 Å²	69.2	10%	0.102	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-42.6	176.8	171.5	65.9	0	0	0	113.3	C664 F668 N673 L674 K679 T680 V681	C664-H677 PolarHBondContact SG-NE2 3.49Å; F668-H677 HydrophobicContact CE1-CB 4Å; F668-H677 HydrophobicContact CE2-CB 4.17Å; F668-H677 AromaticContact CE2-CD2 3.38Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.48Å; F668-H677 AromaticContact CE2-CG 3.85Å; F668-H677 HydrophobicContact CZ-CB 3.58Å; F668-H677 AromaticContact CZ-CD2 3.31Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.49Å; F668-H677 AromaticContact CZ-CG 3.3Å; F668-H677 AromaticContact CZ-ND1 3.9Å; F668-H677 AromaticContact CZ-NE2 3.87Å; N673-H677 VanDerWaalsContact O-CB 3.29Å; N673-H677 WeakPolarHBondContact O-CB 3.29Å; N673-H677 PolarHBondContact O-N 3.35Å; L674-H677 PolarHBondContact O-N 3.4Å; H677-K679 VanDerWaalsContact C-N 3.28Å; H677-K679 PolarHBondContact O-N 2.91Å; H677-T680 PolarHBondContact O-N 2.88Å; H677-V681 VanDerWaalsContact ND1-CG2 3.33Å; H677-V681 WeakPolarHBondContact ND1-CG2 2.93Å; H677-V681 WeakPolarHBondContact O-CB 3.32Å; H677-V681 PolarHBondContact O-N 3.07Å
678	V	82.3	Confident	76.7	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.067	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-38.2	173	165.2	0	0	0	0	110.7	L674 R675 H682 H683 G684 A686	L674-V678 HydrophobicContact CD1-CG2 3.87Å; L674-V678 HydrophobicContact CG-CG2 4.33Å; L674-V678 WeakPolarHBondContact O-CB 3.37Å; L674-V678 WeakPolarHBondContact O-CG2 3.09Å; L674-V678 PolarHBondContact O-N 2.98Å; R675-V678 PolarHBondContact O-N 3.36Å; V678-H682 CarbonylContact O-C 3.58Å; V678-H682 WeakPolarHBondContact O-CA 3.26Å; V678-H682 WeakPolarHBondContact O-CB 3.37Å; V678-H682 PolarHBondContact O-N 3.31Å; V678-H683 PolarHBondContact O-N 2.9Å; V678-H683 VanDerWaalsContact O-N 3.1Å; V678-G684 PolarHBondContact O-N 3.37Å; V678-A686 HydrophobicContact CG1-CB 4.13Å; V678-A686 WeakPolarHBondContact CG1-O 3.44Å; V678-A686 HydrophobicContact CG2-CB 4.16Å
679	K	80.8	Confident	76.2	Confident	162 Å²	162	71.1 Å²	71.1	70%	0.704	37%	0.365	S	S	*	.	H	α-helix	trans	-68.4	-43.8	175.7	-166.2	176.8	-177.9	-177.5	0	112.6	R675 S676 H677 H683	R675-K679 WeakPolarHBondContact O-CB 3.39Å; R675-K679 PolarHBondContact O-N 3.34Å; S676-K679 PolarHBondContact O-N 3.41Å; H677-K679 VanDerWaalsContact C-N 3.28Å; H677-K679 PolarHBondContact O-N 2.91Å; K679-H683 WeakPolarHBondContact O-CA 3.46Å; K679-H683 PolarHBondContact O-N 2.9Å
680	T	83.4	Confident	75.6	Confident	102 Å²	102	75.2 Å²	75.2	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-87.4	-35.3	-173.9	57	0	0	0	0	114.9	S676 H677	S676-T680 WeakPolarHBondContact O-CG2 3.46Å; S676-T680 PolarHBondContact O-N 3.35Å; S676-T680 PolarHBondContact O-OG1 2.73Å; S676-T680 VanDerWaalsContact O-OG1 3.08Å; H677-T680 PolarHBondContact O-N 2.88Å
681	V	80.1	Confident	74.7	Confident	81 Å²	81	72.3 Å²	72.3	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-100.6	-27.1	-176.1	-177	0	0	0	0	112.1	H677	H677-V681 VanDerWaalsContact ND1-CG2 3.33Å; H677-V681 WeakPolarHBondContact ND1-CG2 2.93Å; H677-V681 WeakPolarHBondContact O-CB 3.32Å; H677-V681 PolarHBondContact O-N 3.07Å
682	H	77.4	Confident	73.2	Confident	36 Å²	36	73 Å²	73	17%	0.167	37%	0.374	C	S	.	.	S	Bend	trans	-117.1	7.9	-179.5	-63.1	-37.1	0	0	0	114.1	C661 V678 G684 K685 A686	C661-H682 PolarHBondContact SG-NE2 3.11Å; V678-H682 CarbonylContact O-C 3.58Å; V678-H682 WeakPolarHBondContact O-CA 3.26Å; V678-H682 WeakPolarHBondContact O-CB 3.37Å; V678-H682 PolarHBondContact O-N 3.31Å; H682-G684 PolarHBondContact O-N 3.37Å; H682-G684 VanDerWaalsContact O-N 3.13Å; H682-K685 WeakPolarHBondContact O-CB 3.37Å; H682-K685 PolarHBondContact O-N 2.71Å; H682-A686 HydrophobicContact CB-CB 3.8Å
683	H	76.4	Confident	71.4	Confident	151 Å²	151	75.1 Å²	75.1	70%	0.699	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.4	176.8	-59.8	78.1	0	0	0	112.8	V678 K679 K685	V678-H683 PolarHBondContact O-N 2.9Å; V678-H683 VanDerWaalsContact O-N 3.1Å; K679-H683 WeakPolarHBondContact O-CA 3.46Å; K679-H683 PolarHBondContact O-N 2.9Å; H683-K685 VanDerWaalsContact C-N 3.26Å; H683-K685 PolarHBondContact O-N 3.21Å
684	G	67.1	Low	69.1	Low	49 Å²	49	77.8 Å²	77.8	51%	0.505	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-14.2	-175.6	0	0	0	0	0	115.5	V678 H682 A686	V678-G684 PolarHBondContact O-N 3.37Å; H682-G684 PolarHBondContact O-N 3.37Å; H682-G684 VanDerWaalsContact O-N 3.13Å; G684-A686 VanDerWaalsContact C-N 3.28Å; G684-A686 PolarHBondContact O-N 3.23Å
685	K	62.8	Low	66.7	Low	160 Å²	160	81.2 Å²	81.2	70%	0.696	44%	0.439	S	S	*	.			trans	-83.8	39.2	-169	-54.6	-177.4	179.8	-177.8	0	114.1	K663 H682 H683	K663-K685 WeakPolarHBondContact CD-O 3.33Å; K663-K685 WeakPolarHBondContact CE-O 3.33Å; K663-K685 PolarHBondContact NZ-O 2.96Å; H682-K685 WeakPolarHBondContact O-CB 3.37Å; H682-K685 PolarHBondContact O-N 2.71Å; H683-K685 VanDerWaalsContact C-N 3.26Å; H683-K685 PolarHBondContact O-N 3.21Å
686	A	66.5	Low	64.6	Low	10 Å²	10	77 Å²	77	8%	0.083	45%	0.445	C	S	.	.			trans	-145.8	140	-179.5	0	0	0	0	0	113.7	K663 V678 H682 G684	K663-A686 HydrophobicContact CB-CB 4.26Å; K663-A686 HydrophobicContact CD-CB 4.06Å; K663-A686 HydrophobicContact CG-CB 3.99Å; V678-A686 HydrophobicContact CG1-CB 4.13Å; V678-A686 WeakPolarHBondContact CG1-O 3.44Å; V678-A686 HydrophobicContact CG2-CB 4.16Å; H682-A686 HydrophobicContact CB-CB 3.8Å; G684-A686 VanDerWaalsContact C-N 3.28Å; G684-A686 PolarHBondContact O-N 3.23Å
687	G	63.2	Low	62.2	Low	11 Å²	11	79.8 Å²	79.8	11%	0.113	46%	0.458	C	S	.	.			trans	-75.4	180	175.1	0	0	0	0	0	114.4	D662	D662-G687 WeakPolarHBondContact CB-O 3.35Å; D662-G687 PolarHBondContact N-O 2.94Å; D662-G687 WeakPolarHBondContact OD2-CA 3.02Å
688	M	71.3	Confident	59.6	Low	30 Å²	30	85.2 Å²	85.2	15%	0.148	49%	0.487	C	S	.	.			trans	-139.2	72.2	-169.8	-64.7	-177.4	-75.9	0	0	112.7	D662 L674 R690 V719	D662-M688 PolarHBondContact OD1-N 2.94Å; L674-M688 HydrophobicContact CD2-CB 3.73Å; L674-M688 HydrophobicContact CD2-CG 3.62Å; L674-M688 HydrophobicContact CD2-SD 4.22Å; L674-M688 HydrophobicContact CG-CG 3.93Å; L674-M688 HydrophobicContact CG-SD 4.24Å; M688-R690 PolarHBondContact O-N 3.09Å; M688-V719 CarbonylContact C-O 3.53Å
689	K	67.6	Low	57.1	Low	56 Å²	56	94 Å²	94	24%	0.243	53%	0.527	C	S	.	.			trans	-47.3	132.7	170.4	-82.5	151.4	-157.3	171.4	0	111.9	L660 D662 I716 T718	L660-K689 HydrophobicContact CB-CB 4.11Å; L660-K689 PolarHBondContact N-O 3.14Å; L660-K689 PolarHBondContact O-N 3.36Å; D662-K689 VanDerWaalsContact OD1-CB 3.31Å; D662-K689 WeakPolarHBondContact OD1-CB 3.39Å; D662-K689 WeakPolarHBondContact OD1-CD 3.49Å; D662-K689 WeakPolarHBondContact OD1-CE 3.46Å; D662-K689 WeakPolarHBondContact OD1-CG 3.49Å; D662-K689 PolarHBondContact OD1-N 3.47Å; D662-K689 WeakPolarHBondContact OD2-CE 3.28Å; K689-I716 HydrophobicContact CD-CG2 4.33Å; K689-I716 HydrophobicContact CG-CG2 4.19Å; K689-T718 HydrophobicContact CD-CG2 4.27Å; K689-T718 HydrophobicContact CG-CG2 4.05Å
690	R	67.3	Low	54.7	Low	132 Å²	132	95 Å²	95	50%	0.498	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	172.8	-172.4	179.3	178	-177.4	-2.5	110.3	P658 F659 M688 V692 V717	P658-R690 CarbonylContact O-C 3.17Å; P658-R690 VanDerWaalsContact O-CA 3.3Å; P658-R690 WeakPolarHBondContact O-CA 3.22Å; F659-R690 HydrophobicContact CD1-CG 4.25Å; F659-R690 HydrophobicContact CE1-CG 4.1Å; M688-R690 PolarHBondContact O-N 3.09Å; R690-V692 HydrophobicContact CG-CG2 4.39Å; R690-V692 PolarHBondContact O-N 3.04Å; R690-V717 PolarHBondContact N-O 3.03Å
691	L	58.5	Low	52.1	Low	52 Å²	52	97.1 Å²	97.1	27%	0.272	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.2	165.8	-65.6	175.2	0	0	0	108.8	P658 L660 I714 I716	P658-L691 PolarHBondContact O-N 3.47Å; L660-L691 HydrophobicContact CD1-CD1 4.12Å; L660-L691 HydrophobicContact CD1-CD2 4.05Å; L660-L691 HydrophobicContact CD1-CG 3.99Å; L660-L691 HydrophobicContact CD2-CD1 4.26Å; L660-L691 HydrophobicContact CG-CD1 4.24Å; L660-L691 HydrophobicContact CG-CG 4.17Å; L691-I714 HydrophobicContact CD2-CG2 4.24Å; L691-I716 HydrophobicContact CD2-CG1 4.18Å
692	V	45.9	Very low	49.7	Very low	73 Å²	73	97.3 Å²	97.3	44%	0.442	56%	0.557	S	S	.	*			trans	-110.4	92.2	171.9	-178.6	0	0	0	0	107.4	R690 T694 V717	R690-V692 HydrophobicContact CG-CG2 4.39Å; R690-V692 PolarHBondContact O-N 3.04Å; V692-T694 PolarHBondContact O-N 3.37Å; V692-V717 HydrophobicContact CG2-CG2 4.24Å
693	L	40.8	Very low	47.2	Very low	128 Å²	128	103 Å²	103	67%	0.67	59%	0.589	S	S	*	*			trans	-67.5	117.6	166.4	-67.3	172.1	0	0	0	108	G695	L693-G695 PolarHBondContact O-N 2.91Å
694	T	33.6	Very low	44.8	Very low	136 Å²	136	102.4 Å²	102.4	83%	0.834	59%	0.591	S	S	*	*			trans	-78.2	58.8	175.9	46.2	0	0	0	0	111.1	V692 G696	V692-T694 PolarHBondContact O-N 3.37Å; T694-G696 PolarHBondContact O-N 3.44Å
695	G	31.4	Very low	42.8	Very low	72 Å²	72	105.9 Å²	105.9	74%	0.742	61%	0.606	S	S	*	*			trans	-71.3	93.9	178	0	0	0	0	0	112.1	L693	L693-G695 PolarHBondContact O-N 2.91Å
696	G	36.4	Very low	41.1	Very low	70 Å²	70	103 Å²	103	72%	0.722	61%	0.612	S	S	*	*			trans	-96	124.1	160.3	0	0	0	0	0	109.9	T694	T694-G696 PolarHBondContact O-N 3.44Å
697	T	30.4	Very low	39.2	Very low	131 Å²	131	112.2 Å²	112.2	80%	0.804	65%	0.654	S	S	*	*			trans	178.7	149.7	178.9	9.1	0	0	0	0	107.5
698	I	29.5	Very low	37.5	Very low	136 Å²	136	116.6 Å²	116.6	70%	0.697	69%	0.689	S	S	*	*			cis	-136.8	139.7	-0.5	-47.6	174.2	0	0	0	108	E700	I698-E700 HydrophobicContact CG2-CG 4.14Å
699	E	28	Very low	35.4	Very low	196 Å²	196	119.1 Å²	119.1	92%	0.916	72%	0.722	S	S	*	*			trans	-130.7	150.8	134.8	-84.7	-169	166.1	0	0	106.8
700	E	32.1	Very low	33.5	Very low	182 Å²	182	122.3 Å²	122.3	85%	0.85	75%	0.752	S	S	*	*			trans	-94.6	133.2	-160.2	-59.7	176.5	140.8	0	0	113.9	I698	I698-E700 HydrophobicContact CG2-CG 4.14Å
701	V	28.2	Very low	31.7	Very low	148 Å²	148	121 Å²	121	90%	0.897	76%	0.763	S	S	*	*			trans	-156.7	133.5	149.1	-103	0	0	0	0	109.4
702	A	30.1	Very low	30.4	Very low	85 Å²	85	126.1 Å²	126.1	70%	0.702	79%	0.79	S	S	*	*			trans	-86.9	152.2	159.6	0	0	0	0	0	108
703	D	25	Very low	29.7	Very low	154 Å²	154	129.4 Å²	129.4	82%	0.824	80%	0.801	S	S	*	*				-167.3	168.7	58.2	-128.6	-32.1	0	0	0	114.3
704	D	25	Very low	29.4	Very low	140 Å²	140	129.2 Å²	129.2	75%	0.749	80%	0.799	S	S	*	*			trans	72.2	150.1	151.8	-127.7	-33.1	0	0	0	124
705	C	25.4	Very low	29.3	Very low	122 Å²	122	129 Å²	129	82%	0.824	79%	0.787	S	S	*	*			trans	70.5	142.5	164.4	-68.2	0	0	0	0	120
706	A	27.9	Very low	29.6	Very low	100 Å²	100	130 Å²	130	83%	0.826	77%	0.774	S	S	*	*			trans	-139.7	142.4	-173.3	0	0	0	0	0	112.4
707	E	25.5	Very low	29.6	Very low	203 Å²	203	129.7 Å²	129.7	95%	0.949	76%	0.758	S	S	*	*			trans	-158.1	176.9	137.9	-122.9	178.7	-174.6	0	0	110.7
708	A	27.9	Very low	29.9	Very low	103 Å²	103	127 Å²	127	85%	0.851	74%	0.742	S	S	*	*			trans	-102.7	148.6	-151.9	0	0	0	0	0	116.6
709	G	27.4	Very low	30.5	Very low	82 Å²	82	122 Å²	122	85%	0.845	72%	0.718	S	S	*	*			trans	111.5	81.5	133.6	0	0	0	0	0	119.1
710	S	27.1	Very low	30.9	Very low	124 Å²	124	115 Å²	115	87%	0.867	69%	0.688	S	S	*	*			trans	-152.1	144.9	143.8	61.7	0	0	0	0	110.6
711	S	29.9	Very low	31.3	Very low	105 Å²	105	110.3 Å²	110.3	73%	0.734	67%	0.672	S	S	*	*			trans	-63.7	135.9	-175.9	50.3	0	0	0	0	114.2	E713	S711-E713 PolarHBondContact O-N 3.12Å; S711-E713 VanDerWaalsContact O-N 3.1Å
712	D	29.8	Very low	32	Very low	159 Å²	159	108.1 Å²	108.1	85%	0.85	65%	0.652	S	S	*	*			trans	-60.7	107.7	159.6	-81.1	-46.6	0	0	0	110.1	I714	D712-I714 PolarHBondContact O-N 3.41Å
713	E	31.6	Very low	32.3	Very low	141 Å²	141	108.2 Å²	108.2	66%	0.659	64%	0.64	S	S	*	*			trans	-68.8	97.4	172.6	-76.1	-163.3	133.6	0	0	110.6	S711 K715	S711-E713 PolarHBondContact O-N 3.12Å; S711-E713 VanDerWaalsContact O-N 3.1Å; E713-K715 VanDerWaalsContact C-N 3.34Å; E713-K715 HydrophobicContact CB-CG 4.42Å; E713-K715 PolarHBondContact O-N 3.34Å; E713-K715 WeakPolarHBondContact OE2-CE 3.36Å; E713-K715 IonicContact OE2-NZ 2.85Å; E713-K715 PolarHBondContact OE2-NZ 3.34Å
714	I	34.6	Very low	33.1	Very low	125 Å²	125	106.3 Å²	106.3	64%	0.641	63%	0.629	S	S	*	*			trans	-65.1	94.7	166.6	-56.9	176.3	0	0	0	108.4	L691 D712 I716	L691-I714 HydrophobicContact CD2-CG2 4.24Å; D712-I714 PolarHBondContact O-N 3.41Å; I714-I716 HydrophobicContact CG2-CG1 4.36Å; I714-I716 PolarHBondContact O-N 3.37Å
715	K	32.3	Very low	33.5	Very low	132 Å²	132	102 Å²	102	57%	0.574	61%	0.608	S	S	*	*			trans	-73.3	89.5	178.6	-73.3	-178.7	179.2	173.4	0	110.7	E713 V717	E713-K715 VanDerWaalsContact C-N 3.34Å; E713-K715 HydrophobicContact CB-CG 4.42Å; E713-K715 PolarHBondContact O-N 3.34Å; E713-K715 WeakPolarHBondContact OE2-CE 3.36Å; E713-K715 IonicContact OE2-NZ 2.85Å; E713-K715 PolarHBondContact OE2-NZ 3.34Å; K715-V717 PolarHBondContact O-N 3.21Å
716	I	37.2	Very low	33.8	Very low	91 Å²	91	100.7 Å²	100.7	47%	0.467	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.9	96.6	169.6	-57.3	173.4	0	0	0	107.8	K689 L691 I714 T718	K689-I716 HydrophobicContact CD-CG2 4.33Å; K689-I716 HydrophobicContact CG-CG2 4.19Å; L691-I716 HydrophobicContact CD2-CG1 4.18Å; I714-I716 HydrophobicContact CG2-CG1 4.36Å; I714-I716 PolarHBondContact O-N 3.37Å; I716-T718 HydrophobicContact CG2-CG2 4.22Å; I716-T718 PolarHBondContact O-N 3.35Å; I716-T718 VanDerWaalsContact O-N 3.14Å
717	V	37.5	Very low	34.2	Very low	64 Å²	64	103 Å²	103	39%	0.388	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.8	106	171.9	-173.5	0	0	0	0	108	R690 V692 K715 V719	R690-V717 PolarHBondContact N-O 3.03Å; V692-V717 HydrophobicContact CG2-CG2 4.24Å; K715-V717 PolarHBondContact O-N 3.21Å; V717-V719 HydrophobicContact CG1-CG2 3.84Å; V717-V719 PolarHBondContact O-N 3.27Å
718	T	36.3	Very low	34.6	Very low	76 Å²	76	97.5 Å²	97.5	47%	0.466	57%	0.574	S	S	.	*			trans	-77	71.3	177.4	56.9	0	0	0	0	110.6	K689 I716 T720	K689-T718 HydrophobicContact CD-CG2 4.27Å; K689-T718 HydrophobicContact CG-CG2 4.05Å; I716-T718 HydrophobicContact CG2-CG2 4.22Å; I716-T718 PolarHBondContact O-N 3.35Å; I716-T718 VanDerWaalsContact O-N 3.14Å; T718-T720 PolarHBondContact O-N 3.15Å
719	V	40.8	Very low	35	Very low	31 Å²	31	97.5 Å²	97.5	19%	0.188	56%	0.564	C	S	.	*			trans	-64.6	90	168.6	-176.8	0	0	0	0	108	M688 V717 D723 I724	M688-V719 CarbonylContact C-O 3.53Å; V717-V719 HydrophobicContact CG1-CG2 3.84Å; V717-V719 PolarHBondContact O-N 3.27Å; V719-D723 HydrophobicContact CB-CB 4.43Å; V719-D723 HydrophobicContact CG1-CB 3.93Å; V719-I724 HydrophobicContact CG1-CD1 4.17Å; V719-I724 HydrophobicContact CG1-CG1 3.7Å
720	T	36.5	Very low	35.2	Very low	47 Å²	47	101.2 Å²	101.2	29%	0.288	56%	0.559	S	S	.	*			trans	-64.7	173.7	165.4	61.6	0	0	0	0	109.1	T718 E722 D723	T718-T720 PolarHBondContact O-N 3.15Å; T720-E722 WeakPolarHBondContact CB-OE2 3.48Å; T720-E722 PolarHBondContact O-N 3.36Å; T720-E722 PolarHBondContact OG1-N 3.2Å; T720-E722 PolarHBondContact OG1-OE2 3.27Å; T720-D723 PolarHBondContact O-N 3.12Å; T720-D723 VanDerWaalsContact O-N 3.16Å
721	T	42.3	Very low	35.1	Very low	85 Å²	85	99.6 Å²	99.6	52%	0.521	55%	0.554	S	S	.	*	S	Bend	trans	-61.9	-25.6	171.8	35.5	0	0	0	0	112.4	V725	T721-V725 WeakPolarHBondContact O-CG2 3.42Å
722	E	41.8	Very low	35.1	Very low	102 Å²	102	103 Å²	103	48%	0.477	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-66.6	-37	172.9	-56.7	103.2	-172.1	0	0	112.2	T720 I724 V725 T726	T720-E722 WeakPolarHBondContact CB-OE2 3.48Å; T720-E722 PolarHBondContact O-N 3.36Å; T720-E722 PolarHBondContact OG1-N 3.2Å; T720-E722 PolarHBondContact OG1-OE2 3.27Å; E722-I724 PolarHBondContact O-N 3.49Å; E722-I724 VanDerWaalsContact O-N 3.13Å; E722-V725 CarbonylContact O-C 3.59Å; E722-V725 VanDerWaalsContact O-C 3.25Å; E722-V725 VanDerWaalsContact O-CA 3.23Å; E722-V725 WeakPolarHBondContact O-CA 3.41Å; E722-V725 WeakPolarHBondContact O-CB 3.48Å; E722-V725 PolarHBondContact O-N 3.05Å; E722-T726 WeakPolarHBondContact O-CG2 3.36Å; E722-T726 PolarHBondContact O-N 3.26Å
723	D	36.8	Very low	34.9	Very low	86 Å²	86	100.5 Å²	100.5	46%	0.46	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-76	-0.4	-174.8	-100.9	-12.4	0	0	0	115.6	V719 T720 T726	V719-D723 HydrophobicContact CB-CB 4.43Å; V719-D723 HydrophobicContact CG1-CB 3.93Å; T720-D723 PolarHBondContact O-N 3.12Å; T720-D723 VanDerWaalsContact O-N 3.16Å; D723-T726 WeakPolarHBondContact CA-OG1 3.29Å; D723-T726 PolarHBondContact OD1-OG1 2.73Å
724	I	41	Very low	34.8	Very low	114 Å²	114	97.7 Å²	97.7	59%	0.585	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-96.3	-17.9	162.7	-59.7	-179.6	0	0	0	110.6	V719 E722	V719-I724 HydrophobicContact CG1-CD1 4.17Å; V719-I724 HydrophobicContact CG1-CG1 3.7Å; E722-I724 PolarHBondContact O-N 3.49Å; E722-I724 VanDerWaalsContact O-N 3.13Å
725	V	34.4	Very low	34.6	Very low	50 Å²	50	97.4 Å²	97.4	30%	0.303	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103	-10.2	-176.5	178.8	0	0	0	0	112.2	T721 E722 L727 T728	T721-V725 WeakPolarHBondContact O-CG2 3.42Å; E722-V725 CarbonylContact O-C 3.59Å; E722-V725 VanDerWaalsContact O-C 3.25Å; E722-V725 VanDerWaalsContact O-CA 3.23Å; E722-V725 WeakPolarHBondContact O-CA 3.41Å; E722-V725 WeakPolarHBondContact O-CB 3.48Å; E722-V725 PolarHBondContact O-N 3.05Å; V725-L727 PolarHBondContact O-N 2.93Å; V725-T728 CarbonylContact O-C 3.48Å; V725-T728 VanDerWaalsContact O-C 3.28Å; V725-T728 WeakPolarHBondContact O-CA 3.43Å; V725-T728 PolarHBondContact O-N 3.42Å; V725-T728 PolarHBondContact O-OG1 3.08Å
726	T	32.3	Very low	34.3	Very low	95 Å²	95	95.5 Å²	95.5	58%	0.583	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	12.8	175.4	45.7	0	0	0	0	115	E722 D723	E722-T726 WeakPolarHBondContact O-CG2 3.36Å; E722-T726 PolarHBondContact O-N 3.26Å; D723-T726 WeakPolarHBondContact CA-OG1 3.29Å; D723-T726 PolarHBondContact OD1-OG1 2.73Å
727	L	35.8	Very low	34.3	Very low	147 Å²	147	98.8 Å²	98.8	77%	0.77	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	1.5	157.8	-80.2	177.5	0	0	0	113.7	V725	V725-L727 PolarHBondContact O-N 2.93Å
728	T	33.4	Very low	34.1	Very low	89 Å²	89	99.8 Å²	99.8	55%	0.546	63%	0.63	S	S	.	*	S	Bend	trans	-150.7	69	-176.9	48.2	0	0	0	0	112	V725	V725-T728 CarbonylContact O-C 3.48Å; V725-T728 VanDerWaalsContact O-C 3.28Å; V725-T728 WeakPolarHBondContact O-CA 3.43Å; V725-T728 PolarHBondContact O-N 3.42Å; V725-T728 PolarHBondContact O-OG1 3.08Å
729	T	37.1	Very low	33.9	Very low	102 Å²	102	105 Å²	105	63%	0.626	65%	0.649	S	S	*	*			trans	46.3	104.8	156	63.7	0	0	0	0	118.6	K787	T729-K787 PolarHBondContact OG1-NZ 3.16Å; T729-K787 VanDerWaalsContact OG1-NZ 3.16Å
730	E	30.5	Very low	33.2	Very low	160 Å²	160	111.8 Å²	111.8	75%	0.748	68%	0.683	S	S	*	*			trans	-148.6	130.3	158.5	-131.7	164.7	-107.8	0	0	113.1
731	A	25.6	Very low	32.7	Very low	91 Å²	91	115.3 Å²	115.3	75%	0.752	71%	0.705	S	S	*	*			trans	-160.2	144	162.7	0	0	0	0	0	107.4
732	L	29.6	Very low	32.1	Very low	176 Å²	176	118.3 Å²	118.3	92%	0.921	72%	0.723	S	S	*	*	S	Bend	trans	67.7	76.4	176.5	-54.1	176.1	0	0	0	117.6
733	A	26.2	Very low	31.4	Very low	106 Å²	106	120.3 Å²	120.3	88%	0.876	74%	0.736	S	S	*	*			trans	-152.2	31.6	154.6	0	0	0	0	0	113.3
734	G	28.2	Very low	31	Very low	83 Å²	83	121.5 Å²	121.5	86%	0.856	75%	0.749	S	S	*	*			trans	-99	31	-161.8	0	0	0	0	0	118.3
735	S	31.7	Very low	30.6	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	77%	0.767	S	S	*	*	S	Bend	trans	-160.7	60.6	-179.1	-173.7	0	0	0	0	116.8
736	A	26	Very low	30.4	Very low	93 Å²	93	126 Å²	126	77%	0.769	79%	0.791	S	S	*	*			trans	-159	36.5	168.2	0	0	0	0	0	115.9	A738	A736-A738 PolarHBondContact O-N 3.02Å
737	V	36.8	Very low	30.5	Very low	159 Å²	159	125.6 Å²	125.6	96%	0.964	80%	0.797	S	S	*	*			trans	-87.7	72.2	-178.1	-171.9	0	0	0	0	112.6
738	A	32.3	Very low	30.5	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	80%	0.801	S	S	*	*			trans	-175.1	123.3	155.6	0	0	0	0	0	106.8	A736	A736-A738 PolarHBondContact O-N 3.02Å
739	Q	32.3	Very low	30.8	Very low	186 Å²	186	125 Å²	125	87%	0.869	81%	0.805	S	S	*	*			cis	-141.5	149.1	20.9	-55.7	155.7	21.7	0	0	109.5
740	L	25.8	Very low	31.3	Very low	174 Å²	174	122.6 Å²	122.6	91%	0.911	79%	0.792	S	S	*	*			trans	-169.9	99.6	153.3	-109.6	166.5	0	0	0	108.9
741	T	27.3	Very low	32.1	Very low	121 Å²	121	118.3 Å²	118.3	74%	0.742	78%	0.784	S	S	*	*			trans	-76.1	139.3	171	36	0	0	0	0	110.3	L743	T741-L743 PolarHBondContact O-N 2.69Å
742	V	29.3	Very low	33.3	Very low	148 Å²	148	120.2 Å²	120.2	90%	0.897	78%	0.781	S	S	*	*			trans	-63.4	118.9	176.2	-179.6	0	0	0	0	109.8
743	L	26.1	Very low	34.5	Very low	144 Å²	144	117.3 Å²	117.3	75%	0.754	76%	0.763	S	S	*	*			trans	-105.8	150	165.7	-75.8	171.2	0	0	0	110	T741	T741-L743 PolarHBondContact O-N 2.69Å
744	P	28.9	Very low	35.5	Very low	111 Å²	111	115.6 Å²	115.6	72%	0.721	74%	0.742	S	S	*	*			trans	-66.2	152.6	176.6	-19.5	33.1	0	0	0	112.9	A746	P744-A746 VanDerWaalsContact C-N 3.27Å; P744-A746 PolarHBondContact O-N 2.88Å
745	V	33.4	Very low	37	Very low	160 Å²	160	116.6 Å²	116.6	97%	0.97	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	79.1	176.4	-174.7	0	0	0	0	110
746	A	29.8	Very low	38.3	Very low	97 Å²	97	113.9 Å²	113.9	80%	0.802	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.4	2.4	177.1	0	0	0	0	0	114	P744	P744-A746 VanDerWaalsContact C-N 3.27Å; P744-A746 PolarHBondContact O-N 2.88Å
747	A	34	Very low	39.5	Very low	87 Å²	87	114.4 Å²	114.4	72%	0.719	70%	0.698	S	S	*	*			trans	-114.5	127.1	177.1	0	0	0	0	0	110.5	V749	A747-V749 PolarHBondContact O-N 3.41Å
748	S	36.8	Very low	40.4	Very low	122 Å²	122	112 Å²	112	85%	0.853	68%	0.675	S	S	*	*			trans	-76.2	108.1	169.1	52.1	0	0	0	0	109.6
749	V	38.3	Very low	41.7	Very low	103 Å²	103	110.8 Å²	110.8	62%	0.624	67%	0.665	S	S	*	*			trans	-59.3	135	170.9	-175.9	0	0	0	0	109	A747 E753 T754	A747-V749 PolarHBondContact O-N 3.41Å; V749-E753 HydrophobicContact CG1-CB 3.93Å; V749-T754 HydrophobicContact CG1-CG2 3.9Å
750	S	47.5	Very low	43.1	Very low	50 Å²	50	108.6 Å²	108.6	35%	0.35	65%	0.654	S	S	.	*			trans	-72.6	152	-178.8	69.9	0	0	0	0	111.6	D752 E753 T754	S750-D752 PolarHBondContact O-N 3.47Å; S750-E753 VanDerWaalsContact CB-OE2 3.31Å; S750-E753 WeakPolarHBondContact CB-OE2 3.22Å; S750-E753 PolarHBondContact N-OE2 3.39Å; S750-E753 PolarHBondContact O-N 3.36Å; S750-E753 VanDerWaalsContact OG-CD 3.25Å; S750-E753 VanDerWaalsContact OG-CG 3.24Å; S750-E753 WeakPolarHBondContact OG-CG 3.34Å; S750-E753 PolarHBondContact OG-N 2.83Å; S750-E753 PolarHBondContact OG-OE2 3.43Å; S750-T754 PolarHBondContact O-N 3.42Å
751	A	48.7	Very low	44.5	Very low	70 Å²	70	104.5 Å²	104.5	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-58.9	-38.4	178.2	0	0	0	0	0	111.7	E753 T754 E755	A751-E753 PolarHBondContact O-N 3.33Å; A751-T754 PolarHBondContact O-N 2.98Å; A751-T754 VanDerWaalsContact O-N 3.12Å; A751-T754 PolarHBondContact O-OG1 3.16Å; A751-E755 PolarHBondContact O-N 3.36Å
752	D	50.9	Low	46	Very low	132 Å²	132	101.9 Å²	101.9	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-63.9	-38.8	-179.2	-60.1	-26.1	0	0	0	112.1	S750 T754 A756	S750-D752 PolarHBondContact O-N 3.47Å; D752-T754 VanDerWaalsContact C-N 3.35Å; D752-A756 VanDerWaalsContact O-CB 3.23Å; D752-A756 WeakPolarHBondContact O-CB 3.47Å; D752-A756 PolarHBondContact O-N 2.93Å
753	E	53.4	Low	48	Very low	114 Å²	114	102 Å²	102	53%	0.533	61%	0.605	S	S	.	*	H	α-helix	trans	-64.1	-38.9	173	-72.1	164.3	122.3	0	0	111.8	V749 S750 A751 A756 L757	V749-E753 HydrophobicContact CG1-CB 3.93Å; S750-E753 VanDerWaalsContact CB-OE2 3.31Å; S750-E753 WeakPolarHBondContact CB-OE2 3.22Å; S750-E753 PolarHBondContact N-OE2 3.39Å; S750-E753 PolarHBondContact O-N 3.36Å; S750-E753 VanDerWaalsContact OG-CD 3.25Å; S750-E753 VanDerWaalsContact OG-CG 3.24Å; S750-E753 WeakPolarHBondContact OG-CG 3.34Å; S750-E753 PolarHBondContact OG-N 2.83Å; S750-E753 PolarHBondContact OG-OE2 3.43Å; A751-E753 PolarHBondContact O-N 3.33Å; E753-A756 PolarHBondContact O-N 3.04Å; E753-L757 WeakPolarHBondContact O-CB 3.46Å; E753-L757 PolarHBondContact O-N 3.09Å
754	T	48.6	Very low	49.5	Very low	71 Å²	71	97.9 Å²	97.9	44%	0.436	59%	0.592	S	S	.	*	H	α-helix	trans	-71.3	-37.3	179.5	65.9	0	0	0	0	113	V749 S750 A751 D752 K758	V749-T754 HydrophobicContact CG1-CG2 3.9Å; S750-T754 PolarHBondContact O-N 3.42Å; A751-T754 PolarHBondContact O-N 2.98Å; A751-T754 VanDerWaalsContact O-N 3.12Å; A751-T754 PolarHBondContact O-OG1 3.16Å; D752-T754 VanDerWaalsContact C-N 3.35Å; T754-K758 VanDerWaalsContact O-CB 3.22Å; T754-K758 WeakPolarHBondContact O-CB 3.4Å; T754-K758 PolarHBondContact O-N 2.97Å
755	E	58.3	Low	50.9	Low	104 Å²	104	94.4 Å²	94.4	49%	0.486	57%	0.568	S	S	.	*	H	α-helix	trans	-74	-33.7	174.4	-74.1	-66.2	138.4	0	0	111.8	A751 K758 A759	A751-E755 PolarHBondContact O-N 3.36Å; E755-K758 PolarHBondContact O-N 3.18Å; E755-K758 WeakPolarHBondContact OE1-CD 3.3Å; E755-K758 IonicContact OE1-NZ 2.73Å; E755-K758 PolarHBondContact OE1-NZ 2.76Å; E755-K758 IonicContact OE2-NZ 2.7Å; E755-K758 PolarHBondContact OE2-NZ 2.91Å; E755-A759 WeakPolarHBondContact O-CB 3.46Å; E755-A759 PolarHBondContact O-N 3.46Å
756	A	60.8	Low	52.4	Low	60 Å²	60	92.3 Å²	92.3	50%	0.496	55%	0.548	S	S	.	.	H	α-helix	trans	-62.3	-48	171.9	0	0	0	0	0	111.9	D752 E753 K758 A759 E760	D752-A756 VanDerWaalsContact O-CB 3.23Å; D752-A756 WeakPolarHBondContact O-CB 3.47Å; D752-A756 PolarHBondContact O-N 2.93Å; E753-A756 PolarHBondContact O-N 3.04Å; A756-K758 VanDerWaalsContact C-N 3.33Å; A756-K758 PolarHBondContact O-N 3.38Å; A756-A759 PolarHBondContact O-N 3.27Å; A756-E760 PolarHBondContact O-N 3.37Å
757	L	50.8	Low	54.2	Low	105 Å²	105	93.3 Å²	93.3	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-61.6	-41.4	177	-166.8	77.4	0	0	0	111.6	E753 E760 I761	E753-L757 WeakPolarHBondContact O-CB 3.46Å; E753-L757 PolarHBondContact O-N 3.09Å; L757-E760 PolarHBondContact O-N 3.37Å; L757-I761 HydrophobicContact CD2-CD1 4.45Å; L757-I761 HydrophobicContact CG-CD1 4.11Å; L757-I761 VanDerWaalsContact O-CG1 3.27Å; L757-I761 WeakPolarHBondContact O-CG1 3.46Å; L757-I761 PolarHBondContact O-N 3.04Å
758	K	54.4	Low	55.4	Low	109 Å²	109	92.1 Å²	92.1	47%	0.474	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.5	174.5	-176.3	162.8	-145.9	0	112.6	T754 E755 A756 T762	T754-K758 VanDerWaalsContact O-CB 3.22Å; T754-K758 WeakPolarHBondContact O-CB 3.4Å; T754-K758 PolarHBondContact O-N 2.97Å; E755-K758 PolarHBondContact O-N 3.18Å; E755-K758 WeakPolarHBondContact OE1-CD 3.3Å; E755-K758 IonicContact OE1-NZ 2.73Å; E755-K758 PolarHBondContact OE1-NZ 2.76Å; E755-K758 IonicContact OE2-NZ 2.7Å; E755-K758 PolarHBondContact OE2-NZ 2.91Å; A756-K758 VanDerWaalsContact C-N 3.33Å; A756-K758 PolarHBondContact O-N 3.38Å; K758-T762 WeakPolarHBondContact O-CB 3.34Å; K758-T762 PolarHBondContact O-N 2.99Å; K758-T762 PolarHBondContact O-OG1 3.02Å
759	A	60.9	Low	56.3	Low	59 Å²	59	90 Å²	90	49%	0.488	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-39.9	173.8	0	0	0	0	0	111.8	E755 A756 T762 K763	E755-A759 WeakPolarHBondContact O-CB 3.46Å; E755-A759 PolarHBondContact O-N 3.46Å; A756-A759 PolarHBondContact O-N 3.27Å; A759-T762 PolarHBondContact O-N 3.49Å; A759-K763 VanDerWaalsContact O-CB 3.32Å; A759-K763 WeakPolarHBondContact O-CB 3.46Å; A759-K763 PolarHBondContact O-N 3.46Å
760	E	61.7	Low	57.5	Low	139 Å²	139	92.9 Å²	92.9	65%	0.65	50%	0.501	S	S	*	.	H	α-helix	trans	-66.6	-42.9	175.9	-172.8	164.3	-143.4	0	0	112.2	A756 L757 K763 A764	A756-E760 PolarHBondContact O-N 3.37Å; L757-E760 PolarHBondContact O-N 3.37Å; E760-K763 PolarHBondContact O-N 3.37Å; E760-A764 WeakPolarHBondContact O-CB 3.44Å; E760-A764 PolarHBondContact O-N 3.42Å
761	I	53.7	Low	58.4	Low	88 Å²	88	97 Å²	97	45%	0.451	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-46.1	173.5	-69	164.4	0	0	0	111	L757 K763 A764 V765	L757-I761 HydrophobicContact CD2-CD1 4.45Å; L757-I761 HydrophobicContact CG-CD1 4.11Å; L757-I761 VanDerWaalsContact O-CG1 3.27Å; L757-I761 WeakPolarHBondContact O-CG1 3.46Å; L757-I761 PolarHBondContact O-N 3.04Å; I761-K763 VanDerWaalsContact C-N 3.33Å; I761-K763 PolarHBondContact O-N 3.46Å; I761-A764 PolarHBondContact O-N 2.92Å; I761-V765 WeakPolarHBondContact O-CG2 3.47Å; I761-V765 PolarHBondContact O-N 3.22Å
762	T	60.6	Low	58.3	Low	67 Å²	67	97.6 Å²	97.6	41%	0.411	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-45.5	177.3	-55.3	0	0	0	0	111.1	K758 A759 A764 V765 E766	K758-T762 WeakPolarHBondContact O-CB 3.34Å; K758-T762 PolarHBondContact O-N 2.99Å; K758-T762 PolarHBondContact O-OG1 3.02Å; A759-T762 PolarHBondContact O-N 3.49Å; T762-A764 VanDerWaalsContact C-N 3.33Å; T762-A764 PolarHBondContact O-N 3.15Å; T762-V765 WeakPolarHBondContact O-CB 3.28Å; T762-V765 PolarHBondContact O-N 2.99Å; T762-E766 WeakPolarHBondContact O-CG 3.35Å; T762-E766 PolarHBondContact O-N 3.07Å
763	K	69.6	Low	58.5	Low	151 Å²	151	96.2 Å²	96.2	66%	0.657	51%	0.506	S	S	*	.	H	α-helix	trans	-65.3	-33.1	178.3	-172.7	178.4	-177.6	-179.3	0	113.2	A759 E760 I761 K767	A759-K763 VanDerWaalsContact O-CB 3.32Å; A759-K763 WeakPolarHBondContact O-CB 3.46Å; A759-K763 PolarHBondContact O-N 3.46Å; E760-K763 PolarHBondContact O-N 3.37Å; I761-K763 VanDerWaalsContact C-N 3.33Å; I761-K763 PolarHBondContact O-N 3.46Å; K763-K767 WeakPolarHBondContact O-CB 3.47Å; K763-K767 PolarHBondContact O-N 3.13Å
764	A	58.2	Low	58.3	Low	57 Å²	57	98 Å²	98	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-69.6	-40.1	172.8	0	0	0	0	0	111.8	E760 I761 T762 V768	E760-A764 WeakPolarHBondContact O-CB 3.44Å; E760-A764 PolarHBondContact O-N 3.42Å; I761-A764 PolarHBondContact O-N 2.92Å; T762-A764 VanDerWaalsContact C-N 3.33Å; T762-A764 PolarHBondContact O-N 3.15Å; A764-V768 WeakPolarHBondContact O-CG2 3.43Å; A764-V768 PolarHBondContact O-N 3.32Å; A764-V768 VanDerWaalsContact O-N 3.12Å
765	V	59	Low	58.6	Low	37 Å²	37	97.4 Å²	97.4	22%	0.224	52%	0.516	C	S	.	.	H	α-helix	trans	-61.6	-49.7	173.8	161.6	0	0	0	0	111.3	I761 T762 K767 V768 Q769 I777	I761-V765 WeakPolarHBondContact O-CG2 3.47Å; I761-V765 PolarHBondContact O-N 3.22Å; T762-V765 WeakPolarHBondContact O-CB 3.28Å; T762-V765 PolarHBondContact O-N 2.99Å; V765-K767 VanDerWaalsContact C-N 3.34Å; V765-K767 PolarHBondContact O-N 2.99Å; V765-V768 PolarHBondContact O-N 3.03Å; V765-Q769 PolarHBondContact O-N 3.35Å; V765-I777 HydrophobicContact CB-CD1 4.2Å; V765-I777 HydrophobicContact CG1-CD1 4.06Å; V765-I777 HydrophobicContact CG2-CD1 3.9Å
766	E	64.4	Low	58.5	Low	117 Å²	117	99.7 Å²	99.7	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-56.5	-47.3	177.4	-73.2	175.3	151.3	0	0	111.4	T762 V768 Q769 E770	T762-E766 WeakPolarHBondContact O-CG 3.35Å; T762-E766 PolarHBondContact O-N 3.07Å; E766-V768 VanDerWaalsContact C-N 3.35Å; E766-V768 PolarHBondContact O-N 2.95Å; E766-Q769 CarbonylContact O-C 3.21Å; E766-Q769 WeakPolarHBondContact O-CB 3.49Å; E766-Q769 PolarHBondContact O-N 3.31Å; E766-Q769 VanDerWaalsContact O-N 3.08Å; E766-E770 PolarHBondContact O-N 3.09Å
767	K	67.2	Low	58.3	Low	117 Å²	117	99.2 Å²	99.2	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-36	179.6	-170.7	173	-175.3	-71.7	0	113.4	K763 V765 Q769 E770 E771	K763-K767 WeakPolarHBondContact O-CB 3.47Å; K763-K767 PolarHBondContact O-N 3.13Å; V765-K767 VanDerWaalsContact C-N 3.34Å; V765-K767 PolarHBondContact O-N 2.99Å; K767-Q769 VanDerWaalsContact C-N 3.34Å; K767-E770 PolarHBondContact O-N 3.18Å; K767-E771 IonicContact NZ-OE1 3.91Å; K767-E771 PolarHBondContact NZ-OE1 3.15Å; K767-E771 WeakPolarHBondContact O-CG 3.46Å; K767-E771 PolarHBondContact O-N 2.97Å; K767-E771 VanDerWaalsContact O-N 3.12Å
768	V	59.9	Low	58.5	Low	62 Å²	62	98.8 Å²	98.8	38%	0.376	51%	0.513	S	S	.	.	H	α-helix	trans	-68.4	-36.2	173.8	169.5	0	0	0	0	111.1	A764 V765 E766 E771 D772 T775 I777	A764-V768 WeakPolarHBondContact O-CG2 3.43Å; A764-V768 PolarHBondContact O-N 3.32Å; A764-V768 VanDerWaalsContact O-N 3.12Å; V765-V768 PolarHBondContact O-N 3.03Å; E766-V768 VanDerWaalsContact C-N 3.35Å; E766-V768 PolarHBondContact O-N 2.95Å; V768-E771 PolarHBondContact O-N 3.36Å; V768-D772 PolarHBondContact O-N 2.96Å; V768-T775 HydrophobicContact CG1-CG2 3.97Å; V768-I777 HydrophobicContact CB-CD1 4.26Å; V768-I777 HydrophobicContact CG1-CD1 4.04Å; V768-I777 HydrophobicContact CG1-CG1 4.48Å
769	Q	54.4	Low	58.9	Low	78 Å²	78	96.8 Å²	96.8	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-72.7	-28.6	176.8	-147.9	73.5	61.5	0	0	112.9	V765 E766 K767 P773 T775	V765-Q769 PolarHBondContact O-N 3.35Å; E766-Q769 CarbonylContact O-C 3.21Å; E766-Q769 WeakPolarHBondContact O-CB 3.49Å; E766-Q769 PolarHBondContact O-N 3.31Å; E766-Q769 VanDerWaalsContact O-N 3.08Å; K767-Q769 VanDerWaalsContact C-N 3.34Å; Q769-P773 PolarHBondContact NE2-O 3.27Å; Q769-P773 WeakPolarHBondContact O-CA 3.46Å; Q769-T775 PolarHBondContact NE2-O 2.77Å; Q769-T775 PolarHBondContact OE1-O 3.04Å
770	E	64.9	Low	58.9	Low	164 Å²	164	96.5 Å²	96.5	77%	0.766	50%	0.5	S	S	*	.	H	α-helix	trans	-72	-34.4	170.4	-73.3	-172.1	147.5	0	0	112.8	E766 K767	E766-E770 PolarHBondContact O-N 3.09Å; K767-E770 PolarHBondContact O-N 3.18Å
771	E	65.5	Low	58.9	Low	137 Å²	137	90.1 Å²	90.1	64%	0.64	47%	0.471	S	S	*	.	H	α-helix	trans	-79.3	-33.4	-178.1	-75.7	178.1	-166	0	0	113.6	K767 V768	K767-E771 IonicContact NZ-OE1 3.91Å; K767-E771 PolarHBondContact NZ-OE1 3.15Å; K767-E771 WeakPolarHBondContact O-CG 3.46Å; K767-E771 PolarHBondContact O-N 2.97Å; K767-E771 VanDerWaalsContact O-N 3.12Å; V768-E771 PolarHBondContact O-N 3.36Å
772	D	46.3	Very low	58.6	Low	82 Å²	82	94.1 Å²	94.1	44%	0.439	49%	0.493	S	S	.	.			trans	-148.4	110.3	163	-173.6	-22.8	0	0	0	111.5	V768 N774 T775	V768-D772 PolarHBondContact O-N 2.96Å; D772-N774 PolarHBondContact O-N 2.88Å; D772-N774 VanDerWaalsContact O-N 3.12Å; D772-N774 PolarHBondContact OD1-N 3.18Å; D772-T775 WeakPolarHBondContact O-CB 3.43Å; D772-T775 PolarHBondContact O-N 3.44Å; D772-T775 PolarHBondContact O-OG1 2.98Å
773	P	55.3	Low	58.2	Low	102 Å²	102	95.7 Å²	95.7	66%	0.662	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.7	-173.6	28.9	-36.3	0	0	0	114.5	Q769	Q769-P773 PolarHBondContact NE2-O 3.27Å; Q769-P773 WeakPolarHBondContact O-CA 3.46Å
774	N	50.5	Low	57.9	Low	153 Å²	153	91 Å²	91	82%	0.818	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.2	174.5	-92.8	-10.3	0	0	0	113.6	D772 Q776	D772-N774 PolarHBondContact O-N 2.88Å; D772-N774 VanDerWaalsContact O-N 3.12Å; D772-N774 PolarHBondContact OD1-N 3.18Å; N774-Q776 PolarHBondContact O-N 3.32Å
775	T	55.1	Low	58	Low	57 Å²	57	90.8 Å²	90.8	35%	0.35	50%	0.496	S	S	.	.			trans	-71.5	123.4	178.2	-60.1	0	0	0	0	110.6	V768 Q769 D772	V768-T775 HydrophobicContact CG1-CG2 3.97Å; Q769-T775 PolarHBondContact NE2-O 2.77Å; Q769-T775 PolarHBondContact OE1-O 3.04Å; D772-T775 WeakPolarHBondContact O-CB 3.43Å; D772-T775 PolarHBondContact O-N 3.44Å; D772-T775 PolarHBondContact O-OG1 2.98Å
776	Q	55	Low	58.1	Low	153 Å²	153	92.9 Å²	92.9	72%	0.715	51%	0.506	S	S	*	.			trans	-109.7	106.8	-179.4	-165.2	165.2	47	0	0	110.5	N774 L789	N774-Q776 PolarHBondContact O-N 3.32Å; Q776-L789 HydrophobicContact CG-CD2 3.85Å
777	I	57.3	Low	58.2	Low	50 Å²	50	93 Å²	93	26%	0.256	51%	0.505	S	S	.	.			trans	-75.2	132.5	-174.8	-59.1	-179.9	0	0	0	110.3	V765 V768	V765-I777 HydrophobicContact CB-CD1 4.2Å; V765-I777 HydrophobicContact CG1-CD1 4.06Å; V765-I777 HydrophobicContact CG2-CD1 3.9Å; V768-I777 HydrophobicContact CB-CD1 4.26Å; V768-I777 HydrophobicContact CG1-CD1 4.04Å; V768-I777 HydrophobicContact CG1-CG1 4.48Å
778	L	54	Low	58	Low	96 Å²	96	89.3 Å²	89.3	50%	0.503	49%	0.489	S	S	.	.			trans	-115.2	118.6	-179.7	-75	168.6	0	0	0	110.4	F788 L789	L778-F788 WeakPolarHBondContact CA-O 3.39Å; L778-L789 HydrophobicContact CD2-CD2 3.61Å; L778-L789 HydrophobicContact CD2-CG 3.99Å
779	Y	63.9	Low	58.3	Low	66 Å²	66	91.8 Å²	91.8	26%	0.259	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.6	175.1	-59.6	-91.1	0	0	0	109.7	K787 F788 A791	Y779-K787 CarbonylContact O-C 3.52Å; Y779-K787 WeakPolarHBondContact O-CA 3.49Å; Y779-F788 PolarHBondContact N-O 3.38Å; Y779-F788 PolarHBondContact O-N 3.12Å; Y779-A791 HydrophobicContact CD1-CB 4.18Å; Y779-A791 HydrophobicContact CE1-CB 3.97Å; Y779-A791 HydrophobicContact CE2-CB 4.34Å; Y779-A791 HydrophobicContact CG-CB 4.46Å
780	A	59.4	Low	58.6	Low	53 Å²	53	90.9 Å²	90.9	44%	0.438	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.3	-177.8	0	0	0	0	0	112.5	D786 K787 L794	A780-D786 WeakPolarHBondContact CA-O 3.2Å; A780-K787 HydrophobicContact CB-CG 4.45Å; A780-L794 WeakPolarHBondContact O-CD2 3.4Å
781	C	62	Low	58.2	Low	6 Å²	6	85.2 Å²	85.2	4%	0.041	48%	0.478	C	S	.	.			trans	-101.3	108.8	174.5	-178.7	0	0	0	0	110.8	S783 C784 G785 D786 F788 L794	C781-S783 PolarHBondContact O-N 2.99Å; C781-S783 VanDerWaalsContact O-N 3.09Å; C781-C784 VanDerWaalsContact CB-SG 3.51Å; C781-C784 PolarHBondContact O-N 3.29Å; C781-G785 WeakPolarHBondContact O-CA 3.49Å; C781-G785 PolarHBondContact O-N 2.87Å; C781-D786 PolarHBondContact N-O 3.47Å; C781-F788 HydrophobicContact CB-CE2 4.29Å; C781-L794 HydrophobicContact CB-CD1 3.56Å
782	D	48.8	Very low	57.9	Low	171 Å²	171	83.1 Å²	83.1	91%	0.914	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.1	-178.1	-83	4.4	0	0	0	114.4
783	S	51.9	Low	58.7	Low	100 Å²	100	81.9 Å²	81.9	70%	0.699	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.1	-178.6	-61.4	0	0	0	0	114.3	C781	C781-S783 PolarHBondContact O-N 2.99Å; C781-S783 VanDerWaalsContact O-N 3.09Å
784	C	63.1	Low	59	Low	54 Å²	54	78.5 Å²	78.5	37%	0.365	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-23.3	-174.3	65	0	0	0	0	114.9	C781 D786 H797	C781-C784 VanDerWaalsContact CB-SG 3.51Å; C781-C784 PolarHBondContact O-N 3.29Å; C784-D786 PolarHBondContact SG-N 3.22Å; C784-D786 VanDerWaalsContact SG-N 3.41Å; C784-H797 PolarHBondContact SG-NE2 3.34Å
785	G	60.4	Low	59.2	Low	51 Å²	51	73 Å²	73	53%	0.526	42%	0.424	S	S	.	.			trans	87.6	2.6	-176.1	0	0	0	0	0	115.7	C781	C781-G785 WeakPolarHBondContact O-CA 3.49Å; C781-G785 PolarHBondContact O-N 2.87Å
786	D	60	Low	59.4	Low	82 Å²	82	75.9 Å²	75.9	44%	0.439	43%	0.434	S	S	.	.			trans	-67.8	143.8	178.3	-71.9	-34.2	0	0	0	111.8	A780 C781 C784 F788 H797	A780-D786 WeakPolarHBondContact CA-O 3.2Å; C781-D786 PolarHBondContact N-O 3.47Å; C784-D786 PolarHBondContact SG-N 3.22Å; C784-D786 VanDerWaalsContact SG-N 3.41Å; D786-F788 HydrophobicContact CB-CE2 3.63Å; D786-F788 HydrophobicContact CB-CZ 3.64Å; D786-F788 WeakPolarHBondContact O-CE2 3.44Å; D786-H797 IonicContact OD2-CE1 3.54Å; D786-H797 PolarHBondContact OD2-CE1 3.36Å; D786-H797 IonicContact OD2-ND1 3.08Å; D786-H797 IonicContact OD2-NE2 2.73Å
787	K	66.6	Low	59.7	Low	120 Å²	120	70.4 Å²	70.4	52%	0.522	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.6	-176	-60.5	-177.6	-179	-177.9	0	111	T729 Y779 A780	T729-K787 PolarHBondContact OG1-NZ 3.16Å; T729-K787 VanDerWaalsContact OG1-NZ 3.16Å; Y779-K787 CarbonylContact O-C 3.52Å; Y779-K787 WeakPolarHBondContact O-CA 3.49Å; A780-K787 HydrophobicContact CB-CG 4.45Å
788	F	63.9	Low	59.8	Low	39 Å²	39	70.8 Å²	70.8	17%	0.171	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143	-173.1	-56.8	-87.1	0	0	0	110.8	L778 Y779 C781 D786 D790 L794 H797	L778-F788 WeakPolarHBondContact CA-O 3.39Å; Y779-F788 PolarHBondContact N-O 3.38Å; Y779-F788 PolarHBondContact O-N 3.12Å; C781-F788 HydrophobicContact CB-CE2 4.29Å; D786-F788 HydrophobicContact CB-CE2 3.63Å; D786-F788 HydrophobicContact CB-CZ 3.64Å; D786-F788 WeakPolarHBondContact O-CE2 3.44Å; F788-D790 PolarHBondContact O-N 2.73Å; F788-L794 HydrophobicContact CB-CB 4.21Å; F788-L794 HydrophobicContact CD2-CB 3.91Å; F788-L794 HydrophobicContact CD2-CD1 3.69Å; F788-L794 HydrophobicContact CD2-CG 4.38Å; F788-L794 HydrophobicContact CE2-CD1 3.82Å; F788-L794 HydrophobicContact CG-CB 4.13Å; F788-H797 HydrophobicContact CE1-CB 3.8Å; F788-H797 HydrophobicContact CE2-CB 4.13Å; F788-H797 AromaticContact CE2-CG 3.98Å; F788-H797 HydrophobicContact CZ-CB 3.48Å; F788-H797 VanDerWaalsContact CZ-CB 3.48Å; F788-H797 AromaticContact CZ-CD2 3.9Å; F788-H797 AromaticContact CZ-CG 3.33Å; F788-H797 AromaticContact CZ-ND1 3.5Å
789	L	65.3	Low	60.1	Low	114 Å²	114	73.2 Å²	73.2	60%	0.597	42%	0.415	S	S	*	.	S	Bend	trans	-79.4	-5.1	178.3	-72.3	161.7	0	0	0	113.6	Q776 L778	Q776-L789 HydrophobicContact CG-CD2 3.85Å; L778-L789 HydrophobicContact CD2-CD2 3.61Å; L778-L789 HydrophobicContact CD2-CG 3.99Å
790	D	61.5	Low	59.8	Low	58 Å²	58	74.1 Å²	74.1	31%	0.31	42%	0.424	S	S	.	.	S	Bend	trans	-152.9	142.2	-174.5	149.6	59.7	0	0	0	110.6	F788 T792 S793 L794	F788-D790 PolarHBondContact O-N 2.73Å; D790-T792 VanDerWaalsContact C-N 3.3Å; D790-T792 VanDerWaalsContact CG-N 3.27Å; D790-T792 PolarHBondContact O-N 3.03Å; D790-T792 WeakPolarHBondContact OD1-CB 3.27Å; D790-T792 PolarHBondContact OD1-N 3.31Å; D790-T792 PolarHBondContact OD1-OG1 3.41Å; D790-T792 WeakPolarHBondContact OD2-CA 3.21Å; D790-T792 WeakPolarHBondContact OD2-CB 3.3Å; D790-T792 PolarHBondContact OD2-N 2.82Å; D790-T792 PolarHBondContact OD2-OG1 2.79Å; D790-S793 WeakPolarHBondContact O-CB 3.43Å; D790-S793 PolarHBondContact O-N 3.24Å; D790-S793 PolarHBondContact OD2-N 3.47Å; D790-S793 PolarHBondContact OD2-OG 3.05Å; D790-L794 PolarHBondContact O-N 2.92Å; D790-L794 VanDerWaalsContact O-N 3.14Å
791	A	56.4	Low	59.9	Low	45 Å²	45	74.7 Å²	74.7	37%	0.372	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-31.8	178.9	0	0	0	0	0	112.7	Y779 S793 L794 A795	Y779-A791 HydrophobicContact CD1-CB 4.18Å; Y779-A791 HydrophobicContact CE1-CB 3.97Å; Y779-A791 HydrophobicContact CE2-CB 4.34Å; Y779-A791 HydrophobicContact CG-CB 4.46Å; A791-S793 VanDerWaalsContact C-N 3.33Å; A791-S793 PolarHBondContact O-N 3.21Å; A791-L794 PolarHBondContact O-N 3.23Å; A791-A795 WeakPolarHBondContact O-CB 3.39Å; A791-A795 PolarHBondContact O-N 2.91Å
792	T	59.6	Low	59.7	Low	94 Å²	94	78 Å²	78	58%	0.577	44%	0.437	S	S	*	.	H	α-helix	trans	-64.4	-40.5	177.3	-29.6	0	0	0	0	111.1	D790 A795 Q796	D790-T792 VanDerWaalsContact C-N 3.3Å; D790-T792 VanDerWaalsContact CG-N 3.27Å; D790-T792 PolarHBondContact O-N 3.03Å; D790-T792 WeakPolarHBondContact OD1-CB 3.27Å; D790-T792 PolarHBondContact OD1-N 3.31Å; D790-T792 PolarHBondContact OD1-OG1 3.41Å; D790-T792 WeakPolarHBondContact OD2-CA 3.21Å; D790-T792 WeakPolarHBondContact OD2-CB 3.3Å; D790-T792 PolarHBondContact OD2-N 2.82Å; D790-T792 PolarHBondContact OD2-OG1 2.79Å; T792-A795 PolarHBondContact O-N 2.94Å; T792-Q796 PolarHBondContact O-N 2.99Å
793	S	63.4	Low	59.7	Low	55 Å²	55	72.2 Å²	72.2	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-67.2	-43.8	175.1	-58.3	0	0	0	0	112.2	D790 A791 Q796 H797	D790-S793 WeakPolarHBondContact O-CB 3.43Å; D790-S793 PolarHBondContact O-N 3.24Å; D790-S793 PolarHBondContact OD2-N 3.47Å; D790-S793 PolarHBondContact OD2-OG 3.05Å; A791-S793 VanDerWaalsContact C-N 3.33Å; A791-S793 PolarHBondContact O-N 3.21Å; S793-Q796 PolarHBondContact O-N 3.2Å; S793-H797 PolarHBondContact O-N 3.41Å
794	L	62	Low	59.5	Low	31 Å²	31	73.1 Å²	73.1	16%	0.162	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-46.6	171.5	172.4	61.2	0	0	0	111.1	A780 C781 F788 D790 A791 Q796 H797 V798	A780-L794 WeakPolarHBondContact O-CD2 3.4Å; C781-L794 HydrophobicContact CB-CD1 3.56Å; F788-L794 HydrophobicContact CB-CB 4.21Å; F788-L794 HydrophobicContact CD2-CB 3.91Å; F788-L794 HydrophobicContact CD2-CD1 3.69Å; F788-L794 HydrophobicContact CD2-CG 4.38Å; F788-L794 HydrophobicContact CE2-CD1 3.82Å; F788-L794 HydrophobicContact CG-CB 4.13Å; D790-L794 PolarHBondContact O-N 2.92Å; D790-L794 VanDerWaalsContact O-N 3.14Å; A791-L794 PolarHBondContact O-N 3.23Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.43Å; L794-H797 PolarHBondContact O-N 3.14Å; L794-H797 VanDerWaalsContact O-N 3.13Å; L794-V798 HydrophobicContact CD1-CG2 3.79Å; L794-V798 HydrophobicContact CG-CG2 4.26Å; L794-V798 WeakPolarHBondContact O-CG2 3.47Å; L794-V798 PolarHBondContact O-N 3.21Å
795	A	54.3	Low	58.8	Low	37 Å²	37	72.5 Å²	72.5	31%	0.306	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-35.3	179.2	0	0	0	0	0	112.4	A791 T792 R799	A791-A795 WeakPolarHBondContact O-CB 3.39Å; A791-A795 PolarHBondContact O-N 2.91Å; T792-A795 PolarHBondContact O-N 2.94Å; A795-R799 WeakPolarHBondContact O-CB 3.4Å; A795-R799 VanDerWaalsContact O-CG 3.31Å; A795-R799 WeakPolarHBondContact O-CG 3.33Å; A795-R799 PolarHBondContact O-N 2.94Å; A795-R799 VanDerWaalsContact O-N 3.12Å; A795-R799 PolarHBondContact O-NE 3.35Å
796	Q	58.5	Low	58.2	Low	118 Å²	118	75.4 Å²	75.4	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-68.1	-43.4	172.4	-175.3	170.9	-4.7	0	0	112.1	T792 S793 L794 R799 I800	T792-Q796 PolarHBondContact O-N 2.99Å; S793-Q796 PolarHBondContact O-N 3.2Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.43Å; Q796-R799 PolarHBondContact O-N 2.86Å; Q796-I800 HydrophobicContact CG-CD1 4.1Å; Q796-I800 WeakPolarHBondContact O-CG1 3.42Å; Q796-I800 PolarHBondContact O-N 2.88Å
797	H	61.9	Low	57.7	Low	38 Å²	38	75.9 Å²	75.9	18%	0.176	41%	0.413	C	S	.	.	H	α-helix	trans	-60.9	-47.7	175	174.9	94.8	0	0	0	111.9	C784 D786 F788 S793 L794 R799 I800 H801	C784-H797 PolarHBondContact SG-NE2 3.34Å; D786-H797 IonicContact OD2-CE1 3.54Å; D786-H797 PolarHBondContact OD2-CE1 3.36Å; D786-H797 IonicContact OD2-ND1 3.08Å; D786-H797 IonicContact OD2-NE2 2.73Å; F788-H797 HydrophobicContact CE1-CB 3.8Å; F788-H797 HydrophobicContact CE2-CB 4.13Å; F788-H797 AromaticContact CE2-CG 3.98Å; F788-H797 HydrophobicContact CZ-CB 3.48Å; F788-H797 VanDerWaalsContact CZ-CB 3.48Å; F788-H797 AromaticContact CZ-CD2 3.9Å; F788-H797 AromaticContact CZ-CG 3.33Å; F788-H797 AromaticContact CZ-ND1 3.5Å; S793-H797 PolarHBondContact O-N 3.41Å; L794-H797 PolarHBondContact O-N 3.14Å; L794-H797 VanDerWaalsContact O-N 3.13Å; H797-R799 VanDerWaalsContact C-N 3.32Å; H797-R799 PolarHBondContact O-N 3.41Å; H797-I800 PolarHBondContact O-N 3.37Å; H797-I800 VanDerWaalsContact O-N 3.09Å; H797-H801 AromaticContact NE2-CD2 3.72Å; H797-H801 WeakPolarHBondContact O-CB 3.43Å; H797-H801 PolarHBondContact O-N 3.34Å
798	V	59.4	Low	56.5	Low	59 Å²	59	76.4 Å²	76.4	36%	0.358	42%	0.419	S	S	.	.	H	α-helix	trans	-59.5	-42	178.5	171.5	0	0	0	0	111.2	L794 I800 H801 T802	L794-V798 HydrophobicContact CD1-CG2 3.79Å; L794-V798 HydrophobicContact CG-CG2 4.26Å; L794-V798 WeakPolarHBondContact O-CG2 3.47Å; L794-V798 PolarHBondContact O-N 3.21Å; V798-I800 PolarHBondContact O-N 2.6Å; V798-H801 PolarHBondContact O-N 2.95Å; V798-T802 PolarHBondContact O-N 3.24Å; V798-T802 PolarHBondContact O-OG1 2.86Å; V798-T802 VanDerWaalsContact O-OG1 3.06Å
799	R	59.4	Low	55.4	Low	146 Å²	146	81.8 Å²	81.8	55%	0.551	44%	0.443	S	S	*	.	H	α-helix	trans	-61.9	-38.7	173.9	-75.8	-177.4	-64.3	-109.3	1.2	113.2	A795 Q796 H797 T802 A803	A795-R799 WeakPolarHBondContact O-CB 3.4Å; A795-R799 VanDerWaalsContact O-CG 3.31Å; A795-R799 WeakPolarHBondContact O-CG 3.33Å; A795-R799 PolarHBondContact O-N 2.94Å; A795-R799 VanDerWaalsContact O-N 3.12Å; A795-R799 PolarHBondContact O-NE 3.35Å; Q796-R799 PolarHBondContact O-N 2.86Å; H797-R799 VanDerWaalsContact C-N 3.32Å; H797-R799 PolarHBondContact O-N 3.41Å; R799-T802 PolarHBondContact O-OG1 3.18Å; R799-A803 VanDerWaalsContact O-CB 3.26Å; R799-A803 WeakPolarHBondContact O-CB 3.31Å; R799-A803 PolarHBondContact O-N 3.35Å
800	I	58.9	Low	54.2	Low	85 Å²	85	82.5 Å²	82.5	44%	0.436	44%	0.443	S	S	.	.	H	α-helix	trans	-67.9	-42.6	175.3	-67.8	163.7	0	0	0	110.3	Q796 H797 V798 A803 Q804	Q796-I800 HydrophobicContact CG-CD1 4.1Å; Q796-I800 WeakPolarHBondContact O-CG1 3.42Å; Q796-I800 PolarHBondContact O-N 2.88Å; H797-I800 PolarHBondContact O-N 3.37Å; H797-I800 VanDerWaalsContact O-N 3.09Å; V798-I800 PolarHBondContact O-N 2.6Å; I800-A803 PolarHBondContact O-N 3.01Å; I800-Q804 WeakPolarHBondContact O-CB 3.36Å; I800-Q804 WeakPolarHBondContact O-CG 3.33Å; I800-Q804 PolarHBondContact O-N 3.1Å
801	H	60	Low	53	Low	66 Å²	66	83.3 Å²	83.3	31%	0.306	45%	0.453	S	S	.	.	H	α-helix	trans	-70.1	-32.8	-177.7	-159.1	-45.4	0	0	0	112.7	H797 V798 A805	H797-H801 AromaticContact NE2-CD2 3.72Å; H797-H801 WeakPolarHBondContact O-CB 3.43Å; H797-H801 PolarHBondContact O-N 3.34Å; V798-H801 PolarHBondContact O-N 2.95Å; H801-A805 PolarHBondContact O-N 3.27Å
802	T	57.9	Low	52	Low	75 Å²	75	86.2 Å²	86.2	46%	0.46	46%	0.463	S	S	.	.	H	α-helix	trans	-76.1	-38	170.8	52.5	0	0	0	0	112.3	V798 R799 Q804 A805 L806	V798-T802 PolarHBondContact O-N 3.24Å; V798-T802 PolarHBondContact O-OG1 2.86Å; V798-T802 VanDerWaalsContact O-OG1 3.06Å; R799-T802 PolarHBondContact O-OG1 3.18Å; T802-Q804 VanDerWaalsContact C-N 3.34Å; T802-Q804 PolarHBondContact O-N 2.9Å; T802-A805 PolarHBondContact O-N 3.3Å; T802-L806 WeakPolarHBondContact O-CG 3.36Å; T802-L806 PolarHBondContact O-N 2.95Å
803	A	50	Low	50.9	Low	49 Å²	49	84.5 Å²	84.5	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-60.2	-42.6	172.3	0	0	0	0	0	112	R799 I800 A805 L806 V807	R799-A803 VanDerWaalsContact O-CB 3.26Å; R799-A803 WeakPolarHBondContact O-CB 3.31Å; R799-A803 PolarHBondContact O-N 3.35Å; I800-A803 PolarHBondContact O-N 3.01Å; A803-A805 PolarHBondContact O-N 2.79Å; A803-L806 PolarHBondContact O-N 3.09Å; A803-V807 WeakPolarHBondContact O-CG2 3.4Å; A803-V807 PolarHBondContact O-N 3.34Å
804	Q	47.9	Very low	49.7	Very low	119 Å²	119	87.3 Å²	87.3	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-62.5	-40.7	174.1	-75.6	174.6	-15.5	0	0	112.4	I800 T802 V807 M808	I800-Q804 WeakPolarHBondContact O-CB 3.36Å; I800-Q804 WeakPolarHBondContact O-CG 3.33Å; I800-Q804 PolarHBondContact O-N 3.1Å; T802-Q804 VanDerWaalsContact C-N 3.34Å; T802-Q804 PolarHBondContact O-N 2.9Å; Q804-V807 PolarHBondContact O-N 2.92Å; Q804-M808 VanDerWaalsContact O-CG 3.28Å; Q804-M808 WeakPolarHBondContact O-CG 3.21Å; Q804-M808 PolarHBondContact O-N 3.49Å; Q804-M808 VanDerWaalsContact O-N 3.09Å
805	A	47.8	Very low	48.3	Very low	41 Å²	41	93.2 Å²	93.2	34%	0.339	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-43.4	174.6	0	0	0	0	0	112.2	H801 T802 A803 V807 M808 F809	H801-A805 PolarHBondContact O-N 3.27Å; T802-A805 PolarHBondContact O-N 3.3Å; A803-A805 PolarHBondContact O-N 2.79Å; A805-V807 PolarHBondContact O-N 3.22Å; A805-M808 PolarHBondContact O-N 2.96Å; A805-F809 VanDerWaalsContact O-CD2 3.28Å; A805-F809 WeakPolarHBondContact O-CD2 3.3Å; A805-F809 PolarHBondContact O-N 2.9Å
806	L	47.5	Very low	47.4	Very low	112 Å²	112	100 Å²	100	59%	0.586	51%	0.509	S	S	*	.	H	α-helix	trans	-63.2	-39.4	177.2	-71.7	167.4	0	0	0	112.4	T802 A803 M808 F809 Q810	T802-L806 WeakPolarHBondContact O-CG 3.36Å; T802-L806 PolarHBondContact O-N 2.95Å; A803-L806 PolarHBondContact O-N 3.09Å; L806-M808 VanDerWaalsContact C-N 3.34Å; L806-F809 PolarHBondContact O-N 3.42Å; L806-Q810 WeakPolarHBondContact O-CG 3.22Å; L806-Q810 PolarHBondContact O-N 2.92Å
807	V	49.5	Very low	46.3	Very low	92 Å²	92	101.4 Å²	101.4	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-37.9	173.6	170.2	0	0	0	0	111.5	A803 Q804 A805 Q810 S811	A803-V807 WeakPolarHBondContact O-CG2 3.4Å; A803-V807 PolarHBondContact O-N 3.34Å; Q804-V807 PolarHBondContact O-N 2.92Å; A805-V807 PolarHBondContact O-N 3.22Å; V807-Q810 PolarHBondContact O-N 2.82Å; V807-S811 PolarHBondContact O-N 3.14Å; V807-S811 VanDerWaalsContact O-N 3.08Å; V807-S811 PolarHBondContact O-OG 3.28Å
808	M	42.2	Very low	44.9	Very low	131 Å²	131	108.7 Å²	108.7	65%	0.645	54%	0.543	S	S	*	.	H	α-helix	trans	-65.8	-40.1	174.8	-61.3	-129.6	-56.7	0	0	112.2	Q804 A805 L806 Q810 S811 D812	Q804-M808 VanDerWaalsContact O-CG 3.28Å; Q804-M808 WeakPolarHBondContact O-CG 3.21Å; Q804-M808 PolarHBondContact O-N 3.49Å; Q804-M808 VanDerWaalsContact O-N 3.09Å; A805-M808 PolarHBondContact O-N 2.96Å; L806-M808 VanDerWaalsContact C-N 3.34Å; M808-Q810 VanDerWaalsContact C-N 3.28Å; M808-Q810 PolarHBondContact O-N 3.04Å; M808-S811 WeakPolarHBondContact CA-OG 3.49Å; M808-S811 PolarHBondContact O-N 2.65Å; M808-S811 PolarHBondContact O-OG 2.83Å; M808-D812 PolarHBondContact O-N 2.99Å
809	F	40.5	Very low	43.7	Very low	152 Å²	152	109.7 Å²	109.7	67%	0.667	55%	0.549	S	S	*	.	H	α-helix	trans	-64.7	-29.6	173.9	-82.4	-68	0	0	0	113.3	A805 L806 S813	A805-F809 VanDerWaalsContact O-CD2 3.28Å; A805-F809 WeakPolarHBondContact O-CD2 3.3Å; A805-F809 PolarHBondContact O-N 2.9Å; L806-F809 PolarHBondContact O-N 3.42Å; F809-S813 PolarHBondContact O-N 3.42Å
810	Q	39	Very low	42.3	Very low	129 Å²	129	106.3 Å²	106.3	60%	0.603	55%	0.553	S	S	*	*	H	α-helix	trans	-71.2	-37.5	171.9	-72.9	174.6	-14.1	0	0	112.1	L806 V807 M808 D812 S813	L806-Q810 WeakPolarHBondContact O-CG 3.22Å; L806-Q810 PolarHBondContact O-N 2.92Å; V807-Q810 PolarHBondContact O-N 2.82Å; M808-Q810 VanDerWaalsContact C-N 3.28Å; M808-Q810 PolarHBondContact O-N 3.04Å; Q810-D812 PolarHBondContact O-N 3.46Å; Q810-S813 PolarHBondContact O-N 3.29Å; Q810-S813 PolarHBondContact O-OG 3.21Å
811	S	37	Very low	41	Very low	75 Å²	75	106.4 Å²	106.4	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-67.5	-20.3	174.6	51.4	0	0	0	0	114.5	V807 M808	V807-S811 PolarHBondContact O-N 3.14Å; V807-S811 VanDerWaalsContact O-N 3.08Å; V807-S811 PolarHBondContact O-OG 3.28Å; M808-S811 WeakPolarHBondContact CA-OG 3.49Å; M808-S811 PolarHBondContact O-N 2.65Å; M808-S811 PolarHBondContact O-OG 2.83Å
812	D	34.9	Very low	39.6	Very low	106 Å²	106	109 Å²	109	57%	0.567	59%	0.586	S	S	*	*	H	α-helix	trans	-86.8	-20.2	175.8	-78.3	-24.1	0	0	0	113.4	M808 Q810 F815	M808-D812 PolarHBondContact O-N 2.99Å; Q810-D812 PolarHBondContact O-N 3.46Å; D812-F815 PolarHBondContact O-N 3.28Å
813	S	38	Very low	38.3	Very low	58 Å²	58	108.6 Å²	108.6	41%	0.406	59%	0.591	S	S	.	*	H	α-helix	trans	-69.5	-35.4	177.3	53.9	0	0	0	0	113	F809 Q810 F815 Y816 Q817	F809-S813 PolarHBondContact O-N 3.42Å; Q810-S813 PolarHBondContact O-N 3.29Å; Q810-S813 PolarHBondContact O-OG 3.21Å; S813-F815 PolarHBondContact O-N 3.3Å; S813-Y816 PolarHBondContact O-N 3.46Å; S813-Y816 VanDerWaalsContact O-N 3.14Å; S813-Q817 PolarHBondContact O-N 2.85Å
814	D	36.6	Very low	37.2	Very low	114 Å²	114	113.7 Å²	113.7	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-65.9	-25.2	-178.9	-64.5	2.5	0	0	0	111.8
815	F	33.3	Very low	36.2	Very low	155 Å²	155	111.8 Å²	111.8	68%	0.68	63%	0.629	S	S	*	*	H	α-helix	trans	-73.3	-33.9	175.7	-167.3	-103.7	0	0	0	112.6	D812 S813	D812-F815 PolarHBondContact O-N 3.28Å; S813-F815 PolarHBondContact O-N 3.3Å
816	Y	36.2	Very low	35.3	Very low	180 Å²	180	119.4 Å²	119.4	71%	0.706	66%	0.658	S	S	*	*	H	α-helix	trans	-80.2	-27.7	-177.4	-107.6	-84.6	0	0	0	113.8	S813 Y818 T819	S813-Y816 PolarHBondContact O-N 3.46Å; S813-Y816 VanDerWaalsContact O-N 3.14Å; Y816-Y818 VanDerWaalsContact C-N 3.33Å; Y816-Y818 PolarHBondContact O-N 3.03Å; Y816-T819 PolarHBondContact O-N 3.39Å; Y816-T819 PolarHBondContact O-OG1 2.99Å
817	Q	34.6	Very low	34.4	Very low	147 Å²	147	117.6 Å²	117.6	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-66.1	-34.4	175.9	-70.5	-171.3	-7.1	0	0	112.4	S813 T819 A820	S813-Q817 PolarHBondContact O-N 2.85Å; Q817-T819 VanDerWaalsContact C-N 3.31Å; Q817-T819 PolarHBondContact O-N 3.48Å; Q817-A820 PolarHBondContact O-N 3.4Å
818	Y	32.4	Very low	33.3	Very low	191 Å²	191	120.4 Å²	120.4	75%	0.749	68%	0.678	S	S	*	*	H	α-helix	trans	-65.5	-33.1	179.1	-162.1	-102.1	0	0	0	112.8	Y816 A820	Y816-Y818 VanDerWaalsContact C-N 3.33Å; Y816-Y818 PolarHBondContact O-N 3.03Å; Y818-A820 VanDerWaalsContact C-N 3.34Å; Y818-A820 PolarHBondContact O-N 3.36Å
819	T	33.4	Very low	32.6	Very low	81 Å²	81	121.7 Å²	121.7	50%	0.497	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-10.7	179	45.1	0	0	0	0	115	Y816 Q817	Y816-T819 PolarHBondContact O-N 3.39Å; Y816-T819 PolarHBondContact O-OG1 2.99Å; Q817-T819 VanDerWaalsContact C-N 3.31Å; Q817-T819 PolarHBondContact O-N 3.48Å
820	A	30.4	Very low	31.8	Very low	75 Å²	75	122.6 Å²	122.6	62%	0.62	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-19.2	175.3	0	0	0	0	0	113	Q817 Y818 T822	Q817-A820 PolarHBondContact O-N 3.4Å; Y818-A820 VanDerWaalsContact C-N 3.34Å; Y818-A820 PolarHBondContact O-N 3.36Å; A820-T822 VanDerWaalsContact C-N 3.34Å; A820-T822 PolarHBondContact O-N 3.1Å
821	A	31.7	Very low	31.3	Very low	86 Å²	86	121.2 Å²	121.2	71%	0.711	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-1	-172.1	0	0	0	0	0	115
822	T	29.9	Very low	30.7	Very low	120 Å²	120	122.2 Å²	122.2	74%	0.736	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	25.1	-175.2	64.8	0	0	0	0	113.4	A820	A820-T822 VanDerWaalsContact C-N 3.34Å; A820-T822 PolarHBondContact O-N 3.1Å
823	A	30.8	Very low	30.3	Very low	68 Å²	68	122.2 Å²	122.2	56%	0.562	74%	0.737	S	S	*	*	S	Bend	trans	-139.4	129.2	176.9	0	0	0	0	0	111.1
824	T	28.2	Very low	29.8	Very low	156 Å²	156	124.5 Å²	124.5	96%	0.957	76%	0.76	S	S	*	*			trans	82.6	126.8	-171.3	71.5	0	0	0	0	115.8
825	G	25.6	Very low	29.3	Very low	78 Å²	78	123.9 Å²	123.9	80%	0.804	77%	0.771	S	S	*	*			trans	-179.4	27.5	-169.9	0	0	0	0	0	114.7
826	E	30	Very low	28.9	Very low	202 Å²	202	122.7 Å²	122.7	94%	0.944	78%	0.776	S	S	*	*			trans	-144	142.9	169.2	-67	-173.6	146.4	0	0	107.4
827	G	28.5	Very low	28.3	Very low	74 Å²	74	125.6 Å²	125.6	76%	0.763	79%	0.786	S	S	*	*			trans	109.9	73.9	169.4	0	0	0	0	0	117.1
828	D	26.5	Very low	27.6	Very low	151 Å²	151	126.9 Å²	126.9	81%	0.807	79%	0.792	S	S	*	*			trans	-7.2	148.7	153.5	-49.5	-38.6	0	0	0	122.7
829	D	26.3	Very low	27.7	Very low	157 Å²	157	123.1 Å²	123.1	84%	0.84	79%	0.791	S	S	*	*			trans	85.1	147.8	138.3	-77.5	-19	0	0	0	125.6
830	D	24.9	Very low	27.1	Very low	172 Å²	172	123.9 Å²	123.9	92%	0.92	81%	0.806	S	S	*	*			trans	68.8	143.1	170.5	-89.2	-35.6	0	0	0	121.7
831	A	27.4	Very low	27.3	Very low	99 Å²	99	126.1 Å²	126.1	82%	0.818	81%	0.814	S	S	*	*			trans	-131	151.7	-163.6	0	0	0	0	0	113.8
832	A	24.6	Very low	27	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	82%	0.82	S	S	*	*			trans	-159.3	139.5	152.4	0	0	0	0	0	114.6
833	A	26.4	Very low	26.8	Very low	105 Å²	105	134 Å²	134	87%	0.868	83%	0.828	S	S	*	*			trans	51.9	115.4	147.1	0	0	0	0	0	120.7
834	A	27.1	Very low	26.4	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	84%	0.837	S	S	*	*			trans	-76.5	151.8	167.1	0	0	0	0	0	113.4
835	A	26.7	Very low	26.2	Very low	102 Å²	102	136.3 Å²	136.3	84%	0.843	83%	0.827	S	S	*	*			trans	-145.8	128.3	154.4	0	0	0	0	0	110.9
836	T	25.3	Very low	26	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	83%	0.832	S	S	*	*			trans	-75.7	-174.4	168.6	-30.4	0	0	0	0	110.4
837	W	23.3	Very low	25.7	Very low	242 Å²	242	140.9 Å²	140.9	92%	0.917	83%	0.828	S	S	*	*			trans	122.1	120.1	152.5	-71.7	82.8	0	0	0	116.5
838	Q	20.1	Very low	25.6	Very low	174 Å²	174	146.7 Å²	146.7	81%	0.813	84%	0.835	S	S	*	*			trans	-117.1	176.5	153.9	-70.5	-173	-28.7	0	0	106.8
839	P	34.5	Very low	25.5	Very low	112 Å²	112	147 Å²	147	73%	0.727	83%	0.831	S	S	*	*				-134.8	170.5	-51.9	38.2	-23.6	0	0	0	113.9
840	A	21.6	Very low	25.4	Very low	97 Å²	97	147.4 Å²	147.4	80%	0.802	83%	0.833	S	S	*	*			trans	67.2	169.1	159.8	0	0	0	0	0	117.9
841	P	34.1	Very low	25.3	Very low	121 Å²	121	145.1 Å²	145.1	79%	0.786	82%	0.819	S	S	*	*			cis	-126.6	-165.9	-1.7	43	-26.5	0	0	0	116
842	E	26.1	Very low	25.1	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	82%	0.823	S	S	*	*			trans	-57	150.6	-168.9	-51.7	154.1	106	0	0	119.1
843	Q	24.4	Very low	25	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	82%	0.824	S	S	*	*			trans	-153.2	112	141.4	-71.8	-155.8	-4.4	0	0	114.9
844	V	22.7	Very low	24.9	Very low	124 Å²	124	155.7 Å²	155.7	75%	0.752	81%	0.812	S	S	*	*			trans	40.1	109.1	133.7	-171.5	0	0	0	0	123.1
845	I	23.8	Very low	24.8	Very low	149 Å²	149	158.3 Å²	158.3	76%	0.764	81%	0.806	S	S	*	*				42.6	122.9	129.5	-50	170.4	0	0	0	121.5
846	Q	22.5	Very low	24.8	Very low	194 Å²	194	161.6 Å²	161.6	91%	0.907	80%	0.804	S	S	*	*				-162.8	156.4	118	-112.3	177.7	-9.9	0	0	114.2
847	E	23.7	Very low	24.9	Very low	181 Å²	181	163.1 Å²	163.1	85%	0.846	80%	0.802	S	S	*	*			trans	-103.9	158.1	-179	-54.6	171.8	124.3	0	0	110.8
848	E	25	Very low	25.2	Very low	197 Å²	197	157.1 Å²	157.1	92%	0.921	79%	0.785	S	S	*	*				-171.9	173.3	128.4	-109.6	174.3	-163.4	0	0	113.2
849	E	24.6	Very low	25.5	Very low	156 Å²	156	157.8 Å²	157.8	73%	0.729	78%	0.78	S	S	*	*			trans	-70.7	166.5	-166.5	-51.3	179	108	0	0	115.5
850	L	24.9	Very low	25.1	Very low	166 Å²	166	161.5 Å²	161.5	87%	0.869	78%	0.784	S	S	*	*				-160.1	135.4	117.3	-109.1	165.8	0	0	0	113.6
851	I	23.3	Very low	25.3	Very low	124 Å²	124	160.8 Å²	160.8	64%	0.636	77%	0.774	S	S	*	*			trans	-97.4	144.5	175.8	-62	158.7	0	0	0	108.7
852	F	22.7	Very low	25.1	Very low	207 Å²	207	163.3 Å²	163.3	91%	0.908	78%	0.775	S	S	*	*			trans	-148.7	158.2	143.8	-109.2	-72.2	0	0	0	112.8
853	R	22.8	Very low	25.1	Very low	215 Å²	215	162.6 Å²	162.6	81%	0.811	77%	0.772	S	S	*	*			trans	-130.6	144	-167.1	-126.5	-174.6	-171.2	168.6	2.2	111.2
854	T	23.6	Very low	25.2	Very low	101 Å²	101	160.4 Å²	160.4	62%	0.62	76%	0.763	S	S	*	*			trans	19.9	134.2	142.5	54.2	0	0	0	0	120.8
855	E	25.9	Very low	25.3	Very low	161 Å²	161	161.6 Å²	161.6	75%	0.752	77%	0.765	S	S	*	*				-176	128.3	111.4	-94.9	146	-149.5	0	0	108.6
856	E	26.6	Very low	25.3	Very low	171 Å²	171	158.1 Å²	158.1	80%	0.799	77%	0.766	S	S	*	*				75.8	151.3	106.1	-62.9	-174.8	160.2	0	0	113.6
857	E	26.3	Very low	25.5	Very low	161 Å²	161	157.2 Å²	157.2	75%	0.752	76%	0.762	S	S	*	*			cis	-149	172.1	17.4	-146.7	-178.8	-166.8	0	0	111.9
858	E	29.2	Very low	25.7	Very low	117 Å²	117	158.1 Å²	158.1	55%	0.547	77%	0.766	S	S	.	*			trans	-11.7	165.4	157.7	-74.6	-173.4	119.5	0	0	122.8
859	R	27.8	Very low	25.8	Very low	188 Å²	188	153.6 Å²	153.6	71%	0.709	75%	0.752	S	S	*	*			cis	-170.1	155.8	21.3	-127.9	160.7	-156.6	152.8	14.2	113.6
860	K	25.9	Very low	25.9	Very low	189 Å²	189	152 Å²	152	82%	0.822	76%	0.757	S	S	*	*			trans	73.1	152.4	142.8	-89	-178.8	179	-165.8	0	125.6
861	S	26.3	Very low	26	Very low	83 Å²	83	151.8 Å²	151.8	58%	0.58	75%	0.752	S	S	*	*			trans	-58.9	175.2	171.1	50.4	0	0	0	0	115.3
862	E	28.2	Very low	26.1	Very low	173 Å²	173	152.2 Å²	152.2	81%	0.808	76%	0.761	S	S	*	*			cis	-161.3	-165.5	36.8	-141.6	134.5	-103.2	0	0	114.5
863	E	26.6	Very low	26.2	Very low	168 Å²	168	147.3 Å²	147.3	79%	0.785	75%	0.747	S	S	*	*			trans	-61	154.7	-156.5	-63.1	177.3	136.7	0	0	123.4
864	M	27.8	Very low	26.3	Very low	144 Å²	144	143.3 Å²	143.3	71%	0.709	74%	0.741	S	S	*	*			trans	76.4	152.5	134.8	-83.3	-177.8	63.9	0	0	126.4
865	D	23.9	Very low	26.3	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	74%	0.743	S	S	*	*			trans	67.3	154.3	161.3	-64.8	-20.4	0	0	0	121.7
866	G	24.9	Very low	26.3	Very low	76 Å²	76	143 Å²	143	78%	0.784	74%	0.739	S	S	*	*			trans	129.9	46	158.5	0	0	0	0	0	119.6
867	E	26	Very low	26.2	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	74%	0.738	S	S	*	*			trans	-12.4	130	155.7	-178.3	-178.9	172.5	0	0	118.2	V869	E867-V869 HydrophobicContact CG-CG2 4.36Å
868	Q	28.1	Very low	26.2	Very low	200 Å²	200	143.6 Å²	143.6	94%	0.935	74%	0.742	S	S	*	*			trans	-145.2	128	150.9	-151.1	164.3	84.8	0	0	112
869	V	26.1	Very low	26.1	Very low	102 Å²	102	141.5 Å²	141.5	62%	0.618	75%	0.745	S	S	*	*			trans	-104.7	141.9	-175.5	174.5	0	0	0	0	110.4	E867	E867-V869 HydrophobicContact CG-CG2 4.36Å
870	S	27.2	Very low	26	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	75%	0.747	S	S	*	*			trans	-148.6	83.3	160.4	64.5	0	0	0	0	111.5
871	E	27	Very low	26.1	Very low	162 Å²	162	137.1 Å²	137.1	76%	0.757	74%	0.744	S	S	*	*			trans	-83.6	137.1	164.3	-73.9	-171.3	112.4	0	0	111.5	V873	E871-V873 HydrophobicContact CB-CG2 4.24Å
872	T	24.8	Very low	26.1	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	75%	0.748	S	S	*	*			trans	-167.7	120.1	149.7	26.5	0	0	0	0	106.5
873	V	25.1	Very low	26	Very low	103 Å²	103	138.3 Å²	138.3	62%	0.624	75%	0.747	S	S	*	*			cis	67.8	125.8	17.4	-156	0	0	0	0	110.9	E871	E871-V873 HydrophobicContact CB-CG2 4.24Å
874	I	25.3	Very low	26.1	Very low	132 Å²	132	138.1 Å²	138.1	68%	0.677	75%	0.746	S	S	*	*			cis	-138.7	-175.2	3.6	12.8	-171.9	0	0	0	108.6
875	H	24.3	Very low	26.1	Very low	142 Å²	142	138.4 Å²	138.4	66%	0.657	76%	0.756	S	S	*	*			cis	-126.5	-163.3	17.9	-86.7	-98.6	0	0	0	111.6
876	V	24.6	Very low	26.2	Very low	112 Å²	112	137.5 Å²	137.5	68%	0.679	76%	0.757	S	S	*	*			cis	65.9	148	25.8	-132.6	0	0	0	0	112.4
877	E	25.8	Very low	26.3	Very low	165 Å²	165	139.7 Å²	139.7	77%	0.771	76%	0.76	S	S	*	*			cis	-123	166.8	12.9	-71.3	161.7	164.7	0	0	110.7
878	E	25.3	Very low	26.6	Very low	180 Å²	180	139.2 Å²	139.2	84%	0.841	76%	0.758	S	S	*	*				58.8	139.2	55.7	-93.6	-170	149.4	0	0	113.9
879	A	26.7	Very low	26.6	Very low	73 Å²	73	136.5 Å²	136.5	60%	0.603	75%	0.745	S	S	*	*			cis	-163.5	-166	-2	0	0	0	0	0	111
880	V	26.9	Very low	26.7	Very low	124 Å²	124	138.7 Å²	138.7	75%	0.752	75%	0.748	S	S	*	*			trans	72.5	147	144.2	160	0	0	0	0	118.4
881	E	26.7	Very low	26.8	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.752	74%	0.742	S	S	*	*			cis	-167.1	144.1	-15.9	-102.5	-178	167.2	0	0	109.9
882	V	27.7	Very low	26.8	Very low	111 Å²	111	138 Å²	138	67%	0.673	75%	0.745	S	S	*	*				95.6	172.3	108.9	172.8	0	0	0	0	116.6
883	E	26.3	Very low	27	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	74%	0.744	S	S	*	*			trans	75.3	99.4	-171.4	-50.6	-71.3	114.7	0	0	113.6
884	E	28.7	Very low	27.6	Very low	164 Å²	164	145 Å²	145	77%	0.766	75%	0.752	S	S	*	*				70	120.6	50.4	-69.8	-145.4	148.1	0	0	117.5
885	T	26.1	Very low	27.8	Very low	150 Å²	150	146 Å²	146	92%	0.92	76%	0.759	S	S	*	*			trans	-167.8	154.6	137.7	8.2	0	0	0	0	110.2
886	T	26.3	Very low	28.1	Very low	131 Å²	131	142 Å²	142	80%	0.804	76%	0.756	S	S	*	*			trans	-133.9	153.6	-165.4	52.6	0	0	0	0	114.2
887	S	26.7	Very low	28.5	Very low	122 Å²	122	146.3 Å²	146.3	85%	0.853	77%	0.769	S	S	*	*			trans	-158.7	159.8	147.6	61.1	0	0	0	0	110.5
888	E	33.4	Very low	29.1	Very low	165 Å²	165	147.4 Å²	147.4	77%	0.771	77%	0.774	S	S	*	*			trans	-107.8	167.3	-162.4	-49.3	-176.8	147.1	0	0	112
889	H	27.8	Very low	29.3	Very low	142 Å²	142	148 Å²	148	66%	0.657	78%	0.777	S	S	*	*				-172	144.5	70.4	-121.5	19.1	0	0	0	114.6
890	Q	28.8	Very low	29.6	Very low	148 Å²	148	152.7 Å²	152.7	69%	0.692	78%	0.784	S	S	*	*			trans	77.9	99.9	145.3	-63.6	-178.5	21.6	0	0	123.5
891	T	28.2	Very low	29.8	Very low	117 Å²	117	154.6 Å²	154.6	72%	0.718	78%	0.784	S	S	*	*				81.6	90.3	125.7	57.7	0	0	0	0	123.2
892	N	26.3	Very low	30.1	Very low	152 Å²	152	155.7 Å²	155.7	81%	0.813	79%	0.79	S	S	*	*				52.4	95.1	118.7	-64.1	40.4	0	0	0	121.8
893	E	29.5	Very low	30.2	Very low	173 Å²	173	158.1 Å²	158.1	81%	0.808	80%	0.799	S	S	*	*				8.5	151.6	114.2	-54.5	-164.2	110	0	0	123.1
894	R	38.3	Very low	30.5	Very low	211 Å²	211	155.7 Å²	155.7	80%	0.796	80%	0.795	S	S	*	*			trans	-5.1	165.4	131.1	-60.1	-177.6	178.7	142	0.7	118.4
895	D	30.4	Very low	30.7	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	79%	0.786	S	S	*	*			cis	-167.4	-162.6	43.5	-129	-40.6	0	0	0	112.2
896	G	30.3	Very low	30.8	Very low	58 Å²	58	151.7 Å²	151.7	60%	0.598	77%	0.774	S	S	*	*			trans	123.7	78.9	136.5	0	0	0	0	0	121.5
897	E	32.1	Very low	31	Very low	202 Å²	202	153.9 Å²	153.9	94%	0.944	77%	0.773	S	S	*	*				62.9	176.9	120.6	-63.1	-166.9	138.3	0	0	124.3
898	E	37.6	Very low	31.3	Very low	189 Å²	189	156.7 Å²	156.7	88%	0.883	78%	0.778	S	S	*	*			trans	-89.4	171.1	-175.8	-46	-178	121.7	0	0	111.9
899	E	29.5	Very low	31.2	Very low	193 Å²	193	156.3 Å²	156.3	90%	0.902	78%	0.779	S	S	*	*				-163.1	171.8	128.9	-123.3	-175.9	-175.6	0	0	115
900	K	34.9	Very low	31.4	Very low	170 Å²	170	157.1 Å²	157.1	74%	0.739	79%	0.785	S	S	*	*			trans	-94.3	-164.1	164.1	-55.9	176.2	-170	160.5	0	108.1
901	E	30.9	Very low	31.6	Very low	165 Å²	165	157.6 Å²	157.6	77%	0.771	79%	0.79	S	S	*	*			cis	-155	-165.9	8.9	-150.2	152.3	-115	0	0	108.7
902	E	33.2	Very low	31.8	Very low	184 Å²	184	159.9 Å²	159.9	86%	0.86	80%	0.795	S	S	*	*			trans	-80.5	145.2	173.3	-58.6	-177.5	105.8	0	0	112.1
903	N	28	Very low	32.1	Very low	162 Å²	162	160.4 Å²	160.4	87%	0.866	79%	0.793	S	S	*	*				-171.7	179.2	118.3	-132.1	-32.7	0	0	0	117.1
904	V	33.3	Very low	32.3	Very low	118 Å²	118	159.6 Å²	159.6	72%	0.715	79%	0.792	S	S	*	*			trans	-78.6	117.3	-165.6	164.1	0	0	0	0	116.6
905	K	32.9	Very low	31.8	Very low	135 Å²	135	155.9 Å²	155.9	59%	0.587	79%	0.792	S	S	*	*				67	152.3	116.7	-155.3	176.9	-173.2	-169.7	0	123	S247 Y248	S247-K905 PolarHBondContact O-NZ 3.07Å; Y248-K905 WeakPolarHBondContact O-CE 3.45Å
906	S	28.6	Very low	32	Very low	95 Å²	95	156.2 Å²	156.2	66%	0.664	79%	0.79	S	S	*	*			trans	90.5	141.8	166.5	81	0	0	0	0	115.4
907	K	30.2	Very low	32.1	Very low	177 Å²	177	164.3 Å²	164.3	77%	0.77	81%	0.806	S	S	*	*			cis	-126.2	173.5	11.1	-70.6	174.2	178.9	167.4	0	113.5
908	D	33.9	Very low	32.1	Very low	182 Å²	182	160.9 Å²	160.9	97%	0.973	79%	0.794	S	S	*	*			trans	67	0	165.6	-54	-31.9	0	0	0	118.5	N250	N250-D908 PolarHBondContact N-OXT 3.49Å

Retrieved 908 of 908 residues in 575.1 ms (Link to these results)

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