A0A077Z860_TRITR Loading...

VPS9 and MORN and RCC1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z860, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,130 aa.

						>A0A077Z860_TRITR|A0A077Z860
MDESSEHSSLYSPLAAIRVVSVCCAFGTVGVITDSHKVLMWGRSDHGQCGFVTECIKEPVQVTICVKEMCDDSCHKTSHPEVEVQKISISRYQTLAIDSSNALWAWGTPLEGQSAILVPYRVSQLSGRHVLAVASGFGHYVVLVNKLVGNTGALHQLSELKSVRSCPSPSSDEREATENEKYLQFDYSENKSECHSEEVPPNGYCPLGVKLTSADGTTASLDQPANEVGHSLLGKLVTKFGTCSVSSAEDKFEMLEMPNLSNAANRLSFVSRDLIQASISSSESSPFVESSFAYLNAKEAKGTGVDSSIAREERSVTSTEVWTWGLNKLGQLGCTDCDNRLEPERLSILDEAGIVSIDAGAFHTVALSCTAEAYVWGSNEDGQIKLSDRLYVAEPTIFKAGSCLKVIELAAGSHFTALLMIGQDLQPQCYVCGCKNLGIGQSVVRVEFPSSVVPLSMYFSNECLVQGCVKAFLDDHSKLPVDCLCKAQYSLMDQNHLLKQLAKILEWISTEDCVADSYNKLLLKNFSRSLKIYRANAMKSYMSLRALLHSADPFACLKSLFRTLRADEYQSGDAEVSVRRLSDVYSVVYEKIGRIMEELFFLPFVLFGTMYLITAELQKDDQFFKETSNFLLNIGKVFRFYKNKAYDTQKLRTTYRGDSSGSLYEGYYKDNKPEGHGALRTAESLFVGEWKKGVKNGYGVLEKSRTKYLGIWEGDLPNGIGVLVTLDGVCCRGSFVKDSFRKGVLYLPDGMVVKGEFANSECLNGKAAVYFPSGECLNGSFYGRIQDSVQITSGSLQKCSARNIVVDEATFPSADMKWSDVFRHAYDLLGQSSVEECDTDKAWESLAAYCGKVQCSSPVEKGTHVKLKNGLIDVFNLSYSGTGVHRCLLLDAVQETKSIFLRFYKYVRILFPSLPPESEMNNLVSEIDHTTPRLSWSLETFSSFICGNILQSIYPNLFTLYVIKNEDSDKAYQLNIRHVNSKSDVMLLDHLGVDREFWPIVFNDTADLDKPSACITARMQYYSKAIDCFQRLSSEFSPIDKFKIIAETFEHVNRCVSENCENVLACPWTADNLVPITTYVLIRAQIQRLGAELNFIRDFAPSLDEAGEIQYMFTTLQCCYQFLVQSKNIG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.2	Very low	32.4	Very low	172 Å²	172	120.7 Å²	120.7	85%	0.847	64%	0.638	S	S	*	*				0	125.7	0	-70.2	-169.2	-166.5	0	0	108.7
2	D	25.9	Very low	34	Very low	148 Å²	148	117.3 Å²	117.3	79%	0.791	63%	0.632	S	S	*	*			trans	45.3	135.6	162.2	-71.9	-19.2	0	0	0	126.2
3	E	25.5	Very low	35.5	Very low	194 Å²	194	112.4 Å²	112.4	91%	0.907	61%	0.61	S	S	*	*			trans	-88.8	10.9	-171.8	-69.4	-172.2	140.3	0	0	115.8	S5	E3-S5 PolarHBondContact O-N 2.57Å
4	S	27.2	Very low	37.3	Very low	65 Å²	65	106.6 Å²	106.6	46%	0.455	58%	0.578	S	S	.	*			trans	-82.7	91.2	-173.7	61	0	0	0	0	114.4	E6	S4-E6 PolarHBondContact O-N 3.48Å
5	S	26.1	Very low	39	Very low	95 Å²	95	105.3 Å²	105.3	66%	0.664	59%	0.588	S	S	*	*	S	Bend	trans	32.9	-13.2	144.8	49.4	0	0	0	0	126.5	E3	E3-S5 PolarHBondContact O-N 2.57Å
6	E	29.7	Very low	40.9	Very low	158 Å²	158	104.8 Å²	104.8	74%	0.738	60%	0.601	S	S	*	*			trans	-123.1	11.7	-165.2	-74.5	-171.4	165.5	0	0	118.7	S4 S8	S4-E6 PolarHBondContact O-N 3.48Å; E6-S8 PolarHBondContact O-N 3.26Å
7	H	39	Very low	43	Very low	80 Å²	80	102.4 Å²	102.4	37%	0.37	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	33.4	-167.1	-67.6	-61.8	0	0	0	119.1	S9 L10	H7-S9 VanDerWaalsContact C-N 3.27Å; H7-L10 HydrophobicContact CB-CD1 4.12Å; H7-L10 WeakPolarHBondContact ND1-CD1 3.23Å
8	S	34.6	Very low	45.2	Very low	116 Å²	116	106.9 Å²	106.9	81%	0.811	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-13.1	163.8	68.1	0	0	0	0	112.7	E6	E6-S8 PolarHBondContact O-N 3.26Å
9	S	38	Very low	47	Very low	62 Å²	62	104.4 Å²	104.4	43%	0.434	58%	0.579	S	S	.	*	S	Bend	trans	-79.9	-17.9	178.3	58.6	0	0	0	0	114.3	H7 Y11 S12 P13	H7-S9 VanDerWaalsContact C-N 3.27Å; S9-Y11 PolarHBondContact O-N 3.1Å; S9-Y11 VanDerWaalsContact O-N 3.12Å; S9-S12 PolarHBondContact O-N 3.36Å; S9-S12 PolarHBondContact O-OG 2.64Å; S9-S12 VanDerWaalsContact O-OG 3.09Å; S9-P13 WeakPolarHBondContact O-CD 3.5Å
10	L	41.1	Very low	48.8	Very low	54 Å²	54	104.2 Å²	104.2	28%	0.283	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-27.9	-177	-106.9	156.3	0	0	0	113.3	H7	H7-L10 HydrophobicContact CB-CD1 4.12Å; H7-L10 WeakPolarHBondContact ND1-CD1 3.23Å
11	Y	45.1	Very low	50.5	Low	184 Å²	184	101.2 Å²	101.2	72%	0.722	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-10.3	177.3	-68.7	-78.8	0	0	0	113.6	S9 A15	S9-Y11 PolarHBondContact O-N 3.1Å; S9-Y11 VanDerWaalsContact O-N 3.12Å; Y11-A15 WeakPolarHBondContact O-CB 3.41Å; Y11-A15 PolarHBondContact O-N 3Å
12	S	51.4	Low	53.3	Low	80 Å²	80	97 Å²	97	56%	0.559	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-39.2	-177.6	71.7	0	0	0	0	114.1	S9	S9-S12 PolarHBondContact O-N 3.36Å; S9-S12 PolarHBondContact O-OG 2.64Å; S9-S12 VanDerWaalsContact O-OG 3.09Å
13	P	53.7	Low	56.2	Low	53 Å²	53	91.3 Å²	91.3	34%	0.344	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.5	177.1	-15.7	28.8	0	0	0	111.7	S9 I17	S9-P13 WeakPolarHBondContact O-CD 3.5Å; P13-I17 WeakPolarHBondContact O-CD1 3.38Å
14	L	61	Low	59	Low	31 Å²	31	86.1 Å²	86.1	16%	0.162	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-81.6	-21.2	-178.4	-72.8	163.7	0	0	0	113.1	A16 I17 V19 L39 W41 P59	L14-A16 PolarHBondContact O-N 2.99Å; L14-A16 VanDerWaalsContact O-N 3.08Å; L14-I17 PolarHBondContact O-N 3.19Å; L14-I17 VanDerWaalsContact O-O 3.07Å; L14-V19 HydrophobicContact CD2-CG2 4.25Å; L14-L39 HydrophobicContact CD2-CD1 4.23Å; L14-W41 HydrophobicContact CD1-CH2 3.72Å; L14-W41 HydrophobicContact CD1-CZ2 4.2Å; L14-W41 HydrophobicContact CD1-CZ3 4.29Å; L14-P59 HydrophobicContact CD1-CG 4.2Å; L14-P59 HydrophobicContact CG-CG 4.21Å
15	A	61.9	Low	61.7	Low	88 Å²	88	84.1 Å²	84.1	73%	0.727	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-59.6	-24.2	-178.4	0	0	0	0	0	113.4	Y11	Y11-A15 WeakPolarHBondContact O-CB 3.41Å; Y11-A15 PolarHBondContact O-N 3Å
16	A	69.4	Low	64.5	Low	97 Å²	97	82.6 Å²	82.6	80%	0.802	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-97.1	-1.3	177.2	0	0	0	0	0	113.8	L14	L14-A16 PolarHBondContact O-N 2.99Å; L14-A16 VanDerWaalsContact O-N 3.08Å
17	I	76.9	Confident	67	Low	64 Å²	64	77.2 Å²	77.2	33%	0.328	46%	0.461	S	S	.	.	S	Bend	trans	-116.9	126.5	-171.7	-56.6	176.1	0	0	0	109.3	P13 L14 V19 T33 L39	P13-I17 WeakPolarHBondContact O-CD1 3.38Å; L14-I17 PolarHBondContact O-N 3.19Å; L14-I17 VanDerWaalsContact O-O 3.07Å; I17-V19 PolarHBondContact O-N 3.28Å; I17-T33 HydrophobicContact CG2-CG2 3.45Å; I17-T33 VanDerWaalsContact CG2-CG2 3.45Å; I17-L39 HydrophobicContact CD1-CD1 3.9Å; I17-L39 HydrophobicContact CG2-CD1 4.48Å
18	R	82.6	Confident	69.4	Low	184 Å²	184	73.4 Å²	73.4	69%	0.694	44%	0.444	S	S	*	.			trans	-79.4	121.6	174.7	-174.4	177.3	-179.1	168.4	-0.3	110	T33 D34	R18-T33 CarbonylContact O-C 3.45Å; R18-T33 VanDerWaalsContact O-CA 3.31Å; R18-T33 WeakPolarHBondContact O-CA 3.49Å; R18-D34 HydrophobicContact CB-CB 4.13Å; R18-D34 WeakPolarHBondContact CB-OD2 3.42Å; R18-D34 HydrophobicContact CG-CB 4.24Å; R18-D34 PolarHBondContact O-N 2.83Å
19	V	80.8	Confident	72.1	Confident	59 Å²	59	69.5 Å²	69.5	36%	0.358	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129	178.7	171.1	0	0	0	0	109.9	L14 I17 V22 V31	L14-V19 HydrophobicContact CD2-CG2 4.25Å; I17-V19 PolarHBondContact O-N 3.28Å; V19-V22 HydrophobicContact CG1-CG2 3.61Å; V19-V31 HydrophobicContact CB-CG1 3.93Å; V19-V31 HydrophobicContact CG1-CG1 3.39Å; V19-V31 HydrophobicContact CG2-CG1 3.46Å; V19-V31 VanDerWaalsContact CG2-CG1 3.46Å
20	V	82.6	Confident	74.7	Confident	99 Å²	99	66.5 Å²	66.5	60%	0.6	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	-39.8	177.4	178	0	0	0	0	111.5	I32 D34	V20-I32 PolarHBondContact N-O 3.17Å; V20-D34 HydrophobicContact CG2-CB 4.06Å
21	S	83.6	Confident	77.1	Confident	42 Å²	42	64.1 Å²	64.1	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.4	-177.3	-174.6	0	0	0	0	111.5	V31 I32	S21-V31 WeakPolarHBondContact O-CA 3.31Å; S21-I32 PolarHBondContact N-O 2.89Å; S21-I32 PolarHBondContact O-N 3.21Å
22	V	84.3	Confident	79.4	Confident	84 Å²	84	55.5 Å²	55.5	51%	0.509	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.9	179.7	-175.7	0	0	0	0	109	V19 V29 G30 V31	V19-V22 HydrophobicContact CG1-CG2 3.61Å; V22-V29 HydrophobicContact CG1-CG1 4.39Å; V22-G30 WeakPolarHBondContact CA-O 3.49Å; V22-V31 HydrophobicContact CG1-CG2 4.23Å; V22-V31 HydrophobicContact CG2-CG2 4.15Å
23	C	86.9	Confident	81.3	Confident	29 Å²	29	51.9 Å²	51.9	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.7	170.5	-174.7	0	0	0	0	108.8	G30 I87 I89	C23-G30 PolarHBondContact N-O 2.77Å; C23-G30 PolarHBondContact O-N 2.96Å; C23-I87 HydrophobicContact CB-CD1 3.88Å; C23-I87 HydrophobicContact CB-CG1 3.71Å; C23-I89 HydrophobicContact CB-CD1 4.06Å; C23-I89 HydrophobicContact CB-CG1 4.45Å; C23-I89 WeakPolarHBondContact O-CD1 3.39Å
24	C	84.1	Confident	83	Confident	84 Å²	84	52.7 Å²	52.7	57%	0.568	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.3	179.2	-61.5	0	0	0	0	108.9	T28	C24-T28 WeakPolarHBondContact CA-O 3.48Å
25	A	83.7	Confident	84.3	Confident	24 Å²	24	54.3 Å²	54.3	20%	0.198	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.8	176.8	0	0	0	0	0	110.7	G27 T28 I89	A25-G27 PolarHBondContact O-N 3.39Å; A25-T28 PolarHBondContact N-O 2.91Å; A25-T28 PolarHBondContact O-N 3.3Å; A25-I89 HydrophobicContact CB-CB 4.04Å; A25-I89 HydrophobicContact CB-CG2 4.25Å; A25-I89 WeakPolarHBondContact CB-O 3.34Å
26	F	84	Confident	85.6	Confident	63 Å²	63	52.9 Å²	52.9	28%	0.276	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	31.1	171.7	-52.7	-73.7	0	0	0	116.2	S90 R91 G136 F137 A361	F26-S90 VanDerWaalsContact CD2-C 3.48Å; F26-R91 HydrophobicContact CB-CB 4.46Å; F26-R91 HydrophobicContact CD1-CB 4.46Å; F26-R91 HydrophobicContact CD2-CB 4.48Å; F26-R91 HydrophobicContact CG-CB 4.2Å; F26-G136 WeakPolarHBondContact CE2-O 3.22Å; F26-F137 HydrophobicContact CD1-CD2 4.04Å; F26-F137 HydrophobicContact CE1-CB 4.36Å; F26-F137 AromaticContact CE1-CD2 3.65Å; F26-F137 HydrophobicContact CE1-CD2 3.65Å; F26-F137 HydrophobicContact CE1-CG 4.47Å; F26-F137 HydrophobicContact CZ-CB 4.21Å; F26-F137 HydrophobicContact CZ-CD2 4.29Å; F26-A361 HydrophobicContact CE1-CB 4.49Å; F26-A361 HydrophobicContact CZ-CB 4.45Å
27	G	83.1	Confident	86.7	Confident	44 Å²	44	51.8 Å²	51.8	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	7.1	179.8	0	0	0	0	0	114.7	A25 G42 R43	A25-G27 PolarHBondContact O-N 3.39Å; G27-G42 WeakPolarHBondContact O-CA 3.2Å; G27-R43 PolarHBondContact O-N 3.14Å
28	T	89.1	Confident	87.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.9	175.2	-50.1	0	0	0	0	109.1	C24 A25 M40 R43 Q48 I89	C24-T28 WeakPolarHBondContact CA-O 3.48Å; A25-T28 PolarHBondContact N-O 2.91Å; A25-T28 PolarHBondContact O-N 3.3Å; T28-M40 HydrophobicContact CG2-CE 3.98Å; T28-R43 PolarHBondContact OG1-O 2.86Å; T28-Q48 HydrophobicContact CG2-CB 4.19Å; T28-I89 HydrophobicContact CG2-CD1 4.46Å; T28-I89 HydrophobicContact CG2-CG2 4.18Å
29	V	90.4	Very high	88	Confident	33 Å²	33	40.8 Å²	40.8	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.4	175.5	-178.4	0	0	0	0	108.2	V22 V31 M40 W41	V22-V29 HydrophobicContact CG1-CG1 4.39Å; V29-V31 HydrophobicContact CG1-CG2 4.29Å; V29-M40 CarbonylContact O-C 3.49Å; V29-M40 VanDerWaalsContact O-CA 3.23Å; V29-M40 WeakPolarHBondContact O-CA 3.32Å; V29-W41 HydrophobicContact CB-CD2 4.05Å; V29-W41 HydrophobicContact CB-CE3 4.45Å; V29-W41 HydrophobicContact CB-CH2 4.26Å; V29-W41 HydrophobicContact CB-CZ2 3.81Å; V29-W41 HydrophobicContact CG1-CD2 4.33Å; V29-W41 HydrophobicContact CG1-CE3 4.41Å; V29-W41 HydrophobicContact CG1-CH2 3.48Å; V29-W41 VanDerWaalsContact CG1-CH2 3.48Å; V29-W41 HydrophobicContact CG1-CZ2 3.35Å; V29-W41 HydrophobicContact CG1-CZ3 4.02Å; V29-W41 HydrophobicContact CG2-CZ2 4.42Å; V29-W41 PolarHBondContact N-O 2.9Å; V29-W41 PolarHBondContact O-N 2.87Å
30	G	92.5	Very high	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.1	172.1	0	0	0	0	0	110.6	V22 C23 L39 I87	V22-G30 WeakPolarHBondContact CA-O 3.49Å; C23-G30 PolarHBondContact N-O 2.77Å; C23-G30 PolarHBondContact O-N 2.96Å; G30-L39 CarbonylContact C-O 3.41Å; G30-L39 WeakPolarHBondContact CA-O 3.36Å; G30-I87 VanDerWaalsContact C-CD1 3.45Å
31	V	92.7	Very high	89.2	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.1	-176.3	172.7	0	0	0	0	109.6	V19 S21 V22 V29 V38 L39 W41	V19-V31 HydrophobicContact CB-CG1 3.93Å; V19-V31 HydrophobicContact CG1-CG1 3.39Å; V19-V31 HydrophobicContact CG2-CG1 3.46Å; V19-V31 VanDerWaalsContact CG2-CG1 3.46Å; S21-V31 WeakPolarHBondContact O-CA 3.31Å; V22-V31 HydrophobicContact CG1-CG2 4.23Å; V22-V31 HydrophobicContact CG2-CG2 4.15Å; V29-V31 HydrophobicContact CG1-CG2 4.29Å; V31-V38 CarbonylContact O-C 3.4Å; V31-V38 WeakPolarHBondContact O-CA 3.41Å; V31-L39 PolarHBondContact N-O 2.95Å; V31-L39 PolarHBondContact O-N 3.12Å; V31-W41 HydrophobicContact CB-CZ3 4.19Å; V31-W41 HydrophobicContact CG2-CH2 3.5Å; V31-W41 VanDerWaalsContact CG2-CH2 3.5Å; V31-W41 HydrophobicContact CG2-CZ3 3.61Å
32	I	92.3	Very high	89.5	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.8	172.1	-54.7	176.6	0	0	0	108.4	V20 S21 K37 V84 Q85 I87	V20-I32 PolarHBondContact N-O 3.17Å; S21-I32 PolarHBondContact N-O 2.89Å; S21-I32 PolarHBondContact O-N 3.21Å; I32-K37 WeakPolarHBondContact CA-O 3.33Å; I32-V84 HydrophobicContact CD1-CG1 4.06Å; I32-Q85 WeakPolarHBondContact CD1-O 2.94Å; I32-I87 HydrophobicContact CD1-CG1 4.28Å; I32-I87 HydrophobicContact CD1-CG2 4.16Å; I32-I87 HydrophobicContact CG1-CD1 4.46Å; I32-I87 HydrophobicContact CG1-CG1 4.33Å; I32-I87 HydrophobicContact CG1-CG2 4.31Å
33	T	91.8	Very high	89.8	Confident	4 Å²	4	33 Å²	33	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	167.1	176.3	65.8	0	0	0	0	111.5	I17 R18 S35 H36 K37 L39	I17-T33 HydrophobicContact CG2-CG2 3.45Å; I17-T33 VanDerWaalsContact CG2-CG2 3.45Å; R18-T33 CarbonylContact O-C 3.45Å; R18-T33 VanDerWaalsContact O-CA 3.31Å; R18-T33 WeakPolarHBondContact O-CA 3.49Å; T33-S35 PolarHBondContact O-N 3.09Å; T33-S35 PolarHBondContact OG1-N 3.17Å; T33-S35 PolarHBondContact OG1-OG 3.24Å; T33-H36 PolarHBondContact O-N 3.19Å; T33-K37 PolarHBondContact N-O 2.88Å; T33-K37 WeakPolarHBondContact OG1-CB 3.45Å; T33-K37 PolarHBondContact OG1-N 3.38Å; T33-K37 VanDerWaalsContact OG1-N 3.1Å; T33-K37 PolarHBondContact OG1-O 2.69Å; T33-L39 HydrophobicContact CG2-CD1 3.91Å; T33-L39 HydrophobicContact CG2-CG 4.17Å
34	D	88.7	Confident	90.2	Very high	70 Å²	70	31.6 Å²	31.6	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.1	169.8	62.7	-13	0	0	0	114.2	R18 V20 H36	R18-D34 HydrophobicContact CB-CB 4.13Å; R18-D34 WeakPolarHBondContact CB-OD2 3.42Å; R18-D34 HydrophobicContact CG-CB 4.24Å; R18-D34 PolarHBondContact O-N 2.83Å; V20-D34 HydrophobicContact CG2-CB 4.06Å; D34-H36 PolarHBondContact O-N 2.87Å
35	S	88.7	Confident	90.5	Very high	64 Å²	64	29.5 Å²	29.5	45%	0.448	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	13.3	170.3	39.5	0	0	0	0	113.6	T33 K37	T33-S35 PolarHBondContact O-N 3.09Å; T33-S35 PolarHBondContact OG1-N 3.17Å; T33-S35 PolarHBondContact OG1-OG 3.24Å; S35-K37 PolarHBondContact O-N 3.2Å; S35-K37 VanDerWaalsContact O-N 3.16Å
36	H	90.2	Very high	91	Very high	59 Å²	59	30.5 Å²	30.5	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	60.3	21.5	179.4	-59.5	-73.4	0	0	0	115	T33 D34 E83 V84 Q85	T33-H36 PolarHBondContact O-N 3.19Å; D34-H36 PolarHBondContact O-N 2.87Å; H36-E83 HydrophobicContact CB-CB 3.63Å; H36-E83 HydrophobicContact CB-CG 4Å; H36-V84 PolarHBondContact ND1-O 3.41Å; H36-V84 PolarHBondContact O-N 3.37Å; H36-Q85 PolarHBondContact CE1-NE2 2.99Å
37	K	91.8	Very high	91.4	Very high	73 Å²	73	27.5 Å²	27.5	32%	0.317	15%	0.151	S	C	.	.			trans	-91.8	147.5	178.5	-65.2	176.8	167.4	-171.6	0	111.2	I32 T33 S35 E81	I32-K37 WeakPolarHBondContact CA-O 3.33Å; T33-K37 PolarHBondContact N-O 2.88Å; T33-K37 WeakPolarHBondContact OG1-CB 3.45Å; T33-K37 PolarHBondContact OG1-N 3.38Å; T33-K37 VanDerWaalsContact OG1-N 3.1Å; T33-K37 PolarHBondContact OG1-O 2.69Å; S35-K37 PolarHBondContact O-N 3.2Å; S35-K37 VanDerWaalsContact O-N 3.16Å; K37-E81 WeakPolarHBondContact CE-OE2 3.45Å; K37-E81 IonicContact NZ-OE2 3.85Å
38	V	93.8	Very high	91.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.9	179.6	-177	0	0	0	0	110	V31 M40 Q61 V62 V84 I87	V31-V38 CarbonylContact O-C 3.4Å; V31-V38 WeakPolarHBondContact O-CA 3.41Å; V38-M40 HydrophobicContact CG1-CG 3.72Å; V38-M40 HydrophobicContact CG1-SD 4.09Å; V38-Q61 CarbonylContact O-C 3.58Å; V38-Q61 VanDerWaalsContact O-CA 3.3Å; V38-Q61 WeakPolarHBondContact O-CA 3.43Å; V38-V62 HydrophobicContact CG1-CB 4.48Å; V38-V62 PolarHBondContact O-N 3.37Å; V38-V84 HydrophobicContact CG2-CB 3.65Å; V38-V84 HydrophobicContact CG2-CG1 3.71Å; V38-V84 HydrophobicContact CG2-CG2 3.63Å; V38-I87 HydrophobicContact CG1-CG2 4.28Å; V38-I87 HydrophobicContact CG2-CG2 4.1Å
39	L	94.1	Very high	92.1	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.1	171.6	-61.7	179.1	0	0	0	109.6	L14 I17 G30 V31 T33 P59 V60 Q61	L14-L39 HydrophobicContact CD2-CD1 4.23Å; I17-L39 HydrophobicContact CD1-CD1 3.9Å; I17-L39 HydrophobicContact CG2-CD1 4.48Å; G30-L39 CarbonylContact C-O 3.41Å; G30-L39 WeakPolarHBondContact CA-O 3.36Å; V31-L39 PolarHBondContact N-O 2.95Å; V31-L39 PolarHBondContact O-N 3.12Å; T33-L39 HydrophobicContact CG2-CD1 3.91Å; T33-L39 HydrophobicContact CG2-CG 4.17Å; L39-P59 HydrophobicContact CB-CB 4.22Å; L39-V60 CarbonylContact C-O 3.6Å; L39-V60 WeakPolarHBondContact CA-O 3.3Å; L39-Q61 HydrophobicContact CD2-CB 3.72Å; L39-Q61 HydrophobicContact CD2-CG 4.22Å
40	M	94.8	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.9	-178.2	-53.9	-170.4	78.1	0	0	112.9	T28 V29 V38 Q48 C49 V60 V62 I89 T94 W106	T28-M40 HydrophobicContact CG2-CE 3.98Å; V29-M40 CarbonylContact O-C 3.49Å; V29-M40 VanDerWaalsContact O-CA 3.23Å; V29-M40 WeakPolarHBondContact O-CA 3.32Å; V38-M40 HydrophobicContact CG1-CG 3.72Å; V38-M40 HydrophobicContact CG1-SD 4.09Å; M40-Q48 WeakPolarHBondContact CE-O 3.49Å; M40-C49 HydrophobicContact CB-CB 3.94Å; M40-C49 VanDerWaalsContact CB-SG 3.57Å; M40-V60 PolarHBondContact N-O 2.97Å; M40-V60 PolarHBondContact O-N 3.49Å; M40-V62 HydrophobicContact CB-CG2 4.41Å; M40-V62 HydrophobicContact CG-CG2 4.05Å; M40-V62 HydrophobicContact SD-CG2 3.92Å; M40-I89 HydrophobicContact CE-CD1 3.67Å; M40-I89 HydrophobicContact CE-CG1 3.94Å; M40-T94 HydrophobicContact CE-CG2 3.82Å; M40-T94 HydrophobicContact SD-CG2 4.21Å; M40-W106 HydrophobicContact SD-CZ2 3.64Å
41	W	92.7	Very high	91.8	Very high	40 Å²	40	28.3 Å²	28.3	15%	0.152	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-179.9	173.6	68	97.7	0	0	0	111.2	L14 V29 V31 I56 P59	L14-W41 HydrophobicContact CD1-CH2 3.72Å; L14-W41 HydrophobicContact CD1-CZ2 4.2Å; L14-W41 HydrophobicContact CD1-CZ3 4.29Å; V29-W41 HydrophobicContact CB-CD2 4.05Å; V29-W41 HydrophobicContact CB-CE3 4.45Å; V29-W41 HydrophobicContact CB-CH2 4.26Å; V29-W41 HydrophobicContact CB-CZ2 3.81Å; V29-W41 HydrophobicContact CG1-CD2 4.33Å; V29-W41 HydrophobicContact CG1-CE3 4.41Å; V29-W41 HydrophobicContact CG1-CH2 3.48Å; V29-W41 VanDerWaalsContact CG1-CH2 3.48Å; V29-W41 HydrophobicContact CG1-CZ2 3.35Å; V29-W41 HydrophobicContact CG1-CZ3 4.02Å; V29-W41 HydrophobicContact CG2-CZ2 4.42Å; V29-W41 PolarHBondContact N-O 2.9Å; V29-W41 PolarHBondContact O-N 2.87Å; V31-W41 HydrophobicContact CB-CZ3 4.19Å; V31-W41 HydrophobicContact CG2-CH2 3.5Å; V31-W41 VanDerWaalsContact CG2-CH2 3.5Å; V31-W41 HydrophobicContact CG2-CZ3 3.61Å; W41-I56 HydrophobicContact CB-CB 4.34Å; W41-I56 HydrophobicContact CB-CG2 4.12Å; W41-P59 HydrophobicContact CD2-CB 4.43Å; W41-P59 HydrophobicContact CD2-CG 4.13Å; W41-P59 HydrophobicContact CE3-CB 3.71Å; W41-P59 HydrophobicContact CE3-CG 3.76Å; W41-P59 HydrophobicContact CZ3-CB 4.12Å; W41-P59 HydrophobicContact CZ3-CG 4.06Å
42	G	89.9	Confident	91.7	Very high	9 Å²	9	32.1 Å²	32.1	9%	0.093	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.6	-150.4	-172.1	0	0	0	0	0	111.3	G27 S44 C55 I56	G27-G42 WeakPolarHBondContact O-CA 3.2Å; G42-S44 PolarHBondContact O-N 2.8Å; G42-C55 CarbonylContact O-C 3.53Å; G42-C55 WeakPolarHBondContact O-CA 3.47Å; G42-I56 WeakPolarHBondContact CA-O 3.43Å; G42-I56 PolarHBondContact N-O 2.7Å; G42-I56 PolarHBondContact O-N 3.08Å
43	R	91.2	Very high	91.5	Very high	71 Å²	71	34.5 Å²	34.5	27%	0.268	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	133	-175	-165.8	172.9	-173	115	5.9	111.3	G27 T28 D45 E54 R91	G27-R43 PolarHBondContact O-N 3.14Å; T28-R43 PolarHBondContact OG1-O 2.86Å; R43-D45 IonicContact CZ-OD2 3.3Å; R43-D45 VanDerWaalsContact CZ-OD2 3.28Å; R43-D45 IonicContact NE-OD1 3.05Å; R43-D45 PolarHBondContact NE-OD1 3.16Å; R43-D45 IonicContact NE-OD2 2.73Å; R43-D45 PolarHBondContact NE-OD2 3.26Å; R43-D45 IonicContact NH2-OD2 2.69Å; R43-D45 PolarHBondContact NH2-OD2 3.23Å; R43-E54 WeakPolarHBondContact CA-O 3.45Å; R43-E54 WeakPolarHBondContact CG-O 3.43Å; R43-R91 VanDerWaalsContact NE-NH2 3.15Å
44	S	94	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	30.1	178.9	-162.6	0	0	0	0	113.2	G42 H46 G47 Q48 C49 F51 V52 T53	G42-S44 PolarHBondContact O-N 2.8Å; S44-H46 PolarHBondContact O-N 3.44Å; S44-G47 PolarHBondContact O-N 2.92Å; S44-Q48 PolarHBondContact O-OE1 2.73Å; S44-Q48 PolarHBondContact OG-N 3.2Å; S44-C49 WeakPolarHBondContact OG-CB 3.23Å; S44-C49 PolarHBondContact OG-N 3.42Å; S44-F51 WeakPolarHBondContact CB-O 3.45Å; S44-F51 PolarHBondContact OG-O 3.41Å; S44-V52 CarbonylContact O-C 3.53Å; S44-V52 VanDerWaalsContact O-CA 3.3Å; S44-V52 WeakPolarHBondContact O-CA 3.35Å; S44-T53 CarbonylContact C-O 3.51Å; S44-T53 WeakPolarHBondContact CA-O 3.41Å; S44-T53 PolarHBondContact N-O 2.99Å; S44-T53 VanDerWaalsContact N-O 3.11Å; S44-T53 PolarHBondContact O-N 3.03Å; S44-T53 VanDerWaalsContact O-O 3.14Å
45	D	91.9	Very high	90.9	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.214	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.5	-174.1	59.2	-15.1	0	0	0	113.8	R43 Q48 V52 T53 R91	R43-D45 IonicContact CZ-OD2 3.3Å; R43-D45 VanDerWaalsContact CZ-OD2 3.28Å; R43-D45 IonicContact NE-OD1 3.05Å; R43-D45 PolarHBondContact NE-OD1 3.16Å; R43-D45 IonicContact NE-OD2 2.73Å; R43-D45 PolarHBondContact NE-OD2 3.26Å; R43-D45 IonicContact NH2-OD2 2.69Å; R43-D45 PolarHBondContact NH2-OD2 3.23Å; D45-Q48 PolarHBondContact OD1-NE2 3.02Å; D45-V52 WeakPolarHBondContact O-CG1 2.92Å; D45-T53 WeakPolarHBondContact CA-O 3.45Å; D45-T53 PolarHBondContact N-O 3.1Å; D45-R91 IonicContact OD1-CZ 2.66Å; D45-R91 IonicContact OD1-NH1 3.17Å; D45-R91 PolarHBondContact OD1-NH1 2.86Å; D45-R91 IonicContact OD1-NH2 3.95Å; D45-R91 PolarHBondContact OD1-NH2 2.84Å; D45-R91 IonicContact OD2-CZ 2.8Å; D45-R91 IonicContact OD2-NH1 3.6Å; D45-R91 PolarHBondContact OD2-NH1 2.82Å; D45-R91 IonicContact OD2-NH2 3.63Å; D45-R91 PolarHBondContact OD2-NH2 3.3Å
46	H	93.5	Very high	90.8	Very high	44 Å²	44	38.4 Å²	38.4	20%	0.204	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	15.4	173.2	-62.7	69.7	0	0	0	111.5	S44 R91 Y92 G107 T108	S44-H46 PolarHBondContact O-N 3.44Å; H46-R91 PolarHBondContact ND1-NH1 3.11Å; H46-Y92 WeakPolarHBondContact CB-O 3.09Å; H46-Y92 AromaticContact CD2-CD1 3.26Å; H46-Y92 WeakPolarHBondContact CD2-CD1 3.43Å; H46-Y92 AromaticContact CD2-CE1 3.67Å; H46-Y92 AromaticContact CG-CD1 3.96Å; H46-Y92 AromaticContact NE2-CD1 3.63Å; H46-Y92 AromaticContact NE2-CE1 3.5Å; H46-Y92 WeakPolarHBondContact NE2-CE1 3.08Å; H46-G107 CarbonylContact O-C 3.38Å; H46-G107 WeakPolarHBondContact O-CA 3.03Å; H46-T108 PolarHBondContact O-N 3.04Å; H46-T108 PolarHBondContact O-OG1 3.35Å
47	G	92.3	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	80.3	19.4	178.2	0	0	0	0	0	115.1	S44 C49 G50	S44-G47 PolarHBondContact O-N 2.92Å; G47-C49 PolarHBondContact O-N 3.34Å; G47-C49 VanDerWaalsContact O-N 3.15Å; G47-G50 PolarHBondContact O-N 3.37Å
48	Q	92.5	Very high	90	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.2	-176.2	-57.7	90.7	-38.5	0	0	113.4	T28 M40 S44 D45 R91 T94 W106	T28-Q48 HydrophobicContact CG2-CB 4.19Å; M40-Q48 WeakPolarHBondContact CE-O 3.49Å; S44-Q48 PolarHBondContact O-OE1 2.73Å; S44-Q48 PolarHBondContact OG-N 3.2Å; D45-Q48 PolarHBondContact OD1-NE2 3.02Å; Q48-R91 PolarHBondContact NE2-O 3.24Å; Q48-T94 PolarHBondContact O-OG1 3.45Å; Q48-W106 PolarHBondContact O-NE1 3.49Å
49	C	93.5	Very high	89.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	20.3	176.3	-57.1	0	0	0	0	112.9	M40 S44 G47 F51 I56 V62	M40-C49 HydrophobicContact CB-CB 3.94Å; M40-C49 VanDerWaalsContact CB-SG 3.57Å; S44-C49 WeakPolarHBondContact OG-CB 3.23Å; S44-C49 PolarHBondContact OG-N 3.42Å; G47-C49 PolarHBondContact O-N 3.34Å; G47-C49 VanDerWaalsContact O-N 3.15Å; C49-F51 HydrophobicContact CB-CE1 4.49Å; C49-F51 WeakPolarHBondContact O-CD1 3.22Å; C49-F51 WeakPolarHBondContact O-CE1 3.39Å; C49-I56 HydrophobicContact CB-CD1 3.24Å; C49-V62 WeakPolarHBondContact O-CG2 3.44Å
50	G	89.4	Confident	89.7	Confident	19 Å²	19	48.8 Å²	48.8	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	85	1.5	-180	0	0	0	0	0	114.9	G47 L117	G47-G50 PolarHBondContact O-N 3.37Å; G50-L117 WeakPolarHBondContact O-CB 3.38Å
51	F	88	Confident	89.6	Confident	75 Å²	75	52.2 Å²	52.2	33%	0.329	27%	0.266	S	S	.	.	S	Bend	trans	-156.3	152.6	172.4	55.7	-82.4	0	0	0	111.3	S44 C49 T53 I56 V60	S44-F51 WeakPolarHBondContact CB-O 3.45Å; S44-F51 PolarHBondContact OG-O 3.41Å; C49-F51 HydrophobicContact CB-CE1 4.49Å; C49-F51 WeakPolarHBondContact O-CD1 3.22Å; C49-F51 WeakPolarHBondContact O-CE1 3.39Å; F51-T53 HydrophobicContact CD2-CG2 3.86Å; F51-T53 HydrophobicContact CE2-CG2 3.57Å; F51-T53 PolarHBondContact O-N 3.47Å; F51-I56 HydrophobicContact CD2-CD1 4.4Å; F51-I56 HydrophobicContact CE1-CD1 3.77Å; F51-I56 HydrophobicContact CE2-CD1 3.53Å; F51-I56 HydrophobicContact CE2-CG1 3.71Å; F51-I56 HydrophobicContact CZ-CD1 3.16Å; F51-I56 HydrophobicContact CZ-CG1 3.66Å; F51-I56 HydrophobicContact CZ-CG2 4.4Å; F51-V60 HydrophobicContact CE1-CB 4.11Å; F51-V60 HydrophobicContact CE1-CG1 3.78Å; F51-V60 HydrophobicContact CE1-CG2 4.21Å; F51-V60 HydrophobicContact CZ-CB 4.4Å; F51-V60 HydrophobicContact CZ-CG1 4.39Å; F51-V60 HydrophobicContact CZ-CG2 4.01Å
52	V	89.9	Confident	89.5	Confident	84 Å²	84	50.8 Å²	50.8	51%	0.509	26%	0.261	S	S	.	.			trans	-83	114.8	-177	-177.1	0	0	0	0	110.6	S44 D45 A115 L117	S44-V52 CarbonylContact O-C 3.53Å; S44-V52 VanDerWaalsContact O-CA 3.3Å; S44-V52 WeakPolarHBondContact O-CA 3.35Å; D45-V52 WeakPolarHBondContact O-CG1 2.92Å; V52-A115 HydrophobicContact CG2-CB 3.99Å; V52-L117 HydrophobicContact CG2-CD2 3.91Å
53	T	89.2	Confident	89.5	Confident	52 Å²	52	53.4 Å²	53.4	32%	0.319	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	150.2	170	-175.8	0	0	0	0	110.8	S44 D45 F51 C55 I56	S44-T53 CarbonylContact C-O 3.51Å; S44-T53 WeakPolarHBondContact CA-O 3.41Å; S44-T53 PolarHBondContact N-O 2.99Å; S44-T53 VanDerWaalsContact N-O 3.11Å; S44-T53 PolarHBondContact O-N 3.03Å; S44-T53 VanDerWaalsContact O-O 3.14Å; D45-T53 WeakPolarHBondContact CA-O 3.45Å; D45-T53 PolarHBondContact N-O 3.1Å; F51-T53 HydrophobicContact CD2-CG2 3.86Å; F51-T53 HydrophobicContact CE2-CG2 3.57Å; F51-T53 PolarHBondContact O-N 3.47Å; T53-C55 PolarHBondContact O-N 3.34Å; T53-I56 HydrophobicContact CG2-CD1 3.93Å; T53-I56 HydrophobicContact CG2-CG1 3.28Å
54	E	82.1	Confident	89.5	Confident	149 Å²	149	50.1 Å²	50.1	70%	0.696	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	-44.6	-177.3	-170.7	179.9	-176.9	0	0	112.5	R43	R43-E54 WeakPolarHBondContact CA-O 3.45Å; R43-E54 WeakPolarHBondContact CG-O 3.43Å
55	C	86	Confident	88.9	Confident	56 Å²	56	52.5 Å²	52.5	38%	0.378	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	129.8	179.3	-173.1	0	0	0	0	111.7	G42 T53	G42-C55 CarbonylContact O-C 3.53Å; G42-C55 WeakPolarHBondContact O-CA 3.47Å; T53-C55 PolarHBondContact O-N 3.34Å
56	I	87	Confident	88	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.4	174.3	-58	166.2	0	0	0	107.9	W41 G42 C49 F51 T53 E58 V60	W41-I56 HydrophobicContact CB-CB 4.34Å; W41-I56 HydrophobicContact CB-CG2 4.12Å; G42-I56 WeakPolarHBondContact CA-O 3.43Å; G42-I56 PolarHBondContact N-O 2.7Å; G42-I56 PolarHBondContact O-N 3.08Å; C49-I56 HydrophobicContact CB-CD1 3.24Å; F51-I56 HydrophobicContact CD2-CD1 4.4Å; F51-I56 HydrophobicContact CE1-CD1 3.77Å; F51-I56 HydrophobicContact CE2-CD1 3.53Å; F51-I56 HydrophobicContact CE2-CG1 3.71Å; F51-I56 HydrophobicContact CZ-CD1 3.16Å; F51-I56 HydrophobicContact CZ-CG1 3.66Å; F51-I56 HydrophobicContact CZ-CG2 4.4Å; T53-I56 HydrophobicContact CG2-CD1 3.93Å; T53-I56 HydrophobicContact CG2-CG1 3.28Å; I56-E58 WeakPolarHBondContact CG2-O 3.34Å; I56-V60 HydrophobicContact CG2-CG2 3.85Å
57	K	82.3	Confident	86.6	Confident	153 Å²	153	59.3 Å²	59.3	67%	0.665	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	-23.4	-176.4	-65.7	-177	-180	-179.1	0	114
58	E	82.6	Confident	84.5	Confident	137 Å²	137	65.6 Å²	65.6	64%	0.64	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	145.5	-177.3	-64.7	-173.1	175.5	0	0	111.1	I56 V60	I56-E58 WeakPolarHBondContact CG2-O 3.34Å; E58-V60 PolarHBondContact O-N 3.16Å
59	P	90	Very high	82.1	Confident	27 Å²	27	75.1 Å²	75.1	18%	0.175	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	124.4	178.1	-22.3	32.7	0	0	0	112.4	L14 L39 W41	L14-P59 HydrophobicContact CD1-CG 4.2Å; L14-P59 HydrophobicContact CG-CG 4.21Å; L39-P59 HydrophobicContact CB-CB 4.22Å; W41-P59 HydrophobicContact CD2-CB 4.43Å; W41-P59 HydrophobicContact CD2-CG 4.13Å; W41-P59 HydrophobicContact CE3-CB 3.71Å; W41-P59 HydrophobicContact CE3-CG 3.76Å; W41-P59 HydrophobicContact CZ3-CB 4.12Å; W41-P59 HydrophobicContact CZ3-CG 4.06Å
60	V	91.2	Very high	79.5	Confident	51 Å²	51	77.8 Å²	77.8	31%	0.309	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.3	174.8	-179.4	0	0	0	0	109.9	L39 M40 F51 I56 E58	L39-V60 CarbonylContact C-O 3.6Å; L39-V60 WeakPolarHBondContact CA-O 3.3Å; M40-V60 PolarHBondContact N-O 2.97Å; M40-V60 PolarHBondContact O-N 3.49Å; F51-V60 HydrophobicContact CE1-CB 4.11Å; F51-V60 HydrophobicContact CE1-CG1 3.78Å; F51-V60 HydrophobicContact CE1-CG2 4.21Å; F51-V60 HydrophobicContact CZ-CB 4.4Å; F51-V60 HydrophobicContact CZ-CG1 4.39Å; F51-V60 HydrophobicContact CZ-CG2 4.01Å; I56-V60 HydrophobicContact CG2-CG2 3.85Å; E58-V60 PolarHBondContact O-N 3.16Å
61	Q	92.3	Very high	77.2	Confident	73 Å²	73	83.7 Å²	83.7	34%	0.341	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.8	176.3	-171.7	178.7	-33.7	0	0	111.1	V38 L39 T63 E81	V38-Q61 CarbonylContact O-C 3.58Å; V38-Q61 VanDerWaalsContact O-CA 3.3Å; V38-Q61 WeakPolarHBondContact O-CA 3.43Å; L39-Q61 HydrophobicContact CD2-CB 3.72Å; L39-Q61 HydrophobicContact CD2-CG 4.22Å; Q61-T63 PolarHBondContact NE2-OG1 2.91Å; Q61-E81 PolarHBondContact NE2-OE1 2.91Å
62	V	91.5	Very high	75	Confident	9 Å²	9	88.3 Å²	88.3	6%	0.055	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.9	169	-177.4	0	0	0	0	107.9	V38 M40 C49 W106 P119	V38-V62 HydrophobicContact CG1-CB 4.48Å; V38-V62 PolarHBondContact O-N 3.37Å; M40-V62 HydrophobicContact CB-CG2 4.41Å; M40-V62 HydrophobicContact CG-CG2 4.05Å; M40-V62 HydrophobicContact SD-CG2 3.92Å; C49-V62 WeakPolarHBondContact O-CG2 3.44Å; V62-W106 HydrophobicContact CB-CZ2 4.44Å; V62-W106 HydrophobicContact CG1-CD2 4.28Å; V62-W106 HydrophobicContact CG1-CZ2 3.98Å; V62-P119 HydrophobicContact CG1-CG 3.81Å
63	T	89.7	Confident	72.8	Confident	64 Å²	64	89.3 Å²	89.3	39%	0.393	47%	0.471	S	S	.	.			trans	-87.4	127.4	-179.9	-68.4	0	0	0	0	110.7	Q61 C65 E81	Q61-T63 PolarHBondContact NE2-OG1 2.91Å; T63-C65 VanDerWaalsContact CG2-SG 3.52Å; T63-E81 HydrophobicContact CG2-CG 4.11Å; T63-E81 WeakPolarHBondContact CG2-OE1 3.17Å; T63-E81 PolarHBondContact OG1-OE1 3.02Å; T63-E81 VanDerWaalsContact OG1-OE1 3.1Å
64	I	89.8	Confident	70.4	Confident	2 Å²	2	89.7 Å²	89.7	1%	0.01	48%	0.475	C	S	.	.			trans	-105.6	119.6	176	-54.5	-177	0	0	0	107.9	E81 V82 V84 A96 W104 W106 P119	I64-E81 WeakPolarHBondContact O-CA 3.4Å; I64-V82 HydrophobicContact CB-CB 4.02Å; I64-V82 HydrophobicContact CB-CG2 4.48Å; I64-V82 HydrophobicContact CG2-CB 3.8Å; I64-V82 HydrophobicContact CG2-CG1 4.34Å; I64-V82 HydrophobicContact CG2-CG2 3.89Å; I64-V82 PolarHBondContact O-N 3Å; I64-V84 HydrophobicContact CD1-CG2 3.59Å; I64-A96 HydrophobicContact CD1-CB 4.23Å; I64-W104 HydrophobicContact CD1-CB 4.32Å; I64-W104 HydrophobicContact CD1-CG 4.47Å; I64-W104 HydrophobicContact CG2-CD2 3.51Å; I64-W104 HydrophobicContact CG2-CE3 3.39Å; I64-W104 HydrophobicContact CG2-CG 4.12Å; I64-W104 HydrophobicContact CG2-CH2 3.95Å; I64-W104 HydrophobicContact CG2-CZ2 4.06Å; I64-W104 HydrophobicContact CG2-CZ3 3.62Å; I64-W106 HydrophobicContact CD1-CH2 4.42Å; I64-W106 HydrophobicContact CD1-CZ3 3.93Å; I64-P119 HydrophobicContact CB-CB 4.38Å; I64-P119 HydrophobicContact CD1-CB 4.47Å; I64-P119 HydrophobicContact CG1-CB 3.87Å; I64-P119 HydrophobicContact CG1-CG 3.98Å; I64-P119 HydrophobicContact CG2-CB 4.19Å
65	C	81.4	Confident	68.5	Low	50 Å²	50	91.1 Å²	91.1	34%	0.338	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-122.5	141	179.3	-66.6	0	0	0	0	111.1	T63 K67 H79	T63-C65 VanDerWaalsContact CG2-SG 3.52Å; C65-K67 PolarHBondContact O-N 3.39Å; C65-H79 HydrophobicContact CB-CB 4Å
66	V	74.1	Confident	66.3	Low	57 Å²	57	98.3 Å²	98.3	35%	0.345	51%	0.506	S	S	.	.			trans	-80.3	112.1	170.6	-173.4	0	0	0	0	109.1	E68 H79 V82 W104	V66-E68 HydrophobicContact CG1-CG 4.44Å; V66-E68 PolarHBondContact O-N 3.15Å; V66-H79 PolarHBondContact O-ND1 2.79Å; V66-V82 HydrophobicContact CG2-CG2 3.62Å; V66-W104 HydrophobicContact CG2-CH2 4.24Å; V66-W104 HydrophobicContact CG2-CZ2 4.25Å
67	K	63.5	Low	64.3	Low	170 Å²	170	101.6 Å²	101.6	74%	0.739	53%	0.527	S	S	*	.			trans	-76.8	98.1	165.3	-77.7	-174.9	178.1	179.6	0	108.5	C65	C65-K67 PolarHBondContact O-N 3.39Å
68	E	48.9	Very low	62.6	Low	133 Å²	133	99.8 Å²	99.8	62%	0.621	53%	0.534	S	S	*	.			trans	-67.9	136.4	162	-69.3	-174.4	167.2	0	0	108.6	V66 C70	V66-E68 HydrophobicContact CG1-CG 4.44Å; V66-E68 PolarHBondContact O-N 3.15Å; E68-C70 PolarHBondContact O-N 2.9Å
69	M	41.6	Very low	61.5	Low	200 Å²	200	97.2 Å²	97.2	99%	0.985	52%	0.522	S	S	*	.			trans	-65.8	81.6	167.5	-72.5	-174.3	179	0	0	108
70	C	39.7	Very low	60.6	Low	57 Å²	57	99.9 Å²	99.9	39%	0.385	54%	0.539	S	S	.	.			trans	-82.5	127.2	166.4	-60.9	0	0	0	0	107.8	E68	E68-C70 PolarHBondContact O-N 2.9Å
71	D	39.9	Very low	60.1	Low	144 Å²	144	101.2 Å²	101.2	77%	0.77	54%	0.542	S	S	*	.			trans	-47.5	140	162.1	-69.2	-38.8	0	0	0	109	S73	D71-S73 PolarHBondContact O-N 3.48Å
72	D	42.4	Very low	59.9	Low	172 Å²	172	98.7 Å²	98.7	92%	0.92	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	14.3	-170.6	-80.5	-36	0	0	0	117.1
73	S	43.1	Very low	59.9	Low	105 Å²	105	102.9 Å²	102.9	73%	0.734	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-4.3	-176.7	65.9	0	0	0	0	115.9	D71	D71-S73 PolarHBondContact O-N 3.48Å
74	C	39.4	Very low	60.1	Low	59 Å²	59	100 Å²	100	40%	0.399	53%	0.532	S	S	.	.			trans	-102.8	99.1	178.6	95.8	0	0	0	0	112.6	T77	C74-T77 PolarHBondContact SG-OG1 2.77Å; C74-T77 VanDerWaalsContact SG-OG1 3.38Å
75	H	42	Very low	60.2	Low	179 Å²	179	104.6 Å²	104.6	83%	0.829	55%	0.554	S	S	*	*			trans	-85.8	116.1	162.5	-65	-58.1	0	0	0	108
76	K	39.2	Very low	60.7	Low	208 Å²	208	107.2 Å²	107.2	90%	0.904	56%	0.56	S	S	*	*			trans	109.4	31.4	165.7	-57.2	176.8	174.9	-179.2	0	119.5
77	T	45.6	Very low	61.7	Low	83 Å²	83	104.9 Å²	104.9	51%	0.509	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-92.7	119	165.6	44.6	0	0	0	0	110.6	C74 H79	C74-T77 PolarHBondContact SG-OG1 2.77Å; C74-T77 VanDerWaalsContact SG-OG1 3.38Å; T77-H79 PolarHBondContact O-N 2.76Å
78	S	47.6	Very low	63.1	Low	115 Å²	115	97.4 Å²	97.4	80%	0.804	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-64.9	116.4	166.2	52.8	0	0	0	0	108.3
79	H	58.5	Low	65.3	Low	84 Å²	84	91.1 Å²	91.1	39%	0.389	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.8	173.1	-64.8	-69.3	0	0	0	109.4	C65 V66 T77 E81	C65-H79 HydrophobicContact CB-CB 4Å; V66-H79 PolarHBondContact O-ND1 2.79Å; T77-H79 PolarHBondContact O-N 2.76Å; H79-E81 PolarHBondContact O-N 2.81Å
80	P	70.9	Confident	67.8	Low	83 Å²	83	81.6 Å²	81.6	54%	0.539	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.2	176.6	24.5	-31.3	0	0	0	110.2
81	E	81.5	Confident	70.3	Confident	78 Å²	78	80.7 Å²	80.7	36%	0.364	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-73.5	136.2	174.2	-173	167.1	-149.2	0	0	109	K37 Q61 T63 I64 H79	K37-E81 WeakPolarHBondContact CE-OE2 3.45Å; K37-E81 IonicContact NZ-OE2 3.85Å; Q61-E81 PolarHBondContact NE2-OE1 2.91Å; T63-E81 HydrophobicContact CG2-CG 4.11Å; T63-E81 WeakPolarHBondContact CG2-OE1 3.17Å; T63-E81 PolarHBondContact OG1-OE1 3.02Å; T63-E81 VanDerWaalsContact OG1-OE1 3.1Å; I64-E81 WeakPolarHBondContact O-CA 3.4Å; H79-E81 PolarHBondContact O-N 2.81Å
82	V	87.9	Confident	72.9	Confident	20 Å²	20	74.5 Å²	74.5	12%	0.121	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-84.5	131.5	-177.2	177.1	0	0	0	0	110	I64 V66 D98 W104	I64-V82 HydrophobicContact CB-CB 4.02Å; I64-V82 HydrophobicContact CB-CG2 4.48Å; I64-V82 HydrophobicContact CG2-CB 3.8Å; I64-V82 HydrophobicContact CG2-CG1 4.34Å; I64-V82 HydrophobicContact CG2-CG2 3.89Å; I64-V82 PolarHBondContact O-N 3Å; V66-V82 HydrophobicContact CG2-CG2 3.62Å; V82-D98 HydrophobicContact CG1-CB 3.27Å; V82-W104 HydrophobicContact CG2-CH2 4.35Å; V82-W104 HydrophobicContact CG2-CZ2 3.88Å
83	E	92	Very high	75.3	Confident	98 Å²	98	66.3 Å²	66.3	46%	0.458	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-80.5	117.9	176.9	-66.4	179.3	165.7	0	0	111.1	H36 D98 S99	H36-E83 HydrophobicContact CB-CB 3.63Å; H36-E83 HydrophobicContact CB-CG 4Å; E83-D98 CarbonylContact O-C 3.04Å; E83-D98 WeakPolarHBondContact O-CA 3.5Å; E83-D98 WeakPolarHBondContact O-CB 3.48Å; E83-S99 PolarHBondContact O-N 3.01Å
84	V	93.3	Very high	77.9	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.5	-178.6	-179.3	0	0	0	0	111.4	I32 H36 V38 I64 I87 A96	I32-V84 HydrophobicContact CD1-CG1 4.06Å; H36-V84 PolarHBondContact ND1-O 3.41Å; H36-V84 PolarHBondContact O-N 3.37Å; V38-V84 HydrophobicContact CG2-CB 3.65Å; V38-V84 HydrophobicContact CG2-CG1 3.71Å; V38-V84 HydrophobicContact CG2-CG2 3.63Å; I64-V84 HydrophobicContact CD1-CG2 3.59Å; V84-I87 HydrophobicContact CG1-CG2 3.82Å; V84-A96 HydrophobicContact CG1-CB 3.93Å
85	Q	91.3	Very high	80.6	Confident	99 Å²	99	58.5 Å²	58.5	46%	0.463	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-39.3	178.7	-71.1	-71.3	-32.7	0	0	112.4	I32 H36 I97	I32-Q85 WeakPolarHBondContact CD1-O 2.94Å; H36-Q85 PolarHBondContact CE1-NE2 2.99Å; Q85-I97 PolarHBondContact N-O 3.03Å
86	K	92.4	Very high	83.2	Confident	106 Å²	106	50 Å²	50	46%	0.461	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.8	-177	-162.3	162.7	-175.6	169	0	111.2	A96 I97	K86-A96 CarbonylContact O-C 3.58Å; K86-A96 VanDerWaalsContact O-CA 3.25Å; K86-A96 WeakPolarHBondContact O-CA 3.38Å; K86-I97 HydrophobicContact CB-CB 4.46Å; K86-I97 PolarHBondContact N-O 3.35Å; K86-I97 PolarHBondContact O-N 2.81Å
87	I	94.5	Very high	85.9	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.3	173.7	59.2	171.7	0	0	0	110.1	C23 G30 I32 V38 V84 I89 L95 A96	C23-I87 HydrophobicContact CB-CD1 3.88Å; C23-I87 HydrophobicContact CB-CG1 3.71Å; G30-I87 VanDerWaalsContact C-CD1 3.45Å; I32-I87 HydrophobicContact CD1-CG1 4.28Å; I32-I87 HydrophobicContact CD1-CG2 4.16Å; I32-I87 HydrophobicContact CG1-CD1 4.46Å; I32-I87 HydrophobicContact CG1-CG1 4.33Å; I32-I87 HydrophobicContact CG1-CG2 4.31Å; V38-I87 HydrophobicContact CG1-CG2 4.28Å; V38-I87 HydrophobicContact CG2-CG2 4.1Å; V84-I87 HydrophobicContact CG1-CG2 3.82Å; I87-I89 HydrophobicContact CD1-CD1 4.44Å; I87-L95 CarbonylContact C-O 3.6Å; I87-L95 VanDerWaalsContact CA-O 3.24Å; I87-L95 WeakPolarHBondContact CA-O 3.36Å; I87-A96 HydrophobicContact CG2-CB 4.03Å
88	S	94.7	Very high	88.1	Confident	12 Å²	12	36.9 Å²	36.9	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.6	172.3	-178.5	0	0	0	0	108.8	L95 S135	S88-L95 PolarHBondContact N-O 2.86Å; S88-L95 PolarHBondContact O-N 2.92Å; S88-S135 WeakPolarHBondContact CB-OG 3.18Å; S88-S135 WeakPolarHBondContact OG-CB 3.24Å; S88-S135 PolarHBondContact OG-N 3.04Å; S88-S135 VanDerWaalsContact OG-N 3.07Å; S88-S135 PolarHBondContact OG-OG 2.69Å
89	I	94.1	Very high	90.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.9	-168.8	-58	169.6	0	0	0	109.2	C23 A25 T28 M40 I87 T94	C23-I89 HydrophobicContact CB-CD1 4.06Å; C23-I89 HydrophobicContact CB-CG1 4.45Å; C23-I89 WeakPolarHBondContact O-CD1 3.39Å; A25-I89 HydrophobicContact CB-CB 4.04Å; A25-I89 HydrophobicContact CB-CG2 4.25Å; A25-I89 WeakPolarHBondContact CB-O 3.34Å; T28-I89 HydrophobicContact CG2-CD1 4.46Å; T28-I89 HydrophobicContact CG2-CG2 4.18Å; M40-I89 HydrophobicContact CE-CD1 3.67Å; M40-I89 HydrophobicContact CE-CG1 3.94Å; I87-I89 HydrophobicContact CD1-CD1 4.44Å; I89-T94 HydrophobicContact CG1-CG2 4.01Å
90	S	93.9	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.			trans	-108	-177.9	171.4	89.7	0	0	0	0	111.5	F26 Y92 Q93 G136 Y140	F26-S90 VanDerWaalsContact CD2-C 3.48Å; S90-Y92 PolarHBondContact O-N 2.93Å; S90-Y92 PolarHBondContact OG-N 2.88Å; S90-Q93 WeakPolarHBondContact CB-O 3.33Å; S90-Q93 PolarHBondContact N-O 3.35Å; S90-Q93 PolarHBondContact OG-N 2.81Å; S90-Q93 PolarHBondContact OG-O 3.4Å; S90-G136 VanDerWaalsContact CB-O 3.24Å; S90-G136 WeakPolarHBondContact CB-O 3.21Å; S90-Y140 WeakPolarHBondContact OG-CE1 3.45Å; S90-Y140 PolarHBondContact OG-OH 2.87Å; S90-Y140 VanDerWaalsContact OG-OH 3.07Å
91	R	92.8	Very high	92.7	Very high	38 Å²	38	32.5 Å²	32.5	14%	0.143	17%	0.168	C	C	.	.	S	Bend	trans	-64.1	-26.6	171.9	-178.3	64.2	-171.2	95.6	5.6	112.4	F26 R43 D45 H46 Q48 F137	F26-R91 HydrophobicContact CB-CB 4.46Å; F26-R91 HydrophobicContact CD1-CB 4.46Å; F26-R91 HydrophobicContact CD2-CB 4.48Å; F26-R91 HydrophobicContact CG-CB 4.2Å; R43-R91 VanDerWaalsContact NE-NH2 3.15Å; D45-R91 IonicContact OD1-CZ 2.66Å; D45-R91 IonicContact OD1-NH1 3.17Å; D45-R91 PolarHBondContact OD1-NH1 2.86Å; D45-R91 IonicContact OD1-NH2 3.95Å; D45-R91 PolarHBondContact OD1-NH2 2.84Å; D45-R91 IonicContact OD2-CZ 2.8Å; D45-R91 IonicContact OD2-NH1 3.6Å; D45-R91 PolarHBondContact OD2-NH1 2.82Å; D45-R91 IonicContact OD2-NH2 3.63Å; D45-R91 PolarHBondContact OD2-NH2 3.3Å; H46-R91 PolarHBondContact ND1-NH1 3.11Å; Q48-R91 PolarHBondContact NE2-O 3.24Å; R91-F137 HydrophobicContact CB-CD1 4.5Å; R91-F137 HydrophobicContact CB-CD2 3.97Å; R91-F137 HydrophobicContact CB-CE1 4.48Å; R91-F137 HydrophobicContact CB-CE2 3.95Å; R91-F137 HydrophobicContact CB-CG 4.26Å; R91-F137 HydrophobicContact CB-CZ 4.21Å; R91-F137 WeakPolarHBondContact CB-O 3.28Å; R91-F137 HydrophobicContact CG-CD2 4.31Å; R91-F137 HydrophobicContact CG-CE1 4.31Å; R91-F137 HydrophobicContact CG-CE2 3.76Å; R91-F137 HydrophobicContact CG-CZ 3.76Å; R91-F137 PolarHBondContact N-O 2.94Å
92	Y	93.7	Very high	93.3	Very high	13 Å²	13	29 Å²	29	5%	0.051	15%	0.152	C	C	.	.	S	Bend	trans	-117.4	-38.1	-168.1	-61.8	-84.3	0	0	0	113.4	H46 S90 T108 E111 F137 L326	H46-Y92 WeakPolarHBondContact CB-O 3.09Å; H46-Y92 AromaticContact CD2-CD1 3.26Å; H46-Y92 WeakPolarHBondContact CD2-CD1 3.43Å; H46-Y92 AromaticContact CD2-CE1 3.67Å; H46-Y92 AromaticContact CG-CD1 3.96Å; H46-Y92 AromaticContact NE2-CD1 3.63Å; H46-Y92 AromaticContact NE2-CE1 3.5Å; H46-Y92 WeakPolarHBondContact NE2-CE1 3.08Å; S90-Y92 PolarHBondContact O-N 2.93Å; S90-Y92 PolarHBondContact OG-N 2.88Å; Y92-T108 CarbonylContact C-O 3.47Å; Y92-T108 WeakPolarHBondContact CB-O 2.94Å; Y92-T108 HydrophobicContact CD1-CG2 4.42Å; Y92-T108 PolarHBondContact O-N 2.79Å; Y92-E111 HydrophobicContact CE1-CB 3.97Å; Y92-E111 HydrophobicContact CE1-CG 4.22Å; Y92-F137 WeakPolarHBondContact CD2-O 3.37Å; Y92-F137 AromaticContact CE2-CD1 3.88Å; Y92-F137 HydrophobicContact CE2-CD1 3.88Å; Y92-F137 AromaticContact CE2-CE1 3.62Å; Y92-F137 HydrophobicContact CE2-CE1 3.62Å; Y92-F137 HydrophobicContact CE2-CZ 4.39Å; Y92-L326 HydrophobicContact CE2-CD1 4.05Å
93	Q	94.1	Very high	93.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.8	-171	-155.8	177.7	36.2	0	0	110.9	S90 A105 W106 Y120 Y140	S90-Q93 WeakPolarHBondContact CB-O 3.33Å; S90-Q93 PolarHBondContact N-O 3.35Å; S90-Q93 PolarHBondContact OG-N 2.81Å; S90-Q93 PolarHBondContact OG-O 3.4Å; Q93-A105 HydrophobicContact CG-CB 4.46Å; Q93-W106 CarbonylContact C-O 3.39Å; Q93-W106 WeakPolarHBondContact CA-O 3.41Å; Q93-W106 WeakPolarHBondContact CG-O 3.32Å; Q93-Y120 PolarHBondContact NE2-OH 2.88Å; Q93-Y140 HydrophobicContact CB-CE1 3.85Å; Q93-Y140 WeakPolarHBondContact CB-OH 3.3Å
94	T	96.7	Very high	93.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.9	169.2	-55.7	0	0	0	0	109.1	M40 Q48 I89 A105 W106	M40-T94 HydrophobicContact CE-CG2 3.82Å; M40-T94 HydrophobicContact SD-CG2 4.21Å; Q48-T94 PolarHBondContact O-OG1 3.45Å; I89-T94 HydrophobicContact CG1-CG2 4.01Å; T94-A105 WeakPolarHBondContact O-CA 3.4Å; T94-W106 VanDerWaalsContact CB-CE2 3.48Å; T94-W106 HydrophobicContact CG2-CD2 4.5Å; T94-W106 HydrophobicContact CG2-CH2 3.66Å; T94-W106 HydrophobicContact CG2-CZ2 3.23Å; T94-W106 HydrophobicContact CG2-CZ3 4.43Å; T94-W106 PolarHBondContact N-O 3.04Å; T94-W106 PolarHBondContact O-N 2.96Å
95	L	97.1	Very high	93.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.3	175	-58.1	-176.1	0	0	0	110.1	I87 S88 L103 W104 A105 V133 Y140 W324	I87-L95 CarbonylContact C-O 3.6Å; I87-L95 VanDerWaalsContact CA-O 3.24Å; I87-L95 WeakPolarHBondContact CA-O 3.36Å; S88-L95 PolarHBondContact N-O 2.86Å; S88-L95 PolarHBondContact O-N 2.92Å; L95-L103 HydrophobicContact CB-CD1 4.32Å; L95-W104 CarbonylContact C-O 3.54Å; L95-W104 WeakPolarHBondContact CA-O 3.46Å; L95-A105 HydrophobicContact CD2-CB 3.5Å; L95-V133 HydrophobicContact CB-CG2 3.89Å; L95-V133 HydrophobicContact CD1-CG2 3.53Å; L95-V133 HydrophobicContact CG-CG2 4.37Å; L95-Y140 HydrophobicContact CD1-CD1 3.61Å; L95-Y140 HydrophobicContact CD1-CG 4.05Å; L95-Y140 HydrophobicContact CG-CD1 4.07Å; L95-W324 HydrophobicContact CD1-CH2 3.91Å; L95-W324 HydrophobicContact CD1-CZ2 3.7Å; L95-W324 HydrophobicContact CD2-CZ2 4.05Å
96	A	96.2	Very high	94.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.4	175.7	0	0	0	0	0	111.8	I64 V84 K86 I87 W104 W106	I64-A96 HydrophobicContact CD1-CB 4.23Å; V84-A96 HydrophobicContact CG1-CB 3.93Å; K86-A96 CarbonylContact O-C 3.58Å; K86-A96 VanDerWaalsContact O-CA 3.25Å; K86-A96 WeakPolarHBondContact O-CA 3.38Å; I87-A96 HydrophobicContact CG2-CB 4.03Å; A96-W104 HydrophobicContact CB-CB 4.37Å; A96-W104 PolarHBondContact N-O 2.8Å; A96-W104 PolarHBondContact O-N 2.92Å; A96-W106 HydrophobicContact CB-CH2 3.82Å; A96-W106 HydrophobicContact CB-CZ3 3.64Å
97	I	94.8	Very high	94.3	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.041	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.8	171.3	-57.5	174.1	0	0	0	107.7	Q85 K86 A102 L103 V130 V133	Q85-I97 PolarHBondContact N-O 3.03Å; K86-I97 HydrophobicContact CB-CB 4.46Å; K86-I97 PolarHBondContact N-O 3.35Å; K86-I97 PolarHBondContact O-N 2.81Å; I97-A102 WeakPolarHBondContact CA-O 3.35Å; I97-L103 HydrophobicContact CG1-CD1 4.34Å; I97-V130 HydrophobicContact CD1-CB 4.5Å; I97-V130 HydrophobicContact CD1-CG1 3.76Å; I97-V130 HydrophobicContact CG1-CG1 4.1Å; I97-V133 HydrophobicContact CD1-CB 4.03Å; I97-V133 HydrophobicContact CD1-CG1 3.62Å; I97-V133 HydrophobicContact CG1-CB 4.44Å; I97-V133 HydrophobicContact CG1-CG1 3.93Å
98	D	93	Very high	94.3	Very high	9 Å²	9	14.3 Å²	14.3	5%	0.048	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	173.7	175.7	70.9	19.9	0	0	0	113.5	V82 E83 S100 N101 A102 W104	V82-D98 HydrophobicContact CG1-CB 3.27Å; E83-D98 CarbonylContact O-C 3.04Å; E83-D98 WeakPolarHBondContact O-CA 3.5Å; E83-D98 WeakPolarHBondContact O-CB 3.48Å; D98-S100 VanDerWaalsContact CG-OG 3.27Å; D98-S100 PolarHBondContact O-N 2.97Å; D98-S100 VanDerWaalsContact O-N 3.14Å; D98-S100 VanDerWaalsContact OD1-CA 3.26Å; D98-S100 WeakPolarHBondContact OD1-CA 3.44Å; D98-S100 WeakPolarHBondContact OD1-CB 3.3Å; D98-S100 PolarHBondContact OD1-N 2.79Å; D98-S100 PolarHBondContact OD1-OG 2.86Å; D98-S100 PolarHBondContact OD2-OG 3.34Å; D98-N101 PolarHBondContact O-N 3.14Å; D98-N101 PolarHBondContact OD1-N 2.8Å; D98-N101 VanDerWaalsContact OD1-N 3.13Å; D98-A102 PolarHBondContact N-O 3.44Å; D98-A102 VanDerWaalsContact N-O 3.07Å; D98-A102 WeakPolarHBondContact OD1-CB 3.43Å; D98-A102 PolarHBondContact OD1-N 3.33Å; D98-A102 WeakPolarHBondContact OD2-CB 3.32Å; D98-W104 PolarHBondContact OD2-NE1 3.14Å
99	S	90.8	Very high	93.9	Very high	62 Å²	62	14.6 Å²	14.6	43%	0.434	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.9	176.9	56.6	0	0	0	0	114.2	E83 N101	E83-S99 PolarHBondContact O-N 3.01Å; S99-N101 VanDerWaalsContact C-N 3.33Å
100	S	90	Very high	93.6	Very high	65 Å²	65	15.4 Å²	15.4	46%	0.455	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.7	173.1	80.6	0	0	0	0	113.7	D98 A102	D98-S100 VanDerWaalsContact CG-OG 3.27Å; D98-S100 PolarHBondContact O-N 2.97Å; D98-S100 VanDerWaalsContact O-N 3.14Å; D98-S100 VanDerWaalsContact OD1-CA 3.26Å; D98-S100 WeakPolarHBondContact OD1-CA 3.44Å; D98-S100 WeakPolarHBondContact OD1-CB 3.3Å; D98-S100 PolarHBondContact OD1-N 2.79Å; D98-S100 PolarHBondContact OD1-OG 2.86Å; D98-S100 PolarHBondContact OD2-OG 3.34Å; S100-A102 VanDerWaalsContact C-N 3.26Å; S100-A102 PolarHBondContact O-N 3.45Å
101	N	92.3	Very high	92.9	Very high	62 Å²	62	20.4 Å²	20.4	33%	0.332	11%	0.113	S	C	.	.	S	Bend	trans	62.3	28.5	-172.1	-56.8	-68.4	0	0	0	113.9	D98 S99 H129 V130	D98-N101 PolarHBondContact O-N 3.14Å; D98-N101 PolarHBondContact OD1-N 2.8Å; D98-N101 VanDerWaalsContact OD1-N 3.13Å; S99-N101 VanDerWaalsContact C-N 3.33Å; N101-H129 HydrophobicContact CB-CB 4.1Å; N101-V130 WeakPolarHBondContact O-CB 3.5Å; N101-V130 PolarHBondContact O-N 3.41Å; N101-V130 PolarHBondContact OD1-O 3.02Å
102	A	93	Very high	92.3	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	15%	0.145	C	C	.	.			trans	-92.7	148.1	173	0	0	0	0	0	111.9	I97 D98 S100 R121	I97-A102 WeakPolarHBondContact CA-O 3.35Å; D98-A102 PolarHBondContact N-O 3.44Å; D98-A102 VanDerWaalsContact N-O 3.07Å; D98-A102 WeakPolarHBondContact OD1-CB 3.43Å; D98-A102 PolarHBondContact OD1-N 3.33Å; D98-A102 WeakPolarHBondContact OD2-CB 3.32Å; S100-A102 VanDerWaalsContact C-N 3.26Å; S100-A102 PolarHBondContact O-N 3.45Å; A102-R121 VanDerWaalsContact CB-NH2 3.29Å
103	L	96	Very high	92	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	-179.7	-170.8	71.8	0	0	0	112	L95 I97 V122 L125 V130 V133 V142 W324	L95-L103 HydrophobicContact CB-CD1 4.32Å; I97-L103 HydrophobicContact CG1-CD1 4.34Å; L103-V122 HydrophobicContact CB-CB 4.32Å; L103-V122 HydrophobicContact CB-CG2 4.42Å; L103-V122 HydrophobicContact CD2-CB 4.01Å; L103-V122 HydrophobicContact CD2-CG1 4.28Å; L103-V122 HydrophobicContact CD2-CG2 3.81Å; L103-V122 HydrophobicContact CG-CB 4.32Å; L103-V122 HydrophobicContact CG-CG2 3.97Å; L103-V122 PolarHBondContact O-N 3.32Å; L103-L125 HydrophobicContact CD2-CD1 3.72Å; L103-V130 HydrophobicContact CB-CG2 4.05Å; L103-V133 HydrophobicContact CD1-CG2 4.46Å; L103-V142 HydrophobicContact CD1-CG1 4.32Å; L103-V142 HydrophobicContact CD2-CG1 4.1Å; L103-W324 HydrophobicContact CD2-CH2 3.62Å; L103-W324 HydrophobicContact CD2-CZ2 4.16Å
104	W	95.7	Very high	91.7	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.049	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.5	174.8	-65.2	83.9	0	0	0	110.5	I64 V66 V82 L95 A96 D98 P119 Y120 R121	I64-W104 HydrophobicContact CD1-CB 4.32Å; I64-W104 HydrophobicContact CD1-CG 4.47Å; I64-W104 HydrophobicContact CG2-CD2 3.51Å; I64-W104 HydrophobicContact CG2-CE3 3.39Å; I64-W104 HydrophobicContact CG2-CG 4.12Å; I64-W104 HydrophobicContact CG2-CH2 3.95Å; I64-W104 HydrophobicContact CG2-CZ2 4.06Å; I64-W104 HydrophobicContact CG2-CZ3 3.62Å; V66-W104 HydrophobicContact CG2-CH2 4.24Å; V66-W104 HydrophobicContact CG2-CZ2 4.25Å; V82-W104 HydrophobicContact CG2-CH2 4.35Å; V82-W104 HydrophobicContact CG2-CZ2 3.88Å; L95-W104 CarbonylContact C-O 3.54Å; L95-W104 WeakPolarHBondContact CA-O 3.46Å; A96-W104 HydrophobicContact CB-CB 4.37Å; A96-W104 PolarHBondContact N-O 2.8Å; A96-W104 PolarHBondContact O-N 2.92Å; D98-W104 PolarHBondContact OD2-NE1 3.14Å; W104-P119 HydrophobicContact CE3-CB 4.43Å; W104-Y120 CarbonylContact C-O 3.53Å; W104-Y120 WeakPolarHBondContact CA-O 3.24Å; W104-R121 HydrophobicContact CD2-CB 4.25Å; W104-R121 HydrophobicContact CE3-CB 4.12Å; W104-R121 HydrophobicContact CH2-CB 4.14Å; W104-R121 HydrophobicContact CZ2-CB 4.24Å; W104-R121 HydrophobicContact CZ2-CG 4.44Å; W104-R121 HydrophobicContact CZ3-CB 4.07Å
105	A	95.8	Very high	91.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.1	-180	0	0	0	0	0	112.2	Q93 T94 L95 P119 Y120 V122	Q93-A105 HydrophobicContact CG-CB 4.46Å; T94-A105 WeakPolarHBondContact O-CA 3.4Å; L95-A105 HydrophobicContact CD2-CB 3.5Å; A105-P119 WeakPolarHBondContact O-CA 3.26Å; A105-Y120 HydrophobicContact CB-CE1 3.88Å; A105-Y120 HydrophobicContact CB-CE2 4.36Å; A105-Y120 PolarHBondContact N-O 3.42Å; A105-Y120 WeakPolarHBondContact O-CD1 3.49Å; A105-Y120 VanDerWaalsContact O-CE1 3.32Å; A105-Y120 WeakPolarHBondContact O-CE1 3.43Å; A105-Y120 PolarHBondContact O-N 2.89Å; A105-V122 HydrophobicContact CB-CG2 3.92Å
106	W	96.2	Very high	91.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.9	169.7	63.7	94.4	0	0	0	111.4	M40 Q48 V62 I64 Q93 T94 A96 I116 P119	M40-W106 HydrophobicContact SD-CZ2 3.64Å; Q48-W106 PolarHBondContact O-NE1 3.49Å; V62-W106 HydrophobicContact CB-CZ2 4.44Å; V62-W106 HydrophobicContact CG1-CD2 4.28Å; V62-W106 HydrophobicContact CG1-CZ2 3.98Å; I64-W106 HydrophobicContact CD1-CH2 4.42Å; I64-W106 HydrophobicContact CD1-CZ3 3.93Å; Q93-W106 CarbonylContact C-O 3.39Å; Q93-W106 WeakPolarHBondContact CA-O 3.41Å; Q93-W106 WeakPolarHBondContact CG-O 3.32Å; T94-W106 VanDerWaalsContact CB-CE2 3.48Å; T94-W106 HydrophobicContact CG2-CD2 4.5Å; T94-W106 HydrophobicContact CG2-CH2 3.66Å; T94-W106 HydrophobicContact CG2-CZ2 3.23Å; T94-W106 HydrophobicContact CG2-CZ3 4.43Å; T94-W106 PolarHBondContact N-O 3.04Å; T94-W106 PolarHBondContact O-N 2.96Å; A96-W106 HydrophobicContact CB-CH2 3.82Å; A96-W106 HydrophobicContact CB-CZ3 3.64Å; W106-I116 CarbonylContact C-O 3.6Å; W106-I116 WeakPolarHBondContact CA-O 3.39Å; W106-I116 WeakPolarHBondContact CB-O 3.31Å; W106-P119 HydrophobicContact CB-CG 4.28Å; W106-P119 HydrophobicContact CD2-CG 4.14Å; W106-P119 HydrophobicContact CE3-CB 3.95Å; W106-P119 HydrophobicContact CE3-CG 3.99Å; W106-P119 HydrophobicContact CG-CG 4.29Å
107	G	94.9	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.2	-160.6	-169.2	0	0	0	0	0	111.5	H46 P109 I116	H46-G107 CarbonylContact O-C 3.38Å; H46-G107 WeakPolarHBondContact O-CA 3.03Å; G107-P109 WeakPolarHBondContact O-CD 3.28Å; G107-I116 PolarHBondContact N-O 3.1Å; G107-I116 PolarHBondContact O-N 3.05Å
108	T	93.8	Very high	90.9	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.049	27%	0.273	C	S	.	.			trans	-86.7	116.3	-179.1	-65.5	0	0	0	0	110.3	H46 Y92 L110 Q113 A115	H46-T108 PolarHBondContact O-N 3.04Å; H46-T108 PolarHBondContact O-OG1 3.35Å; Y92-T108 CarbonylContact C-O 3.47Å; Y92-T108 WeakPolarHBondContact CB-O 2.94Å; Y92-T108 HydrophobicContact CD1-CG2 4.42Å; Y92-T108 PolarHBondContact O-N 2.79Å; T108-L110 VanDerWaalsContact C-N 3.31Å; T108-L110 WeakPolarHBondContact CG2-O 3.09Å; T108-L110 PolarHBondContact O-N 3.05Å; T108-Q113 HydrophobicContact CG2-CB 4.34Å; T108-Q113 VanDerWaalsContact CG2-O 3.31Å; T108-Q113 WeakPolarHBondContact CG2-O 3.26Å; T108-A115 WeakPolarHBondContact OG1-CB 3.34Å
109	P	87.2	Confident	90.9	Very high	18 Å²	18	44.2 Å²	44.2	12%	0.117	28%	0.276	C	S	.	.	S	Bend	trans	-61.8	-36.7	-177.4	-24.5	34.7	0	0	0	113.7	G107 I116	G107-P109 WeakPolarHBondContact O-CD 3.28Å; P109-I116 HydrophobicContact CG-CD1 3.75Å; P109-I116 HydrophobicContact CG-CG1 4.33Å
110	L	86.9	Confident	91	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	27%	0.269	C	S	.	.	S	Bend	trans	-151.3	150.4	-179.8	-163.2	73.6	0	0	0	110.5	T108 G112 Q113 L326 N339 L341	T108-L110 VanDerWaalsContact C-N 3.31Å; T108-L110 WeakPolarHBondContact CG2-O 3.09Å; T108-L110 PolarHBondContact O-N 3.05Å; L110-G112 PolarHBondContact O-N 3.11Å; L110-Q113 HydrophobicContact CB-CG 4.1Å; L110-Q113 VanDerWaalsContact O-CB 3.3Å; L110-Q113 WeakPolarHBondContact O-CB 3.43Å; L110-Q113 PolarHBondContact O-N 3.08Å; L110-L326 HydrophobicContact CD1-CD2 3.76Å; L110-L326 HydrophobicContact CD1-CG 3.96Å; L110-L326 HydrophobicContact CG-CD2 4.44Å; L110-N339 HydrophobicContact CD1-CB 4.22Å; L110-N339 HydrophobicContact CD2-CB 3.88Å; L110-L341 HydrophobicContact CB-CD2 3.7Å; L110-L341 HydrophobicContact CD2-CD2 3.75Å; L110-L341 HydrophobicContact CG-CD2 4.34Å
111	E	80.5	Confident	91.2	Very high	104 Å²	104	47.5 Å²	47.5	49%	0.486	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	128.2	173.4	-172.6	178	-154.8	0	0	111.6	Y92 K328	Y92-E111 HydrophobicContact CE1-CB 3.97Å; Y92-E111 HydrophobicContact CE1-CG 4.22Å; E111-K328 IonicContact OE2-NZ 2.74Å
112	G	80	Confident	91.2	Very high	80 Å²	80	44.9 Å²	44.9	83%	0.825	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-7.8	-177.2	0	0	0	0	0	115.7	L110	L110-G112 PolarHBondContact O-N 3.11Å
113	Q	87.5	Confident	91	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	28%	0.279	S	S	.	.	S	Bend	trans	-87.7	157.2	173.6	-63.6	-65.9	-29.5	0	0	112.1	T108 L110 L341	T108-Q113 HydrophobicContact CG2-CB 4.34Å; T108-Q113 VanDerWaalsContact CG2-O 3.31Å; T108-Q113 WeakPolarHBondContact CG2-O 3.26Å; L110-Q113 HydrophobicContact CB-CG 4.1Å; L110-Q113 VanDerWaalsContact O-CB 3.3Å; L110-Q113 WeakPolarHBondContact O-CB 3.43Å; L110-Q113 PolarHBondContact O-N 3.08Å; Q113-L341 HydrophobicContact CG-CD2 4.2Å
114	S	87.9	Confident	90.6	Very high	105 Å²	105	51.1 Å²	51.1	73%	0.734	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.5	141.2	172.2	-63.1	0	0	0	0	111.4
115	A	91.8	Very high	90.4	Very high	34 Å²	34	50.8 Å²	50.8	28%	0.281	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-69.2	131.3	177.1	0	0	0	0	0	111.5	V52 T108 L117	V52-A115 HydrophobicContact CG2-CB 3.99Å; T108-A115 WeakPolarHBondContact OG1-CB 3.34Å; A115-L117 HydrophobicContact CB-CD2 3.82Å
116	I	92.5	Very high	89.8	Confident	64 Å²	64	53.8 Å²	53.8	33%	0.328	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	101.8	173.4	-55.4	174.3	0	0	0	107.9	W106 G107 P109 V118 Y120	W106-I116 CarbonylContact C-O 3.6Å; W106-I116 WeakPolarHBondContact CA-O 3.39Å; W106-I116 WeakPolarHBondContact CB-O 3.31Å; G107-I116 PolarHBondContact N-O 3.1Å; G107-I116 PolarHBondContact O-N 3.05Å; P109-I116 HydrophobicContact CG-CD1 3.75Å; P109-I116 HydrophobicContact CG-CG1 4.33Å; I116-V118 WeakPolarHBondContact CG2-O 3.29Å; I116-Y120 HydrophobicContact CB-CD1 4.31Å; I116-Y120 HydrophobicContact CB-CE1 4.17Å; I116-Y120 HydrophobicContact CD1-CD1 4.21Å; I116-Y120 HydrophobicContact CD1-CE1 3.65Å; I116-Y120 HydrophobicContact CG2-CD1 3.6Å; I116-Y120 HydrophobicContact CG2-CE1 3.97Å
117	L	92	Very high	89	Confident	66 Å²	66	56.7 Å²	56.7	35%	0.346	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-26	-170	-60	-172.7	0	0	0	113.8	G50 V52 A115	G50-L117 WeakPolarHBondContact O-CB 3.38Å; V52-L117 HydrophobicContact CG2-CD2 3.91Å; A115-L117 HydrophobicContact CB-CD2 3.82Å
118	V	90.7	Very high	88.8	Confident	100 Å²	100	58.5 Å²	58.5	61%	0.606	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.6	175.9	-178.7	0	0	0	0	108.2	I116 Y120	I116-V118 WeakPolarHBondContact CG2-O 3.29Å; V118-Y120 PolarHBondContact O-N 2.89Å
119	P	94.4	Very high	88.6	Confident	16 Å²	16	62.8 Å²	62.8	10%	0.104	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	128.8	175.1	-28.1	36.2	0	0	0	112.3	V62 I64 W104 A105 W106	V62-P119 HydrophobicContact CG1-CG 3.81Å; I64-P119 HydrophobicContact CB-CB 4.38Å; I64-P119 HydrophobicContact CD1-CB 4.47Å; I64-P119 HydrophobicContact CG1-CB 3.87Å; I64-P119 HydrophobicContact CG1-CG 3.98Å; I64-P119 HydrophobicContact CG2-CB 4.19Å; W104-P119 HydrophobicContact CE3-CB 4.43Å; A105-P119 WeakPolarHBondContact O-CA 3.26Å; W106-P119 HydrophobicContact CB-CG 4.28Å; W106-P119 HydrophobicContact CD2-CG 4.14Å; W106-P119 HydrophobicContact CE3-CB 3.95Å; W106-P119 HydrophobicContact CE3-CG 3.99Å; W106-P119 HydrophobicContact CG-CG 4.29Å
120	Y	92.4	Very high	88.9	Confident	73 Å²	73	62 Å²	62	29%	0.286	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149	178.3	70.4	-83.9	0	0	0	110.6	Q93 W104 A105 I116 V118 V122	Q93-Y120 PolarHBondContact NE2-OH 2.88Å; W104-Y120 CarbonylContact C-O 3.53Å; W104-Y120 WeakPolarHBondContact CA-O 3.24Å; A105-Y120 HydrophobicContact CB-CE1 3.88Å; A105-Y120 HydrophobicContact CB-CE2 4.36Å; A105-Y120 PolarHBondContact N-O 3.42Å; A105-Y120 WeakPolarHBondContact O-CD1 3.49Å; A105-Y120 VanDerWaalsContact O-CE1 3.32Å; A105-Y120 WeakPolarHBondContact O-CE1 3.43Å; A105-Y120 PolarHBondContact O-N 2.89Å; I116-Y120 HydrophobicContact CB-CD1 4.31Å; I116-Y120 HydrophobicContact CB-CE1 4.17Å; I116-Y120 HydrophobicContact CD1-CD1 4.21Å; I116-Y120 HydrophobicContact CD1-CE1 3.65Å; I116-Y120 HydrophobicContact CG2-CD1 3.6Å; I116-Y120 HydrophobicContact CG2-CE1 3.97Å; V118-Y120 PolarHBondContact O-N 2.89Å; Y120-V122 HydrophobicContact CE2-CG2 4.3Å
121	R	92.8	Very high	89.2	Confident	123 Å²	123	64.9 Å²	64.9	46%	0.464	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.6	175.6	-165.7	177.7	-173.3	-173.3	5.9	109.5	A102 W104 S123	A102-R121 VanDerWaalsContact CB-NH2 3.29Å; W104-R121 HydrophobicContact CD2-CB 4.25Å; W104-R121 HydrophobicContact CE3-CB 4.12Å; W104-R121 HydrophobicContact CH2-CB 4.14Å; W104-R121 HydrophobicContact CZ2-CB 4.24Å; W104-R121 HydrophobicContact CZ2-CG 4.44Å; W104-R121 HydrophobicContact CZ3-CB 4.07Å; R121-S123 PolarHBondContact O-N 2.8Å
122	V	94	Very high	89.7	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.042	36%	0.363	C	S	.	.			trans	-76.1	97.7	179.5	-177.4	0	0	0	0	109.1	L103 A105 Y120 Q124 L125 P343	L103-V122 HydrophobicContact CB-CB 4.32Å; L103-V122 HydrophobicContact CB-CG2 4.42Å; L103-V122 HydrophobicContact CD2-CB 4.01Å; L103-V122 HydrophobicContact CD2-CG1 4.28Å; L103-V122 HydrophobicContact CD2-CG2 3.81Å; L103-V122 HydrophobicContact CG-CB 4.32Å; L103-V122 HydrophobicContact CG-CG2 3.97Å; L103-V122 PolarHBondContact O-N 3.32Å; A105-V122 HydrophobicContact CB-CG2 3.92Å; Y120-V122 HydrophobicContact CE2-CG2 4.3Å; V122-Q124 VanDerWaalsContact C-N 3.31Å; V122-Q124 PolarHBondContact O-N 3.24Å; V122-L125 PolarHBondContact O-N 2.71Å; V122-P343 HydrophobicContact CG1-CG 3.56Å
123	S	87.9	Confident	90.5	Very high	77 Å²	77	57.6 Å²	57.6	54%	0.538	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-68.9	-26	-166.5	57.7	0	0	0	0	113.8	R121 L125 S126	R121-S123 PolarHBondContact O-N 2.8Å; S123-L125 PolarHBondContact O-N 2.78Å; S123-S126 WeakPolarHBondContact CA-OG 3.37Å; S123-S126 WeakPolarHBondContact O-CB 3.41Å; S123-S126 PolarHBondContact O-N 2.77Å; S123-S126 PolarHBondContact O-OG 2.79Å
124	Q	88.6	Confident	90.7	Very high	64 Å²	64	52.9 Å²	52.9	30%	0.299	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.4	178.8	-64.2	78.5	5.9	0	0	112.9	V122 E342 P343	V122-Q124 VanDerWaalsContact C-N 3.31Å; V122-Q124 PolarHBondContact O-N 3.24Å; Q124-E342 HydrophobicContact CG-CB 4.3Å; Q124-E342 PolarHBondContact NE2-OE1 2.91Å; Q124-E342 PolarHBondContact NE2-OE2 3.43Å; Q124-P343 HydrophobicContact CB-CB 4.46Å; Q124-P343 HydrophobicContact CB-CG 4.32Å
125	L	90	Very high	91	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-101.3	11.3	177.1	-59.8	176.7	0	0	0	112.5	L103 V122 S123 G127 R128 V142 W322 P343	L103-L125 HydrophobicContact CD2-CD1 3.72Å; V122-L125 PolarHBondContact O-N 2.71Å; S123-L125 PolarHBondContact O-N 2.78Å; L125-G127 PolarHBondContact O-N 3.12Å; L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 PolarHBondContact O-N 2.95Å; L125-R128 VanDerWaalsContact O-N 3.14Å; L125-V142 HydrophobicContact CD1-CG2 3.81Å; L125-W322 HydrophobicContact CD2-CB 4.39Å; L125-W322 HydrophobicContact CD2-CD2 3.5Å; L125-W322 HydrophobicContact CD2-CE3 3.62Å; L125-W322 HydrophobicContact CD2-CG 3.87Å; L125-W322 HydrophobicContact CD2-CH2 4.42Å; L125-W322 HydrophobicContact CD2-CZ2 4.33Å; L125-W322 HydrophobicContact CD2-CZ3 4.08Å; L125-P343 HydrophobicContact CD1-CB 4.48Å; L125-P343 HydrophobicContact CD1-CG 4.43Å; L125-P343 HydrophobicContact CD2-CB 4.39Å; L125-P343 HydrophobicContact CG-CB 4.34Å; L125-P343 HydrophobicContact CG-CG 4.43Å
126	S	82.9	Confident	91.1	Very high	62 Å²	62	46.9 Å²	46.9	43%	0.434	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	137.2	177.2	-59.3	0	0	0	0	111.1	S123 R128	S123-S126 WeakPolarHBondContact CA-OG 3.37Å; S123-S126 WeakPolarHBondContact O-CB 3.41Å; S123-S126 PolarHBondContact O-N 2.77Å; S123-S126 PolarHBondContact O-OG 2.79Å; S126-R128 VanDerWaalsContact C-N 3.26Å; S126-R128 PolarHBondContact O-N 2.9Å
127	G	81.1	Confident	91.1	Very high	62 Å²	62	46.5 Å²	46.5	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-0.3	-177	0	0	0	0	0	114.5	L125	L125-G127 PolarHBondContact O-N 3.12Å
128	R	88.9	Confident	91.1	Very high	38 Å²	38	43.4 Å²	43.4	14%	0.143	24%	0.242	C	C	.	.	S	Bend	trans	-106.1	152.6	172.2	-60.9	174.7	172.3	-86	11.8	110.2	L125 S126 V144 N145 L147 E320	L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 PolarHBondContact O-N 2.95Å; L125-R128 VanDerWaalsContact O-N 3.14Å; S126-R128 VanDerWaalsContact C-N 3.26Å; S126-R128 PolarHBondContact O-N 2.9Å; R128-V144 HydrophobicContact CB-CB 4.43Å; R128-N145 PolarHBondContact NH1-O 3.14Å; R128-L147 HydrophobicContact CG-CD1 3.71Å; R128-L147 HydrophobicContact CG-CG 3.97Å; R128-E320 IonicContact CZ-OE1 3.52Å; R128-E320 IonicContact CZ-OE2 2.88Å; R128-E320 IonicContact NE-OE2 2.73Å; R128-E320 IonicContact NH1-OE1 3.49Å; R128-E320 PolarHBondContact NH1-OE1 2.96Å; R128-E320 IonicContact NH1-OE2 3.21Å; R128-E320 PolarHBondContact NH1-OE2 3.28Å; R128-E320 IonicContact NH2-OE1 3.6Å; R128-E320 PolarHBondContact NH2-OE1 3.29Å; R128-E320 IonicContact NH2-OE2 3.23Å; R128-E320 PolarHBondContact NH2-OE2 3.29Å
129	H	90.4	Very high	91.4	Very high	98 Å²	98	38.8 Å²	38.8	45%	0.454	21%	0.213	S	C	.	.			trans	-96.1	119.7	172.7	-70	-107.9	0	0	0	109.4	N101 V144 N145	N101-H129 HydrophobicContact CB-CB 4.1Å; H129-V144 CarbonylContact O-C 3.29Å; H129-V144 WeakPolarHBondContact O-CA 3.36Å; H129-V144 WeakPolarHBondContact O-CB 3.4Å; H129-N145 HydrophobicContact CB-CB 4.3Å; H129-N145 PolarHBondContact O-N 2.93Å
130	V	93.7	Very high	91.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.3	175.3	-173.9	0	0	0	0	110	I97 N101 L103 V142 V144	I97-V130 HydrophobicContact CD1-CB 4.5Å; I97-V130 HydrophobicContact CD1-CG1 3.76Å; I97-V130 HydrophobicContact CG1-CG1 4.1Å; N101-V130 WeakPolarHBondContact O-CB 3.5Å; N101-V130 PolarHBondContact O-N 3.41Å; N101-V130 PolarHBondContact OD1-O 3.02Å; L103-V130 HydrophobicContact CB-CG2 4.05Å; V130-V142 HydrophobicContact CG1-CB 4.22Å; V130-V142 HydrophobicContact CG1-CG1 4.41Å; V130-V144 HydrophobicContact CB-CG1 4.38Å; V130-V144 HydrophobicContact CG1-CG1 4.45Å; V130-V144 HydrophobicContact CG2-CG1 3.91Å
131	L	92.4	Very high	91.8	Very high	80 Å²	80	34.5 Å²	34.5	42%	0.419	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-37.4	-175.6	-55.4	179	0	0	0	112.3	L143 T319	L131-L143 HydrophobicContact CB-CD2 4.42Å; L131-L143 HydrophobicContact CB-CG 4.37Å; L131-L143 HydrophobicContact CD1-CD2 4.43Å; L131-L143 HydrophobicContact CD1-CG 4.31Å; L131-L143 PolarHBondContact N-O 2.91Å; L131-T319 HydrophobicContact CD1-CG2 4.28Å
132	A	92.8	Very high	92	Very high	19 Å²	19	28.7 Å²	28.7	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.1	179.7	0	0	0	0	0	111.1	V142 L143 I357	A132-V142 VanDerWaalsContact O-CA 3.3Å; A132-V142 WeakPolarHBondContact O-CA 3.33Å; A132-L143 HydrophobicContact CB-CB 4.1Å; A132-L143 PolarHBondContact N-O 3Å; A132-L143 PolarHBondContact O-N 2.95Å; A132-I357 HydrophobicContact CB-CD1 4.15Å; A132-I357 HydrophobicContact CB-CG1 3.97Å
133	V	94.9	Very high	92.1	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.7	175	60.2	0	0	0	0	109.1	L95 I97 L103 V142	L95-V133 HydrophobicContact CB-CG2 3.89Å; L95-V133 HydrophobicContact CD1-CG2 3.53Å; L95-V133 HydrophobicContact CG-CG2 4.37Å; I97-V133 HydrophobicContact CD1-CB 4.03Å; I97-V133 HydrophobicContact CD1-CG1 3.62Å; I97-V133 HydrophobicContact CG1-CB 4.44Å; I97-V133 HydrophobicContact CG1-CG1 3.93Å; L103-V133 HydrophobicContact CD1-CG2 4.46Å; V133-V142 HydrophobicContact CB-CG1 4.01Å; V133-V142 HydrophobicContact CG2-CG1 3.79Å
134	A	93.5	Very high	92.5	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.1	167.5	0	0	0	0	0	109.9	V141 A359	A134-V141 HydrophobicContact CB-CG1 3.79Å; A134-V141 PolarHBondContact N-O 2.89Å; A134-V141 PolarHBondContact O-N 2.82Å; A134-A359 HydrophobicContact CB-CB 3.98Å
135	S	94.2	Very high	92.4	Very high	12 Å²	12	24.1 Å²	24.1	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.4	-176.4	-53.1	0	0	0	0	110.2	S88	S88-S135 WeakPolarHBondContact CB-OG 3.18Å; S88-S135 WeakPolarHBondContact OG-CB 3.24Å; S88-S135 PolarHBondContact OG-N 3.04Å; S88-S135 VanDerWaalsContact OG-N 3.07Å; S88-S135 PolarHBondContact OG-OG 2.69Å
136	G	93.1	Very high	91.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.			trans	-87	-150.4	172.7	0	0	0	0	0	112.1	F26 S90 G138 H139 G360	F26-G136 WeakPolarHBondContact CE2-O 3.22Å; S90-G136 VanDerWaalsContact CB-O 3.24Å; S90-G136 WeakPolarHBondContact CB-O 3.21Å; G136-G138 PolarHBondContact O-N 2.74Å; G136-H139 PolarHBondContact N-O 2.84Å; G136-G360 WeakPolarHBondContact CA-O 3.42Å
137	F	92.5	Very high	91.2	Very high	57 Å²	57	29.2 Å²	29.2	25%	0.25	16%	0.162	C	C	.	.	S	Bend	trans	-61	-47	178.3	-176	-99.7	0	0	0	111.3	F26 R91 Y92 L326 A361 F362	F26-F137 HydrophobicContact CD1-CD2 4.04Å; F26-F137 HydrophobicContact CE1-CB 4.36Å; F26-F137 AromaticContact CE1-CD2 3.65Å; F26-F137 HydrophobicContact CE1-CD2 3.65Å; F26-F137 HydrophobicContact CE1-CG 4.47Å; F26-F137 HydrophobicContact CZ-CB 4.21Å; F26-F137 HydrophobicContact CZ-CD2 4.29Å; R91-F137 HydrophobicContact CB-CD1 4.5Å; R91-F137 HydrophobicContact CB-CD2 3.97Å; R91-F137 HydrophobicContact CB-CE1 4.48Å; R91-F137 HydrophobicContact CB-CE2 3.95Å; R91-F137 HydrophobicContact CB-CG 4.26Å; R91-F137 HydrophobicContact CB-CZ 4.21Å; R91-F137 WeakPolarHBondContact CB-O 3.28Å; R91-F137 HydrophobicContact CG-CD2 4.31Å; R91-F137 HydrophobicContact CG-CE1 4.31Å; R91-F137 HydrophobicContact CG-CE2 3.76Å; R91-F137 HydrophobicContact CG-CZ 3.76Å; R91-F137 PolarHBondContact N-O 2.94Å; Y92-F137 WeakPolarHBondContact CD2-O 3.37Å; Y92-F137 AromaticContact CE2-CD1 3.88Å; Y92-F137 HydrophobicContact CE2-CD1 3.88Å; Y92-F137 AromaticContact CE2-CE1 3.62Å; Y92-F137 HydrophobicContact CE2-CE1 3.62Å; Y92-F137 HydrophobicContact CE2-CZ 4.39Å; F137-L326 HydrophobicContact CD1-CD1 4.15Å; F137-A361 HydrophobicContact CB-CB 4.31Å; F137-A361 WeakPolarHBondContact CB-O 3.27Å; F137-A361 PolarHBondContact N-O 3.46Å; F137-F362 HydrophobicContact CB-CD1 4.3Å; F137-F362 HydrophobicContact CB-CE1 3.95Å; F137-F362 HydrophobicContact CD1-CE1 4.21Å; F137-F362 HydrophobicContact CD2-CE1 4.39Å; F137-F362 HydrophobicContact CD2-CZ 4.5Å; F137-F362 AromaticContact CG-CE1 3.95Å; F137-F362 HydrophobicContact CG-CE1 3.95Å; F137-F362 HydrophobicContact CG-CZ 4.49Å
138	G	93	Very high	90.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-154.9	20.5	175.3	0	0	0	0	0	113.5	G136 G325 L326	G136-G138 PolarHBondContact O-N 2.74Å; G138-G325 WeakPolarHBondContact O-CA 3.38Å; G138-L326 PolarHBondContact O-N 3.27Å
139	H	96.4	Very high	88	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.2	170.9	70.1	-79.1	0	0	0	109.7	G136 W324 L326 Q331 L332 G360 H363 T364	G136-H139 PolarHBondContact N-O 2.84Å; H139-W324 CarbonylContact C-O 3.59Å; H139-W324 WeakPolarHBondContact CA-O 3.34Å; H139-L326 VanDerWaalsContact CB-O 3.31Å; H139-L326 WeakPolarHBondContact CB-O 3.48Å; H139-Q331 HydrophobicContact CB-CB 4.2Å; H139-L332 HydrophobicContact CB-CD2 3.97Å; H139-G360 PolarHBondContact CE1-O 2.84Å; H139-G360 VanDerWaalsContact CE1-O 3.23Å; H139-H363 PolarHBondContact NE2-O 2.84Å; H139-T364 PolarHBondContact CD2-OG1 2.89Å; H139-T364 VanDerWaalsContact CD2-OG1 3.26Å; H139-T364 PolarHBondContact NE2-OG1 2.85Å
140	Y	97	Very high	85.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.6	-170.2	-48.5	-79.7	0	0	0	108.9	S90 Q93 L95 T323 W324	S90-Y140 WeakPolarHBondContact OG-CE1 3.45Å; S90-Y140 PolarHBondContact OG-OH 2.87Å; S90-Y140 VanDerWaalsContact OG-OH 3.07Å; Q93-Y140 HydrophobicContact CB-CE1 3.85Å; Q93-Y140 WeakPolarHBondContact CB-OH 3.3Å; L95-Y140 HydrophobicContact CD1-CD1 3.61Å; L95-Y140 HydrophobicContact CD1-CG 4.05Å; L95-Y140 HydrophobicContact CG-CD1 4.07Å; Y140-T323 VanDerWaalsContact O-CA 3.25Å; Y140-T323 WeakPolarHBondContact O-CA 3.48Å; Y140-W324 VanDerWaalsContact CB-CE2 3.48Å; Y140-W324 AromaticContact CD2-CD1 3.5Å; Y140-W324 VanDerWaalsContact CD2-CD1 3.5Å; Y140-W324 HydrophobicContact CD2-CD2 4.21Å; Y140-W324 AromaticContact CD2-CE2 3.7Å; Y140-W324 HydrophobicContact CD2-CG 4.08Å; Y140-W324 HydrophobicContact CD2-CZ2 4.33Å; Y140-W324 AromaticContact CD2-NE1 3.21Å; Y140-W324 WeakPolarHBondContact CD2-O 3.27Å; Y140-W324 AromaticContact CE2-NE1 3.89Å; Y140-W324 HydrophobicContact CG-CD2 4.38Å; Y140-W324 AromaticContact CG-CE2 3.76Å; Y140-W324 AromaticContact CG-CZ2 3.94Å; Y140-W324 HydrophobicContact CG-CZ2 3.94Å; Y140-W324 AromaticContact CG-NE1 3.74Å; Y140-W324 PolarHBondContact N-O 2.64Å; Y140-W324 PolarHBondContact O-N 2.81Å; Y140-W324 VanDerWaalsContact O-N 3.12Å
141	V	97.5	Very high	82.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.6	177.1	59.2	0	0	0	0	109.4	A134 V321 W322 T323 I357 A359 T364	A134-V141 HydrophobicContact CB-CG1 3.79Å; A134-V141 PolarHBondContact N-O 2.89Å; A134-V141 PolarHBondContact O-N 2.82Å; V141-V321 HydrophobicContact CG2-CG1 3.79Å; V141-W322 WeakPolarHBondContact CA-O 3.46Å; V141-T323 HydrophobicContact CB-CG2 4.12Å; V141-T323 HydrophobicContact CG2-CG2 3.91Å; V141-I357 HydrophobicContact CB-CD1 4.48Å; V141-I357 HydrophobicContact CG1-CD1 4.17Å; V141-I357 HydrophobicContact CG2-CB 4.34Å; V141-I357 HydrophobicContact CG2-CD1 3.93Å; V141-I357 HydrophobicContact CG2-CG2 4.28Å; V141-A359 HydrophobicContact CG1-CB 4.07Å; V141-T364 HydrophobicContact CB-CG2 4.18Å; V141-T364 HydrophobicContact CG1-CG2 4.01Å; V141-T364 HydrophobicContact CG2-CG2 4.22Å
142	V	97.5	Very high	79.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.7	176.1	-63	0	0	0	0	111	L103 L125 V130 A132 V133 V144 W322 W324	L103-V142 HydrophobicContact CD1-CG1 4.32Å; L103-V142 HydrophobicContact CD2-CG1 4.1Å; L125-V142 HydrophobicContact CD1-CG2 3.81Å; V130-V142 HydrophobicContact CG1-CB 4.22Å; V130-V142 HydrophobicContact CG1-CG1 4.41Å; A132-V142 VanDerWaalsContact O-CA 3.3Å; A132-V142 WeakPolarHBondContact O-CA 3.33Å; V133-V142 HydrophobicContact CB-CG1 4.01Å; V133-V142 HydrophobicContact CG2-CG1 3.79Å; V142-V144 HydrophobicContact CG2-CG1 4.11Å; V142-W322 HydrophobicContact CG2-CB 3.71Å; V142-W322 PolarHBondContact N-O 2.82Å; V142-W322 PolarHBondContact O-N 3.26Å; V142-W324 HydrophobicContact CB-CZ3 4.49Å; V142-W324 HydrophobicContact CG1-CH2 3.75Å; V142-W324 HydrophobicContact CG1-CZ3 3.94Å; V142-W324 HydrophobicContact CG2-CH2 4.4Å; V142-W324 HydrophobicContact CG2-CZ3 3.84Å
143	L	96.9	Very high	76.3	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	173.9	-175.3	65.2	0	0	0	107.8	L131 A132 T319 V321 I354 I357	L131-L143 HydrophobicContact CB-CD2 4.42Å; L131-L143 HydrophobicContact CB-CG 4.37Å; L131-L143 HydrophobicContact CD1-CD2 4.43Å; L131-L143 HydrophobicContact CD1-CG 4.31Å; L131-L143 PolarHBondContact N-O 2.91Å; A132-L143 HydrophobicContact CB-CB 4.1Å; A132-L143 PolarHBondContact N-O 3Å; A132-L143 PolarHBondContact O-N 2.95Å; L143-T319 HydrophobicContact CD1-CG2 4.48Å; L143-V321 HydrophobicContact CD1-CG2 4.03Å; L143-I354 HydrophobicContact CD1-CB 4.03Å; L143-I354 HydrophobicContact CD1-CG2 3.86Å; L143-I357 HydrophobicContact CB-CD1 3.86Å; L143-I357 HydrophobicContact CB-CG1 4.22Å
144	V	94.6	Very high	72.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.9	-177.2	-52.3	0	0	0	0	111.6	R128 H129 V130 V142 T319 E320	R128-V144 HydrophobicContact CB-CB 4.43Å; H129-V144 CarbonylContact O-C 3.29Å; H129-V144 WeakPolarHBondContact O-CA 3.36Å; H129-V144 WeakPolarHBondContact O-CB 3.4Å; V130-V144 HydrophobicContact CB-CG1 4.38Å; V130-V144 HydrophobicContact CG1-CG1 4.45Å; V130-V144 HydrophobicContact CG2-CG1 3.91Å; V142-V144 HydrophobicContact CG2-CG1 4.11Å; V144-T319 CarbonylContact O-C 3.54Å; V144-T319 WeakPolarHBondContact O-CA 3.2Å; V144-E320 HydrophobicContact CG2-CB 3.83Å; V144-E320 PolarHBondContact N-O 3.25Å; V144-E320 PolarHBondContact O-N 3.44Å
145	N	87.9	Confident	69.7	Low	49 Å²	49	59.2 Å²	59.2	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.7	166.7	-81.1	-26.1	0	0	0	110.6	R128 H129 L147	R128-N145 PolarHBondContact NH1-O 3.14Å; H129-N145 HydrophobicContact CB-CB 4.3Å; H129-N145 PolarHBondContact O-N 2.93Å; N145-L147 PolarHBondContact O-N 3.06Å
146	K	77.5	Confident	66.4	Low	78 Å²	78	67.2 Å²	67.2	34%	0.339	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.2	131.7	171.3	-174.3	165.6	-166.9	174.3	0	109.4	V148 S318 E320	K146-V148 PolarHBondContact O-N 3.47Å; K146-S318 WeakPolarHBondContact CA-O 3.33Å; K146-S318 WeakPolarHBondContact CB-O 3.41Å; K146-S318 WeakPolarHBondContact CD-OG 3.5Å; K146-S318 PolarHBondContact N-O 3.2Å; K146-E320 HydrophobicContact CB-CG 3.93Å; K146-E320 HydrophobicContact CG-CG 4.1Å; K146-E320 WeakPolarHBondContact CG-OE1 3.46Å
147	L	69.6	Low	63.1	Low	96 Å²	96	74.8 Å²	74.8	50%	0.503	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-65.2	116.9	170.8	-88.3	158.6	0	0	0	108.8	R128 N145 G149	R128-L147 HydrophobicContact CG-CD1 3.71Å; R128-L147 HydrophobicContact CG-CG 3.97Å; N145-L147 PolarHBondContact O-N 3.06Å; L147-G149 PolarHBondContact O-N 2.82Å
148	V	58	Low	59.9	Low	131 Å²	131	76.2 Å²	76.2	79%	0.794	45%	0.447	S	S	*	.			trans	-69.1	104.2	170.2	-177.9	0	0	0	0	107.1	K146 N150	K146-V148 PolarHBondContact O-N 3.47Å; V148-N150 PolarHBondContact O-N 3.27Å
149	G	45.8	Very low	56.6	Low	62 Å²	62	84.7 Å²	84.7	64%	0.639	49%	0.487	S	S	*	.			trans	-67.3	89.9	179.9	0	0	0	0	0	111.4	L147 T151	L147-G149 PolarHBondContact O-N 2.82Å; G149-T151 VanDerWaalsContact C-N 3.28Å; G149-T151 PolarHBondContact O-N 2.79Å
150	N	33.5	Very low	53.1	Low	143 Å²	143	92.6 Å²	92.6	77%	0.765	53%	0.528	S	S	*	.			trans	-84.6	81.4	155.6	-144.3	1.4	0	0	0	106.9	V148 G152	V148-N150 PolarHBondContact O-N 3.27Å; N150-G152 PolarHBondContact O-N 2.88Å
151	T	30.5	Very low	49.6	Very low	142 Å²	142	102.2 Å²	102.2	87%	0.871	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	28.8	-179.7	50.2	0	0	0	0	113.7	G149	G149-T151 VanDerWaalsContact C-N 3.28Å; G149-T151 PolarHBondContact O-N 2.79Å
152	G	28.6	Very low	46	Very low	63 Å²	63	107.5 Å²	107.5	65%	0.649	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-22.4	176.8	0	0	0	0	0	115.2	N150	N150-G152 PolarHBondContact O-N 2.88Å
153	A	29.1	Very low	42.5	Very low	79 Å²	79	114.3 Å²	114.3	65%	0.653	65%	0.648	S	S	*	*	S	Bend	trans	-106.9	-15.6	-166.7	0	0	0	0	0	115.8	H155	A153-H155 VanDerWaalsContact C-N 3.27Å; A153-H155 PolarHBondContact O-N 2.8Å
154	L	25.3	Very low	39	Very low	159 Å²	159	124.9 Å²	124.9	83%	0.832	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-83.2	0.1	-179	-135.6	97.9	0	0	0	114.2	Q156	L154-Q156 VanDerWaalsContact C-N 3.29Å; L154-Q156 PolarHBondContact O-N 2.86Å
155	H	26	Very low	35.6	Very low	165 Å²	165	130.3 Å²	130.3	76%	0.764	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-83	5.6	178.4	-110.5	-68	0	0	0	114.8	A153	A153-H155 VanDerWaalsContact C-N 3.27Å; A153-H155 PolarHBondContact O-N 2.8Å
156	Q	25.5	Very low	32.3	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-104.8	3.1	-180	-76.5	-172.2	-4.4	0	0	115.8	L154	L154-Q156 VanDerWaalsContact C-N 3.29Å; L154-Q156 PolarHBondContact O-N 2.86Å
157	L	23.7	Very low	29.9	Very low	158 Å²	158	135.7 Å²	135.7	83%	0.827	77%	0.773	S	S	*	*	S	Bend	trans	-99.7	12.3	176.8	-89.8	152.6	0	0	0	114.6	E159	L157-E159 PolarHBondContact O-N 2.97Å
158	S	24	Very low	27.7	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	5.7	178.3	47.8	0	0	0	0	115.7
159	E	24.7	Very low	26.1	Very low	180 Å²	180	136 Å²	136	84%	0.841	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	7.1	-175	-75.1	-156.4	164.3	0	0	117.2	L157	L157-E159 PolarHBondContact O-N 2.97Å
160	L	21.6	Very low	25.1	Very low	168 Å²	168	137.6 Å²	137.6	88%	0.88	79%	0.787	S	S	*	*			trans	-110.1	58	170.2	-86.5	124.7	0	0	0	112.3
161	K	23.2	Very low	24.6	Very low	201 Å²	201	136 Å²	136	87%	0.874	79%	0.787	S	S	*	*			trans	-107.4	72.3	160.2	-77.4	-173.1	178.4	179	0	109.8
162	S	22.1	Very low	24.4	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	78%	0.784	S	S	*	*			trans	-159.6	64.8	168.3	172.5	0	0	0	0	110.9
163	V	24.8	Very low	24.1	Very low	144 Å²	144	142.4 Å²	142.4	87%	0.873	80%	0.795	S	S	*	*			trans	-127.6	121	156.7	-175.1	0	0	0	0	108.7
164	R	23	Very low	23.9	Very low	226 Å²	226	149.7 Å²	149.7	85%	0.853	81%	0.806	S	S	*	*			trans	-42.6	137.1	-173.2	-70.1	164	175.7	173.6	-2.2	113.8	C166	R164-C166 PolarHBondContact O-N 3.09Å
165	S	22.6	Very low	23.8	Very low	113 Å²	113	151 Å²	151	79%	0.79	81%	0.808	S	S	*	*			trans	-32.4	111.2	158.9	52.7	0	0	0	0	112.6
166	C	20.4	Very low	23.5	Very low	122 Å²	122	147.9 Å²	147.9	82%	0.824	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.4	126.2	159.9	-73.3	0	0	0	0	108	R164	R164-C166 PolarHBondContact O-N 3.09Å
167	P	25.4	Very low	23.5	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.6	138.7	179.8	27.9	-30.3	0	0	0	110.1
168	S	23.5	Very low	23.4	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-50.1	129.7	171.1	48	0	0	0	0	110.7	S170	S168-S170 PolarHBondContact O-N 3.25Å
169	P	25.7	Very low	23.4	Very low	128 Å²	128	148.6 Å²	148.6	83%	0.831	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66	120.5	174.1	26	-28	0	0	0	108.3
170	S	23.9	Very low	23.4	Very low	96 Å²	96	148.9 Å²	148.9	67%	0.671	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-59.8	138.7	171.2	45.2	0	0	0	0	110.3	S168 D172	S168-S170 PolarHBondContact O-N 3.25Å; S170-D172 PolarHBondContact O-N 2.87Å; S170-D172 VanDerWaalsContact O-N 3.1Å
171	S	22.9	Very low	23.4	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	81%	0.813	S	S	*	*			trans	-41	103.9	164.2	50.6	0	0	0	0	112.7
172	D	26.5	Very low	23.3	Very low	148 Å²	148	151.6 Å²	151.6	79%	0.791	82%	0.815	S	S	*	*			trans	-111.2	100.8	158.5	-87.4	-28.3	0	0	0	108.2	S170 R174	S170-D172 PolarHBondContact O-N 2.87Å; S170-D172 VanDerWaalsContact O-N 3.1Å; D172-R174 PolarHBondContact O-N 2.85Å
173	E	22.1	Very low	23.3	Very low	191 Å²	191	153.5 Å²	153.5	89%	0.893	82%	0.816	S	S	*	*			trans	-56.6	110.8	166.6	-63.9	171.8	151.5	0	0	109.2
174	R	24.9	Very low	23	Very low	232 Å²	232	154.1 Å²	154.1	88%	0.875	81%	0.809	S	S	*	*			trans	-134.5	96	160.2	-76.1	-167.1	179.3	172	2	110.9	D172	D172-R174 PolarHBondContact O-N 2.85Å
175	E	22.9	Very low	22.9	Very low	188 Å²	188	151.4 Å²	151.4	88%	0.879	80%	0.803	S	S	*	*			trans	35.7	112.6	137.6	-69.2	179.3	154	0	0	118.8
176	A	20.8	Very low	22.8	Very low	98 Å²	98	151.9 Å²	151.9	81%	0.81	80%	0.797	S	S	*	*			trans	-57.5	136.9	161.9	0	0	0	0	0	112.7
177	T	25	Very low	23	Very low	131 Å²	131	156.5 Å²	156.5	80%	0.804	80%	0.799	S	S	*	*			trans	-141.4	108.5	152	35.9	0	0	0	0	110.5
178	E	22.6	Very low	22.8	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	80%	0.796	S	S	*	*			trans	55.6	128.7	138.8	-62.7	-173.5	158.2	0	0	123.1
179	N	23.2	Very low	22.7	Very low	140 Å²	140	159.7 Å²	159.7	75%	0.749	80%	0.803	S	S	*	*			trans	74.1	113	157.6	-55	-37.5	0	0	0	114.4
180	E	23.9	Very low	22.6	Very low	185 Å²	185	160.9 Å²	160.9	86%	0.864	80%	0.802	S	S	*	*				-156.7	153.5	63.7	-77.3	179.5	157.7	0	0	112.7	Y182	E180-Y182 PolarHBondContact O-N 2.81Å
181	K	21.7	Very low	22.4	Very low	197 Å²	197	166.6 Å²	166.6	86%	0.857	82%	0.815	S	S	*	*			trans	-73.7	112.8	-165.1	-65.7	161.7	173.8	169.9	0	113
182	Y	21.7	Very low	22.5	Very low	229 Å²	229	166.1 Å²	166.1	90%	0.898	81%	0.812	S	S	*	*			trans	-93.5	111.9	155.9	-85.7	-90.3	0	0	0	109.3	E180 Q184	E180-Y182 PolarHBondContact O-N 2.81Å; Y182-Q184 PolarHBondContact O-N 3.4Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å
183	L	21.2	Very low	22.2	Very low	152 Å²	152	168.5 Å²	168.5	80%	0.796	82%	0.818	S	S	*	*			trans	-71.4	101	171.3	-82.9	155.3	0	0	0	108.7	F185	L183-F185 PolarHBondContact O-N 2.81Å
184	Q	20.2	Very low	22.1	Very low	156 Å²	156	165.1 Å²	165.1	73%	0.729	82%	0.815	S	S	*	*			trans	-70.2	114.7	170.6	-173.8	176.3	-8.9	0	0	109.1	Y182 D186	Y182-Q184 PolarHBondContact O-N 3.4Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å; Q184-D186 PolarHBondContact NE2-OD1 3.24Å; Q184-D186 VanDerWaalsContact NE2-OD1 3.12Å
185	F	20.9	Very low	21.9	Very low	169 Å²	169	162.8 Å²	162.8	74%	0.741	81%	0.813	S	S	*	*			trans	-99.2	96.3	164.8	-85.4	-82.6	0	0	0	108.2	L183	L183-F185 PolarHBondContact O-N 2.81Å
186	D	20.5	Very low	21.8	Very low	123 Å²	123	159.1 Å²	159.1	66%	0.658	81%	0.808	S	S	*	*			trans	-70.2	120.8	164.8	-75.5	-25.8	0	0	0	108.8	Q184	Q184-D186 PolarHBondContact NE2-OD1 3.24Å; Q184-D186 VanDerWaalsContact NE2-OD1 3.12Å
187	Y	22.9	Very low	21.9	Very low	220 Å²	220	163.2 Å²	163.2	86%	0.863	81%	0.81	S	S	*	*			trans	-104.8	98.8	159.4	-89.9	-84.7	0	0	0	108
188	S	22.1	Very low	21.8	Very low	101 Å²	101	166 Å²	166	71%	0.706	81%	0.814	S	S	*	*			trans	-82.9	138.5	166.8	48.2	0	0	0	0	110.4	N190	S188-N190 PolarHBondContact O-N 3.01Å
189	E	21.4	Very low	21.9	Very low	190 Å²	190	164.2 Å²	164.2	89%	0.888	82%	0.815	S	S	*	*			trans	-59.9	114.1	-178.5	-60.5	173.9	148.5	0	0	111.7
190	N	23.1	Very low	22.2	Very low	153 Å²	153	162.2 Å²	162.2	82%	0.818	81%	0.81	S	S	*	*			trans	-118.8	104.1	163.3	-92.4	-26.2	0	0	0	109.7	S188 S192	S188-N190 PolarHBondContact O-N 3.01Å; N190-S192 PolarHBondContact O-N 3.18Å
191	K	21.1	Very low	22.3	Very low	215 Å²	215	159.7 Å²	159.7	94%	0.935	81%	0.809	S	S	*	*			trans	-64.8	108.2	162.9	-73.1	175.2	175.9	174.1	0	108.6
192	S	23.8	Very low	22.5	Very low	100 Å²	100	157.3 Å²	157.3	70%	0.699	81%	0.806	S	S	*	*			trans	-142.9	112.4	159.5	66	0	0	0	0	110	N190 C194	N190-S192 PolarHBondContact O-N 3.18Å; S192-C194 PolarHBondContact O-N 3.09Å
193	E	20.9	Very low	22.5	Very low	197 Å²	197	150.1 Å²	150.1	92%	0.921	80%	0.802	S	S	*	*			trans	-57.2	116.7	165.9	-64.7	167.5	155.2	0	0	109.1
194	C	19.8	Very low	22.6	Very low	121 Å²	121	153 Å²	153	82%	0.818	80%	0.803	S	S	*	*			trans	-150.7	131.4	162.2	-92.5	0	0	0	0	109.9	S192	S192-C194 PolarHBondContact O-N 3.09Å
195	H	20.8	Very low	22.8	Very low	183 Å²	183	151 Å²	151	85%	0.847	81%	0.806	S	S	*	*			trans	-68	163.2	174.3	-71.2	-85.8	0	0	0	112.1
196	S	21.1	Very low	23	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	81%	0.807	S	S	*	*			trans	67.1	103	163.4	63.6	0	0	0	0	117.9
197	E	22.4	Very low	23.2	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	81%	0.814	S	S	*	*				-179.4	100.1	104.3	-95.2	-179.7	176.2	0	0	108.8
198	E	23.1	Very low	23.3	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	81%	0.814	S	S	*	*			trans	-74.6	119.8	166.4	-73	179.8	160.2	0	0	108.8
199	V	25.3	Very low	23.4	Very low	135 Å²	135	144.9 Å²	144.9	82%	0.818	82%	0.817	S	S	*	*			trans	-114.5	98.8	159.7	-178.6	0	0	0	0	107.9
200	P	28.7	Very low	23.4	Very low	98 Å²	98	145 Å²	145	64%	0.636	81%	0.814	S	S	*	*			trans	-87.7	141.2	173.2	30.5	-29.3	0	0	0	111.7	N202	P200-N202 PolarHBondContact O-N 2.77Å
201	P	25.5	Very low	23.4	Very low	131 Å²	131	146.1 Å²	146.1	85%	0.851	82%	0.82	S	S	*	*			trans	-84	106.4	175.4	31.4	-28.3	0	0	0	111.4
202	N	25.2	Very low	23.5	Very low	148 Å²	148	142.2 Å²	142.2	79%	0.791	81%	0.814	S	S	*	*			trans	-4.7	125.4	156.8	-68.3	-39.8	0	0	0	119.8	P200	P200-N202 PolarHBondContact O-N 2.77Å
203	G	22.4	Very low	23.4	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	82%	0.819	S	S	*	*			trans	-167.7	89.9	161.1	0	0	0	0	0	111.1
204	Y	24.3	Very low	23.5	Very low	211 Å²	211	137.3 Å²	137.3	83%	0.827	81%	0.806	S	S	*	*			trans	-54	140.1	-170.1	-78.8	-102.5	0	0	0	115.9
205	C	24.2	Very low	23.7	Very low	116 Å²	116	139.5 Å²	139.5	78%	0.784	81%	0.81	S	S	*	*			trans	-85.5	118.1	162.7	-179.9	0	0	0	0	109.8	L207	C205-L207 PolarHBondContact O-N 2.95Å
206	P	25.1	Very low	23.9	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	80%	0.8	S	S	*	*			trans	-96.7	61.6	-173.4	37.9	-33	0	0	0	111.9
207	L	23.5	Very low	24.1	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	80%	0.802	S	S	*	*			trans	-140.9	61.2	165.2	-84.5	170.9	0	0	0	110.2	C205 V209	C205-L207 PolarHBondContact O-N 2.95Å; L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.02Å
208	G	25.3	Very low	24	Very low	83 Å²	83	132.7 Å²	132.7	86%	0.856	80%	0.802	S	S	*	*			trans	-86.1	67	168.7	0	0	0	0	0	111.2
209	V	23.4	Very low	24.1	Very low	128 Å²	128	128.6 Å²	128.6	78%	0.776	80%	0.8	S	S	*	*			trans	-122.8	113.2	169.9	-172.4	0	0	0	0	109.3	L207 L211	L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.02Å; V209-L211 PolarHBondContact O-N 2.92Å
210	K	23.4	Very low	23.8	Very low	191 Å²	191	127 Å²	127	83%	0.83	80%	0.795	S	S	*	*			trans	-70.4	119.1	-177.1	-153.3	174.1	-174.1	178.1	0	109	T212	K210-T212 PolarHBondContact O-N 2.75Å; K210-T212 VanDerWaalsContact O-N 3.09Å
211	L	21.3	Very low	23.5	Very low	177 Å²	177	129 Å²	129	93%	0.927	80%	0.8	S	S	*	*			trans	-55	110.9	169.7	-71.8	157.4	0	0	0	108.6	V209	V209-L211 PolarHBondContact O-N 2.92Å
212	T	23.9	Very low	23.5	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	80%	0.795	S	S	*	*			trans	-95.6	138.9	162.5	41.6	0	0	0	0	108.2	K210	K210-T212 PolarHBondContact O-N 2.75Å; K210-T212 VanDerWaalsContact O-N 3.09Å
213	S	22.3	Very low	23.4	Very low	114 Å²	114	131 Å²	131	80%	0.797	80%	0.798	S	S	*	*			trans	-66.3	149.5	-163.8	45.7	0	0	0	0	114.2
214	A	22.3	Very low	23.5	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	80%	0.799	S	S	*	*			trans	-19.5	132.6	151.6	0	0	0	0	0	115.6
215	D	23.4	Very low	23.3	Very low	167 Å²	167	127.4 Å²	127.4	89%	0.893	79%	0.793	S	S	*	*				161.9	136.4	120.1	-81.7	-22.9	0	0	0	109.4
216	G	25.3	Very low	23.4	Very low	62 Å²	62	129.4 Å²	129.4	64%	0.639	80%	0.796	S	S	*	*			trans	145.5	85	162.1	0	0	0	0	0	116.9
217	T	25.8	Very low	23.2	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	80%	0.799	S	S	*	*			trans	61.9	101.5	131.8	59.1	0	0	0	0	119.7
218	T	20.4	Very low	23.1	Very low	140 Å²	140	131 Å²	131	86%	0.859	80%	0.797	S	S	*	*				-2.8	122	129	54.9	0	0	0	0	117.2
219	A	25.4	Very low	23.1	Very low	103 Å²	103	130.3 Å²	130.3	85%	0.851	79%	0.79	S	S	*	*			trans	-143.7	106.5	150.1	0	0	0	0	0	109.2
220	S	18.5	Very low	23.2	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	79%	0.79	S	S	*	*			trans	-75.9	-178.7	160.1	59	0	0	0	0	110.6
221	L	22	Very low	23.2	Very low	142 Å²	142	127.8 Å²	127.8	74%	0.743	78%	0.784	S	S	*	*			trans	90.7	129.4	-176.5	-71.7	87.2	0	0	0	111.9
222	D	25.9	Very low	23.3	Very low	140 Å²	140	127.8 Å²	127.8	75%	0.749	78%	0.784	S	S	*	*			cis	-162.6	149.4	11	-99.2	-25.9	0	0	0	109.4
223	Q	22.9	Very low	23.2	Very low	180 Å²	180	129.7 Å²	129.7	84%	0.841	79%	0.788	S	S	*	*			trans	-74.7	153.3	156.2	-71	-174.3	-22.1	0	0	109
224	P	24.4	Very low	23.2	Very low	129 Å²	129	127.9 Å²	127.9	84%	0.838	79%	0.787	S	S	*	*				-152.7	171.1	83.2	36	-13.7	0	0	0	117.8
225	A	20	Very low	23.3	Very low	85 Å²	85	133.8 Å²	133.8	70%	0.702	80%	0.798	S	S	*	*			trans	-44.7	149.9	177.8	0	0	0	0	0	119.5
226	N	26.5	Very low	23.2	Very low	157 Å²	157	134 Å²	134	84%	0.84	80%	0.798	S	S	*	*			trans	-169.6	98.5	138.7	-92.8	-19.3	0	0	0	106.4
227	E	20.9	Very low	23.1	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	81%	0.806	S	S	*	*				66.3	128.4	78.9	-128.7	-178.8	-133.7	0	0	115.4
228	V	22.2	Very low	22.9	Very low	129 Å²	129	137.4 Å²	137.4	78%	0.782	81%	0.806	S	S	*	*			trans	85.6	114.8	161.1	-163.1	0	0	0	0	118.6
229	G	24.7	Very low	23.1	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	81%	0.805	S	S	*	*			trans	163.2	65.9	163.3	0	0	0	0	0	118
230	H	25	Very low	23	Very low	167 Å²	167	144.9 Å²	144.9	77%	0.773	81%	0.808	S	S	*	*			trans	38.1	108.4	145.2	-66.3	-78.8	0	0	0	121.5
231	S	23.7	Very low	23.2	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	81%	0.812	S	S	*	*				29.5	105.2	124.1	68.3	0	0	0	0	119.2
232	L	24.7	Very low	23.2	Very low	178 Å²	178	143.7 Å²	143.7	93%	0.932	82%	0.818	S	S	*	*	S	Bend	trans	-155.9	-3.5	143.1	-109.7	149.4	0	0	0	114.4
233	L	21.8	Very low	22.9	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	83%	0.825	S	S	*	*	S	Bend	trans	-96.1	14.9	179.2	-123.3	101.8	0	0	0	115.3
234	G	22.4	Very low	22.8	Very low	76 Å²	76	140 Å²	140	78%	0.784	82%	0.822	S	S	*	*			trans	-93	11.2	-168.4	0	0	0	0	0	117.5
235	K	24.4	Very low	22.7	Very low	205 Å²	205	140.5 Å²	140.5	89%	0.891	82%	0.822	S	S	*	*	S	Bend	trans	-130.1	12.8	-172.5	-80.5	-168.6	176.4	-178.7	0	117.6
236	L	20.8	Very low	22.8	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	83%	0.825	S	S	*	*	S	Bend	trans	-127.1	8.1	177.5	-109	140.6	0	0	0	115.9
237	V	22.5	Very low	22.6	Very low	131 Å²	131	140.1 Å²	140.1	79%	0.794	83%	0.827	S	S	*	*			trans	-129.2	72.7	176.4	-169.2	0	0	0	0	110.5
238	T	22.6	Very low	22.7	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	81%	0.813	S	S	*	*			trans	-136	68.6	162.3	47.2	0	0	0	0	109.3
239	K	23.4	Very low	22.7	Very low	190 Å²	190	138.2 Å²	138.2	83%	0.826	82%	0.82	S	S	*	*	S	Bend	trans	176.8	79	152.6	-109.1	-177.7	175.7	-178.3	0	107.6
240	F	23.5	Very low	22.6	Very low	210 Å²	210	141.3 Å²	141.3	92%	0.921	82%	0.821	S	S	*	*	S	Bend	trans	-168.8	116.3	138.4	-92.2	-65.4	0	0	0	105.5
241	G	23.4	Very low	22.4	Very low	76 Å²	76	142.9 Å²	142.9	78%	0.784	83%	0.825	S	S	*	*			trans	-62.7	140.3	-175.6	0	0	0	0	0	111.2	C243	G241-C243 PolarHBondContact O-N 2.88Å
242	T	20.9	Very low	22.3	Very low	142 Å²	142	148.3 Å²	148.3	87%	0.871	84%	0.837	S	S	*	*			trans	-64	116.2	161.6	47.4	0	0	0	0	109.2
243	C	20.6	Very low	22.1	Very low	133 Å²	133	148.1 Å²	148.1	90%	0.899	83%	0.831	S	S	*	*			trans	-122.2	119.5	156.1	-86.8	0	0	0	0	108.5	G241	G241-C243 PolarHBondContact O-N 2.88Å
244	S	20.6	Very low	22	Very low	111 Å²	111	148.9 Å²	148.9	78%	0.776	83%	0.832	S	S	*	*			trans	-74.2	137	175.5	47	0	0	0	0	112
245	V	21.7	Very low	21.9	Very low	139 Å²	139	153 Å²	153	84%	0.842	84%	0.836	S	S	*	*			trans	28.8	112.6	135.8	-170.9	0	0	0	0	117.6
246	S	23.2	Very low	21.6	Very low	109 Å²	109	152 Å²	152	76%	0.762	83%	0.834	S	S	*	*				-168.4	131.5	124.6	55.2	0	0	0	0	110.9	A248	S246-A248 PolarHBondContact O-N 3.02Å
247	S	21.6	Very low	21.6	Very low	125 Å²	125	152.3 Å²	152.3	87%	0.874	83%	0.833	S	S	*	*			trans	-57.5	118.4	167.7	51.7	0	0	0	0	111.4
248	A	23.7	Very low	21.6	Very low	66 Å²	66	151 Å²	151	55%	0.545	83%	0.827	S	S	.	*			trans	-142.3	123.9	158.8	0	0	0	0	0	107.8	S246 D250	S246-A248 PolarHBondContact O-N 3.02Å; A248-D250 PolarHBondContact O-N 3.5Å
249	E	21.8	Very low	21.6	Very low	199 Å²	199	152.7 Å²	152.7	93%	0.93	83%	0.831	S	S	*	*			trans	-68.7	73.1	175.1	-64	174.1	148.6	0	0	109.2	K251	E249-K251 PolarHBondContact O-N 2.76Å
250	D	22.4	Very low	21.7	Very low	134 Å²	134	150.8 Å²	150.8	72%	0.717	83%	0.829	S	S	*	*			trans	-86.9	107.6	-176.9	-77.7	-28.5	0	0	0	110.9	A248 F252	A248-D250 PolarHBondContact O-N 3.5Å; D250-F252 PolarHBondContact O-N 3.34Å
251	K	21	Very low	21.7	Very low	201 Å²	201	146 Å²	146	87%	0.874	82%	0.822	S	S	*	*			trans	-35.1	120.2	160.6	-70.3	168	175.2	172.8	0	110.2	E249 E253	E249-K251 PolarHBondContact O-N 2.76Å; K251-E253 PolarHBondContact O-N 3.05Å
252	F	21	Very low	21.8	Very low	213 Å²	213	149.8 Å²	149.8	93%	0.934	83%	0.825	S	S	*	*			trans	-64	98.7	174.9	-85	-94.8	0	0	0	110.2	D250	D250-F252 PolarHBondContact O-N 3.34Å
253	E	20.4	Very low	22	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	81%	0.811	S	S	*	*			trans	-67.5	135.2	156.1	-96.2	-179.8	158.4	0	0	109.2	K251 L255	K251-E253 PolarHBondContact O-N 3.05Å; E253-L255 PolarHBondContact O-N 3.03Å
254	M	19.8	Very low	22.1	Very low	188 Å²	188	144.7 Å²	144.7	93%	0.926	81%	0.806	S	S	*	*			trans	-52.4	107.1	174.3	-86.7	171.6	31.8	0	0	110.8
255	L	20.2	Very low	22.2	Very low	163 Å²	163	147 Å²	147	85%	0.853	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.8	118.8	165.5	-93.3	137.5	0	0	0	109	E253	E253-L255 PolarHBondContact O-N 3.03Å
256	E	19.6	Very low	22.2	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-56.9	138.5	172.6	-83.7	-177.8	144.3	0	0	111.8
257	M	19.8	Very low	22.1	Very low	177 Å²	177	152.8 Å²	152.8	87%	0.872	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.9	-173.9	-64	-107.3	-85.1	0	0	112.1
258	P	23	Very low	22.1	Very low	104 Å²	104	151.6 Å²	151.6	68%	0.675	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.4	131	166.6	-10	25.5	0	0	0	110.7	L260	P258-L260 HydrophobicContact CB-CD1 4.13Å; P258-L260 PolarHBondContact O-N 3.11Å
259	N	22.3	Very low	22.1	Very low	171 Å²	171	158 Å²	158	91%	0.914	82%	0.819	S	S	*	*			trans	-56.7	101.1	171.8	-80.3	-39.8	0	0	0	111.2
260	L	24.5	Very low	22.2	Very low	149 Å²	149	153.3 Å²	153.3	78%	0.78	80%	0.803	S	S	*	*			trans	-105.8	106.4	172.5	-98.9	88.6	0	0	0	110.8	P258	P258-L260 HydrophobicContact CB-CD1 4.13Å; P258-L260 PolarHBondContact O-N 3.11Å
261	S	24.9	Very low	22.4	Very low	111 Å²	111	149.6 Å²	149.6	78%	0.776	79%	0.788	S	S	*	*			trans	-92.7	19.5	-178.4	51.3	0	0	0	0	115.3
262	N	25.3	Very low	22.5	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	78%	0.775	S	S	*	*			trans	-131.3	19.9	-167.9	-85.8	-18.8	0	0	0	117.5
263	A	23.6	Very low	22.9	Very low	72 Å²	72	144.5 Å²	144.5	60%	0.595	77%	0.768	S	S	*	*			trans	-104.6	8.6	-176.4	0	0	0	0	0	116.4	N265	A263-N265 VanDerWaalsContact C-N 3.29Å; A263-N265 PolarHBondContact O-N 3.07Å
264	A	23.5	Very low	23.3	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-5.2	-173.8	0	0	0	0	0	116.1
265	N	23	Very low	23.5	Very low	160 Å²	160	137.7 Å²	137.7	86%	0.856	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	22.8	-169.4	-77.3	-8	0	0	0	116.1	A263	A263-N265 VanDerWaalsContact C-N 3.29Å; A263-N265 PolarHBondContact O-N 3.07Å
266	R	21.5	Very low	23.8	Very low	208 Å²	208	137.1 Å²	137.1	79%	0.785	73%	0.732	S	S	*	*			trans	-134.6	11.8	-174.9	-81.4	-165.8	159.7	-157.2	-6.7	118.3
267	L	20.9	Very low	24.1	Very low	161 Å²	161	132.7 Å²	132.7	84%	0.843	73%	0.727	S	S	*	*			trans	-104.4	83.3	176.2	-70.8	166.4	0	0	0	110.7
268	S	22.8	Very low	24.3	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	72%	0.716	S	S	*	*			trans	-90.3	134.4	165.6	56.2	0	0	0	0	109.7
269	F	23.8	Very low	24.4	Very low	202 Å²	202	130.9 Å²	130.9	89%	0.886	72%	0.721	S	S	*	*			trans	87.3	72	170.3	-120	-93.3	0	0	0	117.4
270	V	22.1	Very low	24.3	Very low	99 Å²	99	125.9 Å²	125.9	60%	0.6	70%	0.699	S	S	*	*	S	Bend	trans	-103	133	137.9	176.1	0	0	0	0	105.6	R272 I275	V270-R272 PolarHBondContact O-N 2.96Å; V270-I275 HydrophobicContact CB-CD1 4.11Å; V270-I275 HydrophobicContact CG1-CD1 4.14Å; V270-I275 HydrophobicContact CG1-CG1 4.2Å
271	S	27	Very low	24.3	Very low	57 Å²	57	124 Å²	124	40%	0.399	70%	0.699	S	S	.	*			trans	-49.3	128.5	176.8	178.8	0	0	0	0	110.1	D273 L274	S271-D273 PolarHBondContact O-N 3.5Å; S271-L274 PolarHBondContact O-N 3.08Å
272	R	23	Very low	24.5	Very low	162 Å²	162	123.7 Å²	123.7	61%	0.611	70%	0.696	S	S	*	*	H	α-helix	trans	-54.1	-23	-179.7	-104.4	-176.4	179.5	169.2	4	112.8	V270 L274 K1024	V270-R272 PolarHBondContact O-N 2.96Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.18Å; R272-K1024 VanDerWaalsContact CZ-CE 3.47Å
273	D	28.9	Very low	24.5	Very low	144 Å²	144	125.4 Å²	125.4	77%	0.77	70%	0.699	S	S	*	*	H	α-helix	trans	-72.3	-18.7	-175.8	-56	-27.3	0	0	0	113.4	S271	S271-D273 PolarHBondContact O-N 3.5Å
274	L	28.8	Very low	24.5	Very low	114 Å²	114	127.4 Å²	127.4	60%	0.597	71%	0.709	S	S	*	*	H	α-helix	trans	-96.9	-17.6	-178.9	-89.6	157.1	0	0	0	114.5	S271 R272	S271-L274 PolarHBondContact O-N 3.08Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.18Å
275	I	25.6	Very low	24.7	Very low	104 Å²	104	128.4 Å²	128.4	53%	0.533	71%	0.71	S	S	.	*	H	α-helix	trans	-86.6	-13.6	-178.2	-62.4	179	0	0	0	112.2	V270 A277	V270-I275 HydrophobicContact CB-CD1 4.11Å; V270-I275 HydrophobicContact CG1-CD1 4.14Å; V270-I275 HydrophobicContact CG1-CG1 4.2Å; I275-A277 PolarHBondContact O-N 3.43Å; I275-A277 VanDerWaalsContact O-N 3.16Å
276	Q	25.4	Very low	24.8	Very low	151 Å²	151	126.4 Å²	126.4	71%	0.706	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-3.7	-178.3	-162.3	149.6	-26.2	0	0	114.7
277	A	26.1	Very low	25	Very low	90 Å²	90	126.6 Å²	126.6	74%	0.744	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	4.2	-179.7	0	0	0	0	0	115.2	I275	I275-A277 PolarHBondContact O-N 3.43Å; I275-A277 VanDerWaalsContact O-N 3.16Å
278	S	24.6	Very low	25.1	Very low	94 Å²	94	124.2 Å²	124.2	66%	0.657	70%	0.704	S	S	*	*	S	Bend	trans	-151.8	69.7	-173.9	-59.4	0	0	0	0	113.5
279	I	23.9	Very low	25.1	Very low	150 Å²	150	127.8 Å²	127.8	77%	0.769	71%	0.71	S	S	*	*			trans	-160	94.5	136.2	-76.7	124.9	0	0	0	106
280	S	21.9	Very low	25	Very low	66 Å²	66	123.5 Å²	123.5	46%	0.462	71%	0.705	S	S	.	*			trans	-142	118.4	149.5	55.8	0	0	0	0	107.7	R314	S280-R314 PolarHBondContact O-NH1 3.38Å; S280-R314 VanDerWaalsContact OG-CZ 3.3Å; S280-R314 PolarHBondContact OG-NH1 2.87Å; S280-R314 PolarHBondContact OG-NH2 3.21Å; S280-R314 VanDerWaalsContact OG-NH2 3.1Å
281	S	24.4	Very low	25	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	71%	0.712	S	S	*	*			trans	56.7	144	169.8	58.7	0	0	0	0	117.3
282	S	27.6	Very low	24.7	Very low	103 Å²	103	131 Å²	131	72%	0.72	74%	0.736	S	S	*	*			cis	-154.9	129	16.4	40.7	0	0	0	0	107.7
283	E	25.9	Very low	24.7	Very low	192 Å²	192	128 Å²	128	90%	0.897	75%	0.746	S	S	*	*				67	132.5	104.6	-64.8	-160	156.5	0	0	118
284	S	24.7	Very low	24.3	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	75%	0.752	S	S	*	*			trans	-60	141	-177.3	49.8	0	0	0	0	115.7
285	S	26.2	Very low	23.9	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	77%	0.766	S	S	*	*				-146.1	130.1	128.9	67.7	0	0	0	0	110
286	P	25.4	Very low	23.7	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	78%	0.783	S	S	*	*			trans	-99.5	124.2	176	33.5	-25	0	0	0	110.2
287	F	26.1	Very low	23.6	Very low	212 Å²	212	135.4 Å²	135.4	93%	0.93	79%	0.79	S	S	*	*			trans	-146.7	153.1	159.7	-126.6	-89.7	0	0	0	110.8
288	V	23.1	Very low	23.4	Very low	111 Å²	111	140.5 Å²	140.5	67%	0.673	80%	0.796	S	S	*	*			trans	-94.7	148.6	-149.7	168.8	0	0	0	0	112.7
289	E	22.2	Very low	23.3	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	81%	0.806	S	S	*	*			trans	69.5	133.1	155.1	-80.2	166.2	178.5	0	0	123.6
290	S	22.5	Very low	23.4	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	81%	0.809	S	S	*	*			trans	72	94.1	160.5	70.3	0	0	0	0	117
291	S	22.3	Very low	23.5	Very low	106 Å²	106	150 Å²	150	74%	0.741	83%	0.833	S	S	*	*				45.3	115.8	76.8	-74.8	0	0	0	0	116
292	F	21	Very low	23.6	Very low	207 Å²	207	147.7 Å²	147.7	91%	0.908	83%	0.827	S	S	*	*			trans	82.4	75.6	162	-62.7	-80	0	0	0	119.7
293	A	21.7	Very low	23.5	Very low	98 Å²	98	149.6 Å²	149.6	81%	0.81	83%	0.834	S	S	*	*			trans	-161.2	74.1	143.9	0	0	0	0	0	111.9
294	Y	22.1	Very low	23.4	Very low	232 Å²	232	144.2 Å²	144.2	91%	0.91	83%	0.83	S	S	*	*			trans	-139.2	21.3	167.9	-139.1	-93.8	0	0	0	115.3
295	L	19.6	Very low	23.6	Very low	167 Å²	167	145.3 Å²	145.3	87%	0.874	83%	0.832	S	S	*	*	S	Bend	trans	-106.5	15.1	173	-91.8	175.8	0	0	0	115.4
296	N	20.7	Very low	23.5	Very low	166 Å²	166	147.1 Å²	147.1	89%	0.888	83%	0.832	S	S	*	*			trans	-149.6	91.9	171.6	-82.8	-41.7	0	0	0	112.5
297	A	23.4	Very low	23.5	Very low	105 Å²	105	146.6 Å²	146.6	87%	0.868	83%	0.831	S	S	*	*			trans	-157.4	79.8	152.2	0	0	0	0	0	109.6
298	K	21.8	Very low	23.5	Very low	197 Å²	197	141.4 Å²	141.4	86%	0.857	82%	0.821	S	S	*	*			trans	-67.3	142.1	153.3	-115.9	179.8	179.1	179.6	0	107.8
299	E	22.7	Very low	23.6	Very low	185 Å²	185	144 Å²	144	86%	0.864	83%	0.83	S	S	*	*			trans	76.7	98.8	162.3	-61.3	-179.3	173.4	0	0	118.4
300	A	26.7	Very low	23.8	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	82%	0.819	S	S	*	*			trans	-146.4	95.5	139.7	0	0	0	0	0	110	G302	A300-G302 PolarHBondContact O-N 3.2Å
301	K	23.3	Very low	23.9	Very low	222 Å²	222	145.4 Å²	145.4	97%	0.965	83%	0.826	S	S	*	*			trans	-63.7	121.6	154.4	-82.2	174.4	172.9	172.6	0	107.2
302	G	26.1	Very low	24	Very low	61 Å²	61	149.7 Å²	149.7	63%	0.629	83%	0.834	S	S	*	*			trans	-175.9	94.8	176	0	0	0	0	0	113.9	A300	A300-G302 PolarHBondContact O-N 3.2Å
303	T	25.2	Very low	24.3	Very low	143 Å²	143	148.5 Å²	148.5	88%	0.877	83%	0.832	S	S	*	*			trans	61.7	112	140	59.3	0	0	0	0	118.7
304	G	25.4	Very low	24.6	Very low	79 Å²	79	152.7 Å²	152.7	81%	0.814	83%	0.826	S	S	*	*			trans	-61.6	152	178.8	0	0	0	0	0	115.7
305	V	27.8	Very low	25.2	Very low	136 Å²	136	146.3 Å²	146.3	82%	0.824	82%	0.816	S	S	*	*			trans	-142.3	129.7	152.6	-179.2	0	0	0	0	105.7	S307	V305-S307 PolarHBondContact O-N 2.72Å
306	D	24.9	Very low	26.2	Very low	156 Å²	156	144.1 Å²	144.1	83%	0.834	81%	0.809	S	S	*	*			trans	-49.4	118.6	174.8	-96.9	-44.8	0	0	0	112
307	S	25.6	Very low	27.7	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	80%	0.797	S	S	*	*			trans	-121.8	79.4	166.2	63.3	0	0	0	0	109	V305	V305-S307 PolarHBondContact O-N 2.72Å
308	S	26.2	Very low	30.2	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	77%	0.77	S	S	*	*			trans	-94.5	16.8	179.8	48.5	0	0	0	0	114.2
309	I	25.3	Very low	33.5	Very low	165 Å²	165	129.5 Å²	129.5	85%	0.846	73%	0.733	S	S	*	*	S	Bend	trans	-122.4	14.5	-176.1	-56.6	177.6	0	0	0	113.7
310	A	24.6	Very low	36.8	Very low	73 Å²	73	120.9 Å²	120.9	60%	0.603	69%	0.693	S	S	*	*			trans	-120.5	38.3	-176.3	0	0	0	0	0	115
311	R	25.8	Very low	40.2	Very low	244 Å²	244	116 Å²	116	92%	0.921	65%	0.653	S	S	*	*			trans	-109.6	16	-172.2	-122.6	-178.6	-178.3	133.6	1.4	117.4
312	E	25	Very low	43.7	Very low	195 Å²	195	106.8 Å²	106.8	91%	0.911	61%	0.612	S	S	*	*			trans	-106.7	26.9	172.9	-74.6	-174.6	167.9	0	0	113.7	R314	E312-R314 PolarHBondContact O-N 3.24Å
313	E	27.1	Very low	47.1	Very low	183 Å²	183	104 Å²	104	86%	0.855	58%	0.582	S	S	*	*			trans	-66.4	100.3	168.7	-78.4	-175.1	164	0	0	110.7	S315	E313-S315 PolarHBondContact O-N 3.49Å
314	R	28	Very low	50.5	Low	186 Å²	186	97.5 Å²	97.5	70%	0.702	54%	0.542	S	S	*	.			trans	-14.5	102.7	163.6	-74.2	167.8	172.9	167.3	-8.8	114.2	S280 E312 V316	S280-R314 PolarHBondContact O-NH1 3.38Å; S280-R314 VanDerWaalsContact OG-CZ 3.3Å; S280-R314 PolarHBondContact OG-NH1 2.87Å; S280-R314 PolarHBondContact OG-NH2 3.21Å; S280-R314 VanDerWaalsContact OG-NH2 3.1Å; E312-R314 PolarHBondContact O-N 3.24Å; R314-V316 PolarHBondContact O-N 3.09Å; R314-V316 VanDerWaalsContact O-N 3.13Å
315	S	33.5	Very low	53.9	Low	98 Å²	98	93.7 Å²	93.7	69%	0.685	50%	0.503	S	S	*	.			trans	-63.2	107.9	172.5	-178.4	0	0	0	0	110.3	E313 T317	E313-S315 PolarHBondContact O-N 3.49Å; S315-T317 PolarHBondContact O-N 2.76Å; S315-T317 VanDerWaalsContact O-N 3.15Å
316	V	42.2	Very low	57.1	Low	120 Å²	120	88.1 Å²	88.1	73%	0.727	47%	0.468	S	S	*	.			trans	-45.7	122.7	150.2	174.9	0	0	0	0	106.3	R314 S318	R314-V316 PolarHBondContact O-N 3.09Å; R314-V316 VanDerWaalsContact O-N 3.13Å; V316-S318 PolarHBondContact O-N 2.75Å
317	T	51.1	Low	60.5	Low	104 Å²	104	80.7 Å²	80.7	64%	0.638	43%	0.429	S	S	*	.			trans	-57.6	107.1	179.3	44	0	0	0	0	108.1	S315 T319	S315-T317 PolarHBondContact O-N 2.76Å; S315-T317 VanDerWaalsContact O-N 3.15Å; T317-T319 PolarHBondContact O-N 3.04Å
318	S	75.6	Confident	63.7	Low	44 Å²	44	81.8 Å²	81.8	31%	0.308	42%	0.42	S	S	.	.			trans	-71.4	130	-178.6	-174.9	0	0	0	0	108.4	K146 V316	K146-S318 WeakPolarHBondContact CA-O 3.33Å; K146-S318 WeakPolarHBondContact CB-O 3.41Å; K146-S318 WeakPolarHBondContact CD-OG 3.5Å; K146-S318 PolarHBondContact N-O 3.2Å; V316-S318 PolarHBondContact O-N 2.75Å
319	T	90.8	Very high	66.9	Low	13 Å²	13	78.5 Å²	78.5	8%	0.08	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	153.5	-178.3	53.8	0	0	0	0	110.3	L131 L143 V144 T317 I354	L131-T319 HydrophobicContact CD1-CG2 4.28Å; L143-T319 HydrophobicContact CD1-CG2 4.48Å; V144-T319 CarbonylContact O-C 3.54Å; V144-T319 WeakPolarHBondContact O-CA 3.2Å; T317-T319 PolarHBondContact O-N 3.04Å; T319-I354 WeakPolarHBondContact CB-O 3.37Å; T319-I354 WeakPolarHBondContact CG2-O 3.38Å; T319-I354 PolarHBondContact OG1-N 2.96Å; T319-I354 PolarHBondContact OG1-O 2.92Å; T319-I354 VanDerWaalsContact OG1-O 3.05Å
320	E	93.8	Very high	70.1	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.019	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.4	170.9	-61.6	175.8	-167.9	0	0	110.2	R128 V144 K146 W322 R345	R128-E320 IonicContact CZ-OE1 3.52Å; R128-E320 IonicContact CZ-OE2 2.88Å; R128-E320 IonicContact NE-OE2 2.73Å; R128-E320 IonicContact NH1-OE1 3.49Å; R128-E320 PolarHBondContact NH1-OE1 2.96Å; R128-E320 IonicContact NH1-OE2 3.21Å; R128-E320 PolarHBondContact NH1-OE2 3.28Å; R128-E320 IonicContact NH2-OE1 3.6Å; R128-E320 PolarHBondContact NH2-OE1 3.29Å; R128-E320 IonicContact NH2-OE2 3.23Å; R128-E320 PolarHBondContact NH2-OE2 3.29Å; V144-E320 HydrophobicContact CG2-CB 3.83Å; V144-E320 PolarHBondContact N-O 3.25Å; V144-E320 PolarHBondContact O-N 3.44Å; K146-E320 HydrophobicContact CB-CG 3.93Å; K146-E320 HydrophobicContact CG-CG 4.1Å; K146-E320 WeakPolarHBondContact CG-OE1 3.46Å; E320-W322 PolarHBondContact OE2-NE1 2.75Å; E320-R345 IonicContact OE1-CZ 2.65Å; E320-R345 VanDerWaalsContact OE1-CZ 3.27Å; E320-R345 IonicContact OE1-NE 2.75Å; E320-R345 IonicContact OE1-NH1 2.88Å; E320-R345 PolarHBondContact OE1-NH1 2.83Å; E320-R345 IonicContact OE1-NH2 2.78Å; E320-R345 WeakPolarHBondContact OE2-CD 3.4Å; E320-R345 IonicContact OE2-CZ 3.73Å; E320-R345 IonicContact OE2-NE 2.95Å
321	V	96.6	Very high	73.5	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.6	173.2	-180	0	0	0	0	108.9	V141 L143 T323 L346 L349 I354	V141-V321 HydrophobicContact CG2-CG1 3.79Å; L143-V321 HydrophobicContact CD1-CG2 4.03Å; V321-T323 HydrophobicContact CG1-CG2 4.31Å; V321-L346 HydrophobicContact CB-CB 4.42Å; V321-L346 HydrophobicContact CG1-CB 4.47Å; V321-L346 HydrophobicContact CG1-CD2 4.32Å; V321-L346 PolarHBondContact O-N 3.08Å; V321-L349 HydrophobicContact CB-CD1 4.41Å; V321-L349 HydrophobicContact CG2-CB 4.47Å; V321-L349 HydrophobicContact CG2-CD1 4.17Å; V321-I354 HydrophobicContact CG2-CB 3.93Å; V321-I354 HydrophobicContact CG2-CG1 3.86Å; V321-I354 HydrophobicContact CG2-CG2 3.95Å
322	W	97.4	Very high	76.8	Confident	29 Å²	29	56 Å²	56	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139	176.8	-69.9	63.3	0	0	0	110.2	L125 V141 V142 E320 P343 E344 R345	L125-W322 HydrophobicContact CD2-CB 4.39Å; L125-W322 HydrophobicContact CD2-CD2 3.5Å; L125-W322 HydrophobicContact CD2-CE3 3.62Å; L125-W322 HydrophobicContact CD2-CG 3.87Å; L125-W322 HydrophobicContact CD2-CH2 4.42Å; L125-W322 HydrophobicContact CD2-CZ2 4.33Å; L125-W322 HydrophobicContact CD2-CZ3 4.08Å; V141-W322 WeakPolarHBondContact CA-O 3.46Å; V142-W322 HydrophobicContact CG2-CB 3.71Å; V142-W322 PolarHBondContact N-O 2.82Å; V142-W322 PolarHBondContact O-N 3.26Å; E320-W322 PolarHBondContact OE2-NE1 2.75Å; W322-P343 HydrophobicContact CE3-CB 3.74Å; W322-P343 HydrophobicContact CZ3-CB 4.37Å; W322-P343 WeakPolarHBondContact CZ3-O 3.49Å; W322-E344 CarbonylContact C-O 3.57Å; W322-E344 VanDerWaalsContact CA-O 3.23Å; W322-E344 WeakPolarHBondContact CA-O 3.33Å; W322-R345 HydrophobicContact CD2-CB 3.9Å; W322-R345 HydrophobicContact CE3-CB 4.25Å; W322-R345 HydrophobicContact CG-CB 4.45Å; W322-R345 HydrophobicContact CH2-CB 4.15Å; W322-R345 HydrophobicContact CZ2-CB 3.76Å; W322-R345 HydrophobicContact CZ2-CG 4.3Å; W322-R345 HydrophobicContact CZ3-CB 4.37Å
323	T	97.8	Very high	80.1	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.9	-176.5	57.2	0	0	0	0	111.8	Y140 V141 V321 L332 E344	Y140-T323 VanDerWaalsContact O-CA 3.25Å; Y140-T323 WeakPolarHBondContact O-CA 3.48Å; V141-T323 HydrophobicContact CB-CG2 4.12Å; V141-T323 HydrophobicContact CG2-CG2 3.91Å; V321-T323 HydrophobicContact CG1-CG2 4.31Å; T323-L332 PolarHBondContact OG1-O 3.43Å; T323-E344 PolarHBondContact N-O 2.87Å; T323-E344 PolarHBondContact O-N 3.35Å
324	W	96.8	Very high	83.1	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	175.7	170.1	68.8	102.5	0	0	0	111.8	L95 L103 H139 Y140 V142 L332 R340 E342 P343	L95-W324 HydrophobicContact CD1-CH2 3.91Å; L95-W324 HydrophobicContact CD1-CZ2 3.7Å; L95-W324 HydrophobicContact CD2-CZ2 4.05Å; L103-W324 HydrophobicContact CD2-CH2 3.62Å; L103-W324 HydrophobicContact CD2-CZ2 4.16Å; H139-W324 CarbonylContact C-O 3.59Å; H139-W324 WeakPolarHBondContact CA-O 3.34Å; Y140-W324 VanDerWaalsContact CB-CE2 3.48Å; Y140-W324 AromaticContact CD2-CD1 3.5Å; Y140-W324 VanDerWaalsContact CD2-CD1 3.5Å; Y140-W324 HydrophobicContact CD2-CD2 4.21Å; Y140-W324 AromaticContact CD2-CE2 3.7Å; Y140-W324 HydrophobicContact CD2-CG 4.08Å; Y140-W324 HydrophobicContact CD2-CZ2 4.33Å; Y140-W324 AromaticContact CD2-NE1 3.21Å; Y140-W324 WeakPolarHBondContact CD2-O 3.27Å; Y140-W324 AromaticContact CE2-NE1 3.89Å; Y140-W324 HydrophobicContact CG-CD2 4.38Å; Y140-W324 AromaticContact CG-CE2 3.76Å; Y140-W324 AromaticContact CG-CZ2 3.94Å; Y140-W324 HydrophobicContact CG-CZ2 3.94Å; Y140-W324 AromaticContact CG-NE1 3.74Å; Y140-W324 PolarHBondContact N-O 2.64Å; Y140-W324 PolarHBondContact O-N 2.81Å; Y140-W324 VanDerWaalsContact O-N 3.12Å; V142-W324 HydrophobicContact CB-CZ3 4.49Å; V142-W324 HydrophobicContact CG1-CH2 3.75Å; V142-W324 HydrophobicContact CG1-CZ3 3.94Å; V142-W324 HydrophobicContact CG2-CH2 4.4Å; V142-W324 HydrophobicContact CG2-CZ3 3.84Å; W324-L332 VanDerWaalsContact C-CD2 3.41Å; W324-L332 VanDerWaalsContact O-CD2 3.23Å; W324-L332 WeakPolarHBondContact O-CD2 3.38Å; W324-R340 HydrophobicContact CB-CB 4.18Å; W324-E342 VanDerWaalsContact CB-C 3.5Å; W324-E342 VanDerWaalsContact CB-O 3.23Å; W324-E342 WeakPolarHBondContact CB-O 3.17Å; W324-P343 HydrophobicContact CD2-CB 4.22Å; W324-P343 HydrophobicContact CD2-CG 3.83Å; W324-P343 HydrophobicContact CE3-CB 3.69Å; W324-P343 HydrophobicContact CE3-CG 3.68Å; W324-P343 HydrophobicContact CG-CG 4.39Å; W324-P343 HydrophobicContact CH2-CG 4.46Å; W324-P343 HydrophobicContact CZ3-CB 4.15Å; W324-P343 HydrophobicContact CZ3-CG 4.02Å
325	G	96	Very high	86	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.4	-145.4	-179.9	0	0	0	0	0	112.8	G138 N339 R340	G138-G325 WeakPolarHBondContact O-CA 3.38Å; G325-N339 WeakPolarHBondContact O-CA 3.33Å; G325-N339 WeakPolarHBondContact O-CB 3.24Å; G325-R340 VanDerWaalsContact CA-O 3.28Å; G325-R340 WeakPolarHBondContact CA-O 3.2Å; G325-R340 PolarHBondContact N-O 3.23Å; G325-R340 PolarHBondContact O-N 3.11Å
326	L	95.5	Very high	88.8	Confident	18 Å²	18	31.3 Å²	31.3	9%	0.094	17%	0.174	C	C	.	.			trans	-65.6	135	178.9	-70.4	175.5	0	0	0	111.5	Y92 L110 F137 G138 H139 Q331 N339	Y92-L326 HydrophobicContact CE2-CD1 4.05Å; L110-L326 HydrophobicContact CD1-CD2 3.76Å; L110-L326 HydrophobicContact CD1-CG 3.96Å; L110-L326 HydrophobicContact CG-CD2 4.44Å; F137-L326 HydrophobicContact CD1-CD1 4.15Å; G138-L326 PolarHBondContact O-N 3.27Å; H139-L326 VanDerWaalsContact CB-O 3.31Å; H139-L326 WeakPolarHBondContact CB-O 3.48Å; L326-Q331 PolarHBondContact O-OE1 3.49Å; L326-N339 WeakPolarHBondContact CA-OD1 3.44Å
327	N	95.7	Very high	91.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.			trans	-133.8	13.8	179.9	-159	26.5	0	0	0	113.7	L329 G330 Q331 L332 D336 C337 D338 N339	N327-L329 PolarHBondContact O-N 2.68Å; N327-G330 PolarHBondContact O-N 2.81Å; N327-G330 WeakPolarHBondContact OD1-CA 3.27Å; N327-Q331 PolarHBondContact OD1-N 2.96Å; N327-L332 HydrophobicContact CB-CB 4.4Å; N327-L332 HydrophobicContact CB-CD1 3.63Å; N327-L332 HydrophobicContact CB-CG 3.64Å; N327-L332 VanDerWaalsContact CG-CG 3.46Å; N327-L332 WeakPolarHBondContact OD1-CB 3.35Å; N327-L332 WeakPolarHBondContact OD1-CG 3.4Å; N327-L332 PolarHBondContact OD1-N 3.08Å; N327-D336 PolarHBondContact ND2-O 3.08Å; N327-D336 PolarHBondContact ND2-OD1 3.49Å; N327-C337 CarbonylContact C-O 3.59Å; N327-C337 WeakPolarHBondContact ND2-CA 3.45Å; N327-C337 CarbonylContact O-C 2.93Å; N327-C337 VanDerWaalsContact O-C 3.29Å; N327-C337 WeakPolarHBondContact O-CA 3.33Å; N327-C337 WeakPolarHBondContact O-CB 3.23Å; N327-C337 VanDerWaalsContact O-O 3.07Å; N327-D338 WeakPolarHBondContact CB-O 3.32Å; N327-D338 PolarHBondContact ND2-N 3.35Å; N327-D338 PolarHBondContact ND2-O 2.67Å; N327-D338 VanDerWaalsContact ND2-O 3.14Å; N327-N339 PolarHBondContact N-OD1 3.49Å
328	K	92.4	Very high	93.2	Very high	129 Å²	129	27.8 Å²	27.8	56%	0.561	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.4	-175	-67	180	-177.8	167	0	114	E111	E111-K328 IonicContact OE2-NZ 2.74Å
329	L	93.8	Very high	94.1	Very high	35 Å²	35	28.6 Å²	28.6	18%	0.183	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	23.5	177.2	-47.3	167.4	0	0	0	111.3	N327 Q331 F362 G377 S378 Y391	N327-L329 PolarHBondContact O-N 2.68Å; L329-Q331 VanDerWaalsContact CB-NE2 3.26Å; L329-Q331 PolarHBondContact O-N 3.22Å; L329-F362 HydrophobicContact CD1-CB 4.12Å; L329-G377 CarbonylContact O-C 3.58Å; L329-G377 WeakPolarHBondContact O-CA 3.07Å; L329-S378 PolarHBondContact O-N 3.35Å; L329-Y391 WeakPolarHBondContact O-CB 3.39Å
330	G	93.1	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	71.9	23.5	179	0	0	0	0	0	114.8	N327 L332 G333	N327-G330 PolarHBondContact O-N 2.81Å; N327-G330 WeakPolarHBondContact OD1-CA 3.27Å; G330-L332 PolarHBondContact O-N 3.14Å; G330-L332 VanDerWaalsContact O-N 3.17Å; G330-G333 PolarHBondContact O-N 3.22Å
331	Q	95.1	Very high	94.1	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.6	-175.2	-56.5	94.2	-18	0	0	114.8	H139 L326 N327 L329 F362 T364 W376	H139-Q331 HydrophobicContact CB-CB 4.2Å; L326-Q331 PolarHBondContact O-OE1 3.49Å; N327-Q331 PolarHBondContact OD1-N 2.96Å; L329-Q331 VanDerWaalsContact CB-NE2 3.26Å; L329-Q331 PolarHBondContact O-N 3.22Å; Q331-F362 WeakPolarHBondContact CG-O 3.5Å; Q331-T364 PolarHBondContact O-OG1 2.8Å; Q331-W376 VanDerWaalsContact O-CD1 3.27Å; Q331-W376 PolarHBondContact O-NE1 3.4Å
332	L	96.5	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.9	-179.8	-56.7	-172.5	0	0	0	113.4	H139 T323 W324 N327 G330 C334 R340	H139-L332 HydrophobicContact CB-CD2 3.97Å; T323-L332 PolarHBondContact OG1-O 3.43Å; W324-L332 VanDerWaalsContact C-CD2 3.41Å; W324-L332 VanDerWaalsContact O-CD2 3.23Å; W324-L332 WeakPolarHBondContact O-CD2 3.38Å; N327-L332 HydrophobicContact CB-CB 4.4Å; N327-L332 HydrophobicContact CB-CD1 3.63Å; N327-L332 HydrophobicContact CB-CG 3.64Å; N327-L332 VanDerWaalsContact CG-CG 3.46Å; N327-L332 WeakPolarHBondContact OD1-CB 3.35Å; N327-L332 WeakPolarHBondContact OD1-CG 3.4Å; N327-L332 PolarHBondContact OD1-N 3.08Å; G330-L332 PolarHBondContact O-N 3.14Å; G330-L332 VanDerWaalsContact O-N 3.17Å; L332-C334 VanDerWaalsContact C-N 3.29Å; L332-C334 PolarHBondContact O-N 3.19Å; L332-R340 HydrophobicContact CD1-CB 3.91Å; L332-R340 HydrophobicContact CD1-CG 3.61Å
333	G	93.5	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.			trans	81.7	1.7	178.3	0	0	0	0	0	114.7	G330 T335 L346 W376 A393 P395	G330-G333 PolarHBondContact O-N 3.22Å; G333-T335 PolarHBondContact O-N 3.36Å; G333-T335 VanDerWaalsContact O-N 3.11Å; G333-L346 VanDerWaalsContact C-CD1 3.47Å; G333-L346 WeakPolarHBondContact O-CD1 3.29Å; G333-W376 VanDerWaalsContact CA-CD1 3.42Å; G333-W376 VanDerWaalsContact N-CD1 3.28Å; G333-A393 CarbonylContact C-O 3.01Å; G333-A393 WeakPolarHBondContact CA-O 3.44Å; G333-A393 VanDerWaalsContact O-O 3.11Å; G333-P395 WeakPolarHBondContact O-CD 3.46Å
334	C	90.1	Very high	93.6	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.095	22%	0.221	C	C	.	.	S	Bend	trans	-80.2	19	-173	-54.7	0	0	0	0	114.7	L332 D336 A393	L332-C334 VanDerWaalsContact C-N 3.29Å; L332-C334 PolarHBondContact O-N 3.19Å; C334-D336 PolarHBondContact O-N 3.23Å; C334-D336 VanDerWaalsContact O-N 3.15Å; C334-A393 PolarHBondContact N-O 2.83Å
335	T	89.1	Confident	93.5	Very high	91 Å²	91	46.4 Å²	46.4	56%	0.558	23%	0.233	S	C	*	.	S	Bend	trans	67.2	1.5	-177.9	73.4	0	0	0	0	116.1	G333 I348 A393 E394	G333-T335 PolarHBondContact O-N 3.36Å; G333-T335 VanDerWaalsContact O-N 3.11Å; T335-I348 HydrophobicContact CG2-CD1 3.61Å; T335-A393 WeakPolarHBondContact CA-O 3.47Å; T335-A393 PolarHBondContact N-O 3.43Å; T335-E394 HydrophobicContact CG2-CB 4.21Å
336	D	91.9	Very high	93.5	Very high	39 Å²	39	46.6 Å²	46.6	21%	0.209	23%	0.234	C	C	.	.	S	Bend	trans	-125.3	-178.7	173.8	68.7	76.1	0	0	0	112	N327 C334 D338 R340	N327-D336 PolarHBondContact ND2-O 3.08Å; N327-D336 PolarHBondContact ND2-OD1 3.49Å; C334-D336 PolarHBondContact O-N 3.23Å; C334-D336 VanDerWaalsContact O-N 3.15Å; D336-D338 WeakPolarHBondContact OD1-CB 3.27Å; D336-D338 PolarHBondContact OD1-N 3.02Å; D336-R340 IonicContact OD1-CZ 3.64Å; D336-R340 IonicContact OD1-NH1 3.91Å; D336-R340 PolarHBondContact OD1-NH1 3.02Å; D336-R340 IonicContact OD1-NH2 3.06Å; D336-R340 IonicContact OD2-CZ 3.6Å; D336-R340 IonicContact OD2-NH1 2.61Å; D336-R340 IonicContact OD2-NH2 2.74Å; D336-R340 PolarHBondContact OD2-NH2 2.72Å
337	C	92.7	Very high	93.2	Very high	39 Å²	39	49.5 Å²	49.5	26%	0.264	26%	0.256	S	S	.	.			trans	-121.8	20.7	177.9	-60.2	0	0	0	0	113.3	N327 Y391	N327-C337 CarbonylContact C-O 3.59Å; N327-C337 WeakPolarHBondContact ND2-CA 3.45Å; N327-C337 CarbonylContact O-C 2.93Å; N327-C337 VanDerWaalsContact O-C 3.29Å; N327-C337 WeakPolarHBondContact O-CA 3.33Å; N327-C337 WeakPolarHBondContact O-CB 3.23Å; N327-C337 VanDerWaalsContact O-O 3.07Å; C337-Y391 WeakPolarHBondContact SG-CE2 3.37Å
338	D	93.8	Very high	93.1	Very high	111 Å²	111	53.5 Å²	53.5	59%	0.594	28%	0.276	S	S	*	.			trans	-88.5	135.4	-179.1	-66.1	-42.1	0	0	0	110.6	N327 D336 R340	N327-D338 WeakPolarHBondContact CB-O 3.32Å; N327-D338 PolarHBondContact ND2-N 3.35Å; N327-D338 PolarHBondContact ND2-O 2.67Å; N327-D338 VanDerWaalsContact ND2-O 3.14Å; D336-D338 WeakPolarHBondContact OD1-CB 3.27Å; D336-D338 PolarHBondContact OD1-N 3.02Å; D338-R340 VanDerWaalsContact CB-NH1 3.3Å; D338-R340 PolarHBondContact O-NH1 3.35Å
339	N	94	Very high	93.1	Very high	61 Å²	61	47.5 Å²	47.5	33%	0.326	25%	0.251	S	S	.	.			trans	-65.7	150.3	179.2	-59.9	-27.8	0	0	0	110.9	L110 G325 L326 N327	L110-N339 HydrophobicContact CD1-CB 4.22Å; L110-N339 HydrophobicContact CD2-CB 3.88Å; G325-N339 WeakPolarHBondContact O-CA 3.33Å; G325-N339 WeakPolarHBondContact O-CB 3.24Å; L326-N339 WeakPolarHBondContact CA-OD1 3.44Å; N327-N339 PolarHBondContact N-OD1 3.49Å
340	R	94	Very high	92.8	Very high	54 Å²	54	47.4 Å²	47.4	20%	0.204	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	173.7	-59.9	-58.2	-166	-83.6	-2.2	110.3	W324 G325 L332 D336 D338 E344	W324-R340 HydrophobicContact CB-CB 4.18Å; G325-R340 VanDerWaalsContact CA-O 3.28Å; G325-R340 WeakPolarHBondContact CA-O 3.2Å; G325-R340 PolarHBondContact N-O 3.23Å; G325-R340 PolarHBondContact O-N 3.11Å; L332-R340 HydrophobicContact CD1-CB 3.91Å; L332-R340 HydrophobicContact CD1-CG 3.61Å; D336-R340 IonicContact OD1-CZ 3.64Å; D336-R340 IonicContact OD1-NH1 3.91Å; D336-R340 PolarHBondContact OD1-NH1 3.02Å; D336-R340 IonicContact OD1-NH2 3.06Å; D336-R340 IonicContact OD2-CZ 3.6Å; D336-R340 IonicContact OD2-NH1 2.61Å; D336-R340 IonicContact OD2-NH2 2.74Å; D336-R340 PolarHBondContact OD2-NH2 2.72Å; D338-R340 VanDerWaalsContact CB-NH1 3.3Å; D338-R340 PolarHBondContact O-NH1 3.35Å; R340-E344 WeakPolarHBondContact CD-OE2 3.49Å; R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NE-OE2 2.71Å; R340-E344 PolarHBondContact NE-OE2 3.49Å; R340-E344 IonicContact NH2-OE2 3.07Å; R340-E344 PolarHBondContact NH2-OE2 3.14Å
341	L	91	Very high	92.5	Very high	94 Å²	94	56.8 Å²	56.8	49%	0.492	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-22.4	176.4	-71.2	173.1	0	0	0	112.7	L110 Q113	L110-L341 HydrophobicContact CB-CD2 3.7Å; L110-L341 HydrophobicContact CD2-CD2 3.75Å; L110-L341 HydrophobicContact CG-CD2 4.34Å; Q113-L341 HydrophobicContact CG-CD2 4.2Å
342	E	91.1	Very high	92.1	Very high	118 Å²	118	57 Å²	57	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.6	-175.6	-59.3	-170.2	175.7	0	0	110.5	Q124 W324 E344	Q124-E342 HydrophobicContact CG-CB 4.3Å; Q124-E342 PolarHBondContact NE2-OE1 2.91Å; Q124-E342 PolarHBondContact NE2-OE2 3.43Å; W324-E342 VanDerWaalsContact CB-C 3.5Å; W324-E342 VanDerWaalsContact CB-O 3.23Å; W324-E342 WeakPolarHBondContact CB-O 3.17Å; E342-E344 PolarHBondContact O-N 2.9Å
343	P	95.9	Very high	91.7	Very high	14 Å²	14	58 Å²	58	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	126.2	175.9	-25	32.9	0	0	0	112.7	V122 Q124 L125 W322 W324	V122-P343 HydrophobicContact CG1-CG 3.56Å; Q124-P343 HydrophobicContact CB-CB 4.46Å; Q124-P343 HydrophobicContact CB-CG 4.32Å; L125-P343 HydrophobicContact CD1-CB 4.48Å; L125-P343 HydrophobicContact CD1-CG 4.43Å; L125-P343 HydrophobicContact CD2-CB 4.39Å; L125-P343 HydrophobicContact CG-CB 4.34Å; L125-P343 HydrophobicContact CG-CG 4.43Å; W322-P343 HydrophobicContact CE3-CB 3.74Å; W322-P343 HydrophobicContact CZ3-CB 4.37Å; W322-P343 WeakPolarHBondContact CZ3-O 3.49Å; W324-P343 HydrophobicContact CD2-CB 4.22Å; W324-P343 HydrophobicContact CD2-CG 3.83Å; W324-P343 HydrophobicContact CE3-CB 3.69Å; W324-P343 HydrophobicContact CE3-CG 3.68Å; W324-P343 HydrophobicContact CG-CG 4.39Å; W324-P343 HydrophobicContact CH2-CG 4.46Å; W324-P343 HydrophobicContact CZ3-CB 4.15Å; W324-P343 HydrophobicContact CZ3-CG 4.02Å
344	E	94.6	Very high	91.7	Very high	76 Å²	76	58 Å²	58	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140	172.5	-173	173.8	170.5	0	0	110.1	W322 T323 R340 E342	W322-E344 CarbonylContact C-O 3.57Å; W322-E344 VanDerWaalsContact CA-O 3.23Å; W322-E344 WeakPolarHBondContact CA-O 3.33Å; T323-E344 PolarHBondContact N-O 2.87Å; T323-E344 PolarHBondContact O-N 3.35Å; R340-E344 WeakPolarHBondContact CD-OE2 3.49Å; R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NE-OE2 2.71Å; R340-E344 PolarHBondContact NE-OE2 3.49Å; R340-E344 IonicContact NH2-OE2 3.07Å; R340-E344 PolarHBondContact NH2-OE2 3.14Å; E342-E344 PolarHBondContact O-N 2.9Å
345	R	94.5	Very high	91.7	Very high	73 Å²	73	60.1 Å²	60.1	28%	0.275	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.4	179.2	-177.6	179.1	170.4	179.2	1.8	110.6	E320 W322 S347 D350	E320-R345 IonicContact OE1-CZ 2.65Å; E320-R345 VanDerWaalsContact OE1-CZ 3.27Å; E320-R345 IonicContact OE1-NE 2.75Å; E320-R345 IonicContact OE1-NH1 2.88Å; E320-R345 PolarHBondContact OE1-NH1 2.83Å; E320-R345 IonicContact OE1-NH2 2.78Å; E320-R345 WeakPolarHBondContact OE2-CD 3.4Å; E320-R345 IonicContact OE2-CZ 3.73Å; E320-R345 IonicContact OE2-NE 2.95Å; W322-R345 HydrophobicContact CD2-CB 3.9Å; W322-R345 HydrophobicContact CE3-CB 4.25Å; W322-R345 HydrophobicContact CG-CB 4.45Å; W322-R345 HydrophobicContact CH2-CB 4.15Å; W322-R345 HydrophobicContact CZ2-CB 3.76Å; W322-R345 HydrophobicContact CZ2-CG 4.3Å; W322-R345 HydrophobicContact CZ3-CB 4.37Å; R345-S347 PolarHBondContact O-N 3.13Å; R345-S347 VanDerWaalsContact O-N 3.14Å; R345-D350 IonicContact CZ-OD1 3.03Å; R345-D350 VanDerWaalsContact CZ-OD1 3.27Å; R345-D350 IonicContact CZ-OD2 3.78Å; R345-D350 IonicContact NE-OD1 3.51Å; R345-D350 PolarHBondContact NE-OD1 2.86Å; R345-D350 IonicContact NE-OD2 2.73Å; R345-D350 PolarHBondContact NE-OD2 2.81Å; R345-D350 IonicContact NH2-OD1 3.97Å; R345-D350 PolarHBondContact NH2-OD1 3.36Å; R345-D350 IonicContact NH2-OD2 3.03Å; R345-D350 PolarHBondContact NH2-OD2 2.81Å
346	L	94.5	Very high	91.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.31	C	S	.	.			trans	-86.3	81.4	175.7	-175.2	56.7	0	0	0	110.9	V321 G333 I348 L349 W376 P395	V321-L346 HydrophobicContact CB-CB 4.42Å; V321-L346 HydrophobicContact CG1-CB 4.47Å; V321-L346 HydrophobicContact CG1-CD2 4.32Å; V321-L346 PolarHBondContact O-N 3.08Å; G333-L346 VanDerWaalsContact C-CD1 3.47Å; G333-L346 WeakPolarHBondContact O-CD1 3.29Å; L346-I348 HydrophobicContact CD1-CB 4.46Å; L346-I348 HydrophobicContact CD1-CD1 4.47Å; L346-I348 PolarHBondContact O-N 3.31Å; L346-I348 VanDerWaalsContact O-N 3.16Å; L346-L349 HydrophobicContact CD2-CD1 3.8Å; L346-L349 HydrophobicContact CD2-CG 4.26Å; L346-L349 HydrophobicContact CG-CD1 4.44Å; L346-L349 HydrophobicContact CG-CG 4.42Å; L346-L349 PolarHBondContact O-N 2.62Å; L346-W376 HydrophobicContact CD2-CH2 4.37Å; L346-W376 HydrophobicContact CD2-CZ2 3.93Å; L346-P395 HydrophobicContact CD1-CG 4.38Å; L346-P395 HydrophobicContact CD2-CG 3.82Å; L346-P395 HydrophobicContact CG-CG 4.37Å
347	S	90.4	Very high	92	Very high	80 Å²	80	57 Å²	57	56%	0.559	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.4	-23.5	-174	56.7	0	0	0	0	114.7	R345 L349 D350	R345-S347 PolarHBondContact O-N 3.13Å; R345-S347 VanDerWaalsContact O-N 3.14Å; S347-L349 PolarHBondContact O-N 3.3Å; S347-L349 VanDerWaalsContact O-N 3.14Å; S347-D350 WeakPolarHBondContact O-CB 3.32Å; S347-D350 PolarHBondContact O-N 2.68Å; S347-D350 VanDerWaalsContact O-N 3.1Å
348	I	92.2	Very high	92	Very high	84 Å²	84	57.3 Å²	57.3	43%	0.431	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-57.5	-28.1	177.5	-63.4	171.2	0	0	0	112	T335 L346 P395	T335-I348 HydrophobicContact CG2-CD1 3.61Å; L346-I348 HydrophobicContact CD1-CB 4.46Å; L346-I348 HydrophobicContact CD1-CD1 4.47Å; L346-I348 PolarHBondContact O-N 3.31Å; L346-I348 VanDerWaalsContact O-N 3.16Å; I348-P395 HydrophobicContact CG2-CG 4.38Å
349	L	93.1	Very high	91.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98.8	3.7	-178.8	-64.8	-178.9	0	0	0	114.3	V321 L346 S347 E351 A352 I354 A366 Y374 W376 P395	V321-L349 HydrophobicContact CB-CD1 4.41Å; V321-L349 HydrophobicContact CG2-CB 4.47Å; V321-L349 HydrophobicContact CG2-CD1 4.17Å; L346-L349 HydrophobicContact CD2-CD1 3.8Å; L346-L349 HydrophobicContact CD2-CG 4.26Å; L346-L349 HydrophobicContact CG-CD1 4.44Å; L346-L349 HydrophobicContact CG-CG 4.42Å; L346-L349 PolarHBondContact O-N 2.62Å; S347-L349 PolarHBondContact O-N 3.3Å; S347-L349 VanDerWaalsContact O-N 3.14Å; L349-E351 PolarHBondContact O-N 2.84Å; L349-A352 HydrophobicContact CD2-CB 4.23Å; L349-A352 WeakPolarHBondContact O-CB 3.23Å; L349-A352 PolarHBondContact O-N 3.42Å; L349-A352 VanDerWaalsContact O-N 3.08Å; L349-I354 HydrophobicContact CB-CG1 4.09Å; L349-I354 HydrophobicContact CD1-CD1 4.42Å; L349-I354 HydrophobicContact CD1-CG1 4.25Å; L349-I354 HydrophobicContact CD2-CD1 4.41Å; L349-A366 HydrophobicContact CD1-CB 4.49Å; L349-Y374 HydrophobicContact CD2-CD1 3.65Å; L349-Y374 HydrophobicContact CD2-CE1 3.95Å; L349-Y374 HydrophobicContact CD2-CG 3.99Å; L349-W376 HydrophobicContact CD1-CH2 3.9Å; L349-W376 HydrophobicContact CD1-CZ3 4.08Å; L349-P395 HydrophobicContact CD1-CB 4.29Å; L349-P395 HydrophobicContact CD1-CG 4.1Å; L349-P395 HydrophobicContact CD2-CB 3.74Å; L349-P395 HydrophobicContact CD2-CG 4.14Å; L349-P395 HydrophobicContact CG-CB 4.15Å; L349-P395 HydrophobicContact CG-CG 4Å
350	D	88.1	Confident	91.7	Very high	33 Å²	33	49.7 Å²	49.7	18%	0.176	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.1	-175.5	-80.7	-24.9	0	0	0	113.5	R345 S347	R345-D350 IonicContact CZ-OD1 3.03Å; R345-D350 VanDerWaalsContact CZ-OD1 3.27Å; R345-D350 IonicContact CZ-OD2 3.78Å; R345-D350 IonicContact NE-OD1 3.51Å; R345-D350 PolarHBondContact NE-OD1 2.86Å; R345-D350 IonicContact NE-OD2 2.73Å; R345-D350 PolarHBondContact NE-OD2 2.81Å; R345-D350 IonicContact NH2-OD1 3.97Å; R345-D350 PolarHBondContact NH2-OD1 3.36Å; R345-D350 IonicContact NH2-OD2 3.03Å; R345-D350 PolarHBondContact NH2-OD2 2.81Å; S347-D350 WeakPolarHBondContact O-CB 3.32Å; S347-D350 PolarHBondContact O-N 2.68Å; S347-D350 VanDerWaalsContact O-N 3.1Å
351	E	85.8	Confident	91.5	Very high	196 Å²	196	47.4 Å²	47.4	92%	0.916	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.5	179.9	-61.9	-172.3	176.6	0	0	113	L349	L349-E351 PolarHBondContact O-N 2.84Å
352	A	87.7	Confident	91.6	Very high	15 Å²	15	45.7 Å²	45.7	12%	0.124	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.7	-176.2	0	0	0	0	0	113.4	L349 I354 S368 Y374	L349-A352 HydrophobicContact CD2-CB 4.23Å; L349-A352 WeakPolarHBondContact O-CB 3.23Å; L349-A352 PolarHBondContact O-N 3.42Å; L349-A352 VanDerWaalsContact O-N 3.08Å; A352-I354 HydrophobicContact CB-CD1 3.79Å; A352-I354 HydrophobicContact CB-CG1 4.3Å; A352-S368 WeakPolarHBondContact O-CB 3.5Å; A352-Y374 HydrophobicContact CB-CE2 4.15Å
353	G	87.8	Confident	91.6	Very high	20 Å²	20	40.1 Å²	40.1	21%	0.206	22%	0.219	C	C	.	.			trans	61.9	55	-179.2	0	0	0	0	0	112.7	V355 S368 C369	G353-V355 PolarHBondContact O-N 2.82Å; G353-S368 CarbonylContact O-C 3.51Å; G353-C369 WeakPolarHBondContact O-CB 3.33Å; G353-C369 PolarHBondContact O-N 3.06Å; G353-C369 PolarHBondContact O-SG 3.21Å
354	I	93.4	Very high	91.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130.2	-177.2	-57.3	-55.3	0	0	0	111.6	L143 T319 V321 L349 A352 S356 I357 A366 L367 Y374	L143-I354 HydrophobicContact CD1-CB 4.03Å; L143-I354 HydrophobicContact CD1-CG2 3.86Å; T319-I354 WeakPolarHBondContact CB-O 3.37Å; T319-I354 WeakPolarHBondContact CG2-O 3.38Å; T319-I354 PolarHBondContact OG1-N 2.96Å; T319-I354 PolarHBondContact OG1-O 2.92Å; T319-I354 VanDerWaalsContact OG1-O 3.05Å; V321-I354 HydrophobicContact CG2-CB 3.93Å; V321-I354 HydrophobicContact CG2-CG1 3.86Å; V321-I354 HydrophobicContact CG2-CG2 3.95Å; L349-I354 HydrophobicContact CB-CG1 4.09Å; L349-I354 HydrophobicContact CD1-CD1 4.42Å; L349-I354 HydrophobicContact CD1-CG1 4.25Å; L349-I354 HydrophobicContact CD2-CD1 4.41Å; A352-I354 HydrophobicContact CB-CD1 3.79Å; A352-I354 HydrophobicContact CB-CG1 4.3Å; I354-S356 WeakPolarHBondContact CG2-O 3.22Å; I354-I357 HydrophobicContact CG2-CG2 3.9Å; I354-A366 HydrophobicContact CD1-CB 4.15Å; I354-A366 HydrophobicContact CG2-CB 3.95Å; I354-L367 CarbonylContact C-O 3.52Å; I354-L367 WeakPolarHBondContact CA-O 3.48Å; I354-Y374 HydrophobicContact CD1-CD2 4.09Å; I354-Y374 HydrophobicContact CD1-CE2 4.33Å
355	V	90.8	Very high	91.6	Very high	59 Å²	59	35.8 Å²	35.8	36%	0.358	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-19.7	-178.9	-63.1	0	0	0	0	113.6	G353 L367 C369	G353-V355 PolarHBondContact O-N 2.82Å; V355-L367 HydrophobicContact CG2-CB 4.42Å; V355-L367 HydrophobicContact CG2-CD2 4.45Å; V355-L367 HydrophobicContact CG2-CG 4.22Å; V355-L367 WeakPolarHBondContact CG2-O 3.05Å; V355-L367 PolarHBondContact N-O 3.4Å; V355-C369 HydrophobicContact CG1-CB 3.73Å
356	S	92	Very high	91.6	Very high	50 Å²	50	32.3 Å²	32.3	35%	0.35	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.5	178	-170	0	0	0	0	111.1	I354 A366 L367	I354-S356 WeakPolarHBondContact CG2-O 3.22Å; S356-A366 CarbonylContact O-C 3.56Å; S356-A366 WeakPolarHBondContact O-CA 3.27Å; S356-L367 PolarHBondContact N-O 3.41Å; S356-L367 PolarHBondContact O-N 3.29Å
357	I	95	Very high	91.5	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148	-179.6	53.4	168.3	0	0	0	109.6	A132 V141 L143 I354 V365 A366	A132-I357 HydrophobicContact CB-CD1 4.15Å; A132-I357 HydrophobicContact CB-CG1 3.97Å; V141-I357 HydrophobicContact CB-CD1 4.48Å; V141-I357 HydrophobicContact CG1-CD1 4.17Å; V141-I357 HydrophobicContact CG2-CB 4.34Å; V141-I357 HydrophobicContact CG2-CD1 3.93Å; V141-I357 HydrophobicContact CG2-CG2 4.28Å; L143-I357 HydrophobicContact CB-CD1 3.86Å; L143-I357 HydrophobicContact CB-CG1 4.22Å; I354-I357 HydrophobicContact CG2-CG2 3.9Å; I357-V365 WeakPolarHBondContact CA-O 3.45Å; I357-A366 HydrophobicContact CG2-CB 4.08Å
358	D	92.5	Very high	91.5	Very high	47 Å²	47	29 Å²	29	25%	0.251	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.2	169.3	-165.1	19.9	0	0	0	110.7	V365 A410 A411	D358-V365 HydrophobicContact CB-CG2 3.65Å; D358-V365 PolarHBondContact N-O 2.83Å; D358-V365 PolarHBondContact O-N 2.77Å; D358-A410 WeakPolarHBondContact OD2-CA 3.44Å; D358-A411 HydrophobicContact CB-CB 4.42Å; D358-A411 PolarHBondContact OD2-N 3.39Å
359	A	92.5	Very high	91.3	Very high	9 Å²	9	29 Å²	29	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.8	-176.3	0	0	0	0	0	111.3	A134 V141	A134-A359 HydrophobicContact CB-CB 3.98Å; V141-A359 HydrophobicContact CG1-CB 4.07Å
360	G	89.4	Confident	90.8	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	19%	0.19	C	C	.	.			trans	-78.3	-178.3	169.8	0	0	0	0	0	110.5	G136 H139 F362 H363 A411 G412	G136-G360 WeakPolarHBondContact CA-O 3.42Å; H139-G360 PolarHBondContact CE1-O 2.84Å; H139-G360 VanDerWaalsContact CE1-O 3.23Å; G360-F362 PolarHBondContact O-N 2.81Å; G360-H363 PolarHBondContact N-O 2.99Å; G360-A411 WeakPolarHBondContact CA-O 3.47Å; G360-G412 WeakPolarHBondContact CA-O 3.37Å
361	A	88.8	Confident	90.7	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	19%	0.191	C	C	.	.	S	Bend	trans	-58.9	-39.9	178.5	0	0	0	0	0	111.5	F26 F137 G412	F26-A361 HydrophobicContact CE1-CB 4.49Å; F26-A361 HydrophobicContact CZ-CB 4.45Å; F137-A361 HydrophobicContact CB-CB 4.31Å; F137-A361 WeakPolarHBondContact CB-O 3.27Å; F137-A361 PolarHBondContact N-O 3.46Å; A361-G412 PolarHBondContact N-O 2.96Å
362	F	92.7	Very high	90.9	Very high	59 Å²	59	26.7 Å²	26.7	26%	0.259	17%	0.165	S	C	.	.	S	Bend	trans	-131.9	11.4	-170.9	-52.4	-64.1	0	0	0	114.9	F137 L329 Q331 G360 S378 H414	F137-F362 HydrophobicContact CB-CD1 4.3Å; F137-F362 HydrophobicContact CB-CE1 3.95Å; F137-F362 HydrophobicContact CD1-CE1 4.21Å; F137-F362 HydrophobicContact CD2-CE1 4.39Å; F137-F362 HydrophobicContact CD2-CZ 4.5Å; F137-F362 AromaticContact CG-CE1 3.95Å; F137-F362 HydrophobicContact CG-CE1 3.95Å; F137-F362 HydrophobicContact CG-CZ 4.49Å; L329-F362 HydrophobicContact CD1-CB 4.12Å; Q331-F362 WeakPolarHBondContact CG-O 3.5Å; G360-F362 PolarHBondContact O-N 2.81Å; F362-S378 WeakPolarHBondContact O-CB 3.46Å; F362-S378 PolarHBondContact O-N 2.97Å; F362-H414 AromaticContact CE2-CE1 3.74Å
363	H	92.9	Very high	91	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	168.7	178.8	72.7	-74.4	0	0	0	110.4	H139 G360 W376 G412 F415 T416	H139-H363 PolarHBondContact NE2-O 2.84Å; G360-H363 PolarHBondContact N-O 2.99Å; H363-W376 CarbonylContact C-O 3.55Å; H363-W376 WeakPolarHBondContact CA-O 3Å; H363-W376 WeakPolarHBondContact CB-O 3.5Å; H363-G412 PolarHBondContact CE1-O 3.29Å; H363-G412 VanDerWaalsContact CE1-O 3.31Å; H363-F415 PolarHBondContact CE1-O 3.31Å; H363-F415 PolarHBondContact NE2-O 3.16Å; H363-T416 PolarHBondContact CD2-OG1 3.44Å; H363-T416 VanDerWaalsContact CD2-OG1 3.29Å; H363-T416 PolarHBondContact NE2-OG1 2.82Å
364	T	95.7	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.1	-176.2	-51.5	0	0	0	0	109.9	H139 V141 Q331 V375 W376	H139-T364 PolarHBondContact CD2-OG1 2.89Å; H139-T364 VanDerWaalsContact CD2-OG1 3.26Å; H139-T364 PolarHBondContact NE2-OG1 2.85Å; V141-T364 HydrophobicContact CB-CG2 4.18Å; V141-T364 HydrophobicContact CG1-CG2 4.01Å; V141-T364 HydrophobicContact CG2-CG2 4.22Å; Q331-T364 PolarHBondContact O-OG1 2.8Å; T364-V375 WeakPolarHBondContact O-CA 3.49Å; T364-W376 VanDerWaalsContact CB-CE2 3.48Å; T364-W376 HydrophobicContact CG2-CH2 3.74Å; T364-W376 HydrophobicContact CG2-CZ2 3.24Å; T364-W376 PolarHBondContact N-O 3.47Å; T364-W376 PolarHBondContact O-N 3.22Å; T364-W376 VanDerWaalsContact O-N 3.07Å
365	V	94.1	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	179	-54.1	0	0	0	0	111.2	I357 D358 Y374 V375 L409 A411 T416	I357-V365 WeakPolarHBondContact CA-O 3.45Å; D358-V365 HydrophobicContact CB-CG2 3.65Å; D358-V365 PolarHBondContact N-O 2.83Å; D358-V365 PolarHBondContact O-N 2.77Å; V365-Y374 CarbonylContact C-O 3.59Å; V365-Y374 VanDerWaalsContact CA-O 3.24Å; V365-Y374 WeakPolarHBondContact CA-O 3.42Å; V365-V375 HydrophobicContact CB-CG2 4.47Å; V365-V375 HydrophobicContact CG1-CB 4.43Å; V365-V375 HydrophobicContact CG1-CG1 4.05Å; V365-V375 HydrophobicContact CG1-CG2 3.93Å; V365-L409 HydrophobicContact CB-CD1 4.13Å; V365-L409 HydrophobicContact CG2-CB 3.92Å; V365-L409 HydrophobicContact CG2-CD1 3.99Å; V365-A411 HydrophobicContact CG1-CB 4.19Å; V365-A411 HydrophobicContact CG2-CB 3.94Å; V365-T416 HydrophobicContact CG1-CG2 3.81Å
366	A	94.6	Very high	91.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.9	177.1	0	0	0	0	0	111.8	L349 I354 S356 I357 A373 Y374 W376 L409	L349-A366 HydrophobicContact CD1-CB 4.49Å; I354-A366 HydrophobicContact CD1-CB 4.15Å; I354-A366 HydrophobicContact CG2-CB 3.95Å; S356-A366 CarbonylContact O-C 3.56Å; S356-A366 WeakPolarHBondContact O-CA 3.27Å; I357-A366 HydrophobicContact CG2-CB 4.08Å; A366-A373 CarbonylContact O-C 3.58Å; A366-A373 WeakPolarHBondContact O-CA 3.27Å; A366-Y374 PolarHBondContact N-O 3.26Å; A366-Y374 PolarHBondContact O-N 3.07Å; A366-W376 HydrophobicContact CB-CH2 3.85Å; A366-W376 HydrophobicContact CB-CZ3 3.86Å; A366-L409 WeakPolarHBondContact O-CD1 3.25Å
367	L	93	Very high	91.5	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.063	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.9	-180	-175.3	59.7	0	0	0	109.3	I354 V355 S356 V406 I407 L409	I354-L367 CarbonylContact C-O 3.52Å; I354-L367 WeakPolarHBondContact CA-O 3.48Å; V355-L367 HydrophobicContact CG2-CB 4.42Å; V355-L367 HydrophobicContact CG2-CD2 4.45Å; V355-L367 HydrophobicContact CG2-CG 4.22Å; V355-L367 WeakPolarHBondContact CG2-O 3.05Å; V355-L367 PolarHBondContact N-O 3.4Å; S356-L367 PolarHBondContact N-O 3.41Å; S356-L367 PolarHBondContact O-N 3.29Å; L367-V406 HydrophobicContact CD1-CB 3.78Å; L367-V406 HydrophobicContact CD1-CG1 3.8Å; L367-I407 WeakPolarHBondContact CD2-O 3.38Å; L367-L409 HydrophobicContact CB-CD1 3.56Å; L367-L409 HydrophobicContact CB-CG 4.01Å; L367-L409 VanDerWaalsContact N-CD1 3.31Å
368	S	90.7	Very high	91.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	161.3	172.2	63.6	0	0	0	0	113.2	A352 G353 T370 A371 E372	A352-S368 WeakPolarHBondContact O-CB 3.5Å; G353-S368 CarbonylContact O-C 3.51Å; S368-T370 WeakPolarHBondContact CB-OG1 3.44Å; S368-T370 PolarHBondContact O-N 2.85Å; S368-T370 PolarHBondContact OG-N 3.06Å; S368-T370 PolarHBondContact OG-OG1 3.24Å; S368-A371 PolarHBondContact O-N 3.2Å; S368-A371 PolarHBondContact OG-N 3.24Å; S368-E372 PolarHBondContact N-O 3.43Å; S368-E372 WeakPolarHBondContact OG-CA 3.47Å; S368-E372 WeakPolarHBondContact OG-CB 3.45Å; S368-E372 PolarHBondContact OG-N 3.17Å; S368-E372 PolarHBondContact OG-O 2.74Å
369	C	86	Confident	91.2	Very high	83 Å²	83	18.7 Å²	18.7	56%	0.561	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	168.1	64.2	0	0	0	0	112.9	G353 V355 A371	G353-C369 WeakPolarHBondContact O-CB 3.33Å; G353-C369 PolarHBondContact O-N 3.06Å; G353-C369 PolarHBondContact O-SG 3.21Å; V355-C369 HydrophobicContact CG1-CB 3.73Å; C369-A371 PolarHBondContact O-N 3.07Å
370	T	84.6	Confident	90.9	Very high	83 Å²	83	23 Å²	23	51%	0.509	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3	172.4	56.3	0	0	0	0	113.4	S368 E372	S368-T370 WeakPolarHBondContact CB-OG1 3.44Å; S368-T370 PolarHBondContact O-N 2.85Å; S368-T370 PolarHBondContact OG-N 3.06Å; S368-T370 PolarHBondContact OG-OG1 3.24Å; T370-E372 VanDerWaalsContact C-N 3.32Å; T370-E372 PolarHBondContact OG1-OE2 3.02Å
371	A	86	Confident	90.5	Very high	23 Å²	23	23.8 Å²	23.8	19%	0.19	13%	0.13	C	C	.	.	S	Bend	trans	65.5	29.2	-177.6	0	0	0	0	0	114.3	S368 C369 K405 V406	S368-A371 PolarHBondContact O-N 3.2Å; S368-A371 PolarHBondContact OG-N 3.24Å; C369-A371 PolarHBondContact O-N 3.07Å; A371-K405 HydrophobicContact CB-CB 3.79Å; A371-K405 HydrophobicContact CB-CD 4.29Å; A371-K405 HydrophobicContact CB-CG 4.11Å; A371-V406 WeakPolarHBondContact CB-O 3.46Å; A371-V406 PolarHBondContact O-N 3.34Å; A371-V406 VanDerWaalsContact O-N 3.12Å
372	E	88.7	Confident	90.1	Very high	77 Å²	77	23.6 Å²	23.6	36%	0.36	13%	0.128	S	C	.	.			trans	-97.2	132.5	173.4	-58.7	174	127.8	0	0	109.8	S368 T370 Y374	S368-E372 PolarHBondContact N-O 3.43Å; S368-E372 WeakPolarHBondContact OG-CA 3.47Å; S368-E372 WeakPolarHBondContact OG-CB 3.45Å; S368-E372 PolarHBondContact OG-N 3.17Å; S368-E372 PolarHBondContact OG-O 2.74Å; T370-E372 VanDerWaalsContact C-N 3.32Å; T370-E372 PolarHBondContact OG1-OE2 3.02Å; E372-Y374 HydrophobicContact CB-CE2 3.93Å; E372-Y374 PolarHBondContact OE2-OH 3.42Å
373	A	90.2	Very high	89.7	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.4	174.6	0	0	0	0	0	110	A366 I397 F398 V406 L409 L418	A366-A373 CarbonylContact O-C 3.58Å; A366-A373 WeakPolarHBondContact O-CA 3.27Å; A373-I397 CarbonylContact O-C 3.6Å; A373-I397 WeakPolarHBondContact O-CA 3.45Å; A373-F398 HydrophobicContact CB-CB 4.07Å; A373-F398 PolarHBondContact O-N 3.45Å; A373-V406 HydrophobicContact CB-CB 4.46Å; A373-V406 HydrophobicContact CB-CG1 4.33Å; A373-V406 HydrophobicContact CB-CG2 4.03Å; A373-L409 HydrophobicContact CB-CD2 3.68Å; A373-L418 HydrophobicContact CB-CD2 3.99Å
374	Y	92.9	Very high	88.9	Confident	28 Å²	28	20.9 Å²	20.9	11%	0.11	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.2	173.5	-66.4	-100.6	0	0	0	108.8	L349 A352 I354 V365 A366 E372 P395 T396 I397	L349-Y374 HydrophobicContact CD2-CD1 3.65Å; L349-Y374 HydrophobicContact CD2-CE1 3.95Å; L349-Y374 HydrophobicContact CD2-CG 3.99Å; A352-Y374 HydrophobicContact CB-CE2 4.15Å; I354-Y374 HydrophobicContact CD1-CD2 4.09Å; I354-Y374 HydrophobicContact CD1-CE2 4.33Å; V365-Y374 CarbonylContact C-O 3.59Å; V365-Y374 VanDerWaalsContact CA-O 3.24Å; V365-Y374 WeakPolarHBondContact CA-O 3.42Å; A366-Y374 PolarHBondContact N-O 3.26Å; A366-Y374 PolarHBondContact O-N 3.07Å; E372-Y374 HydrophobicContact CB-CE2 3.93Å; E372-Y374 PolarHBondContact OE2-OH 3.42Å; Y374-P395 HydrophobicContact CD1-CB 4.2Å; Y374-T396 CarbonylContact C-O 3.5Å; Y374-T396 WeakPolarHBondContact CA-O 3.36Å; Y374-I397 HydrophobicContact CD1-CG1 3.87Å; Y374-I397 HydrophobicContact CE1-CD1 4.02Å; Y374-I397 HydrophobicContact CE1-CG1 3.4Å; Y374-I397 HydrophobicContact CE2-CG1 4.5Å
375	V	92.7	Very high	87.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.2	-178	-174.3	0	0	0	0	109.8	T364 V365 I384 T396 F398 T416	T364-V375 WeakPolarHBondContact O-CA 3.49Å; V365-V375 HydrophobicContact CB-CG2 4.47Å; V365-V375 HydrophobicContact CG1-CB 4.43Å; V365-V375 HydrophobicContact CG1-CG1 4.05Å; V365-V375 HydrophobicContact CG1-CG2 3.93Å; V375-I384 HydrophobicContact CB-CG2 4.18Å; V375-I384 HydrophobicContact CG1-CB 4.18Å; V375-I384 HydrophobicContact CG1-CD1 4.21Å; V375-I384 HydrophobicContact CG1-CG1 3.75Å; V375-I384 HydrophobicContact CG1-CG2 4.05Å; V375-T396 PolarHBondContact N-O 3.22Å; V375-T396 PolarHBondContact O-N 2.85Å; V375-T396 PolarHBondContact O-OG1 3.35Å; V375-F398 HydrophobicContact CG2-CB 4.07Å; V375-F398 HydrophobicContact CG2-CD2 4Å; V375-F398 HydrophobicContact CG2-CG 4.45Å; V375-T416 HydrophobicContact CG2-CG2 4.36Å
376	W	94.8	Very high	86	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.3	175.7	63.8	95.7	0	0	0	111.5	Q331 G333 L346 L349 H363 T364 A366 E394 P395	Q331-W376 VanDerWaalsContact O-CD1 3.27Å; Q331-W376 PolarHBondContact O-NE1 3.4Å; G333-W376 VanDerWaalsContact CA-CD1 3.42Å; G333-W376 VanDerWaalsContact N-CD1 3.28Å; L346-W376 HydrophobicContact CD2-CH2 4.37Å; L346-W376 HydrophobicContact CD2-CZ2 3.93Å; L349-W376 HydrophobicContact CD1-CH2 3.9Å; L349-W376 HydrophobicContact CD1-CZ3 4.08Å; H363-W376 CarbonylContact C-O 3.55Å; H363-W376 WeakPolarHBondContact CA-O 3Å; H363-W376 WeakPolarHBondContact CB-O 3.5Å; T364-W376 VanDerWaalsContact CB-CE2 3.48Å; T364-W376 HydrophobicContact CG2-CH2 3.74Å; T364-W376 HydrophobicContact CG2-CZ2 3.24Å; T364-W376 PolarHBondContact N-O 3.47Å; T364-W376 PolarHBondContact O-N 3.22Å; T364-W376 VanDerWaalsContact O-N 3.07Å; A366-W376 HydrophobicContact CB-CH2 3.85Å; A366-W376 HydrophobicContact CB-CZ3 3.86Å; W376-E394 WeakPolarHBondContact CB-O 2.85Å; W376-P395 HydrophobicContact CD2-CB 4.3Å; W376-P395 HydrophobicContact CD2-CG 4.07Å; W376-P395 HydrophobicContact CE3-CB 3.74Å; W376-P395 HydrophobicContact CE3-CG 3.95Å; W376-P395 HydrophobicContact CZ3-CB 4.14Å; W376-P395 HydrophobicContact CZ3-CG 4.33Å
377	G	94.3	Very high	84.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.8	-145.4	-176.6	0	0	0	0	0	113.4	L329 I384 Y391 V392	L329-G377 CarbonylContact O-C 3.58Å; L329-G377 WeakPolarHBondContact O-CA 3.07Å; G377-I384 WeakPolarHBondContact O-CD1 3.45Å; G377-Y391 CarbonylContact O-C 3.59Å; G377-Y391 VanDerWaalsContact O-CA 3.27Å; G377-Y391 WeakPolarHBondContact O-CA 3.28Å; G377-V392 PolarHBondContact N-O 3.5Å; G377-V392 PolarHBondContact O-N 3Å
378	S	91.6	Very high	83.3	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.6	179.5	-173.7	0	0	0	0	112.2	L329 F362 E380 Q383	L329-S378 PolarHBondContact O-N 3.35Å; F362-S378 WeakPolarHBondContact O-CB 3.46Å; F362-S378 PolarHBondContact O-N 2.97Å; S378-E380 PolarHBondContact OG-N 2.73Å; S378-Q383 PolarHBondContact O-OE1 3.49Å
379	N	89.1	Confident	82.8	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.032	22%	0.223	C	C	.	.			trans	-131.9	19.2	173.3	-169.6	50.9	0	0	0	111.5	D381 G382 Q383 I384 S387 R389 L390	N379-D381 PolarHBondContact O-N 3.12Å; N379-G382 PolarHBondContact O-N 2.85Å; N379-G382 VanDerWaalsContact OD1-CA 3.29Å; N379-G382 WeakPolarHBondContact OD1-CA 3.48Å; N379-Q383 PolarHBondContact OD1-N 3.45Å; N379-I384 HydrophobicContact CB-CB 4.27Å; N379-I384 HydrophobicContact CB-CD1 4.13Å; N379-I384 HydrophobicContact CB-CG1 3.95Å; N379-I384 WeakPolarHBondContact OD1-CB 3.49Å; N379-I384 PolarHBondContact OD1-N 2.74Å; N379-S387 PolarHBondContact ND2-O 3.32Å; N379-R389 WeakPolarHBondContact CB-O 3.45Å; N379-R389 PolarHBondContact ND2-O 3.47Å; N379-L390 CarbonylContact C-O 3.43Å; N379-L390 WeakPolarHBondContact CA-O 3.35Å; N379-L390 PolarHBondContact N-O 3.4Å
380	E	85.6	Confident	82.7	Confident	101 Å²	101	45.2 Å²	45.2	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30	-179.4	-66.6	-174.7	164.4	0	0	113	S378 L390	S378-E380 PolarHBondContact OG-N 2.73Å; E380-L390 PolarHBondContact N-O 3.15Å
381	D	81.1	Confident	82.9	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.102	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.9	176.8	-62.6	-74.1	0	0	0	113	N379 Q383 H414 G433 K435 G440	N379-D381 PolarHBondContact O-N 3.12Å; D381-Q383 PolarHBondContact OD2-NE2 3.35Å; D381-Q383 VanDerWaalsContact OD2-NE2 3.16Å; D381-H414 HydrophobicContact CB-CB 4.48Å; D381-H414 IonicContact OD2-CE1 3.55Å; D381-H414 IonicContact OD2-CG 3.84Å; D381-H414 IonicContact OD2-ND1 3.56Å; D381-H414 PolarHBondContact OD2-ND1 3.49Å; D381-G433 WeakPolarHBondContact O-CA 3.33Å; D381-K435 HydrophobicContact CB-CB 4.13Å; D381-K435 VanDerWaalsContact OD1-CB 3.31Å; D381-K435 WeakPolarHBondContact OD1-CB 3.42Å; D381-G440 CarbonylContact O-C 3.55Å; D381-G440 VanDerWaalsContact O-O 3.09Å
382	G	80.3	Confident	83.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	86.1	22.5	-173.8	0	0	0	0	0	114.6	N379 I384 K385 G433	N379-G382 PolarHBondContact O-N 2.85Å; N379-G382 VanDerWaalsContact OD1-CA 3.29Å; N379-G382 WeakPolarHBondContact OD1-CA 3.48Å; G382-I384 PolarHBondContact O-N 3.37Å; G382-K385 PolarHBondContact O-N 3.39Å; G382-G433 PolarHBondContact O-N 2.98Å
383	Q	83.9	Confident	83.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.6	-178.7	-62.4	89.1	-28	0	0	113.2	S378 N379 D381 H414 T416 C432	S378-Q383 PolarHBondContact O-OE1 3.49Å; N379-Q383 PolarHBondContact OD1-N 3.45Å; D381-Q383 PolarHBondContact OD2-NE2 3.35Å; D381-Q383 VanDerWaalsContact OD2-NE2 3.16Å; Q383-H414 WeakPolarHBondContact CG-O 3.43Å; Q383-T416 PolarHBondContact O-OG1 3.08Å; Q383-C432 PolarHBondContact O-SG 2.97Å
384	I	77.3	Confident	83.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-9	-172	-47	-167.4	0	0	0	111.1	V375 G377 N379 G382 L386 V392	V375-I384 HydrophobicContact CB-CG2 4.18Å; V375-I384 HydrophobicContact CG1-CB 4.18Å; V375-I384 HydrophobicContact CG1-CD1 4.21Å; V375-I384 HydrophobicContact CG1-CG1 3.75Å; V375-I384 HydrophobicContact CG1-CG2 4.05Å; G377-I384 WeakPolarHBondContact O-CD1 3.45Å; N379-I384 HydrophobicContact CB-CB 4.27Å; N379-I384 HydrophobicContact CB-CD1 4.13Å; N379-I384 HydrophobicContact CB-CG1 3.95Å; N379-I384 WeakPolarHBondContact OD1-CB 3.49Å; N379-I384 PolarHBondContact OD1-N 2.74Å; G382-I384 PolarHBondContact O-N 3.37Å; I384-L386 PolarHBondContact O-N 3.22Å; I384-V392 HydrophobicContact CD1-CB 3.82Å; I384-V392 HydrophobicContact CD1-CG2 3.88Å; I384-V392 HydrophobicContact CG2-CG2 4.19Å
385	K	66.5	Low	83.3	Confident	60 Å²	60	46.8 Å²	46.8	26%	0.261	22%	0.224	S	C	.	.	S	Bend	trans	60	-50.8	-177.7	179	-155.9	-173.2	173.5	0	115.3	G382 S387 F398 K399 C432 V443	G382-K385 PolarHBondContact O-N 3.39Å; K385-S387 VanDerWaalsContact C-N 3.33Å; K385-S387 PolarHBondContact O-N 3.4Å; K385-F398 HydrophobicContact CB-CE2 3.69Å; K385-F398 HydrophobicContact CB-CZ 3.93Å; K385-F398 HydrophobicContact CD-CE1 4.2Å; K385-F398 HydrophobicContact CD-CE2 4.27Å; K385-F398 HydrophobicContact CD-CZ 3.81Å; K385-F398 HydrophobicContact CG-CZ 4.49Å; K385-K399 PolarHBondContact NZ-O 2.94Å; K385-C432 HydrophobicContact CB-CB 4.45Å; K385-V443 HydrophobicContact CB-CG2 4.14Å; K385-V443 HydrophobicContact CD-CG2 3.26Å; K385-V443 HydrophobicContact CG-CG2 3.49Å; K385-V443 VanDerWaalsContact CG-CG2 3.49Å
386	L	61.2	Low	83.2	Confident	87 Å²	87	48.5 Å²	48.5	46%	0.455	24%	0.235	S	C	.	.	S	Bend	trans	-86	3.2	-162.2	-69.7	167.5	0	0	0	114.9	I384 I397 K399	I384-L386 PolarHBondContact O-N 3.22Å; L386-I397 WeakPolarHBondContact CD1-O 3.1Å; L386-K399 HydrophobicContact CD1-CB 4.3Å
387	S	61.3	Low	82.8	Confident	18 Å²	18	51.4 Å²	51.4	13%	0.126	25%	0.25	C	C	.	.			trans	-125	131.6	-175.1	-177.5	0	0	0	0	110.3	N379 K385 R389 V392 Q441	N379-S387 PolarHBondContact ND2-O 3.32Å; K385-S387 VanDerWaalsContact C-N 3.33Å; K385-S387 PolarHBondContact O-N 3.4Å; S387-R389 WeakPolarHBondContact OG-CB 3.47Å; S387-R389 PolarHBondContact OG-N 2.71Å; S387-V392 VanDerWaalsContact CB-CG2 3.49Å; S387-V392 WeakPolarHBondContact OG-CG2 3.4Å; S387-Q441 PolarHBondContact O-NE2 3.45Å; S387-Q441 VanDerWaalsContact O-NE2 3.09Å
388	D	69.8	Low	82.1	Confident	150 Å²	150	51.8 Å²	51.8	80%	0.802	25%	0.252	S	S	*	.	S	Bend	trans	-78.2	-8	165.5	-64.6	-32.4	0	0	0	111.8
389	R	81.2	Confident	81	Confident	176 Å²	176	59 Å²	59	66%	0.664	28%	0.283	S	S	*	.	S	Bend	trans	-76.8	147.1	176.8	-52.9	-178.5	177.2	172	0.9	109.8	N379 S387 Y391	N379-R389 WeakPolarHBondContact CB-O 3.45Å; N379-R389 PolarHBondContact ND2-O 3.47Å; S387-R389 WeakPolarHBondContact OG-CB 3.47Å; S387-R389 PolarHBondContact OG-N 2.71Å; R389-Y391 VanDerWaalsContact CB-O 3.24Å; R389-Y391 WeakPolarHBondContact CB-O 3.1Å; R389-Y391 PolarHBondContact O-N 3.41Å
390	L	84.5	Confident	79.7	Confident	117 Å²	117	59 Å²	59	61%	0.613	28%	0.283	S	S	*	.	S	Bend	trans	-64.1	-21.2	174.8	-65.4	173.7	0	0	0	112.9	N379 E380	N379-L390 CarbonylContact C-O 3.43Å; N379-L390 WeakPolarHBondContact CA-O 3.35Å; N379-L390 PolarHBondContact N-O 3.4Å; E380-L390 PolarHBondContact N-O 3.15Å
391	Y	88.3	Confident	78.3	Confident	109 Å²	109	57 Å²	57	43%	0.427	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.9	176	62.3	-89.2	0	0	0	110.9	L329 C337 G377 R389	L329-Y391 WeakPolarHBondContact O-CB 3.39Å; C337-Y391 WeakPolarHBondContact SG-CE2 3.37Å; G377-Y391 CarbonylContact O-C 3.59Å; G377-Y391 VanDerWaalsContact O-CA 3.27Å; G377-Y391 WeakPolarHBondContact O-CA 3.28Å; R389-Y391 VanDerWaalsContact CB-O 3.24Å; R389-Y391 WeakPolarHBondContact CB-O 3.1Å; R389-Y391 PolarHBondContact O-N 3.41Å
392	V	90.4	Very high	77	Confident	8 Å²	8	62 Å²	62	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.2	176	-175.6	0	0	0	0	108	G377 I384 S387 E394 T396	G377-V392 PolarHBondContact N-O 3.5Å; G377-V392 PolarHBondContact O-N 3Å; I384-V392 HydrophobicContact CD1-CB 3.82Å; I384-V392 HydrophobicContact CD1-CG2 3.88Å; I384-V392 HydrophobicContact CG2-CG2 4.19Å; S387-V392 VanDerWaalsContact CB-CG2 3.49Å; S387-V392 WeakPolarHBondContact OG-CG2 3.4Å; V392-E394 VanDerWaalsContact C-N 3.33Å; V392-E394 HydrophobicContact CG1-CG 4.27Å; V392-E394 VanDerWaalsContact CG1-O 3.24Å; V392-E394 WeakPolarHBondContact CG1-O 3.5Å; V392-T396 HydrophobicContact CG1-CG2 3.58Å
393	A	91.3	Very high	75.7	Confident	16 Å²	16	66.5 Å²	66.5	13%	0.132	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-0.9	-175.3	0	0	0	0	0	114.3	G333 C334 T335	G333-A393 CarbonylContact C-O 3.01Å; G333-A393 WeakPolarHBondContact CA-O 3.44Å; G333-A393 VanDerWaalsContact O-O 3.11Å; C334-A393 PolarHBondContact N-O 2.83Å; T335-A393 WeakPolarHBondContact CA-O 3.47Å; T335-A393 PolarHBondContact N-O 3.43Å
394	E	91.5	Very high	74.7	Confident	96 Å²	96	68.3 Å²	68.3	45%	0.449	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.4	180	64.6	-170.8	165.7	0	0	110.5	T335 W376 V392 T396	T335-E394 HydrophobicContact CG2-CB 4.21Å; W376-E394 WeakPolarHBondContact CB-O 2.85Å; V392-E394 VanDerWaalsContact C-N 3.33Å; V392-E394 HydrophobicContact CG1-CG 4.27Å; V392-E394 VanDerWaalsContact CG1-O 3.24Å; V392-E394 WeakPolarHBondContact CG1-O 3.5Å; E394-T396 HydrophobicContact CG-CG2 4.27Å; E394-T396 PolarHBondContact O-N 2.89Å; E394-T396 VanDerWaalsContact O-N 3.16Å
395	P	93.7	Very high	74.6	Confident	16 Å²	16	75.5 Å²	75.5	10%	0.104	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	118.4	175.9	-26.5	35.8	0	0	0	112.2	G333 L346 I348 L349 Y374 W376	G333-P395 WeakPolarHBondContact O-CD 3.46Å; L346-P395 HydrophobicContact CD1-CG 4.38Å; L346-P395 HydrophobicContact CD2-CG 3.82Å; L346-P395 HydrophobicContact CG-CG 4.37Å; I348-P395 HydrophobicContact CG2-CG 4.38Å; L349-P395 HydrophobicContact CD1-CB 4.29Å; L349-P395 HydrophobicContact CD1-CG 4.1Å; L349-P395 HydrophobicContact CD2-CB 3.74Å; L349-P395 HydrophobicContact CD2-CG 4.14Å; L349-P395 HydrophobicContact CG-CB 4.15Å; L349-P395 HydrophobicContact CG-CG 4Å; Y374-P395 HydrophobicContact CD1-CB 4.2Å; W376-P395 HydrophobicContact CD2-CB 4.3Å; W376-P395 HydrophobicContact CD2-CG 4.07Å; W376-P395 HydrophobicContact CE3-CB 3.74Å; W376-P395 HydrophobicContact CE3-CG 3.95Å; W376-P395 HydrophobicContact CZ3-CB 4.14Å; W376-P395 HydrophobicContact CZ3-CG 4.33Å
396	T	89.2	Confident	75.4	Confident	36 Å²	36	73.1 Å²	73.1	22%	0.221	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.6	179.1	54.3	0	0	0	0	111.8	Y374 V375 V392 E394 F398	Y374-T396 CarbonylContact C-O 3.5Å; Y374-T396 WeakPolarHBondContact CA-O 3.36Å; V375-T396 PolarHBondContact N-O 3.22Å; V375-T396 PolarHBondContact O-N 2.85Å; V375-T396 PolarHBondContact O-OG1 3.35Å; V392-T396 HydrophobicContact CG1-CG2 3.58Å; E394-T396 HydrophobicContact CG-CG2 4.27Å; E394-T396 PolarHBondContact O-N 2.89Å; E394-T396 VanDerWaalsContact O-N 3.16Å; T396-F398 PolarHBondContact O-N 2.93Å
397	I	87.2	Confident	76.3	Confident	61 Å²	61	72.9 Å²	72.9	31%	0.313	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.9	179.3	-62.5	172.9	0	0	0	109.9	A373 Y374 L386 K399	A373-I397 CarbonylContact O-C 3.6Å; A373-I397 WeakPolarHBondContact O-CA 3.45Å; Y374-I397 HydrophobicContact CD1-CG1 3.87Å; Y374-I397 HydrophobicContact CE1-CD1 4.02Å; Y374-I397 HydrophobicContact CE1-CG1 3.4Å; Y374-I397 HydrophobicContact CE2-CG1 4.5Å; L386-I397 WeakPolarHBondContact CD1-O 3.1Å; I397-K399 HydrophobicContact CG2-CG 4.33Å; I397-K399 PolarHBondContact O-N 3.39Å; I397-K399 VanDerWaalsContact O-N 3.14Å
398	F	78.7	Confident	77.3	Confident	9 Å²	9	75.1 Å²	75.1	4%	0.039	40%	0.395	C	S	.	.			trans	-75.6	96.2	173.5	-162.7	-79.8	0	0	0	111.2	A373 V375 K385 T396 A400 L418 C432 V443	A373-F398 HydrophobicContact CB-CB 4.07Å; A373-F398 PolarHBondContact O-N 3.45Å; V375-F398 HydrophobicContact CG2-CB 4.07Å; V375-F398 HydrophobicContact CG2-CD2 4Å; V375-F398 HydrophobicContact CG2-CG 4.45Å; K385-F398 HydrophobicContact CB-CE2 3.69Å; K385-F398 HydrophobicContact CB-CZ 3.93Å; K385-F398 HydrophobicContact CD-CE1 4.2Å; K385-F398 HydrophobicContact CD-CE2 4.27Å; K385-F398 HydrophobicContact CD-CZ 3.81Å; K385-F398 HydrophobicContact CG-CZ 4.49Å; T396-F398 PolarHBondContact O-N 2.93Å; F398-A400 HydrophobicContact CD1-CB 3.88Å; F398-A400 HydrophobicContact CE1-CB 3.8Å; F398-A400 PolarHBondContact O-N 3.4Å; F398-L418 HydrophobicContact CB-CD1 4.33Å; F398-L418 HydrophobicContact CD1-CD1 3.11Å; F398-L418 HydrophobicContact CD2-CD1 4.29Å; F398-L418 HydrophobicContact CE1-CD1 3.27Å; F398-L418 HydrophobicContact CE2-CD1 4.42Å; F398-L418 HydrophobicContact CG-CD1 3.66Å; F398-L418 HydrophobicContact CZ-CD1 3.94Å; F398-C432 WeakPolarHBondContact CE2-SG 3.49Å; F398-C432 HydrophobicContact CZ-CB 4.34Å; F398-C432 WeakPolarHBondContact CZ-SG 3.33Å; F398-V443 HydrophobicContact CZ-CG2 4.3Å
399	K	69.5	Low	78	Confident	151 Å²	151	68.7 Å²	68.7	66%	0.657	36%	0.36	S	S	*	.			trans	-78.4	99.7	174.4	-61.6	-174.4	-173.8	-177.6	0	111.5	K385 L386 I397	K385-K399 PolarHBondContact NZ-O 2.94Å; L386-K399 HydrophobicContact CD1-CB 4.3Å; I397-K399 HydrophobicContact CG2-CG 4.33Å; I397-K399 PolarHBondContact O-N 3.39Å; I397-K399 VanDerWaalsContact O-N 3.14Å
400	A	61.3	Low	78.2	Confident	6 Å²	6	60.6 Å²	60.6	5%	0.05	33%	0.331	C	S	.	.			trans	-108.3	83.6	174.6	0	0	0	0	0	111.9	F398 M420 Y430	F398-A400 HydrophobicContact CD1-CB 3.88Å; F398-A400 HydrophobicContact CE1-CB 3.8Å; F398-A400 PolarHBondContact O-N 3.4Å; A400-M420 HydrophobicContact CB-CE 3.59Å; A400-M420 HydrophobicContact CB-SD 3.88Å; A400-Y430 HydrophobicContact CB-CD1 4.47Å
401	G	55.8	Low	78.3	Confident	59 Å²	59	55.6 Å²	55.6	61%	0.608	31%	0.307	S	S	*	.	S	Bend	trans	71.2	160.2	-178.3	0	0	0	0	0	112.8	C403	G401-C403 PolarHBondContact O-N 2.86Å
402	S	53.2	Low	77.9	Confident	125 Å²	125	50.8 Å²	50.8	87%	0.874	29%	0.29	S	S	*	.	S	Bend	trans	-78.8	-7.6	-164.6	52.1	0	0	0	0	116
403	C	53	Low	77.5	Confident	96 Å²	96	52.1 Å²	52.1	65%	0.649	30%	0.3	S	S	*	.	S	Bend	trans	-146.2	13.7	-170.1	-62.4	0	0	0	0	116	G401	G401-C403 PolarHBondContact O-N 2.86Å
404	L	64.4	Low	77	Confident	37 Å²	37	54.2 Å²	54.2	19%	0.194	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-99.9	136.7	-174.5	-57	178	0	0	0	111.1	M420 I421 Y430	L404-M420 HydrophobicContact CB-CB 4.36Å; L404-M420 HydrophobicContact CB-CE 4.31Å; L404-M420 HydrophobicContact CB-SD 3.73Å; L404-M420 HydrophobicContact CD1-CE 3.87Å; L404-M420 HydrophobicContact CD1-SD 4.39Å; L404-I421 WeakPolarHBondContact CD2-O 3.33Å; L404-Y430 HydrophobicContact CD1-CE2 4.18Å; L404-Y430 WeakPolarHBondContact CD1-OH 3.42Å
405	K	75.4	Confident	76.6	Confident	153 Å²	153	49.7 Å²	49.7	67%	0.665	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-96.2	132.7	175.8	-70.9	-171.2	178.2	-174.1	0	109.9	A371 M420	A371-K405 HydrophobicContact CB-CB 3.79Å; A371-K405 HydrophobicContact CB-CD 4.29Å; A371-K405 HydrophobicContact CB-CG 4.11Å; K405-M420 WeakPolarHBondContact O-CA 3.45Å
406	V	82.5	Confident	76.1	Confident	10 Å²	10	48.9 Å²	48.9	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133	175.8	-174.1	0	0	0	0	109.9	L367 A371 A373 L409 L418 M420	L367-V406 HydrophobicContact CD1-CB 3.78Å; L367-V406 HydrophobicContact CD1-CG1 3.8Å; A371-V406 WeakPolarHBondContact CB-O 3.46Å; A371-V406 PolarHBondContact O-N 3.34Å; A371-V406 VanDerWaalsContact O-N 3.12Å; A373-V406 HydrophobicContact CB-CB 4.46Å; A373-V406 HydrophobicContact CB-CG1 4.33Å; A373-V406 HydrophobicContact CB-CG2 4.03Å; V406-L409 HydrophobicContact CG1-CD2 3.64Å; V406-L418 HydrophobicContact CG1-CB 4.47Å; V406-L418 HydrophobicContact CG1-CD2 4.44Å; V406-M420 HydrophobicContact CB-CG 4.5Å; V406-M420 HydrophobicContact CG2-CG 4.03Å; V406-M420 HydrophobicContact CG2-SD 3.93Å
407	I	80.7	Confident	75.8	Confident	82 Å²	82	47.2 Å²	47.2	42%	0.421	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-39.2	-176.4	-58.4	164.8	0	0	0	109.7	L367 L419 I421	L367-I407 WeakPolarHBondContact CD2-O 3.38Å; I407-L419 PolarHBondContact N-O 3.02Å; I407-I421 HydrophobicContact CD1-CB 4.01Å; I407-I421 HydrophobicContact CD1-CD1 3.35Å; I407-I421 HydrophobicContact CD1-CG1 3.32Å; I407-I421 HydrophobicContact CG1-CD1 4.47Å
408	E	81.4	Confident	75.5	Confident	65 Å²	65	44.3 Å²	44.3	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.9	-176.1	-169.7	165.8	-157.4	0	0	111.2	L419 S456	E408-L419 HydrophobicContact CB-CB 4.04Å; E408-L419 HydrophobicContact CB-CD2 4.39Å; E408-L419 PolarHBondContact N-O 3.18Å; E408-L419 PolarHBondContact O-N 2.92Å; E408-S456 WeakPolarHBondContact OE1-CA 3.4Å; E408-S456 WeakPolarHBondContact OE1-CB 3.27Å; E408-S456 WeakPolarHBondContact OE2-CA 3.38Å
409	L	85.5	Confident	75.6	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.8	179.8	-55.8	179.4	0	0	0	109.7	V365 A366 L367 A373 V406 L418	V365-L409 HydrophobicContact CB-CD1 4.13Å; V365-L409 HydrophobicContact CG2-CB 3.92Å; V365-L409 HydrophobicContact CG2-CD1 3.99Å; A366-L409 WeakPolarHBondContact O-CD1 3.25Å; L367-L409 HydrophobicContact CB-CD1 3.56Å; L367-L409 HydrophobicContact CB-CG 4.01Å; L367-L409 VanDerWaalsContact N-CD1 3.31Å; A373-L409 HydrophobicContact CB-CD2 3.68Å; V406-L409 HydrophobicContact CG1-CD2 3.64Å; L409-L418 HydrophobicContact CD2-CD2 3.15Å
410	A	84.7	Confident	76.2	Confident	7 Å²	7	37.4 Å²	37.4	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.5	163.4	0	0	0	0	0	110.4	D358 A417 F459	D358-A410 WeakPolarHBondContact OD2-CA 3.44Å; A410-A417 HydrophobicContact CB-CB 4.37Å; A410-A417 PolarHBondContact N-O 3.28Å; A410-A417 PolarHBondContact O-N 2.74Å; A410-F459 HydrophobicContact CB-CB 3.39Å; A410-F459 HydrophobicContact CB-CG 4.5Å
411	A	86.4	Confident	76.7	Confident	12 Å²	12	40 Å²	40	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111	179	0	0	0	0	0	110.3	D358 G360 V365	D358-A411 HydrophobicContact CB-CB 4.42Å; D358-A411 PolarHBondContact OD2-N 3.39Å; G360-A411 WeakPolarHBondContact CA-O 3.47Å; V365-A411 HydrophobicContact CG1-CB 4.19Å; V365-A411 HydrophobicContact CG2-CB 3.94Å
412	G	80.9	Confident	77.3	Confident	8 Å²	8	37.4 Å²	37.4	8%	0.082	21%	0.212	C	C	.	.			trans	-87.6	-174.5	174.6	0	0	0	0	0	112.7	G360 A361 H363 H414 F415	G360-G412 WeakPolarHBondContact CA-O 3.37Å; A361-G412 PolarHBondContact N-O 2.96Å; H363-G412 PolarHBondContact CE1-O 3.29Å; H363-G412 VanDerWaalsContact CE1-O 3.31Å; G412-H414 VanDerWaalsContact C-N 3.31Å; G412-H414 PolarHBondContact O-N 2.96Å; G412-F415 PolarHBondContact N-O 2.93Å
413	S	80.6	Confident	78	Confident	36 Å²	36	39.8 Å²	39.8	25%	0.252	21%	0.209	S	C	.	.	S	Bend	trans	-59.1	-43.7	178.7	-62.7	0	0	0	0	112.5	E462	S413-E462 PolarHBondContact OG-OE2 3.48Å
414	H	80.6	Confident	78.8	Confident	60 Å²	60	39.6 Å²	39.6	28%	0.278	20%	0.201	S	C	.	.	S	Bend	trans	-129.6	14.9	-174.9	-63	-80.4	0	0	0	114.5	F362 D381 Q383 G412 G433 C434 E462	F362-H414 AromaticContact CE2-CE1 3.74Å; D381-H414 HydrophobicContact CB-CB 4.48Å; D381-H414 IonicContact OD2-CE1 3.55Å; D381-H414 IonicContact OD2-CG 3.84Å; D381-H414 IonicContact OD2-ND1 3.56Å; D381-H414 PolarHBondContact OD2-ND1 3.49Å; Q383-H414 WeakPolarHBondContact CG-O 3.43Å; G412-H414 VanDerWaalsContact C-N 3.31Å; G412-H414 PolarHBondContact O-N 2.96Å; H414-G433 CarbonylContact O-C 3.56Å; H414-G433 VanDerWaalsContact O-CA 3.26Å; H414-G433 WeakPolarHBondContact O-CA 3.37Å; H414-C434 PolarHBondContact O-N 3.25Å; H414-E462 IonicContact CD2-OE1 3.63Å
415	F	83.2	Confident	78.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.8	-178.3	75.4	-90.4	0	0	0	112.6	H363 G412 A417 V431 C432 F459 E462 V465	H363-F415 PolarHBondContact CE1-O 3.31Å; H363-F415 PolarHBondContact NE2-O 3.16Å; G412-F415 PolarHBondContact N-O 2.93Å; F415-A417 HydrophobicContact CD2-CB 4.13Å; F415-A417 HydrophobicContact CE2-CB 3.89Å; F415-V431 HydrophobicContact CB-CG1 4.29Å; F415-V431 HydrophobicContact CD2-CG1 3.99Å; F415-V431 HydrophobicContact CG-CG1 4.38Å; F415-C432 CarbonylContact C-O 3.53Å; F415-C432 WeakPolarHBondContact CA-O 3.45Å; F415-C432 VanDerWaalsContact CB-O 3.22Å; F415-C432 WeakPolarHBondContact CB-O 3.49Å; F415-F459 WeakPolarHBondContact CZ-O 3.41Å; F415-E462 HydrophobicContact CD1-CG 4.24Å; F415-E462 HydrophobicContact CE1-CB 3.83Å; F415-E462 HydrophobicContact CE1-CG 3.8Å; F415-V465 HydrophobicContact CD2-CG1 3.91Å; F415-V465 HydrophobicContact CE1-CB 4.23Å; F415-V465 HydrophobicContact CE1-CG1 4.38Å; F415-V465 HydrophobicContact CE2-CB 4.02Å; F415-V465 HydrophobicContact CE2-CG1 3.72Å; F415-V465 HydrophobicContact CE2-CG2 3.82Å; F415-V465 HydrophobicContact CG-CG1 4.36Å; F415-V465 HydrophobicContact CZ-CB 3.79Å; F415-V465 HydrophobicContact CZ-CG1 3.97Å; F415-V465 HydrophobicContact CZ-CG2 3.67Å
416	T	84.4	Confident	78.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	169	-55	0	0	0	0	108.3	H363 V365 V375 Q383 L418 V431 C432	H363-T416 PolarHBondContact CD2-OG1 3.44Å; H363-T416 VanDerWaalsContact CD2-OG1 3.29Å; H363-T416 PolarHBondContact NE2-OG1 2.82Å; V365-T416 HydrophobicContact CG1-CG2 3.81Å; V375-T416 HydrophobicContact CG2-CG2 4.36Å; Q383-T416 PolarHBondContact O-OG1 3.08Å; T416-L418 HydrophobicContact CG2-CD2 4.08Å; T416-L418 HydrophobicContact CG2-CG 4.46Å; T416-V431 WeakPolarHBondContact O-CA 3.47Å; T416-C432 PolarHBondContact N-O 3.47Å; T416-C432 PolarHBondContact O-N 3.38Å
417	A	81.3	Confident	77.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.8	175.5	0	0	0	0	0	110.5	A410 F415 Y430 V431 F459	A410-A417 HydrophobicContact CB-CB 4.37Å; A410-A417 PolarHBondContact N-O 3.28Å; A410-A417 PolarHBondContact O-N 2.74Å; F415-A417 HydrophobicContact CD2-CB 4.13Å; F415-A417 HydrophobicContact CE2-CB 3.89Å; A417-Y430 CarbonylContact C-O 3.43Å; A417-Y430 WeakPolarHBondContact CA-O 3.03Å; A417-V431 HydrophobicContact CB-CG2 4.21Å; A417-F459 HydrophobicContact CB-CB 4.21Å; A417-F459 HydrophobicContact CB-CD1 4.03Å; A417-F459 HydrophobicContact CB-CG 4.28Å
418	L	82.3	Confident	77.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.6	-177.9	-52.9	175.7	0	0	0	109.3	A373 F398 V406 L409 T416 C429 Y430	A373-L418 HydrophobicContact CB-CD2 3.99Å; F398-L418 HydrophobicContact CB-CD1 4.33Å; F398-L418 HydrophobicContact CD1-CD1 3.11Å; F398-L418 HydrophobicContact CD2-CD1 4.29Å; F398-L418 HydrophobicContact CE1-CD1 3.27Å; F398-L418 HydrophobicContact CE2-CD1 4.42Å; F398-L418 HydrophobicContact CG-CD1 3.66Å; F398-L418 HydrophobicContact CZ-CD1 3.94Å; V406-L418 HydrophobicContact CG1-CB 4.47Å; V406-L418 HydrophobicContact CG1-CD2 4.44Å; L409-L418 HydrophobicContact CD2-CD2 3.15Å; T416-L418 HydrophobicContact CG2-CD2 4.08Å; T416-L418 HydrophobicContact CG2-CG 4.46Å; L418-C429 CarbonylContact O-C 3.58Å; L418-C429 VanDerWaalsContact O-CA 3.31Å; L418-C429 WeakPolarHBondContact O-CA 3.29Å; L418-Y430 PolarHBondContact N-O 3.42Å; L418-Y430 PolarHBondContact O-N 2.91Å
419	L	81.2	Confident	77.1	Confident	14 Å²	14	34 Å²	34	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.7	171.5	-173.4	64.8	0	0	0	109.7	I407 E408 P427 F448 P454 F459	I407-L419 PolarHBondContact N-O 3.02Å; E408-L419 HydrophobicContact CB-CB 4.04Å; E408-L419 HydrophobicContact CB-CD2 4.39Å; E408-L419 PolarHBondContact N-O 3.18Å; E408-L419 PolarHBondContact O-N 2.92Å; L419-P427 HydrophobicContact CD1-CB 4.07Å; L419-F448 HydrophobicContact CD1-CE2 4.5Å; L419-P454 HydrophobicContact CD1-CB 4.24Å; L419-P454 HydrophobicContact CD1-CG 3.53Å; L419-P454 HydrophobicContact CD2-CG 4.13Å; L419-P454 HydrophobicContact CG-CG 4.5Å; L419-F459 HydrophobicContact CB-CE2 4.39Å; L419-F459 HydrophobicContact CD1-CE2 4.25Å; L419-F459 HydrophobicContact CD1-CZ 4.33Å
420	M	80.5	Confident	76.8	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.5	-177.8	-60.2	-167.1	-71.3	0	0	110.8	A400 L404 K405 V406 P427 Q428 Y430	A400-M420 HydrophobicContact CB-CE 3.59Å; A400-M420 HydrophobicContact CB-SD 3.88Å; L404-M420 HydrophobicContact CB-CB 4.36Å; L404-M420 HydrophobicContact CB-CE 4.31Å; L404-M420 HydrophobicContact CB-SD 3.73Å; L404-M420 HydrophobicContact CD1-CE 3.87Å; L404-M420 HydrophobicContact CD1-SD 4.39Å; K405-M420 WeakPolarHBondContact O-CA 3.45Å; V406-M420 HydrophobicContact CB-CG 4.5Å; V406-M420 HydrophobicContact CG2-CG 4.03Å; V406-M420 HydrophobicContact CG2-SD 3.93Å; M420-P427 CarbonylContact O-C 3.56Å; M420-P427 WeakPolarHBondContact O-CA 3.4Å; M420-Q428 PolarHBondContact N-O 3.1Å; M420-Q428 PolarHBondContact O-N 3.45Å; M420-Y430 HydrophobicContact CE-CD1 3.83Å; M420-Y430 HydrophobicContact CE-CD2 2.97Å; M420-Y430 HydrophobicContact CE-CE1 3.9Å; M420-Y430 HydrophobicContact CE-CE2 3.08Å; M420-Y430 HydrophobicContact CE-CG 3.35Å; M420-Y430 VanDerWaalsContact CE-CZ 3.5Å
421	I	72.7	Confident	76.5	Confident	61 Å²	61	33.9 Å²	33.9	31%	0.313	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.4	166.5	-80.6	157.3	0	0	0	108.5	L404 I407 L425	L404-I421 WeakPolarHBondContact CD2-O 3.33Å; I407-I421 HydrophobicContact CD1-CB 4.01Å; I407-I421 HydrophobicContact CD1-CD1 3.35Å; I407-I421 HydrophobicContact CD1-CG1 3.32Å; I407-I421 HydrophobicContact CG1-CD1 4.47Å; I421-L425 HydrophobicContact CG2-CD2 4.14Å
422	G	67.6	Low	76.2	Confident	4 Å²	4	33.3 Å²	33.3	4%	0.041	17%	0.173	C	C	.	.			trans	-65.3	169.3	172.2	0	0	0	0	0	113.5	D424 L425 Q426	G422-D424 PolarHBondContact O-N 3.1Å; G422-L425 PolarHBondContact O-N 3.22Å; G422-Q426 PolarHBondContact N-O 3.27Å
423	Q	69.3	Low	76	Confident	175 Å²	175	32.9 Å²	32.9	82%	0.818	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.3	174.8	-70.3	179.8	-18.9	0	0	113	L425	Q423-L425 PolarHBondContact O-N 3.49Å
424	D	68.7	Low	75.4	Confident	91 Å²	91	31.3 Å²	31.3	49%	0.487	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	10.2	175.6	61.1	-21.6	0	0	0	113.4	G422 Q426 Q428	G422-D424 PolarHBondContact O-N 3.1Å; D424-Q426 HydrophobicContact CB-CG 4.38Å; D424-Q426 PolarHBondContact O-N 3.05Å; D424-Q426 VanDerWaalsContact O-N 3.14Å; D424-Q426 PolarHBondContact OD1-N 2.93Å; D424-Q426 WeakPolarHBondContact OD2-CB 3.3Å; D424-Q426 VanDerWaalsContact OD2-CG 3.22Å; D424-Q426 WeakPolarHBondContact OD2-CG 3.36Å; D424-Q428 PolarHBondContact OD1-NE2 3.02Å
425	L	67.4	Low	74.7	Confident	124 Å²	124	34.6 Å²	34.6	65%	0.649	17%	0.172	S	C	*	.	S	Bend	trans	59.6	16.3	-173.8	-60.6	167.4	0	0	0	113.6	I421 G422 Q423	I421-L425 HydrophobicContact CG2-CD2 4.14Å; G422-L425 PolarHBondContact O-N 3.22Å; Q423-L425 PolarHBondContact O-N 3.49Å
426	Q	66.6	Low	73.7	Confident	62 Å²	62	41.3 Å²	41.3	29%	0.29	21%	0.207	S	C	.	.			trans	-91.4	142.8	175.3	-62.5	-57.5	-73.8	0	0	110.8	G422 D424 Q428	G422-Q426 PolarHBondContact N-O 3.27Å; D424-Q426 HydrophobicContact CB-CG 4.38Å; D424-Q426 PolarHBondContact O-N 3.05Å; D424-Q426 VanDerWaalsContact O-N 3.14Å; D424-Q426 PolarHBondContact OD1-N 2.93Å; D424-Q426 WeakPolarHBondContact OD2-CB 3.3Å; D424-Q426 VanDerWaalsContact OD2-CG 3.22Å; D424-Q426 WeakPolarHBondContact OD2-CG 3.36Å; Q426-Q428 PolarHBondContact O-N 3.44Å
427	P	67.1	Low	72.4	Confident	33 Å²	33	43 Å²	43	21%	0.214	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.3	172.3	27.5	-32.1	0	0	0	110.2	L419 M420 P454	L419-P427 HydrophobicContact CD1-CB 4.07Å; M420-P427 CarbonylContact O-C 3.56Å; M420-P427 WeakPolarHBondContact O-CA 3.4Å; P427-P454 HydrophobicContact CB-CG 3.82Å; P427-P454 HydrophobicContact CG-CG 4.16Å
428	Q	71.9	Confident	71.3	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.2	179.2	-59.9	-177.7	3.9	0	0	108.6	M420 D424 Q426 Y430	M420-Q428 PolarHBondContact N-O 3.1Å; M420-Q428 PolarHBondContact O-N 3.45Å; D424-Q428 PolarHBondContact OD1-NE2 3.02Å; Q426-Q428 PolarHBondContact O-N 3.44Å; Q428-Y430 HydrophobicContact CB-CD2 4.39Å; Q428-Y430 HydrophobicContact CB-CE2 3.93Å
429	C	76.4	Confident	70	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.6	172.5	176.4	0	0	0	0	110.6	L418 V431 R445 V446 F448 F459	L418-C429 CarbonylContact O-C 3.58Å; L418-C429 VanDerWaalsContact O-CA 3.31Å; L418-C429 WeakPolarHBondContact O-CA 3.29Å; C429-V431 VanDerWaalsContact SG-CG2 3.54Å; C429-R445 CarbonylContact O-C 3.54Å; C429-R445 WeakPolarHBondContact O-CA 3.49Å; C429-V446 HydrophobicContact CB-CB 4.26Å; C429-V446 PolarHBondContact N-O 3.24Å; C429-V446 PolarHBondContact O-N 3.47Å; C429-F448 HydrophobicContact CB-CE2 3.48Å; C429-F448 VanDerWaalsContact CB-CE2 3.48Å; C429-F448 HydrophobicContact CB-CZ 3.85Å; C429-F459 HydrophobicContact CB-CE1 3.54Å; C429-F459 HydrophobicContact CB-CZ 3.54Å; C429-F459 WeakPolarHBondContact SG-CE1 3.36Å
430	Y	78.4	Confident	68.9	Low	15 Å²	15	47 Å²	47	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.3	173.2	-76.4	-116.4	0	0	0	108.2	A400 L404 A417 L418 M420 Q428 V443 V444 R445	A400-Y430 HydrophobicContact CB-CD1 4.47Å; L404-Y430 HydrophobicContact CD1-CE2 4.18Å; L404-Y430 WeakPolarHBondContact CD1-OH 3.42Å; A417-Y430 CarbonylContact C-O 3.43Å; A417-Y430 WeakPolarHBondContact CA-O 3.03Å; L418-Y430 PolarHBondContact N-O 3.42Å; L418-Y430 PolarHBondContact O-N 2.91Å; M420-Y430 HydrophobicContact CE-CD1 3.83Å; M420-Y430 HydrophobicContact CE-CD2 2.97Å; M420-Y430 HydrophobicContact CE-CE1 3.9Å; M420-Y430 HydrophobicContact CE-CE2 3.08Å; M420-Y430 HydrophobicContact CE-CG 3.35Å; M420-Y430 VanDerWaalsContact CE-CZ 3.5Å; Q428-Y430 HydrophobicContact CB-CD2 4.39Å; Q428-Y430 HydrophobicContact CB-CE2 3.93Å; Y430-V443 HydrophobicContact CD1-CG1 3.7Å; Y430-V443 HydrophobicContact CG-CG1 4.27Å; Y430-V444 WeakPolarHBondContact CA-O 3.24Å; Y430-R445 HydrophobicContact CD2-CG 4.31Å; Y430-R445 HydrophobicContact CE1-CB 4.42Å; Y430-R445 HydrophobicContact CE1-CG 4.42Å; Y430-R445 HydrophobicContact CE2-CG 3.89Å; Y430-R445 PolarHBondContact OH-NE 3.11Å; Y430-R445 PolarHBondContact OH-NH1 3.05Å; Y430-R445 PolarHBondContact OH-NH2 2.78Å; Y430-R445 VanDerWaalsContact OH-NH2 3.08Å
431	V	79.1	Confident	67.8	Low	2 Å²	2	51.3 Å²	51.3	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.9	-179.4	-174.1	0	0	0	0	109.2	F415 T416 A417 C429 V443 V444 V446 V465 V469	F415-V431 HydrophobicContact CB-CG1 4.29Å; F415-V431 HydrophobicContact CD2-CG1 3.99Å; F415-V431 HydrophobicContact CG-CG1 4.38Å; T416-V431 WeakPolarHBondContact O-CA 3.47Å; A417-V431 HydrophobicContact CB-CG2 4.21Å; C429-V431 VanDerWaalsContact SG-CG2 3.54Å; V431-V443 WeakPolarHBondContact O-CA 3.41Å; V431-V444 PolarHBondContact N-O 2.95Å; V431-V444 PolarHBondContact O-N 3.43Å; V431-V446 HydrophobicContact CG2-CG2 4.3Å; V431-V465 HydrophobicContact CB-CG1 4.44Å; V431-V465 HydrophobicContact CG1-CG1 3.65Å; V431-V465 HydrophobicContact CG2-CG1 3.94Å; V431-V469 HydrophobicContact CB-CG2 4.02Å; V431-V469 HydrophobicContact CG1-CG2 4.04Å; V431-V469 HydrophobicContact CG2-CG2 4.14Å
432	C	80.4	Confident	67.3	Low	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.8	172.4	50.8	0	0	0	0	110.2	Q383 K385 F398 F415 T416 V443	Q383-C432 PolarHBondContact O-SG 2.97Å; K385-C432 HydrophobicContact CB-CB 4.45Å; F398-C432 WeakPolarHBondContact CE2-SG 3.49Å; F398-C432 HydrophobicContact CZ-CB 4.34Å; F398-C432 WeakPolarHBondContact CZ-SG 3.33Å; F415-C432 CarbonylContact C-O 3.53Å; F415-C432 WeakPolarHBondContact CA-O 3.45Å; F415-C432 VanDerWaalsContact CB-O 3.22Å; F415-C432 WeakPolarHBondContact CB-O 3.49Å; T416-C432 PolarHBondContact N-O 3.47Å; T416-C432 PolarHBondContact O-N 3.38Å; C432-V443 HydrophobicContact CB-CG2 4.15Å
433	G	76.1	Confident	67.4	Low	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.6	171.8	-159.7	0	0	0	0	0	111.6	D381 G382 H414	D381-G433 WeakPolarHBondContact O-CA 3.33Å; G382-G433 PolarHBondContact O-N 2.98Å; H414-G433 CarbonylContact O-C 3.56Å; H414-G433 VanDerWaalsContact O-CA 3.26Å; H414-G433 WeakPolarHBondContact O-CA 3.37Å
434	C	68	Low	67.5	Low	3 Å²	3	45.7 Å²	45.7	2%	0.02	26%	0.263	C	S	.	.			trans	80.8	58.4	-162.3	-50.1	0	0	0	0	115.4	H414 N436 L437 I439	H414-C434 PolarHBondContact O-N 3.25Å; C434-N436 PolarHBondContact O-N 2.87Å; C434-N436 VanDerWaalsContact O-N 3.16Å; C434-L437 HydrophobicContact CB-CB 4.22Å; C434-L437 HydrophobicContact CB-CD1 3.84Å; C434-L437 HydrophobicContact CB-CG 4.11Å; C434-L437 PolarHBondContact O-N 2.93Å; C434-I439 HydrophobicContact CB-CD1 3.85Å
435	K	67	Low	67.7	Low	128 Å²	128	46.3 Å²	46.3	56%	0.557	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-51.9	-34.6	168.4	-169.7	177.3	-177.5	176.1	0	113.4	D381 L437 G438	D381-K435 HydrophobicContact CB-CB 4.13Å; D381-K435 VanDerWaalsContact OD1-CB 3.31Å; D381-K435 WeakPolarHBondContact OD1-CB 3.42Å; K435-L437 PolarHBondContact O-N 3.39Å; K435-L437 VanDerWaalsContact O-N 3.12Å; K435-G438 PolarHBondContact O-N 2.84Å
436	N	62	Low	67.7	Low	141 Å²	141	40.7 Å²	40.7	75%	0.754	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-59.5	-21.1	176	-66.2	-14.9	0	0	0	114	C434	C434-N436 PolarHBondContact O-N 2.87Å; C434-N436 VanDerWaalsContact O-N 3.16Å
437	L	56.6	Low	67.5	Low	35 Å²	35	41.8 Å²	41.8	18%	0.183	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-94.2	4.6	175.5	-67	177	0	0	0	113.1	C434 K435 I439 Q466 V469 K470 L473	C434-L437 HydrophobicContact CB-CB 4.22Å; C434-L437 HydrophobicContact CB-CD1 3.84Å; C434-L437 HydrophobicContact CB-CG 4.11Å; C434-L437 PolarHBondContact O-N 2.93Å; K435-L437 PolarHBondContact O-N 3.39Å; K435-L437 VanDerWaalsContact O-N 3.12Å; L437-I439 VanDerWaalsContact C-N 3.25Å; L437-I439 HydrophobicContact CB-CD1 4.02Å; L437-I439 HydrophobicContact CB-CG1 4.06Å; L437-I439 HydrophobicContact CD1-CD1 4.34Å; L437-I439 PolarHBondContact O-N 2.95Å; L437-Q466 HydrophobicContact CD1-CB 3.88Å; L437-Q466 HydrophobicContact CD1-CG 3.95Å; L437-Q466 WeakPolarHBondContact CD1-O 3.3Å; L437-V469 HydrophobicContact CD1-CB 4.17Å; L437-V469 HydrophobicContact CD1-CG1 4.26Å; L437-K470 HydrophobicContact CD2-CB 3.81Å; L437-K470 HydrophobicContact CD2-CD 3.93Å; L437-K470 HydrophobicContact CD2-CG 4.1Å; L437-L473 HydrophobicContact CB-CD1 4.31Å; L437-L473 WeakPolarHBondContact O-CD1 3.24Å
438	G	57.3	Low	67.1	Low	70 Å²	70	41.3 Å²	41.3	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	3.4	-178.2	0	0	0	0	0	114.6	K435	K435-G438 PolarHBondContact O-N 2.84Å
439	I	55.6	Low	66.3	Low	6 Å²	6	42.6 Å²	42.6	3%	0.031	24%	0.238	C	C	.	.			trans	-69.3	-40	178.7	-55.5	165.5	0	0	0	111	C434 L437 Q441 S442 V444 V469 L473	C434-I439 HydrophobicContact CB-CD1 3.85Å; L437-I439 VanDerWaalsContact C-N 3.25Å; L437-I439 HydrophobicContact CB-CD1 4.02Å; L437-I439 HydrophobicContact CB-CG1 4.06Å; L437-I439 HydrophobicContact CD1-CD1 4.34Å; L437-I439 PolarHBondContact O-N 2.95Å; I439-Q441 PolarHBondContact O-N 3.36Å; I439-S442 WeakPolarHBondContact CG2-O 3.46Å; I439-S442 WeakPolarHBondContact O-CB 3.24Å; I439-S442 PolarHBondContact O-N 2.79Å; I439-S442 PolarHBondContact O-OG 3.23Å; I439-V444 HydrophobicContact CD1-CG2 4.04Å; I439-V444 HydrophobicContact CG1-CG2 3.91Å; I439-V444 HydrophobicContact CG2-CG2 3.85Å; I439-V469 HydrophobicContact CD1-CB 4.3Å; I439-V469 HydrophobicContact CD1-CG1 3.19Å; I439-V469 HydrophobicContact CG1-CG1 3.88Å; I439-L473 HydrophobicContact CG1-CD1 3.7Å
440	G	59.2	Low	65.3	Low	23 Å²	23	46.6 Å²	46.6	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-129.5	-171.4	0	0	0	0	0	111.2	D381 S442	D381-G440 CarbonylContact O-C 3.55Å; D381-G440 VanDerWaalsContact O-O 3.09Å; G440-S442 PolarHBondContact O-N 3.05Å
441	Q	56.4	Low	63.8	Low	92 Å²	92	50.6 Å²	50.6	43%	0.43	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.2	175.8	-69.2	177.9	-22.2	0	0	114.5	S387 I439	S387-Q441 PolarHBondContact O-NE2 3.45Å; S387-Q441 VanDerWaalsContact O-NE2 3.09Å; I439-Q441 PolarHBondContact O-N 3.36Å
442	S	62.9	Low	62.4	Low	75 Å²	75	52.3 Å²	52.3	52%	0.524	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70.5	150.5	177.5	-58.4	0	0	0	0	111	I439 G440	I439-S442 WeakPolarHBondContact CG2-O 3.46Å; I439-S442 WeakPolarHBondContact O-CB 3.24Å; I439-S442 PolarHBondContact O-N 2.79Å; I439-S442 PolarHBondContact O-OG 3.23Å; G440-S442 PolarHBondContact O-N 3.05Å
443	V	69.3	Low	61	Low	41 Å²	41	56.9 Å²	56.9	25%	0.248	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-101.4	124.5	169.5	-171.2	0	0	0	0	108.5	K385 F398 Y430 V431 C432	K385-V443 HydrophobicContact CB-CG2 4.14Å; K385-V443 HydrophobicContact CD-CG2 3.26Å; K385-V443 HydrophobicContact CG-CG2 3.49Å; K385-V443 VanDerWaalsContact CG-CG2 3.49Å; F398-V443 HydrophobicContact CZ-CG2 4.3Å; Y430-V443 HydrophobicContact CD1-CG1 3.7Å; Y430-V443 HydrophobicContact CG-CG1 4.27Å; V431-V443 WeakPolarHBondContact O-CA 3.41Å; C432-V443 HydrophobicContact CB-CG2 4.15Å
444	V	71.4	Confident	59.8	Low	7 Å²	7	57.1 Å²	57.1	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.3	173	-179.8	0	0	0	0	108.5	Y430 V431 I439 V446 V469 F472 L473	Y430-V444 WeakPolarHBondContact CA-O 3.24Å; V431-V444 PolarHBondContact N-O 2.95Å; V431-V444 PolarHBondContact O-N 3.43Å; I439-V444 HydrophobicContact CD1-CG2 4.04Å; I439-V444 HydrophobicContact CG1-CG2 3.91Å; I439-V444 HydrophobicContact CG2-CG2 3.85Å; V444-V446 HydrophobicContact CG1-CG2 4.07Å; V444-V469 HydrophobicContact CB-CG1 4.04Å; V444-V469 HydrophobicContact CG1-CG1 4.03Å; V444-V469 HydrophobicContact CG1-CG2 4.48Å; V444-V469 HydrophobicContact CG2-CG1 3.78Å; V444-F472 HydrophobicContact CG1-CB 4.41Å; V444-F472 HydrophobicContact CG1-CD1 3.36Å; V444-F472 HydrophobicContact CG1-CE1 3.75Å; V444-F472 HydrophobicContact CG1-CG 3.96Å; V444-L473 HydrophobicContact CG2-CD2 4.35Å
445	R	72.3	Confident	58.8	Low	104 Å²	104	61.6 Å²	61.6	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.9	169.1	-174.4	-166.2	-54.1	-131.3	6.9	108.5	C429 Y430	C429-R445 CarbonylContact O-C 3.54Å; C429-R445 WeakPolarHBondContact O-CA 3.49Å; Y430-R445 HydrophobicContact CD2-CG 4.31Å; Y430-R445 HydrophobicContact CE1-CB 4.42Å; Y430-R445 HydrophobicContact CE1-CG 4.42Å; Y430-R445 HydrophobicContact CE2-CG 3.89Å; Y430-R445 PolarHBondContact OH-NE 3.11Å; Y430-R445 PolarHBondContact OH-NH1 3.05Å; Y430-R445 PolarHBondContact OH-NH2 2.78Å; Y430-R445 VanDerWaalsContact OH-NH2 3.08Å
446	V	67.3	Low	57.9	Low	6 Å²	6	58.4 Å²	58.4	4%	0.036	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111	175.5	-178.2	0	0	0	0	108.2	C429 V431 V444 F448 V469 V481	C429-V446 HydrophobicContact CB-CB 4.26Å; C429-V446 PolarHBondContact N-O 3.24Å; C429-V446 PolarHBondContact O-N 3.47Å; V431-V446 HydrophobicContact CG2-CG2 4.3Å; V444-V446 HydrophobicContact CG1-CG2 4.07Å; V446-F448 HydrophobicContact CG1-CZ 4.41Å; V446-V469 HydrophobicContact CG2-CG2 4.2Å; V446-V481 HydrophobicContact CG1-CG1 4.41Å; V446-V481 HydrophobicContact CG1-CG2 3.37Å
447	E	62.8	Low	57	Low	85 Å²	85	58.4 Å²	58.4	40%	0.397	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.9	175.5	-71.6	-177.9	178	0	0	110.4	K478 V481	E447-K478 IonicContact OE1-NZ 3.43Å; E447-K478 IonicContact OE2-NZ 2.8Å; E447-K478 PolarHBondContact OE2-NZ 2.8Å; E447-V481 VanDerWaalsContact O-CG2 3.26Å; E447-V481 WeakPolarHBondContact O-CG2 3.33Å
448	F	59.6	Low	56.7	Low	23 Å²	23	60.5 Å²	60.5	10%	0.101	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-94.7	144.3	171.9	-60.5	-85	0	0	0	110.4	L419 C429 V446 P454 F459 V481	L419-F448 HydrophobicContact CD1-CE2 4.5Å; C429-F448 HydrophobicContact CB-CE2 3.48Å; C429-F448 VanDerWaalsContact CB-CE2 3.48Å; C429-F448 HydrophobicContact CB-CZ 3.85Å; V446-F448 HydrophobicContact CG1-CZ 4.41Å; F448-P454 HydrophobicContact CD1-CB 4.27Å; F448-P454 HydrophobicContact CD2-CB 4.15Å; F448-P454 HydrophobicContact CD2-CG 3.83Å; F448-P454 HydrophobicContact CE1-CB 4Å; F448-P454 HydrophobicContact CE2-CB 3.87Å; F448-P454 HydrophobicContact CE2-CG 3.9Å; F448-P454 HydrophobicContact CG-CB 4.36Å; F448-P454 HydrophobicContact CG-CG 4.23Å; F448-P454 HydrophobicContact CZ-CB 3.82Å; F448-P454 HydrophobicContact CZ-CG 4.36Å; F448-F459 AromaticContact CE2-CZ 3.93Å; F448-F459 HydrophobicContact CE2-CZ 3.93Å; F448-F459 AromaticContact CZ-CE1 3.84Å; F448-F459 HydrophobicContact CZ-CE1 3.84Å; F448-F459 AromaticContact CZ-CZ 3.51Å; F448-F459 HydrophobicContact CZ-CZ 3.51Å; F448-V481 HydrophobicContact CD1-CB 4.23Å; F448-V481 HydrophobicContact CD1-CG1 3.78Å; F448-V481 HydrophobicContact CE1-CB 4.47Å; F448-V481 HydrophobicContact CE1-CG1 3.61Å
449	P	54.4	Low	56.3	Low	38 Å²	38	57.8 Å²	57.8	25%	0.247	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.3	149.4	170.5	24.3	-28.6	0	0	0	111	S451 V452 D482	P449-S451 PolarHBondContact O-N 3.42Å; P449-V452 HydrophobicContact CG-CB 4.49Å; P449-V452 HydrophobicContact CG-CG2 4.09Å; P449-V452 PolarHBondContact O-N 2.8Å; P449-D482 HydrophobicContact CG-CB 3.66Å
450	S	54.2	Low	56	Low	84 Å²	84	61.8 Å²	61.8	59%	0.587	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-9.5	-177	-39.3	0	0	0	0	115.1
451	S	48.6	Very low	55.8	Low	99 Å²	99	63 Å²	63	69%	0.692	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15	176.8	57	0	0	0	0	113.8	P449	P449-S451 PolarHBondContact O-N 3.42Å
452	V	48.8	Very low	55.9	Low	38 Å²	38	61 Å²	61	23%	0.23	34%	0.344	C	S	.	.			trans	-117.8	127.2	-173.7	-176.3	0	0	0	0	110	P449 D482	P449-V452 HydrophobicContact CG-CB 4.49Å; P449-V452 HydrophobicContact CG-CG2 4.09Å; P449-V452 PolarHBondContact O-N 2.8Å; V452-D482 HydrophobicContact CG2-CB 4.28Å
453	V	51.7	Low	55.6	Low	96 Å²	96	60 Å²	60	58%	0.582	34%	0.337	S	S	*	.			trans	-89.7	119.6	165.3	-173.4	0	0	0	0	106.8	L455	V453-L455 PolarHBondContact O-N 2.95Å
454	P	50.2	Low	55	Low	6 Å²	6	59 Å²	59	4%	0.039	33%	0.33	C	S	.	.			trans	-64	103.5	170.3	24.8	-29.7	0	0	0	108	L419 P427 F448 F459	L419-P454 HydrophobicContact CD1-CB 4.24Å; L419-P454 HydrophobicContact CD1-CG 3.53Å; L419-P454 HydrophobicContact CD2-CG 4.13Å; L419-P454 HydrophobicContact CG-CG 4.5Å; P427-P454 HydrophobicContact CB-CG 3.82Å; P427-P454 HydrophobicContact CG-CG 4.16Å; F448-P454 HydrophobicContact CD1-CB 4.27Å; F448-P454 HydrophobicContact CD2-CB 4.15Å; F448-P454 HydrophobicContact CD2-CG 3.83Å; F448-P454 HydrophobicContact CE1-CB 4Å; F448-P454 HydrophobicContact CE2-CB 3.87Å; F448-P454 HydrophobicContact CE2-CG 3.9Å; F448-P454 HydrophobicContact CG-CB 4.36Å; F448-P454 HydrophobicContact CG-CG 4.23Å; F448-P454 HydrophobicContact CZ-CB 3.82Å; F448-P454 HydrophobicContact CZ-CG 4.36Å; P454-F459 HydrophobicContact CB-CE2 4.01Å; P454-F459 HydrophobicContact CB-CZ 4.02Å
455	L	46.6	Very low	54.5	Low	97 Å²	97	59 Å²	59	51%	0.508	33%	0.33	S	S	.	.			trans	-66.4	143.4	167	-75.3	151	0	0	0	109	V453 M457 Y458	V453-L455 PolarHBondContact O-N 2.95Å; L455-M457 PolarHBondContact O-N 2.7Å; L455-Y458 HydrophobicContact CB-CD2 3.87Å; L455-Y458 HydrophobicContact CB-CE2 3.72Å; L455-Y458 HydrophobicContact CD1-CE2 4.1Å; L455-Y458 HydrophobicContact CG-CE2 4.33Å; L455-Y458 VanDerWaalsContact O-CD2 3.22Å; L455-Y458 WeakPolarHBondContact O-CD2 3.12Å; L455-Y458 PolarHBondContact O-N 2.99Å
456	S	49.6	Very low	54	Low	61 Å²	61	55.6 Å²	55.6	43%	0.427	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-39.3	-38.2	171.8	58.4	0	0	0	0	114.3	E408 Y458 F459	E408-S456 WeakPolarHBondContact OE1-CA 3.4Å; E408-S456 WeakPolarHBondContact OE1-CB 3.27Å; E408-S456 WeakPolarHBondContact OE2-CA 3.38Å; S456-Y458 PolarHBondContact O-N 2.99Å; S456-Y458 VanDerWaalsContact O-N 3.15Å; S456-F459 PolarHBondContact O-N 3.38Å
457	M	43	Very low	53.7	Low	141 Å²	141	56.4 Å²	56.4	70%	0.695	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-61.1	-21.4	-177.7	-130.9	-179.6	-64.5	0	0	114.8	L455 S460	L455-M457 PolarHBondContact O-N 2.7Å; M457-S460 PolarHBondContact O-OG 3.12Å
458	Y	49.6	Very low	53.6	Low	79 Å²	79	53 Å²	53	31%	0.31	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-77.3	-29.7	-175.4	-68.7	-67	0	0	0	113.5	L455 S456 L464	L455-Y458 HydrophobicContact CB-CD2 3.87Å; L455-Y458 HydrophobicContact CB-CE2 3.72Å; L455-Y458 HydrophobicContact CD1-CE2 4.1Å; L455-Y458 HydrophobicContact CG-CE2 4.33Å; L455-Y458 VanDerWaalsContact O-CD2 3.22Å; L455-Y458 WeakPolarHBondContact O-CD2 3.12Å; L455-Y458 PolarHBondContact O-N 2.99Å; S456-Y458 PolarHBondContact O-N 2.99Å; S456-Y458 VanDerWaalsContact O-N 3.15Å; Y458-L464 HydrophobicContact CD1-CD1 4.36Å
459	F	49.2	Very low	53.7	Low	13 Å²	13	51.9 Å²	51.9	6%	0.057	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-13.2	-174.1	-58.9	-65.4	0	0	0	114.3	A410 F415 A417 L419 C429 F448 P454 S456 N461 V465	A410-F459 HydrophobicContact CB-CB 3.39Å; A410-F459 HydrophobicContact CB-CG 4.5Å; F415-F459 WeakPolarHBondContact CZ-O 3.41Å; A417-F459 HydrophobicContact CB-CB 4.21Å; A417-F459 HydrophobicContact CB-CD1 4.03Å; A417-F459 HydrophobicContact CB-CG 4.28Å; L419-F459 HydrophobicContact CB-CE2 4.39Å; L419-F459 HydrophobicContact CD1-CE2 4.25Å; L419-F459 HydrophobicContact CD1-CZ 4.33Å; C429-F459 HydrophobicContact CB-CE1 3.54Å; C429-F459 HydrophobicContact CB-CZ 3.54Å; C429-F459 WeakPolarHBondContact SG-CE1 3.36Å; F448-F459 AromaticContact CE2-CZ 3.93Å; F448-F459 HydrophobicContact CE2-CZ 3.93Å; F448-F459 AromaticContact CZ-CE1 3.84Å; F448-F459 HydrophobicContact CZ-CE1 3.84Å; F448-F459 AromaticContact CZ-CZ 3.51Å; F448-F459 HydrophobicContact CZ-CZ 3.51Å; P454-F459 HydrophobicContact CB-CE2 4.01Å; P454-F459 HydrophobicContact CB-CZ 4.02Å; S456-F459 PolarHBondContact O-N 3.38Å; F459-N461 VanDerWaalsContact C-N 3.28Å; F459-V465 HydrophobicContact CD1-CG2 4.22Å
460	S	48	Very low	54.2	Low	89 Å²	89	53.3 Å²	53.3	62%	0.622	31%	0.311	S	S	*	.	S	Bend	trans	-75.6	-18.9	174	62.4	0	0	0	0	112.7	M457 E462	M457-S460 PolarHBondContact O-OG 3.12Å; S460-E462 PolarHBondContact O-N 3.16Å
461	N	55.3	Low	54.3	Low	50 Å²	50	49.9 Å²	49.9	27%	0.267	29%	0.288	S	S	.	.			trans	-92	102.1	179.8	-171.8	-29.9	0	0	0	111.2	F459 C463 L464 V465	F459-N461 VanDerWaalsContact C-N 3.28Å; N461-C463 PolarHBondContact O-N 3.05Å; N461-C463 WeakPolarHBondContact OD1-CB 3.43Å; N461-C463 PolarHBondContact OD1-N 3.15Å; N461-L464 HydrophobicContact CB-CB 3.98Å; N461-L464 HydrophobicContact CB-CD1 4.15Å; N461-L464 WeakPolarHBondContact O-CB 3.38Å; N461-L464 PolarHBondContact O-N 3.43Å; N461-L464 PolarHBondContact OD1-N 3.13Å; N461-V465 PolarHBondContact O-N 3.39Å
462	E	59	Low	54.7	Low	49 Å²	49	48.9 Å²	48.9	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-36.3	179.2	-178.9	169.4	-151.9	0	0	113.5	S413 H414 F415 S460 L464 Q466	S413-E462 PolarHBondContact OG-OE2 3.48Å; H414-E462 IonicContact CD2-OE1 3.63Å; F415-E462 HydrophobicContact CD1-CG 4.24Å; F415-E462 HydrophobicContact CE1-CB 3.83Å; F415-E462 HydrophobicContact CE1-CG 3.8Å; S460-E462 PolarHBondContact O-N 3.16Å; E462-L464 VanDerWaalsContact C-N 3.29Å; E462-L464 PolarHBondContact O-N 2.83Å; E462-Q466 HydrophobicContact CG-CG 4.11Å; E462-Q466 VanDerWaalsContact CG-NE2 3.34Å; E462-Q466 WeakPolarHBondContact O-CB 3.42Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 2.62Å; E462-Q466 PolarHBondContact OE1-NE2 2.79Å; E462-Q466 VanDerWaalsContact OE1-NE2 3.12Å
463	C	57.1	Low	55.4	Low	54 Å²	54	49.6 Å²	49.6	37%	0.365	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-33.6	178.1	-65.1	0	0	0	0	112	N461 G467 Q488	N461-C463 PolarHBondContact O-N 3.05Å; N461-C463 WeakPolarHBondContact OD1-CB 3.43Å; N461-C463 PolarHBondContact OD1-N 3.15Å; C463-G467 PolarHBondContact O-N 3.43Å; C463-Q488 PolarHBondContact O-NE2 3.15Å
464	L	56.6	Low	55.7	Low	19 Å²	19	50.4 Å²	50.4	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-70.9	-50.7	178.2	-117.9	153.9	0	0	0	110.3	Y458 N461 E462 Q466 G467 C468	Y458-L464 HydrophobicContact CD1-CD1 4.36Å; N461-L464 HydrophobicContact CB-CB 3.98Å; N461-L464 HydrophobicContact CB-CD1 4.15Å; N461-L464 WeakPolarHBondContact O-CB 3.38Å; N461-L464 PolarHBondContact O-N 3.43Å; N461-L464 PolarHBondContact OD1-N 3.13Å; E462-L464 VanDerWaalsContact C-N 3.29Å; E462-L464 PolarHBondContact O-N 2.83Å; L464-Q466 PolarHBondContact O-N 2.7Å; L464-G467 PolarHBondContact O-N 3.49Å; L464-C468 WeakPolarHBondContact O-CB 3.46Å; L464-C468 PolarHBondContact O-N 2.69Å; L464-C468 PolarHBondContact O-SG 3.14Å
465	V	60.2	Low	56	Low	7 Å²	7	53.8 Å²	53.8	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-47.7	176.8	178.7	0	0	0	0	110.9	F415 V431 F459 N461 G467 C468 V469	F415-V465 HydrophobicContact CD2-CG1 3.91Å; F415-V465 HydrophobicContact CE1-CB 4.23Å; F415-V465 HydrophobicContact CE1-CG1 4.38Å; F415-V465 HydrophobicContact CE2-CB 4.02Å; F415-V465 HydrophobicContact CE2-CG1 3.72Å; F415-V465 HydrophobicContact CE2-CG2 3.82Å; F415-V465 HydrophobicContact CG-CG1 4.36Å; F415-V465 HydrophobicContact CZ-CB 3.79Å; F415-V465 HydrophobicContact CZ-CG1 3.97Å; F415-V465 HydrophobicContact CZ-CG2 3.67Å; V431-V465 HydrophobicContact CB-CG1 4.44Å; V431-V465 HydrophobicContact CG1-CG1 3.65Å; V431-V465 HydrophobicContact CG2-CG1 3.94Å; F459-V465 HydrophobicContact CD1-CG2 4.22Å; N461-V465 PolarHBondContact O-N 3.39Å; V465-G467 VanDerWaalsContact C-N 3.32Å; V465-G467 PolarHBondContact O-N 3.26Å; V465-C468 PolarHBondContact O-N 2.73Å; V465-V469 HydrophobicContact CG1-CG2 4.25Å; V465-V469 WeakPolarHBondContact O-CB 3.37Å; V465-V469 VanDerWaalsContact O-CG2 3.25Å; V465-V469 WeakPolarHBondContact O-CG2 3.35Å; V465-V469 PolarHBondContact O-N 3.05Å
466	Q	62.3	Low	56.3	Low	33 Å²	33	56.9 Å²	56.9	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-40.1	177.3	-74.1	-179.6	1.7	0	0	112.3	L437 E462 L464 K470	L437-Q466 HydrophobicContact CD1-CB 3.88Å; L437-Q466 HydrophobicContact CD1-CG 3.95Å; L437-Q466 WeakPolarHBondContact CD1-O 3.3Å; E462-Q466 HydrophobicContact CG-CG 4.11Å; E462-Q466 VanDerWaalsContact CG-NE2 3.34Å; E462-Q466 WeakPolarHBondContact O-CB 3.42Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 2.62Å; E462-Q466 PolarHBondContact OE1-NE2 2.79Å; E462-Q466 VanDerWaalsContact OE1-NE2 3.12Å; L464-Q466 PolarHBondContact O-N 2.7Å; Q466-K470 WeakPolarHBondContact O-CB 3.38Å; Q466-K470 PolarHBondContact O-N 3.05Å
467	G	60.3	Low	56.4	Low	23 Å²	23	55.3 Å²	55.3	24%	0.237	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-47.9	176	0	0	0	0	0	112.6	C463 L464 V465 A471	C463-G467 PolarHBondContact O-N 3.43Å; L464-G467 PolarHBondContact O-N 3.49Å; V465-G467 VanDerWaalsContact C-N 3.32Å; V465-G467 PolarHBondContact O-N 3.26Å; G467-A471 VanDerWaalsContact O-CB 3.28Å; G467-A471 WeakPolarHBondContact O-CB 3.45Å; G467-A471 PolarHBondContact O-N 3.12Å
468	C	60.7	Low	56.8	Low	13 Å²	13	56.4 Å²	56.4	9%	0.088	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-45.5	176.7	-69.8	0	0	0	0	111.9	L464 V465 F472	L464-C468 WeakPolarHBondContact O-CB 3.46Å; L464-C468 PolarHBondContact O-N 2.69Å; L464-C468 PolarHBondContact O-SG 3.14Å; V465-C468 PolarHBondContact O-N 2.73Å; C468-F472 PolarHBondContact O-N 2.94Å; C468-F472 VanDerWaalsContact O-N 3.09Å
469	V	63.2	Low	56.8	Low	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-45	-179.1	177.2	0	0	0	0	111.6	V431 L437 I439 V444 V446 V465 A471 F472 L473	V431-V469 HydrophobicContact CB-CG2 4.02Å; V431-V469 HydrophobicContact CG1-CG2 4.04Å; V431-V469 HydrophobicContact CG2-CG2 4.14Å; L437-V469 HydrophobicContact CD1-CB 4.17Å; L437-V469 HydrophobicContact CD1-CG1 4.26Å; I439-V469 HydrophobicContact CD1-CB 4.3Å; I439-V469 HydrophobicContact CD1-CG1 3.19Å; I439-V469 HydrophobicContact CG1-CG1 3.88Å; V444-V469 HydrophobicContact CB-CG1 4.04Å; V444-V469 HydrophobicContact CG1-CG1 4.03Å; V444-V469 HydrophobicContact CG1-CG2 4.48Å; V444-V469 HydrophobicContact CG2-CG1 3.78Å; V446-V469 HydrophobicContact CG2-CG2 4.2Å; V465-V469 HydrophobicContact CG1-CG2 4.25Å; V465-V469 WeakPolarHBondContact O-CB 3.37Å; V465-V469 VanDerWaalsContact O-CG2 3.25Å; V465-V469 WeakPolarHBondContact O-CG2 3.35Å; V465-V469 PolarHBondContact O-N 3.05Å; V469-A471 VanDerWaalsContact C-N 3.27Å; V469-A471 PolarHBondContact O-N 3.22Å; V469-F472 WeakPolarHBondContact O-CB 3.26Å; V469-F472 PolarHBondContact O-N 3.02Å; V469-L473 HydrophobicContact CG1-CD1 4.1Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CG 3.28Å; V469-L473 PolarHBondContact O-N 3.3Å
470	K	63.4	Low	57	Low	68 Å²	68	55.9 Å²	55.9	30%	0.296	30%	0.299	S	S	.	.	H	α-helix	trans	-57.1	-44.4	177.1	-174	167.7	-176.8	164.9	0	111.6	L437 Q466 F472 L473 D474 Y541	L437-K470 HydrophobicContact CD2-CB 3.81Å; L437-K470 HydrophobicContact CD2-CD 3.93Å; L437-K470 HydrophobicContact CD2-CG 4.1Å; Q466-K470 WeakPolarHBondContact O-CB 3.38Å; Q466-K470 PolarHBondContact O-N 3.05Å; K470-F472 VanDerWaalsContact C-N 3.34Å; K470-F472 PolarHBondContact O-N 2.99Å; K470-L473 PolarHBondContact O-N 3.11Å; K470-D474 WeakPolarHBondContact O-CB 3.43Å; K470-D474 PolarHBondContact O-N 3.45Å; K470-Y541 PolarHBondContact NZ-O 2.86Å
471	A	57.1	Low	57.2	Low	13 Å²	13	52.1 Å²	52.1	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-35.1	-179.7	0	0	0	0	0	113	G467 V469 L473 D475 L479 L484	G467-A471 VanDerWaalsContact O-CB 3.28Å; G467-A471 WeakPolarHBondContact O-CB 3.45Å; G467-A471 PolarHBondContact O-N 3.12Å; V469-A471 VanDerWaalsContact C-N 3.27Å; V469-A471 PolarHBondContact O-N 3.22Å; A471-L473 VanDerWaalsContact C-N 3.34Å; A471-D475 PolarHBondContact O-N 2.94Å; A471-L479 HydrophobicContact CB-CD2 3.65Å; A471-L484 HydrophobicContact CB-CD1 3.22Å; A471-L484 HydrophobicContact CB-CD2 3.93Å; A471-L484 HydrophobicContact CB-CG 4.15Å
472	F	57.8	Low	57.3	Low	78 Å²	78	51.2 Å²	51.2	34%	0.342	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-41.7	170.9	177.9	-91.6	0	0	0	111.9	V444 C468 V469 K470 H476	V444-F472 HydrophobicContact CG1-CB 4.41Å; V444-F472 HydrophobicContact CG1-CD1 3.36Å; V444-F472 HydrophobicContact CG1-CE1 3.75Å; V444-F472 HydrophobicContact CG1-CG 3.96Å; C468-F472 PolarHBondContact O-N 2.94Å; C468-F472 VanDerWaalsContact O-N 3.09Å; V469-F472 WeakPolarHBondContact O-CB 3.26Å; V469-F472 PolarHBondContact O-N 3.02Å; K470-F472 VanDerWaalsContact C-N 3.34Å; K470-F472 PolarHBondContact O-N 2.99Å; F472-H476 PolarHBondContact O-N 3.35Å
473	L	62.2	Low	57.2	Low	53 Å²	53	49 Å²	49	28%	0.277	26%	0.258	S	S	.	.	H	α-helix	trans	-69.7	-40.1	178	-66.2	171.5	0	0	0	112.8	L437 I439 V444 V469 K470 A471	L437-L473 HydrophobicContact CB-CD1 4.31Å; L437-L473 WeakPolarHBondContact O-CD1 3.24Å; I439-L473 HydrophobicContact CG1-CD1 3.7Å; V444-L473 HydrophobicContact CG2-CD2 4.35Å; V469-L473 HydrophobicContact CG1-CD1 4.1Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CG 3.28Å; V469-L473 PolarHBondContact O-N 3.3Å; K470-L473 PolarHBondContact O-N 3.11Å; A471-L473 VanDerWaalsContact C-N 3.34Å
474	D	59.3	Low	57.1	Low	113 Å²	113	47.3 Å²	47.3	60%	0.604	25%	0.245	S	C	*	.	H	α-helix	trans	-68.7	-35.3	-174.3	-78.8	-14.6	0	0	0	112.6	K470	K470-D474 WeakPolarHBondContact O-CB 3.43Å; K470-D474 PolarHBondContact O-N 3.45Å
475	D	55	Low	56.9	Low	76 Å²	76	47.6 Å²	47.6	41%	0.406	25%	0.248	S	C	.	.	H	α-helix	trans	-112.2	-17.3	-170.1	-159.5	32.8	0	0	0	114.5	A471 S477	A471-D475 PolarHBondContact O-N 2.94Å; D475-S477 PolarHBondContact O-N 2.66Å; D475-S477 WeakPolarHBondContact OD2-CB 3.29Å; D475-S477 PolarHBondContact OD2-OG 3.05Å
476	H	53	Low	57	Low	162 Å²	162	52.2 Å²	52.2	75%	0.75	27%	0.268	S	S	*	.			trans	50.3	-12	-170.3	-68.1	-56.4	0	0	0	116.2	F472	F472-H476 PolarHBondContact O-N 3.35Å
477	S	51.9	Low	56.8	Low	29 Å²	29	50.7 Å²	50.7	20%	0.203	26%	0.261	C	S	.	.	S	Bend	trans	-77.9	146.7	174	105	0	0	0	0	107	D475 L479	D475-S477 PolarHBondContact O-N 2.66Å; D475-S477 WeakPolarHBondContact OD2-CB 3.29Å; D475-S477 PolarHBondContact OD2-OG 3.05Å; S477-L479 PolarHBondContact O-N 3.44Å
478	K	51.1	Low	56.6	Low	164 Å²	164	51.5 Å²	51.5	71%	0.713	26%	0.258	S	S	*	.			trans	-65.5	63.5	175.4	-63.5	-173.7	177.3	-135.9	0	110.1	E447 P480	E447-K478 IonicContact OE1-NZ 3.43Å; E447-K478 IonicContact OE2-NZ 2.8Å; E447-K478 PolarHBondContact OE2-NZ 2.8Å; K478-P480 WeakPolarHBondContact O-CD 3.26Å
479	L	50.8	Low	56.4	Low	31 Å²	31	58.6 Å²	58.6	16%	0.162	28%	0.284	C	S	.	.			trans	-56.2	122	172.9	-157.9	76.7	0	0	0	106.1	A471 S477 V481 L484 L617	A471-L479 HydrophobicContact CB-CD2 3.65Å; S477-L479 PolarHBondContact O-N 3.44Å; L479-V481 PolarHBondContact O-N 2.66Å; L479-L484 HydrophobicContact CD2-CD1 4.06Å; L479-L484 HydrophobicContact CD2-CD2 4.35Å; L479-L484 HydrophobicContact CD2-CG 4.21Å; L479-L617 HydrophobicContact CD1-CB 4.43Å; L479-L617 HydrophobicContact CD1-CD2 3.3Å; L479-L617 HydrophobicContact CD1-CG 4.45Å; L479-L617 HydrophobicContact CD2-CD2 3.58Å; L479-L617 HydrophobicContact CG-CD2 3.43Å; L479-L617 VanDerWaalsContact CG-CD2 3.43Å
480	P	53.1	Low	56.3	Low	49 Å²	49	59.1 Å²	59.1	32%	0.318	29%	0.288	S	S	.	.			trans	-61.9	116.7	-179.2	-18.9	30.4	0	0	0	107	K478 D482 C483	K478-P480 WeakPolarHBondContact O-CD 3.26Å; P480-D482 HydrophobicContact CB-CB 4.12Å; P480-D482 PolarHBondContact O-N 2.86Å; P480-C483 WeakPolarHBondContact O-CB 3.18Å; P480-C483 PolarHBondContact O-N 2.74Å
481	V	53.1	Low	56.2	Low	10 Å²	10	56.9 Å²	56.9	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-46.9	-31.8	168.8	172.7	0	0	0	0	110.2	V446 E447 F448 L479 C483 L484 C485	V446-V481 HydrophobicContact CG1-CG1 4.41Å; V446-V481 HydrophobicContact CG1-CG2 3.37Å; E447-V481 VanDerWaalsContact O-CG2 3.26Å; E447-V481 WeakPolarHBondContact O-CG2 3.33Å; F448-V481 HydrophobicContact CD1-CB 4.23Å; F448-V481 HydrophobicContact CD1-CG1 3.78Å; F448-V481 HydrophobicContact CE1-CB 4.47Å; F448-V481 HydrophobicContact CE1-CG1 3.61Å; L479-V481 PolarHBondContact O-N 2.66Å; V481-C483 PolarHBondContact O-N 2.94Å; V481-L484 PolarHBondContact O-N 3.05Å; V481-C485 WeakPolarHBondContact O-CB 3.35Å; V481-C485 PolarHBondContact O-N 2.99Å; V481-C485 PolarHBondContact O-SG 3.45Å
482	D	55.8	Low	56.1	Low	32 Å²	32	61.9 Å²	61.9	17%	0.171	30%	0.302	C	S	.	.	H	α-helix	trans	-52.7	-44.7	170	-178	54.9	0	0	0	114.8	P449 V452 P480 L484 C485 K486	P449-D482 HydrophobicContact CG-CB 3.66Å; V452-D482 HydrophobicContact CG2-CB 4.28Å; P480-D482 HydrophobicContact CB-CB 4.12Å; P480-D482 PolarHBondContact O-N 2.86Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 3.25Å; D482-C485 PolarHBondContact O-N 3.17Å; D482-K486 VanDerWaalsContact O-CB 3.26Å; D482-K486 WeakPolarHBondContact O-CB 3.18Å; D482-K486 WeakPolarHBondContact O-CG 3.35Å; D482-K486 PolarHBondContact O-N 3.13Å; D482-K486 WeakPolarHBondContact OD1-CE 3.44Å; D482-K486 IonicContact OD1-NZ 3.42Å; D482-K486 WeakPolarHBondContact OD2-CE 3.49Å; D482-K486 IonicContact OD2-NZ 2.72Å; D482-K486 PolarHBondContact OD2-NZ 3.02Å
483	C	57.1	Low	56.3	Low	2 Å²	2	62.5 Å²	62.5	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-42.3	177.6	-69.5	0	0	0	0	111.3	P480 V481 A487 I613 L617	P480-C483 WeakPolarHBondContact O-CB 3.18Å; P480-C483 PolarHBondContact O-N 2.74Å; V481-C483 PolarHBondContact O-N 2.94Å; C483-A487 VanDerWaalsContact O-CB 3.31Å; C483-A487 WeakPolarHBondContact O-CB 3.37Å; C483-A487 PolarHBondContact O-N 2.65Å; C483-I613 HydrophobicContact CB-CG2 3.94Å; C483-I613 WeakPolarHBondContact O-CG2 3.27Å; C483-L617 HydrophobicContact CB-CD2 3.78Å; C483-L617 HydrophobicContact CB-CG 4.3Å
484	L	54.3	Low	56.4	Low	19 Å²	19	60.7 Å²	60.7	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-44.6	177.2	-65.3	166	0	0	0	111.6	A471 L479 V481 D482 K486 A487 Q488	A471-L484 HydrophobicContact CB-CD1 3.22Å; A471-L484 HydrophobicContact CB-CD2 3.93Å; A471-L484 HydrophobicContact CB-CG 4.15Å; L479-L484 HydrophobicContact CD2-CD1 4.06Å; L479-L484 HydrophobicContact CD2-CD2 4.35Å; L479-L484 HydrophobicContact CD2-CG 4.21Å; V481-L484 PolarHBondContact O-N 3.05Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 3.25Å; L484-K486 PolarHBondContact O-N 2.77Å; L484-A487 CarbonylContact O-C 3.51Å; L484-A487 PolarHBondContact O-N 2.82Å; L484-A487 VanDerWaalsContact O-N 3.16Å; L484-Q488 WeakPolarHBondContact O-CB 3.39Å; L484-Q488 PolarHBondContact O-N 2.84Å
485	C	54.1	Low	56.8	Low	24 Å²	24	57.3 Å²	57.3	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-45.4	176.9	-71.1	0	0	0	0	111.1	V481 D482 A487 Q488 Y489	V481-C485 WeakPolarHBondContact O-CB 3.35Å; V481-C485 PolarHBondContact O-N 2.99Å; V481-C485 PolarHBondContact O-SG 3.45Å; D482-C485 PolarHBondContact O-N 3.17Å; C485-A487 VanDerWaalsContact C-N 3.31Å; C485-A487 PolarHBondContact O-N 3.32Å; C485-Q488 PolarHBondContact O-N 3.11Å; C485-Y489 WeakPolarHBondContact O-CB 3.31Å; C485-Y489 PolarHBondContact O-N 2.78Å
486	K	60.7	Low	57.5	Low	104 Å²	104	59.2 Å²	59.2	45%	0.452	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-41.5	174	-75.2	169.8	172.6	166.3	0	111.3	D482 L484 S490 I613	D482-K486 VanDerWaalsContact O-CB 3.26Å; D482-K486 WeakPolarHBondContact O-CB 3.18Å; D482-K486 WeakPolarHBondContact O-CG 3.35Å; D482-K486 PolarHBondContact O-N 3.13Å; D482-K486 WeakPolarHBondContact OD1-CE 3.44Å; D482-K486 IonicContact OD1-NZ 3.42Å; D482-K486 WeakPolarHBondContact OD2-CE 3.49Å; D482-K486 IonicContact OD2-NZ 2.72Å; D482-K486 PolarHBondContact OD2-NZ 3.02Å; L484-K486 PolarHBondContact O-N 2.77Å; K486-S490 WeakPolarHBondContact O-CB 3.43Å; K486-S490 PolarHBondContact O-N 2.88Å; K486-I613 HydrophobicContact CB-CD1 3.62Å
487	A	58.1	Low	58.3	Low	1 Å²	1	53.5 Å²	53.5	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-45.6	177.9	0	0	0	0	0	112.2	C483 L484 C485 L491 L544 I613	C483-A487 VanDerWaalsContact O-CB 3.31Å; C483-A487 WeakPolarHBondContact O-CB 3.37Å; C483-A487 PolarHBondContact O-N 2.65Å; L484-A487 CarbonylContact O-C 3.51Å; L484-A487 PolarHBondContact O-N 2.82Å; L484-A487 VanDerWaalsContact O-N 3.16Å; C485-A487 VanDerWaalsContact C-N 3.31Å; C485-A487 PolarHBondContact O-N 3.32Å; A487-L491 WeakPolarHBondContact O-CB 3.48Å; A487-L491 WeakPolarHBondContact O-CD1 3.5Å; A487-L491 WeakPolarHBondContact O-CG 3.16Å; A487-L491 PolarHBondContact O-N 2.9Å; A487-L544 HydrophobicContact CB-CD1 3.81Å; A487-L544 HydrophobicContact CB-CD2 3.66Å; A487-L544 HydrophobicContact CB-CG 4.41Å; A487-I613 HydrophobicContact CB-CD1 4.15Å; A487-I613 HydrophobicContact CB-CG2 4.18Å
488	Q	56.9	Low	59.4	Low	41 Å²	41	52.3 Å²	52.3	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-43.6	178.4	-90.7	177.8	-37.2	0	0	112.3	C463 L484 C485 S490 L491 M492	C463-Q488 PolarHBondContact O-NE2 3.15Å; L484-Q488 WeakPolarHBondContact O-CB 3.39Å; L484-Q488 PolarHBondContact O-N 2.84Å; C485-Q488 PolarHBondContact O-N 3.11Å; Q488-S490 VanDerWaalsContact C-N 3.34Å; Q488-L491 WeakPolarHBondContact O-CB 3.26Å; Q488-L491 PolarHBondContact O-N 3.46Å; Q488-M492 WeakPolarHBondContact O-CB 3.3Å; Q488-M492 WeakPolarHBondContact O-CG 3.29Å; Q488-M492 PolarHBondContact O-N 3.31Å
489	Y	56.2	Low	60.6	Low	162 Å²	162	47.2 Å²	47.2	64%	0.635	23%	0.231	S	C	*	.	H	α-helix	trans	-60.8	-46.8	174.4	-176.5	-92.9	0	0	0	110.6	C485 L491 M492 D493	C485-Y489 WeakPolarHBondContact O-CB 3.31Å; C485-Y489 PolarHBondContact O-N 2.78Å; Y489-L491 PolarHBondContact O-N 2.77Å; Y489-M492 PolarHBondContact O-N 2.95Å; Y489-D493 HydrophobicContact CE1-CB 4.43Å; Y489-D493 VanDerWaalsContact O-CB 3.29Å; Y489-D493 WeakPolarHBondContact O-CB 3.03Å; Y489-D493 PolarHBondContact O-N 3.43Å
490	S	61.5	Low	61.7	Low	10 Å²	10	49.4 Å²	49.4	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-53.3	172.6	-170	0	0	0	0	109.5	K486 Q488 M492 D493 Q494	K486-S490 WeakPolarHBondContact O-CB 3.43Å; K486-S490 PolarHBondContact O-N 2.88Å; Q488-S490 VanDerWaalsContact C-N 3.34Å; S490-M492 VanDerWaalsContact C-N 3.32Å; S490-M492 PolarHBondContact O-N 2.88Å; S490-D493 PolarHBondContact O-N 3.24Å; S490-Q494 WeakPolarHBondContact O-CB 3.43Å; S490-Q494 WeakPolarHBondContact O-CG 3.26Å; S490-Q494 PolarHBondContact O-N 3.3Å
491	L	60.2	Low	62.8	Low	22 Å²	22	47.1 Å²	47.1	12%	0.115	23%	0.225	C	C	.	.	H	α-helix	trans	-54.2	-41.8	177.6	-76.8	162.3	0	0	0	114.3	A487 Q488 Y489 N495 Y533 A537 L544 L547 M610	A487-L491 WeakPolarHBondContact O-CB 3.48Å; A487-L491 WeakPolarHBondContact O-CD1 3.5Å; A487-L491 WeakPolarHBondContact O-CG 3.16Å; A487-L491 PolarHBondContact O-N 2.9Å; Q488-L491 WeakPolarHBondContact O-CB 3.26Å; Q488-L491 PolarHBondContact O-N 3.46Å; Y489-L491 PolarHBondContact O-N 2.77Å; L491-N495 PolarHBondContact O-N 3.38Å; L491-Y533 HydrophobicContact CD2-CE1 3.81Å; L491-A537 HydrophobicContact CD2-CB 3.83Å; L491-L544 HydrophobicContact CD1-CD1 3.96Å; L491-L547 HydrophobicContact CD1-CD2 3.68Å; L491-L547 HydrophobicContact CD2-CD2 3.56Å; L491-L547 HydrophobicContact CG-CD2 4.28Å; L491-M610 HydrophobicContact CD1-CE 3.8Å; L491-M610 HydrophobicContact CD2-CE 3.73Å; L491-M610 HydrophobicContact CD2-SD 3.61Å; L491-M610 HydrophobicContact CG-CE 3.64Å; L491-M610 HydrophobicContact CG-SD 3.79Å
492	M	56.7	Low	64.2	Low	117 Å²	117	46.8 Å²	46.8	58%	0.576	22%	0.223	S	C	*	.	H	α-helix	trans	-67.4	-50.1	178.9	-74.3	179.3	66.1	0	0	111.6	Q488 Y489 S490 N495	Q488-M492 WeakPolarHBondContact O-CB 3.3Å; Q488-M492 WeakPolarHBondContact O-CG 3.29Å; Q488-M492 PolarHBondContact O-N 3.31Å; Y489-M492 PolarHBondContact O-N 2.95Å; S490-M492 VanDerWaalsContact C-N 3.32Å; S490-M492 PolarHBondContact O-N 2.88Å; M492-N495 WeakPolarHBondContact O-CB 3.24Å; M492-N495 PolarHBondContact O-N 3.41Å
493	D	60.6	Low	65.4	Low	92 Å²	92	51 Å²	51	49%	0.492	24%	0.241	S	C	.	.	H	α-helix	trans	-66.9	-38.9	-179.2	-170.8	42.1	0	0	0	111.6	Y489 S490 N495	Y489-D493 HydrophobicContact CE1-CB 4.43Å; Y489-D493 VanDerWaalsContact O-CB 3.29Å; Y489-D493 WeakPolarHBondContact O-CB 3.03Å; Y489-D493 PolarHBondContact O-N 3.43Å; S490-D493 PolarHBondContact O-N 3.24Å; D493-N495 PolarHBondContact O-N 3.35Å
494	Q	64.9	Low	66.2	Low	14 Å²	14	52.2 Å²	52.2	7%	0.065	25%	0.247	C	C	.	.	H	α-helix	trans	-72.9	-8.9	-179.3	-69.5	-40.8	-73.5	0	0	113.8	S490 H496 L497 L498 L606	S490-Q494 WeakPolarHBondContact O-CB 3.43Å; S490-Q494 WeakPolarHBondContact O-CG 3.26Å; S490-Q494 PolarHBondContact O-N 3.3Å; Q494-H496 VanDerWaalsContact C-N 3.32Å; Q494-H496 PolarHBondContact O-N 2.88Å; Q494-L497 PolarHBondContact O-N 2.76Å; Q494-L497 VanDerWaalsContact O-N 3.1Å; Q494-L498 WeakPolarHBondContact O-CB 3.1Å; Q494-L498 WeakPolarHBondContact O-CG 3.19Å; Q494-L498 PolarHBondContact O-N 2.75Å; Q494-L606 HydrophobicContact CB-CD2 3.37Å; Q494-L606 HydrophobicContact CG-CD2 3.51Å; Q494-L606 HydrophobicContact CG-CG 4.49Å
495	N	68.4	Low	67.4	Low	43 Å²	43	51.3 Å²	51.3	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-173.9	-162.7	-22.5	0	0	0	112.7	L491 M492 D493 K499 R534 M538	L491-N495 PolarHBondContact O-N 3.38Å; M492-N495 WeakPolarHBondContact O-CB 3.24Å; M492-N495 PolarHBondContact O-N 3.41Å; D493-N495 PolarHBondContact O-N 3.35Å; N495-K499 PolarHBondContact O-N 2.96Å; N495-R534 PolarHBondContact O-NE 2.96Å; N495-R534 PolarHBondContact OD1-NE 3.22Å; N495-R534 PolarHBondContact OD1-NH2 3.02Å; N495-M538 WeakPolarHBondContact ND2-CE 3.38Å; N495-M538 WeakPolarHBondContact OD1-CE 3.15Å
496	H	69.7	Low	68.8	Low	115 Å²	115	54 Å²	54	53%	0.532	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-44.3	172.9	174.4	58.2	0	0	0	111.9	Q494 L498 K499 Q500	Q494-H496 VanDerWaalsContact C-N 3.32Å; Q494-H496 PolarHBondContact O-N 2.88Å; H496-L498 PolarHBondContact O-N 3.03Å; H496-K499 WeakPolarHBondContact O-CB 3.13Å; H496-K499 PolarHBondContact O-N 2.98Å; H496-K499 VanDerWaalsContact O-N 3.15Å; H496-Q500 PolarHBondContact CE1-NE2 3.44Å; H496-Q500 VanDerWaalsContact CE1-NE2 3.29Å; H496-Q500 PolarHBondContact NE2-NE2 2.66Å; H496-Q500 PolarHBondContact O-N 3.23Å
497	L	69.2	Low	69.5	Low	42 Å²	42	55 Å²	55	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-39.5	-178.5	-64.8	170.1	0	0	0	111.9	Q494 K499 Q500 L501 L602 L606	Q494-L497 PolarHBondContact O-N 2.76Å; Q494-L497 VanDerWaalsContact O-N 3.1Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 3.17Å; L497-Q500 PolarHBondContact O-N 3.08Å; L497-L501 VanDerWaalsContact O-CB 3.31Å; L497-L501 WeakPolarHBondContact O-CB 3.4Å; L497-L501 PolarHBondContact O-N 3.46Å; L497-L602 HydrophobicContact CB-CD2 4.49Å; L497-L602 HydrophobicContact CD2-CD2 3.72Å; L497-L606 HydrophobicContact CB-CD1 4.4Å; L497-L606 HydrophobicContact CB-CD2 4.01Å; L497-L606 HydrophobicContact CB-CG 4.43Å
498	L	75	Confident	70.2	Confident	4 Å²	4	55 Å²	55	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-42.6	172	-73.9	170.7	0	0	0	111.6	Q494 H496 A502 L530 Y533 R534 L606 F607	Q494-L498 WeakPolarHBondContact O-CB 3.1Å; Q494-L498 WeakPolarHBondContact O-CG 3.19Å; Q494-L498 PolarHBondContact O-N 2.75Å; H496-L498 PolarHBondContact O-N 3.03Å; L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 2.86Å; L498-L530 HydrophobicContact CD2-CD2 3.81Å; L498-Y533 HydrophobicContact CD1-CD1 4.04Å; L498-Y533 HydrophobicContact CD1-CE1 4.36Å; L498-Y533 HydrophobicContact CD2-CD1 4.35Å; L498-R534 HydrophobicContact CD1-CB 4.28Å; L498-L606 HydrophobicContact CD2-CD1 4.25Å; L498-L606 HydrophobicContact CD2-CD2 3.83Å; L498-L606 HydrophobicContact CG-CD2 3.79Å; L498-F607 HydrophobicContact CD2-CE1 4.46Å; L498-F607 HydrophobicContact CD2-CZ 3.88Å
499	K	75.3	Confident	71.1	Confident	57 Å²	57	53.5 Å²	53.5	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-43.7	178	-170.6	-176.8	-177	180	0	111.2	N495 H496 L497 K503	N495-K499 PolarHBondContact O-N 2.96Å; H496-K499 WeakPolarHBondContact O-CB 3.13Å; H496-K499 PolarHBondContact O-N 2.98Å; H496-K499 VanDerWaalsContact O-N 3.15Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 3.17Å; K499-K503 WeakPolarHBondContact O-CG 3.5Å; K499-K503 PolarHBondContact O-N 3.14Å
500	Q	74.5	Confident	72.1	Confident	78 Å²	78	50.3 Å²	50.3	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-49.9	176.4	-76.7	-176.1	-30.5	0	0	111	H496 L497 A502 K503 I504	H496-Q500 PolarHBondContact CE1-NE2 3.44Å; H496-Q500 VanDerWaalsContact CE1-NE2 3.29Å; H496-Q500 PolarHBondContact NE2-NE2 2.66Å; H496-Q500 PolarHBondContact O-N 3.23Å; L497-Q500 PolarHBondContact O-N 3.08Å; Q500-A502 VanDerWaalsContact C-N 3.34Å; Q500-A502 PolarHBondContact O-N 3.16Å; Q500-K503 WeakPolarHBondContact O-CB 3.26Å; Q500-K503 PolarHBondContact O-N 3.13Å; Q500-K503 VanDerWaalsContact O-N 3.09Å; Q500-I504 HydrophobicContact CB-CD1 4.47Å; Q500-I504 WeakPolarHBondContact O-CD1 3.37Å; Q500-I504 WeakPolarHBondContact O-CG1 3.38Å; Q500-I504 PolarHBondContact O-N 3.26Å
501	L	76.4	Confident	72.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-42.2	-179.3	-176.6	62.8	0	0	0	112.3	L497 K503 I504 L505 L530 E598 L602 P603 L606	L497-L501 VanDerWaalsContact O-CB 3.31Å; L497-L501 WeakPolarHBondContact O-CB 3.4Å; L497-L501 PolarHBondContact O-N 3.46Å; L501-K503 VanDerWaalsContact C-N 3.29Å; L501-K503 PolarHBondContact O-N 3Å; L501-I504 PolarHBondContact O-N 2.84Å; L501-L505 HydrophobicContact CD1-CD1 4.36Å; L501-L505 HydrophobicContact CD1-CG 4.42Å; L501-L505 HydrophobicContact CG-CD1 4.01Å; L501-L505 WeakPolarHBondContact O-CB 3.48Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.2Å; L501-L530 HydrophobicContact CB-CD1 4.08Å; L501-L530 HydrophobicContact CD2-CD1 3.61Å; L501-L530 HydrophobicContact CD2-CD2 4.29Å; L501-L530 HydrophobicContact CG-CD1 3.63Å; L501-E598 WeakPolarHBondContact CD1-O 3.21Å; L501-L602 HydrophobicContact CD1-CB 4.1Å; L501-P603 HydrophobicContact CD1-CG 4.29Å; L501-P603 HydrophobicContact CD2-CB 3.69Å; L501-P603 HydrophobicContact CD2-CG 3.79Å; L501-L606 HydrophobicContact CB-CD1 4.43Å; L501-L606 HydrophobicContact CD2-CD1 3.67Å
502	A	82.7	Confident	72.8	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-38.4	176.2	0	0	0	0	0	112.5	L498 Q500 E506 S527 L530 K531	L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 2.86Å; Q500-A502 VanDerWaalsContact C-N 3.34Å; Q500-A502 PolarHBondContact O-N 3.16Å; A502-E506 PolarHBondContact O-N 2.84Å; A502-S527 PolarHBondContact O-OG 3.16Å; A502-L530 HydrophobicContact CB-CB 4.16Å; A502-L530 HydrophobicContact CB-CD1 4.27Å; A502-K531 HydrophobicContact CB-CG 4.17Å
503	K	81.3	Confident	72.9	Confident	122 Å²	122	54.4 Å²	54.4	53%	0.53	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-43.1	174.7	-75.4	-174.9	173.8	-167.8	0	112	K499 Q500 L501 E506 W507	K499-K503 WeakPolarHBondContact O-CG 3.5Å; K499-K503 PolarHBondContact O-N 3.14Å; Q500-K503 WeakPolarHBondContact O-CB 3.26Å; Q500-K503 PolarHBondContact O-N 3.13Å; Q500-K503 VanDerWaalsContact O-N 3.09Å; L501-K503 VanDerWaalsContact C-N 3.29Å; L501-K503 PolarHBondContact O-N 3Å; K503-E506 PolarHBondContact O-N 2.81Å; K503-W507 PolarHBondContact O-N 3.33Å
504	I	74.5	Confident	72.8	Confident	27 Å²	27	50.2 Å²	50.2	14%	0.138	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-45.3	178.6	-69.2	157.1	0	0	0	110.3	Q500 L501 E506 W507 I508 E598 L602	Q500-I504 HydrophobicContact CB-CD1 4.47Å; Q500-I504 WeakPolarHBondContact O-CD1 3.37Å; Q500-I504 WeakPolarHBondContact O-CG1 3.38Å; Q500-I504 PolarHBondContact O-N 3.26Å; L501-I504 PolarHBondContact O-N 2.84Å; I504-E506 VanDerWaalsContact C-N 3.34Å; I504-E506 PolarHBondContact O-N 2.84Å; I504-W507 PolarHBondContact O-N 3.13Å; I504-I508 HydrophobicContact CG2-CD1 3.57Å; I504-I508 HydrophobicContact CG2-CG1 4.34Å; I504-I508 WeakPolarHBondContact O-CD1 3.32Å; I504-I508 VanDerWaalsContact O-CG1 3.26Å; I504-I508 WeakPolarHBondContact O-CG1 3.02Å; I504-I508 PolarHBondContact O-N 3.14Å; I504-E598 HydrophobicContact CD1-CB 4.37Å; I504-E598 WeakPolarHBondContact CD1-OE2 3.46Å; I504-E598 WeakPolarHBondContact CG1-OE2 3.34Å; I504-E598 HydrophobicContact CG2-CB 4.17Å; I504-L602 HydrophobicContact CD1-CD1 4.14Å
505	L	79.2	Confident	72.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-39	176.6	-74.5	164.2	0	0	0	113	L501 S509 L523 F526 L530 L599	L501-L505 HydrophobicContact CD1-CD1 4.36Å; L501-L505 HydrophobicContact CD1-CG 4.42Å; L501-L505 HydrophobicContact CG-CD1 4.01Å; L501-L505 WeakPolarHBondContact O-CB 3.48Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.2Å; L505-S509 WeakPolarHBondContact O-CB 3.43Å; L505-S509 PolarHBondContact O-N 3.45Å; L505-L523 HydrophobicContact CD2-CD2 3.7Å; L505-F526 HydrophobicContact CD1-CB 4.15Å; L505-F526 HydrophobicContact CD1-CD1 3.34Å; L505-F526 HydrophobicContact CD1-CD2 4.46Å; L505-F526 HydrophobicContact CD1-CE1 3.82Å; L505-F526 HydrophobicContact CD1-CG 3.72Å; L505-F526 HydrophobicContact CD2-CD1 3.67Å; L505-F526 HydrophobicContact CD2-CE1 4.29Å; L505-F526 HydrophobicContact CG-CD1 4.17Å; L505-L530 HydrophobicContact CD1-CD1 3.45Å; L505-L530 VanDerWaalsContact CD1-CD1 3.45Å; L505-L599 HydrophobicContact CD2-CD1 3.38Å; L505-L599 HydrophobicContact CD2-CG 4.1Å; L505-L599 HydrophobicContact CG-CD1 4.5Å
506	E	81.8	Confident	72.2	Confident	81 Å²	81	52.9 Å²	52.9	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-45.8	173.9	-80.5	179.2	156.2	0	0	111.3	A502 K503 I504 S509 T510 S527 K531	A502-E506 PolarHBondContact O-N 2.84Å; K503-E506 PolarHBondContact O-N 2.81Å; I504-E506 VanDerWaalsContact C-N 3.34Å; I504-E506 PolarHBondContact O-N 2.84Å; E506-S509 WeakPolarHBondContact O-CB 3.26Å; E506-S509 PolarHBondContact O-N 3.3Å; E506-S509 PolarHBondContact O-OG 2.9Å; E506-T510 PolarHBondContact O-N 2.69Å; E506-S527 WeakPolarHBondContact CG-OG 3.46Å; E506-K531 IonicContact OE1-NZ 2.68Å; E506-K531 PolarHBondContact OE1-NZ 3.37Å; E506-K531 IonicContact OE2-NZ 3.43Å; E506-K531 PolarHBondContact OE2-NZ 2.85Å
507	W	77.2	Confident	71.7	Confident	125 Å²	125	50.8 Å²	50.8	47%	0.473	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-48.2	176.5	178.1	70.5	0	0	0	111.9	K503 I504 S509 T510 E511 I595	K503-W507 PolarHBondContact O-N 3.33Å; I504-W507 PolarHBondContact O-N 3.13Å; W507-S509 PolarHBondContact O-N 2.88Å; W507-T510 PolarHBondContact O-N 3.07Å; W507-T510 PolarHBondContact O-OG1 3.23Å; W507-E511 HydrophobicContact CZ2-CG 4.17Å; W507-I595 HydrophobicContact CZ3-CD1 4.28Å; W507-I595 HydrophobicContact CZ3-CG1 4.28Å
508	I	71.5	Confident	71.4	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-36.6	177.6	-64.2	160.7	0	0	0	110.7	I504 T510 E511 V514 A515 L523 I595 L599	I504-I508 HydrophobicContact CG2-CD1 3.57Å; I504-I508 HydrophobicContact CG2-CG1 4.34Å; I504-I508 WeakPolarHBondContact O-CD1 3.32Å; I504-I508 VanDerWaalsContact O-CG1 3.26Å; I504-I508 WeakPolarHBondContact O-CG1 3.02Å; I504-I508 PolarHBondContact O-N 3.14Å; I508-T510 PolarHBondContact O-N 3.14Å; I508-T510 VanDerWaalsContact O-N 3.15Å; I508-E511 PolarHBondContact O-N 3Å; I508-E511 VanDerWaalsContact O-N 3.11Å; I508-V514 HydrophobicContact CG2-CB 4.37Å; I508-V514 HydrophobicContact CG2-CG1 3.73Å; I508-A515 WeakPolarHBondContact O-CB 3.44Å; I508-L523 HydrophobicContact CG2-CD1 3.83Å; I508-I595 HydrophobicContact CD1-CG2 3.55Å; I508-I595 HydrophobicContact CG1-CG2 4.03Å; I508-I595 HydrophobicContact CG2-CG2 4.38Å; I508-L599 HydrophobicContact CD1-CD1 3.43Å; I508-L599 VanDerWaalsContact CD1-CD1 3.43Å
509	S	77.1	Confident	71.3	Confident	8 Å²	8	53 Å²	53	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-15.6	177.4	82.8	0	0	0	0	114.4	L505 E506 W507	L505-S509 WeakPolarHBondContact O-CB 3.43Å; L505-S509 PolarHBondContact O-N 3.45Å; E506-S509 WeakPolarHBondContact O-CB 3.26Å; E506-S509 PolarHBondContact O-N 3.3Å; E506-S509 PolarHBondContact O-OG 2.9Å; W507-S509 PolarHBondContact O-N 2.88Å
510	T	76.4	Confident	71.5	Confident	96 Å²	96	53.3 Å²	53.3	59%	0.589	28%	0.275	S	S	*	.	H	α-helix	trans	-92.1	-14.3	175.4	64.9	0	0	0	0	113.8	E506 W507 I508 D512	E506-T510 PolarHBondContact O-N 2.69Å; W507-T510 PolarHBondContact O-N 3.07Å; W507-T510 PolarHBondContact O-OG1 3.23Å; I508-T510 PolarHBondContact O-N 3.14Å; I508-T510 VanDerWaalsContact O-N 3.15Å; T510-D512 PolarHBondContact O-N 3Å
511	E	69.8	Low	71.9	Confident	51 Å²	51	54.9 Å²	54.9	24%	0.238	29%	0.285	C	S	.	.			trans	-91.2	96.1	-179.5	-77.3	-89.8	-171	0	0	110.1	W507 I508 C513 V514 A515 K591	W507-E511 HydrophobicContact CZ2-CG 4.17Å; I508-E511 PolarHBondContact O-N 3Å; I508-E511 VanDerWaalsContact O-N 3.11Å; E511-C513 VanDerWaalsContact C-N 3.28Å; E511-C513 PolarHBondContact O-N 3.27Å; E511-V514 PolarHBondContact O-N 3.01Å; E511-A515 VanDerWaalsContact O-CB 3.31Å; E511-A515 WeakPolarHBondContact O-CB 3.33Å; E511-A515 PolarHBondContact O-N 3.25Å; E511-K591 IonicContact OE1-NZ 3.49Å; E511-K591 PolarHBondContact OE1-NZ 2.91Å; E511-K591 IonicContact OE2-NZ 3.92Å; E511-K591 PolarHBondContact OE2-NZ 3.09Å
512	D	66.1	Low	72.1	Confident	102 Å²	102	55.8 Å²	55.8	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-50.2	-44.2	-173	-74.4	-29.1	0	0	0	113.6	T510 V514 A515 D516 K520	T510-D512 PolarHBondContact O-N 3Å; D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 3.38Å; D512-A515 PolarHBondContact O-N 3.3Å; D512-D516 WeakPolarHBondContact O-CB 3.48Å; D512-D516 VanDerWaalsContact O-CG 3.22Å; D512-D516 PolarHBondContact O-N 3.32Å; D512-K520 VanDerWaalsContact OD1-CE 3.26Å; D512-K520 WeakPolarHBondContact OD1-CE 3.33Å; D512-K520 IonicContact OD1-NZ 3.95Å; D512-K520 PolarHBondContact OD1-NZ 3.41Å
513	C	59.9	Low	72	Confident	82 Å²	82	55.7 Å²	55.7	55%	0.554	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-31.1	-176.9	61.2	0	0	0	0	113.7	E511	E511-C513 VanDerWaalsContact C-N 3.28Å; E511-C513 PolarHBondContact O-N 3.27Å
514	V	58.3	Low	72.1	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-91.7	-49.2	177.5	-177.5	0	0	0	0	108.9	I508 E511 D512 D516 S517 Y518 I595	I508-V514 HydrophobicContact CG2-CB 4.37Å; I508-V514 HydrophobicContact CG2-CG1 3.73Å; E511-V514 PolarHBondContact O-N 3.01Å; D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 3.38Å; V514-D516 VanDerWaalsContact C-N 3.26Å; V514-D516 PolarHBondContact O-N 2.75Å; V514-S517 WeakPolarHBondContact O-CA 3.41Å; V514-S517 VanDerWaalsContact O-CB 3.24Å; V514-S517 WeakPolarHBondContact O-CB 3.37Å; V514-S517 PolarHBondContact O-N 3.06Å; V514-Y518 HydrophobicContact CG1-CD2 3.67Å; V514-Y518 HydrophobicContact CG1-CE2 3.69Å; V514-Y518 VanDerWaalsContact O-CD2 3.24Å; V514-Y518 WeakPolarHBondContact O-CD2 3.31Å; V514-Y518 PolarHBondContact O-N 3.02Å; V514-I595 HydrophobicContact CG1-CD1 4.22Å; V514-I595 HydrophobicContact CG1-CG2 4.36Å; V514-I595 HydrophobicContact CG2-CD1 3.81Å
515	A	58	Low	72.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-27	-170.1	0	0	0	0	0	113.8	I508 E511 D512 S517 Y518 N519 K520 L523	I508-A515 WeakPolarHBondContact O-CB 3.44Å; E511-A515 VanDerWaalsContact O-CB 3.31Å; E511-A515 WeakPolarHBondContact O-CB 3.33Å; E511-A515 PolarHBondContact O-N 3.25Å; D512-A515 PolarHBondContact O-N 3.3Å; A515-S517 PolarHBondContact O-N 3.23Å; A515-Y518 PolarHBondContact O-N 3.1Å; A515-N519 PolarHBondContact O-N 3.43Å; A515-N519 VanDerWaalsContact O-N 3.07Å; A515-K520 HydrophobicContact CB-CD 4.14Å; A515-K520 HydrophobicContact CB-CG 3.32Å; A515-K520 PolarHBondContact O-N 3.19Å; A515-L523 HydrophobicContact CB-CD1 4.34Å
516	D	62.9	Low	72.9	Confident	114 Å²	114	57.7 Å²	57.7	61%	0.61	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-26.6	171.3	-70.6	-8.3	0	0	0	112.1	D512 V514 K520	D512-D516 WeakPolarHBondContact O-CB 3.48Å; D512-D516 VanDerWaalsContact O-CG 3.22Å; D512-D516 PolarHBondContact O-N 3.32Å; V514-D516 VanDerWaalsContact C-N 3.26Å; V514-D516 PolarHBondContact O-N 2.75Å; D516-K520 WeakPolarHBondContact OD1-CE 3.43Å; D516-K520 IonicContact OD1-NZ 2.75Å; D516-K520 PolarHBondContact OD1-NZ 2.74Å
517	S	59.5	Low	73.1	Confident	71 Å²	71	53.8 Å²	53.8	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-78.7	-26.8	174.5	-57.1	0	0	0	0	113.6	V514 A515	V514-S517 WeakPolarHBondContact O-CA 3.41Å; V514-S517 VanDerWaalsContact O-CB 3.24Å; V514-S517 WeakPolarHBondContact O-CB 3.37Å; V514-S517 PolarHBondContact O-N 3.06Å; A515-S517 PolarHBondContact O-N 3.23Å
518	Y	62.4	Low	73.5	Confident	8 Å²	8	56.3 Å²	56.3	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-113.8	7.6	-171.5	-66.4	-89.4	0	0	0	114.6	V514 A515 L564 M596 L599 F600	V514-Y518 HydrophobicContact CG1-CD2 3.67Å; V514-Y518 HydrophobicContact CG1-CE2 3.69Å; V514-Y518 VanDerWaalsContact O-CD2 3.24Å; V514-Y518 WeakPolarHBondContact O-CD2 3.31Å; V514-Y518 PolarHBondContact O-N 3.02Å; A515-Y518 PolarHBondContact O-N 3.1Å; Y518-L564 HydrophobicContact CD1-CD2 3.83Å; Y518-L564 HydrophobicContact CD1-CG 4.05Å; Y518-L564 HydrophobicContact CE1-CD1 3.89Å; Y518-L564 HydrophobicContact CE1-CD2 3.18Å; Y518-L564 HydrophobicContact CE1-CG 3.67Å; Y518-M596 HydrophobicContact CE1-SD 3.95Å; Y518-M596 PolarHBondContact OH-SD 3.49Å; Y518-L599 HydrophobicContact CD1-CD2 4.47Å; Y518-F600 HydrophobicContact CE1-CE2 4.42Å
519	N	73.3	Confident	74.1	Confident	84 Å²	84	56.9 Å²	56.9	45%	0.449	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	97	-172.2	-173	-22.7	0	0	0	112.4	A515 L521 L522 L523 T563	A515-N519 PolarHBondContact O-N 3.43Å; A515-N519 VanDerWaalsContact O-N 3.07Å; N519-L521 PolarHBondContact O-N 3.11Å; N519-L521 WeakPolarHBondContact OD1-CB 3.45Å; N519-L521 PolarHBondContact OD1-N 3.32Å; N519-L521 VanDerWaalsContact OD1-N 3.13Å; N519-L522 HydrophobicContact CB-CB 4.14Å; N519-L522 WeakPolarHBondContact O-CB 3.46Å; N519-L522 PolarHBondContact O-N 3.48Å; N519-L523 PolarHBondContact O-N 2.68Å; N519-T563 HydrophobicContact CB-CG2 4.34Å
520	K	78.3	Confident	74.3	Confident	63 Å²	63	56.5 Å²	56.5	27%	0.274	29%	0.294	S	S	.	.	H	α-helix	trans	-40.8	-42	175.6	-78.7	167.5	176	156.6	0	114.6	D512 A515 D516 K524	D512-K520 VanDerWaalsContact OD1-CE 3.26Å; D512-K520 WeakPolarHBondContact OD1-CE 3.33Å; D512-K520 IonicContact OD1-NZ 3.95Å; D512-K520 PolarHBondContact OD1-NZ 3.41Å; A515-K520 HydrophobicContact CB-CD 4.14Å; A515-K520 HydrophobicContact CB-CG 3.32Å; A515-K520 PolarHBondContact O-N 3.19Å; D516-K520 WeakPolarHBondContact OD1-CE 3.43Å; D516-K520 IonicContact OD1-NZ 2.75Å; D516-K520 PolarHBondContact OD1-NZ 2.74Å; K520-K524 WeakPolarHBondContact O-CG 3.08Å; K520-K524 PolarHBondContact O-N 3.17Å
521	L	82.7	Confident	74.6	Confident	111 Å²	111	56.4 Å²	56.4	58%	0.581	29%	0.285	S	S	*	.	H	α-helix	trans	-68.3	-37.9	-177.7	-176.2	63.2	0	0	0	111.6	N519 K524 N525	N519-L521 PolarHBondContact O-N 3.11Å; N519-L521 WeakPolarHBondContact OD1-CB 3.45Å; N519-L521 PolarHBondContact OD1-N 3.32Å; N519-L521 VanDerWaalsContact OD1-N 3.13Å; L521-K524 PolarHBondContact O-N 3.25Å; L521-N525 WeakPolarHBondContact O-CB 3.19Å; L521-N525 PolarHBondContact O-N 3.19Å; L521-N525 PolarHBondContact O-ND2 2.69Å
522	L	80.7	Confident	75.2	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-41.4	-179.5	-175.3	63	0	0	0	112	N519 N525 F526 L560 T563	N519-L522 HydrophobicContact CB-CB 4.14Å; N519-L522 WeakPolarHBondContact O-CB 3.46Å; N519-L522 PolarHBondContact O-N 3.48Å; L522-N525 PolarHBondContact O-N 3.43Å; L522-F526 WeakPolarHBondContact O-CB 2.92Å; L522-F526 PolarHBondContact O-N 2.61Å; L522-L560 HydrophobicContact CD2-CB 4.26Å; L522-L560 HydrophobicContact CD2-CD2 3.86Å; L522-L560 HydrophobicContact CD2-CG 3.68Å; L522-L560 HydrophobicContact CG-CD2 4.17Å; L522-L560 HydrophobicContact CG-CG 3.88Å; L522-T563 WeakPolarHBondContact CD2-OG1 3.49Å
523	L	80.3	Confident	75.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-44	174.6	-67.7	171.5	0	0	0	112.1	L505 I508 A515 N519 F526 S527 L560 L599	L505-L523 HydrophobicContact CD2-CD2 3.7Å; I508-L523 HydrophobicContact CG2-CD1 3.83Å; A515-L523 HydrophobicContact CB-CD1 4.34Å; N519-L523 PolarHBondContact O-N 2.68Å; L523-F526 PolarHBondContact O-N 3Å; L523-S527 PolarHBondContact O-N 3.3Å; L523-L560 HydrophobicContact CD2-CD1 4.41Å; L523-L560 HydrophobicContact CD2-CD2 3.73Å; L523-L560 HydrophobicContact CG-CD2 4.38Å; L523-L599 HydrophobicContact CD2-CD1 3.77Å
524	K	84.2	Confident	76.5	Confident	113 Å²	113	52 Å²	52	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-42	176.4	-72.6	-178.3	179.3	-177.8	0	112	K520 L521 F526 S527 R528	K520-K524 WeakPolarHBondContact O-CG 3.08Å; K520-K524 PolarHBondContact O-N 3.17Å; L521-K524 PolarHBondContact O-N 3.25Å; K524-F526 VanDerWaalsContact C-N 3.3Å; K524-F526 PolarHBondContact O-N 2.91Å; K524-S527 PolarHBondContact O-N 3.28Å; K524-R528 WeakPolarHBondContact O-CB 3.43Å; K524-R528 PolarHBondContact O-N 3.31Å
525	N	84.9	Confident	77.3	Confident	78 Å²	78	54.1 Å²	54.1	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-39.3	175	-73.2	-14.3	0	0	0	111.5	L521 L522 R528 S529	L521-N525 WeakPolarHBondContact O-CB 3.19Å; L521-N525 PolarHBondContact O-N 3.19Å; L521-N525 PolarHBondContact O-ND2 2.69Å; L522-N525 PolarHBondContact O-N 3.43Å; N525-R528 PolarHBondContact O-N 3.46Å; N525-S529 WeakPolarHBondContact O-CB 3.37Å; N525-S529 PolarHBondContact O-N 2.91Å
526	F	85.1	Confident	77.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-47.8	176.9	-170	-161.8	0	0	0	111.7	L505 L522 L523 K524 R528 S529 L530 P553 C556 L557 L560 P603 F607	L505-F526 HydrophobicContact CD1-CB 4.15Å; L505-F526 HydrophobicContact CD1-CD1 3.34Å; L505-F526 HydrophobicContact CD1-CD2 4.46Å; L505-F526 HydrophobicContact CD1-CE1 3.82Å; L505-F526 HydrophobicContact CD1-CG 3.72Å; L505-F526 HydrophobicContact CD2-CD1 3.67Å; L505-F526 HydrophobicContact CD2-CE1 4.29Å; L505-F526 HydrophobicContact CG-CD1 4.17Å; L522-F526 WeakPolarHBondContact O-CB 2.92Å; L522-F526 PolarHBondContact O-N 2.61Å; L523-F526 PolarHBondContact O-N 3Å; K524-F526 VanDerWaalsContact C-N 3.3Å; K524-F526 PolarHBondContact O-N 2.91Å; F526-R528 VanDerWaalsContact C-N 3.31Å; F526-R528 PolarHBondContact O-N 3.13Å; F526-S529 WeakPolarHBondContact O-CB 3.46Å; F526-S529 PolarHBondContact O-N 3.36Å; F526-S529 VanDerWaalsContact O-N 3.13Å; F526-L530 HydrophobicContact CD2-CD1 4.4Å; F526-L530 HydrophobicContact CD2-CD2 4.47Å; F526-L530 HydrophobicContact CD2-CG 4.09Å; F526-L530 HydrophobicContact CE2-CD1 4.29Å; F526-L530 HydrophobicContact CE2-CD2 3.93Å; F526-L530 HydrophobicContact CE2-CG 4.02Å; F526-L530 WeakPolarHBondContact O-CG 3.36Å; F526-L530 PolarHBondContact O-N 3.48Å; F526-P553 HydrophobicContact CD2-CB 4.49Å; F526-P553 HydrophobicContact CE2-CB 3.87Å; F526-P553 WeakPolarHBondContact CE2-O 3.31Å; F526-C556 HydrophobicContact CB-CB 3.82Å; F526-C556 HydrophobicContact CD2-CB 3.43Å; F526-C556 VanDerWaalsContact CD2-CB 3.43Å; F526-C556 HydrophobicContact CE2-CB 4.14Å; F526-C556 HydrophobicContact CG-CB 3.76Å; F526-L557 HydrophobicContact CE1-CD1 4.32Å; F526-L557 HydrophobicContact CZ-CB 4.21Å; F526-L557 HydrophobicContact CZ-CD1 4.31Å; F526-L560 HydrophobicContact CB-CD1 4.21Å; F526-L560 HydrophobicContact CD1-CD1 3.28Å; F526-L560 HydrophobicContact CE1-CD1 3.85Å; F526-L560 HydrophobicContact CG-CD1 4.03Å; F526-P603 HydrophobicContact CE1-CB 4.4Å; F526-P603 HydrophobicContact CE1-CG 4.31Å; F526-P603 HydrophobicContact CZ-CB 3.87Å; F526-P603 HydrophobicContact CZ-CG 4.26Å; F526-F607 HydrophobicContact CE2-CE2 4.36Å; F526-F607 HydrophobicContact CZ-CE2 4.4Å
527	S	86.3	Confident	78.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-43.7	175	-177.6	0	0	0	0	112.2	A502 E506 L523 K524 S529 L530 K531	A502-S527 PolarHBondContact O-OG 3.16Å; E506-S527 WeakPolarHBondContact CG-OG 3.46Å; L523-S527 PolarHBondContact O-N 3.3Å; K524-S527 PolarHBondContact O-N 3.28Å; S527-S529 VanDerWaalsContact C-N 3.35Å; S527-S529 PolarHBondContact O-N 2.95Å; S527-L530 PolarHBondContact O-N 3.32Å; S527-K531 WeakPolarHBondContact O-CG 3.06Å; S527-K531 PolarHBondContact O-N 2.7Å
528	R	86.4	Confident	78.3	Confident	177 Å²	177	53 Å²	53	67%	0.668	26%	0.26	S	S	*	.	H	α-helix	trans	-62	-42.1	175.8	-168.4	175.5	-176.3	166.4	1.4	111.8	K524 N525 F526 L530 K531 I532	K524-R528 WeakPolarHBondContact O-CB 3.43Å; K524-R528 PolarHBondContact O-N 3.31Å; N525-R528 PolarHBondContact O-N 3.46Å; F526-R528 VanDerWaalsContact C-N 3.31Å; F526-R528 PolarHBondContact O-N 3.13Å; R528-L530 PolarHBondContact O-N 2.93Å; R528-K531 PolarHBondContact O-N 3.31Å; R528-I532 HydrophobicContact CG-CD1 4.1Å; R528-I532 VanDerWaalsContact O-CG1 3.32Å; R528-I532 WeakPolarHBondContact O-CG1 3.21Å; R528-I532 PolarHBondContact O-N 3.43Å
529	S	83.6	Confident	78.3	Confident	13 Å²	13	56.5 Å²	56.5	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-41	176.1	-165.8	0	0	0	0	111.8	N525 F526 S527 I532 Y533 P553	N525-S529 WeakPolarHBondContact O-CB 3.37Å; N525-S529 PolarHBondContact O-N 2.91Å; F526-S529 WeakPolarHBondContact O-CB 3.46Å; F526-S529 PolarHBondContact O-N 3.36Å; F526-S529 VanDerWaalsContact O-N 3.13Å; S527-S529 VanDerWaalsContact C-N 3.35Å; S527-S529 PolarHBondContact O-N 2.95Å; S529-I532 PolarHBondContact O-N 3.04Å; S529-Y533 VanDerWaalsContact O-CB 3.24Å; S529-Y533 WeakPolarHBondContact O-CB 2.95Å; S529-Y533 PolarHBondContact O-N 3.38Å; S529-P553 WeakPolarHBondContact OG-CD 3.25Å
530	L	81.3	Confident	77.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-41	175.3	-67.4	174.8	0	0	0	112.5	L498 L501 A502 L505 F526 S527 R528 Y533 R534 P553 F607	L498-L530 HydrophobicContact CD2-CD2 3.81Å; L501-L530 HydrophobicContact CB-CD1 4.08Å; L501-L530 HydrophobicContact CD2-CD1 3.61Å; L501-L530 HydrophobicContact CD2-CD2 4.29Å; L501-L530 HydrophobicContact CG-CD1 3.63Å; A502-L530 HydrophobicContact CB-CB 4.16Å; A502-L530 HydrophobicContact CB-CD1 4.27Å; L505-L530 HydrophobicContact CD1-CD1 3.45Å; L505-L530 VanDerWaalsContact CD1-CD1 3.45Å; F526-L530 HydrophobicContact CD2-CD1 4.4Å; F526-L530 HydrophobicContact CD2-CD2 4.47Å; F526-L530 HydrophobicContact CD2-CG 4.09Å; F526-L530 HydrophobicContact CE2-CD1 4.29Å; F526-L530 HydrophobicContact CE2-CD2 3.93Å; F526-L530 HydrophobicContact CE2-CG 4.02Å; F526-L530 WeakPolarHBondContact O-CG 3.36Å; F526-L530 PolarHBondContact O-N 3.48Å; S527-L530 PolarHBondContact O-N 3.32Å; R528-L530 PolarHBondContact O-N 2.93Å; L530-Y533 PolarHBondContact O-N 3.43Å; L530-R534 VanDerWaalsContact O-CB 3.26Å; L530-R534 WeakPolarHBondContact O-CB 3.4Å; L530-R534 PolarHBondContact O-N 3.27Å; L530-P553 HydrophobicContact CD2-CB 3.99Å; L530-P553 HydrophobicContact CD2-CG 4.28Å; L530-F607 HydrophobicContact CD2-CE2 3.66Å; L530-F607 HydrophobicContact CD2-CZ 3.32Å
531	K	83.6	Confident	75.9	Confident	94 Å²	94	60.4 Å²	60.4	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-43.8	177.4	-70.3	175.6	-176.9	-175.8	0	111.5	A502 E506 S527 R528 R534 A535	A502-K531 HydrophobicContact CB-CG 4.17Å; E506-K531 IonicContact OE1-NZ 2.68Å; E506-K531 PolarHBondContact OE1-NZ 3.37Å; E506-K531 IonicContact OE2-NZ 3.43Å; E506-K531 PolarHBondContact OE2-NZ 2.85Å; S527-K531 WeakPolarHBondContact O-CG 3.06Å; S527-K531 PolarHBondContact O-N 2.7Å; R528-K531 PolarHBondContact O-N 3.31Å; K531-R534 PolarHBondContact O-N 2.95Å; K531-A535 WeakPolarHBondContact O-CB 3.43Å; K531-A535 PolarHBondContact O-N 3.41Å
532	I	81.8	Confident	74.6	Confident	70 Å²	70	57.3 Å²	57.3	36%	0.359	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-47	175.9	-64.5	165.5	0	0	0	110.3	R528 S529 R534 A535 N536 A551	R528-I532 HydrophobicContact CG-CD1 4.1Å; R528-I532 VanDerWaalsContact O-CG1 3.32Å; R528-I532 WeakPolarHBondContact O-CG1 3.21Å; R528-I532 PolarHBondContact O-N 3.43Å; S529-I532 PolarHBondContact O-N 3.04Å; I532-R534 VanDerWaalsContact C-N 3.32Å; I532-R534 PolarHBondContact O-N 3.4Å; I532-A535 PolarHBondContact O-N 3.31Å; I532-N536 WeakPolarHBondContact O-CB 3.26Å; I532-N536 PolarHBondContact O-N 2.98Å; I532-N536 PolarHBondContact O-ND2 3.34Å; I532-A551 HydrophobicContact CB-CB 4.07Å; I532-A551 HydrophobicContact CG2-CB 3.84Å
533	Y	76.7	Confident	73.4	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-56.1	-47.3	177.2	-172.9	-93	0	0	0	111.4	L491 L498 S529 L530 N536 A537 L547 P553 F607 M610	L491-Y533 HydrophobicContact CD2-CE1 3.81Å; L498-Y533 HydrophobicContact CD1-CD1 4.04Å; L498-Y533 HydrophobicContact CD1-CE1 4.36Å; L498-Y533 HydrophobicContact CD2-CD1 4.35Å; S529-Y533 VanDerWaalsContact O-CB 3.24Å; S529-Y533 WeakPolarHBondContact O-CB 2.95Å; S529-Y533 PolarHBondContact O-N 3.38Å; L530-Y533 PolarHBondContact O-N 3.43Å; Y533-N536 PolarHBondContact O-N 3.47Å; Y533-A537 WeakPolarHBondContact O-CB 3.13Å; Y533-A537 PolarHBondContact O-N 3.49Å; Y533-L547 HydrophobicContact CD2-CD1 4.24Å; Y533-L547 HydrophobicContact CD2-CG 4.39Å; Y533-L547 HydrophobicContact CE2-CD1 4.1Å; Y533-L547 HydrophobicContact CE2-CD2 4.42Å; Y533-L547 HydrophobicContact CE2-CG 3.76Å; Y533-P553 HydrophobicContact CD2-CG 3.91Å; Y533-P553 HydrophobicContact CG-CG 3.9Å; Y533-F607 HydrophobicContact CD1-CE1 4.44Å; Y533-F607 HydrophobicContact CE1-CE1 4.3Å; Y533-M610 HydrophobicContact CE1-SD 4.33Å; Y533-M610 WeakPolarHBondContact OH-CE 3.41Å; Y533-M610 PolarHBondContact OH-SD 3.47Å
534	R	76.9	Confident	72.2	Confident	67 Å²	67	59.5 Å²	59.5	25%	0.253	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-45.6	176.6	-176.5	-179.5	-179.5	-126	-12.7	112.6	N495 L498 L530 K531 I532 N536 A537 M538	N495-R534 PolarHBondContact O-NE 2.96Å; N495-R534 PolarHBondContact OD1-NE 3.22Å; N495-R534 PolarHBondContact OD1-NH2 3.02Å; L498-R534 HydrophobicContact CD1-CB 4.28Å; L530-R534 VanDerWaalsContact O-CB 3.26Å; L530-R534 WeakPolarHBondContact O-CB 3.4Å; L530-R534 PolarHBondContact O-N 3.27Å; K531-R534 PolarHBondContact O-N 2.95Å; I532-R534 VanDerWaalsContact C-N 3.32Å; I532-R534 PolarHBondContact O-N 3.4Å; R534-N536 VanDerWaalsContact C-N 3.25Å; R534-N536 PolarHBondContact O-N 2.93Å; R534-A537 PolarHBondContact O-N 3.47Å; R534-M538 HydrophobicContact CG-CE 4.14Å; R534-M538 WeakPolarHBondContact O-CG 3.38Å; R534-M538 PolarHBondContact O-N 2.91Å
535	A	75.5	Confident	70.9	Confident	49 Å²	49	61.9 Å²	61.9	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-35.3	178	0	0	0	0	0	112	K531 I532	K531-A535 WeakPolarHBondContact O-CB 3.43Å; K531-A535 PolarHBondContact O-N 3.41Å; I532-A535 PolarHBondContact O-N 3.31Å
536	N	69.1	Low	69.9	Low	18 Å²	18	60.1 Å²	60.1	10%	0.096	29%	0.294	C	S	.	.	H	α-helix	trans	-76.3	-36.4	176.9	-75	-20.9	0	0	0	112.9	I532 Y533 R534 M538 K539 M542 L547 S550	I532-N536 WeakPolarHBondContact O-CB 3.26Å; I532-N536 PolarHBondContact O-N 2.98Å; I532-N536 PolarHBondContact O-ND2 3.34Å; Y533-N536 PolarHBondContact O-N 3.47Å; R534-N536 VanDerWaalsContact C-N 3.25Å; R534-N536 PolarHBondContact O-N 2.93Å; N536-M538 PolarHBondContact O-N 2.98Å; N536-K539 WeakPolarHBondContact O-CB 3.2Å; N536-K539 PolarHBondContact O-N 3.43Å; N536-K539 PolarHBondContact OD1-NZ 3.33Å; N536-M542 HydrophobicContact CB-CE 3.6Å; N536-M542 HydrophobicContact CB-SD 3.72Å; N536-L547 HydrophobicContact CB-CD1 3.62Å; N536-S550 WeakPolarHBondContact ND2-CB 3.21Å; N536-S550 PolarHBondContact ND2-OG 3.03Å
537	A	66.6	Low	68.8	Low	33 Å²	33	60.5 Å²	60.5	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-26.8	175.3	0	0	0	0	0	112.7	L491 Y533 R534 K539 L547	L491-A537 HydrophobicContact CD2-CB 3.83Å; Y533-A537 WeakPolarHBondContact O-CB 3.13Å; Y533-A537 PolarHBondContact O-N 3.49Å; R534-A537 PolarHBondContact O-N 3.47Å; A537-K539 VanDerWaalsContact C-N 3.32Å; A537-L547 HydrophobicContact CB-CD1 4.01Å; A537-L547 HydrophobicContact CB-CD2 4.01Å; A537-L547 VanDerWaalsContact N-CD1 3.27Å
538	M	64.7	Low	67.5	Low	110 Å²	110	61 Å²	61	54%	0.542	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.7	175.8	-63.9	-151.5	-152.4	0	0	114.2	N495 R534 N536	N495-M538 WeakPolarHBondContact ND2-CE 3.38Å; N495-M538 WeakPolarHBondContact OD1-CE 3.15Å; R534-M538 HydrophobicContact CG-CE 4.14Å; R534-M538 WeakPolarHBondContact O-CG 3.38Å; R534-M538 PolarHBondContact O-N 2.91Å; N536-M538 PolarHBondContact O-N 2.98Å
539	K	62.1	Low	66.4	Low	82 Å²	82	58.9 Å²	58.9	36%	0.357	30%	0.296	S	S	.	.			trans	-87.2	118.7	177.6	-67.6	170.2	178.7	170.8	0	109.6	N536 A537 Y541 M542	N536-K539 WeakPolarHBondContact O-CB 3.2Å; N536-K539 PolarHBondContact O-N 3.43Å; N536-K539 PolarHBondContact OD1-NZ 3.33Å; A537-K539 VanDerWaalsContact C-N 3.32Å; K539-Y541 HydrophobicContact CB-CD1 4.35Å; K539-Y541 HydrophobicContact CB-CE1 3.97Å; K539-Y541 HydrophobicContact CD-CE1 4.47Å; K539-Y541 HydrophobicContact CG-CE1 4.29Å; K539-Y541 PolarHBondContact O-N 2.89Å; K539-Y541 VanDerWaalsContact O-N 3.16Å; K539-M542 HydrophobicContact CD-CE 3.91Å; K539-M542 PolarHBondContact O-N 3.23Å
540	S	50.8	Low	65.5	Low	72 Å²	72	60.4 Å²	60.4	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.2	-176.9	51.4	0	0	0	0	114.8
541	Y	50	Low	64.5	Low	156 Å²	156	60.9 Å²	60.9	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.1	-171.8	57.2	-95	0	0	0	115.2	K470 K539	K470-Y541 PolarHBondContact NZ-O 2.86Å; K539-Y541 HydrophobicContact CB-CD1 4.35Å; K539-Y541 HydrophobicContact CB-CE1 3.97Å; K539-Y541 HydrophobicContact CD-CE1 4.47Å; K539-Y541 HydrophobicContact CG-CE1 4.29Å; K539-Y541 PolarHBondContact O-N 2.89Å; K539-Y541 VanDerWaalsContact O-N 3.16Å
542	M	55.4	Low	63.7	Low	47 Å²	47	59.6 Å²	59.6	23%	0.232	31%	0.309	C	S	.	.			trans	-80.1	129.9	-173.7	-163.9	173.5	-63.9	0	0	111	N536 K539 A546 L547	N536-M542 HydrophobicContact CB-CE 3.6Å; N536-M542 HydrophobicContact CB-SD 3.72Å; K539-M542 HydrophobicContact CD-CE 3.91Å; K539-M542 PolarHBondContact O-N 3.23Å; M542-A546 HydrophobicContact CG-CB 3.67Å; M542-A546 HydrophobicContact SD-CB 4.4Å; M542-L547 HydrophobicContact CG-CB 4.33Å; M542-L547 VanDerWaalsContact SD-CA 3.51Å; M542-L547 HydrophobicContact SD-CB 3.97Å; M542-L547 HydrophobicContact SD-CD1 4.07Å
543	S	55.8	Low	63	Low	36 Å²	36	56.3 Å²	56.3	25%	0.252	29%	0.292	S	S	.	.			trans	-68.8	150.2	172.7	67	0	0	0	0	110.2	R545 A546 L547	S543-R545 PolarHBondContact O-N 3.41Å; S543-A546 CarbonylContact O-C 3.57Å; S543-A546 WeakPolarHBondContact O-CA 3.42Å; S543-A546 PolarHBondContact O-N 3.45Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.38Å; S543-A546 PolarHBondContact OG-N 3.34Å; S543-L547 PolarHBondContact O-N 2.95Å
544	L	55.9	Low	62.6	Low	29 Å²	29	56.3 Å²	56.3	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-54	-38.8	176.4	-173	69.1	0	0	0	111.1	A487 L491 L547 L548 M610 I613 L617	A487-L544 HydrophobicContact CB-CD1 3.81Å; A487-L544 HydrophobicContact CB-CD2 3.66Å; A487-L544 HydrophobicContact CB-CG 4.41Å; L491-L544 HydrophobicContact CD1-CD1 3.96Å; L544-L547 WeakPolarHBondContact O-CB 3.37Å; L544-L547 PolarHBondContact O-N 3.43Å; L544-L548 HydrophobicContact CG-CD1 4.1Å; L544-L548 VanDerWaalsContact O-CD1 3.24Å; L544-L548 WeakPolarHBondContact O-CD1 3.44Å; L544-L548 VanDerWaalsContact O-CG 3.24Å; L544-L548 WeakPolarHBondContact O-CG 3.45Å; L544-L548 PolarHBondContact O-N 3Å; L544-M610 HydrophobicContact CD1-CE 3.52Å; L544-I613 HydrophobicContact CD2-CG2 4.37Å; L544-L617 HydrophobicContact CD2-CD1 3.43Å; L544-L617 VanDerWaalsContact CD2-CD1 3.43Å
545	R	57.4	Low	62.5	Low	164 Å²	164	55.2 Å²	55.2	62%	0.619	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-48.2	173.6	-170.8	174	-173.4	169.2	4	112.4	S543 L547 L548 H549	S543-R545 PolarHBondContact O-N 3.41Å; R545-L547 VanDerWaalsContact C-N 3.3Å; R545-L547 PolarHBondContact O-N 3.25Å; R545-L548 PolarHBondContact O-N 3.29Å; R545-H549 PolarHBondContact O-CD2 3.4Å; R545-H549 PolarHBondContact O-N 2.9Å; R545-H549 VanDerWaalsContact O-N 3.09Å
546	A	62.8	Low	62.5	Low	41 Å²	41	53.9 Å²	53.9	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-36.9	176.3	0	0	0	0	0	111.7	M542 S543 H549 S550	M542-A546 HydrophobicContact CG-CB 3.67Å; M542-A546 HydrophobicContact SD-CB 4.4Å; S543-A546 CarbonylContact O-C 3.57Å; S543-A546 WeakPolarHBondContact O-CA 3.42Å; S543-A546 PolarHBondContact O-N 3.45Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.38Å; S543-A546 PolarHBondContact OG-N 3.34Å; A546-H549 CarbonylContact O-C 3.37Å; A546-H549 PolarHBondContact O-N 2.67Å; A546-S550 WeakPolarHBondContact O-CA 3.31Å; A546-S550 WeakPolarHBondContact O-CB 3.45Å; A546-S550 PolarHBondContact O-N 3.26Å
547	L	62.5	Low	62.6	Low	7 Å²	7	53 Å²	53	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-48.6	176.6	178.9	61.5	0	0	0	111.7	L491 Y533 N536 A537 M542 S543 L544 R545 H549 S550	L491-L547 HydrophobicContact CD1-CD2 3.68Å; L491-L547 HydrophobicContact CD2-CD2 3.56Å; L491-L547 HydrophobicContact CG-CD2 4.28Å; Y533-L547 HydrophobicContact CD2-CD1 4.24Å; Y533-L547 HydrophobicContact CD2-CG 4.39Å; Y533-L547 HydrophobicContact CE2-CD1 4.1Å; Y533-L547 HydrophobicContact CE2-CD2 4.42Å; Y533-L547 HydrophobicContact CE2-CG 3.76Å; N536-L547 HydrophobicContact CB-CD1 3.62Å; A537-L547 HydrophobicContact CB-CD1 4.01Å; A537-L547 HydrophobicContact CB-CD2 4.01Å; A537-L547 VanDerWaalsContact N-CD1 3.27Å; M542-L547 HydrophobicContact CG-CB 4.33Å; M542-L547 VanDerWaalsContact SD-CA 3.51Å; M542-L547 HydrophobicContact SD-CB 3.97Å; M542-L547 HydrophobicContact SD-CD1 4.07Å; S543-L547 PolarHBondContact O-N 2.95Å; L544-L547 WeakPolarHBondContact O-CB 3.37Å; L544-L547 PolarHBondContact O-N 3.43Å; R545-L547 VanDerWaalsContact C-N 3.3Å; R545-L547 PolarHBondContact O-N 3.25Å; L547-H549 VanDerWaalsContact C-N 3.28Å; L547-H549 PolarHBondContact O-N 2.64Å; L547-S550 PolarHBondContact O-N 3.19Å; L547-S550 PolarHBondContact O-OG 3.16Å
548	L	59.3	Low	62.8	Low	12 Å²	12	54 Å²	54	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-31.9	177.7	-68	156.7	0	0	0	113	L544 R545 Y611 T614	L544-L548 HydrophobicContact CG-CD1 4.1Å; L544-L548 VanDerWaalsContact O-CD1 3.24Å; L544-L548 WeakPolarHBondContact O-CD1 3.44Å; L544-L548 VanDerWaalsContact O-CG 3.24Å; L544-L548 WeakPolarHBondContact O-CG 3.45Å; L544-L548 PolarHBondContact O-N 3Å; R545-L548 PolarHBondContact O-N 3.29Å; L548-Y611 HydrophobicContact CD2-CD2 4.5Å; L548-Y611 HydrophobicContact CD2-CE2 4.07Å; L548-T614 HydrophobicContact CD1-CG2 3.57Å; L548-T614 WeakPolarHBondContact CD1-OG1 3.39Å
549	H	63.3	Low	63.4	Low	131 Å²	131	50.9 Å²	50.9	61%	0.606	27%	0.267	S	S	*	.	H	α-helix	trans	-86.6	-19.7	175.8	-68.6	-56.8	0	0	0	114	R545 A546 L547 A551	R545-H549 PolarHBondContact O-CD2 3.4Å; R545-H549 PolarHBondContact O-N 2.9Å; R545-H549 VanDerWaalsContact O-N 3.09Å; A546-H549 CarbonylContact O-C 3.37Å; A546-H549 PolarHBondContact O-N 2.67Å; L547-H549 VanDerWaalsContact C-N 3.28Å; L547-H549 PolarHBondContact O-N 2.64Å; H549-A551 VanDerWaalsContact C-N 3.29Å; H549-A551 PolarHBondContact O-N 2.97Å
550	S	64.6	Low	63.6	Low	46 Å²	46	47 Å²	47	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-71.5	-24.4	-173.7	71.7	0	0	0	0	113.9	N536 A546 L547	N536-S550 WeakPolarHBondContact ND2-CB 3.21Å; N536-S550 PolarHBondContact ND2-OG 3.03Å; A546-S550 WeakPolarHBondContact O-CA 3.31Å; A546-S550 WeakPolarHBondContact O-CB 3.45Å; A546-S550 PolarHBondContact O-N 3.26Å; L547-S550 PolarHBondContact O-N 3.19Å; L547-S550 PolarHBondContact O-OG 3.16Å
551	A	60.4	Low	64.3	Low	11 Å²	11	44 Å²	44	9%	0.091	23%	0.228	C	C	.	.			trans	-156.9	135.6	168.8	0	0	0	0	0	105.3	I532 H549 P553	I532-A551 HydrophobicContact CB-CB 4.07Å; I532-A551 HydrophobicContact CG2-CB 3.84Å; H549-A551 VanDerWaalsContact C-N 3.29Å; H549-A551 PolarHBondContact O-N 2.97Å; A551-P553 WeakPolarHBondContact O-CD 3.4Å
552	D	65.6	Low	65.2	Low	67 Å²	67	44.4 Å²	44.4	36%	0.358	23%	0.229	S	C	.	.			trans	-105.8	76.7	177.5	-167.6	-8.1	0	0	0	110.9	F554 A555 C556 Y611	D552-F554 PolarHBondContact O-N 3.12Å; D552-F554 VanDerWaalsContact O-N 3.12Å; D552-F554 WeakPolarHBondContact OD1-CA 3.17Å; D552-F554 WeakPolarHBondContact OD1-CB 3.18Å; D552-F554 PolarHBondContact OD1-N 2.92Å; D552-A555 HydrophobicContact CB-CB 3.83Å; D552-A555 VanDerWaalsContact CG-N 3.26Å; D552-A555 PolarHBondContact O-N 3.22Å; D552-A555 VanDerWaalsContact O-N 3.16Å; D552-A555 PolarHBondContact OD1-N 2.94Å; D552-A555 WeakPolarHBondContact OD2-CB 3.29Å; D552-C556 PolarHBondContact O-N 3.36Å; D552-Y611 PolarHBondContact OD1-OH 3.17Å
553	P	67.3	Low	65.7	Low	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-50	-29.7	168	-26.3	31	0	0	0	112.7	F526 S529 L530 Y533 A551 C556 L557 F607	F526-P553 HydrophobicContact CD2-CB 4.49Å; F526-P553 HydrophobicContact CE2-CB 3.87Å; F526-P553 WeakPolarHBondContact CE2-O 3.31Å; S529-P553 WeakPolarHBondContact OG-CD 3.25Å; L530-P553 HydrophobicContact CD2-CB 3.99Å; L530-P553 HydrophobicContact CD2-CG 4.28Å; Y533-P553 HydrophobicContact CD2-CG 3.91Å; Y533-P553 HydrophobicContact CG-CG 3.9Å; A551-P553 WeakPolarHBondContact O-CD 3.4Å; P553-C556 WeakPolarHBondContact O-CB 3.49Å; P553-C556 PolarHBondContact O-N 2.76Å; P553-L557 WeakPolarHBondContact O-CB 3.26Å; P553-L557 PolarHBondContact O-N 2.99Å; P553-F607 HydrophobicContact CB-CD1 4.18Å; P553-F607 HydrophobicContact CB-CD2 4.32Å; P553-F607 HydrophobicContact CB-CE1 3.51Å; P553-F607 HydrophobicContact CB-CE2 3.69Å; P553-F607 HydrophobicContact CB-CZ 3.27Å; P553-F607 HydrophobicContact CG-CE1 3.68Å; P553-F607 HydrophobicContact CG-CZ 3.72Å
554	F	68.5	Low	65.7	Low	3 Å²	3	45 Å²	45	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-77.5	-33.7	-177.9	-170.4	-110	0	0	0	112.3	D552 C556 L557 K558 F607 Y611 T627 F630	D552-F554 PolarHBondContact O-N 3.12Å; D552-F554 VanDerWaalsContact O-N 3.12Å; D552-F554 WeakPolarHBondContact OD1-CA 3.17Å; D552-F554 WeakPolarHBondContact OD1-CB 3.18Å; D552-F554 PolarHBondContact OD1-N 2.92Å; F554-C556 VanDerWaalsContact C-N 3.31Å; F554-L557 HydrophobicContact CD2-CD2 4.32Å; F554-L557 PolarHBondContact O-N 2.87Å; F554-K558 HydrophobicContact CD1-CD 3.99Å; F554-K558 HydrophobicContact CD1-CG 4.4Å; F554-K558 HydrophobicContact CE1-CD 3.94Å; F554-K558 HydrophobicContact CE1-CG 4.4Å; F554-K558 WeakPolarHBondContact O-CB 3.27Å; F554-K558 WeakPolarHBondContact O-CG 2.93Å; F554-K558 PolarHBondContact O-N 3.22Å; F554-F607 HydrophobicContact CD2-CB 4.32Å; F554-Y611 HydrophobicContact CB-CD1 4.44Å; F554-Y611 HydrophobicContact CB-CD2 4.27Å; F554-Y611 HydrophobicContact CB-CE1 3.66Å; F554-Y611 HydrophobicContact CB-CE2 3.44Å; F554-Y611 VanDerWaalsContact CB-CE2 3.44Å; F554-Y611 WeakPolarHBondContact CB-OH 3.42Å; F554-Y611 AromaticContact CD1-CD1 3.59Å; F554-Y611 HydrophobicContact CD1-CD1 3.59Å; F554-Y611 AromaticContact CD1-CE1 3.2Å; F554-Y611 HydrophobicContact CD1-CE1 3.2Å; F554-Y611 HydrophobicContact CD1-CE2 4.39Å; F554-Y611 HydrophobicContact CD1-CG 4.36Å; F554-Y611 AromaticContact CD1-CZ 3.68Å; F554-Y611 HydrophobicContact CD2-CD1 4.15Å; F554-Y611 HydrophobicContact CD2-CD2 4.05Å; F554-Y611 HydrophobicContact CD2-CE1 4.19Å; F554-Y611 HydrophobicContact CD2-CE2 4.07Å; F554-Y611 HydrophobicContact CD2-CG 4.11Å; F554-Y611 AromaticContact CE1-CD1 3.6Å; F554-Y611 HydrophobicContact CE1-CD1 3.6Å; F554-Y611 AromaticContact CE1-CE1 3.7Å; F554-Y611 HydrophobicContact CE1-CE1 3.7Å; F554-Y611 HydrophobicContact CE1-CG 4.37Å; F554-Y611 HydrophobicContact CE2-CD1 4.22Å; F554-Y611 HydrophobicContact CE2-CG 4.19Å; F554-Y611 AromaticContact CG-CD1 3.86Å; F554-Y611 HydrophobicContact CG-CD1 3.86Å; F554-Y611 HydrophobicContact CG-CD2 4.15Å; F554-Y611 AromaticContact CG-CE1 3.47Å; F554-Y611 HydrophobicContact CG-CE1 3.47Å; F554-Y611 VanDerWaalsContact CG-CE1 3.47Å; F554-Y611 AromaticContact CG-CE2 3.78Å; F554-Y611 HydrophobicContact CG-CE2 3.78Å; F554-Y611 HydrophobicContact CG-CG 4.21Å; F554-Y611 AromaticContact CG-CZ 3.45Å; F554-Y611 VanDerWaalsContact CG-CZ 3.45Å; F554-Y611 AromaticContact CZ-CD1 3.96Å; F554-Y611 HydrophobicContact CZ-CD1 3.96Å; F554-Y611 HydrophobicContact CZ-CE1 4.42Å; F554-Y611 HydrophobicContact CZ-CG 4.32Å; F554-T627 HydrophobicContact CZ-CG2 4.25Å; F554-F630 HydrophobicContact CD2-CE1 4.37Å; F554-F630 AromaticContact CE2-CD1 3.69Å; F554-F630 HydrophobicContact CE2-CD1 3.69Å; F554-F630 AromaticContact CE2-CE1 3.65Å; F554-F630 HydrophobicContact CE2-CE1 3.65Å; F554-F630 AromaticContact CZ-CD1 3.58Å; F554-F630 HydrophobicContact CZ-CD1 3.58Å; F554-F630 AromaticContact CZ-CE1 3.89Å; F554-F630 HydrophobicContact CZ-CE1 3.89Å
555	A	74.7	Confident	65.5	Low	44 Å²	44	51.8 Å²	51.8	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-41.5	166.9	0	0	0	0	0	111	D552 K558 S559	D552-A555 HydrophobicContact CB-CB 3.83Å; D552-A555 VanDerWaalsContact CG-N 3.26Å; D552-A555 PolarHBondContact O-N 3.22Å; D552-A555 VanDerWaalsContact O-N 3.16Å; D552-A555 PolarHBondContact OD1-N 2.94Å; D552-A555 WeakPolarHBondContact OD2-CB 3.29Å; A555-K558 PolarHBondContact O-N 3.42Å; A555-S559 WeakPolarHBondContact O-CB 3.43Å; A555-S559 PolarHBondContact O-N 2.93Å
556	C	74.8	Confident	65	Low	21 Å²	21	44.5 Å²	44.5	14%	0.142	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-44.8	174	-64.6	0	0	0	0	111.3	F526 D552 P553 F554 S559 L560	F526-C556 HydrophobicContact CB-CB 3.82Å; F526-C556 HydrophobicContact CD2-CB 3.43Å; F526-C556 VanDerWaalsContact CD2-CB 3.43Å; F526-C556 HydrophobicContact CE2-CB 4.14Å; F526-C556 HydrophobicContact CG-CB 3.76Å; D552-C556 PolarHBondContact O-N 3.36Å; P553-C556 WeakPolarHBondContact O-CB 3.49Å; P553-C556 PolarHBondContact O-N 2.76Å; F554-C556 VanDerWaalsContact C-N 3.31Å; C556-S559 PolarHBondContact O-N 3.36Å; C556-L560 PolarHBondContact O-N 3.32Å
557	L	71.5	Confident	64	Low	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-45.5	176.2	-175.4	66.1	0	0	0	112.2	F526 P553 F554 S559 L560 F561 F600 P603 F630 I634	F526-L557 HydrophobicContact CE1-CD1 4.32Å; F526-L557 HydrophobicContact CZ-CB 4.21Å; F526-L557 HydrophobicContact CZ-CD1 4.31Å; P553-L557 WeakPolarHBondContact O-CB 3.26Å; P553-L557 PolarHBondContact O-N 2.99Å; F554-L557 HydrophobicContact CD2-CD2 4.32Å; F554-L557 PolarHBondContact O-N 2.87Å; L557-S559 VanDerWaalsContact C-N 3.33Å; L557-S559 PolarHBondContact O-N 2.85Å; L557-L560 WeakPolarHBondContact O-CB 3.5Å; L557-L560 PolarHBondContact O-N 3.17Å; L557-F561 PolarHBondContact O-N 2.91Å; L557-F600 HydrophobicContact CD1-CD1 4.17Å; L557-F600 HydrophobicContact CD1-CE1 4.36Å; L557-P603 HydrophobicContact CD1-CB 4.1Å; L557-P603 HydrophobicContact CD1-CG 4.02Å; L557-P603 HydrophobicContact CD2-CB 4.29Å; L557-F630 HydrophobicContact CD2-CE1 4.2Å; L557-F630 HydrophobicContact CG-CE1 4.48Å; L557-F630 HydrophobicContact CG-CZ 4.41Å; L557-I634 HydrophobicContact CD2-CD1 4.28Å
558	K	71.8	Confident	63.1	Low	54 Å²	54	51.2 Å²	51.2	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-44.1	174.2	-83.6	178.3	167.4	173.3	0	111.1	F554 A555 F561 R562 F630	F554-K558 HydrophobicContact CD1-CD 3.99Å; F554-K558 HydrophobicContact CD1-CG 4.4Å; F554-K558 HydrophobicContact CE1-CD 3.94Å; F554-K558 HydrophobicContact CE1-CG 4.4Å; F554-K558 WeakPolarHBondContact O-CB 3.27Å; F554-K558 WeakPolarHBondContact O-CG 2.93Å; F554-K558 PolarHBondContact O-N 3.22Å; A555-K558 PolarHBondContact O-N 3.42Å; K558-F561 PolarHBondContact O-N 3.23Å; K558-R562 WeakPolarHBondContact O-CG 3.3Å; K558-R562 PolarHBondContact O-N 2.71Å; K558-F630 HydrophobicContact CB-CZ 4.42Å; K558-F630 HydrophobicContact CG-CE1 4.06Å; K558-F630 HydrophobicContact CG-CE2 3.97Å; K558-F630 HydrophobicContact CG-CZ 3.69Å
559	S	75.9	Confident	62.4	Low	43 Å²	43	54.9 Å²	54.9	30%	0.301	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-37.7	177.8	-170.3	0	0	0	0	112.1	A555 C556 L557 F561 R562 T563	A555-S559 WeakPolarHBondContact O-CB 3.43Å; A555-S559 PolarHBondContact O-N 2.93Å; C556-S559 PolarHBondContact O-N 3.36Å; L557-S559 VanDerWaalsContact C-N 3.33Å; L557-S559 PolarHBondContact O-N 2.85Å; S559-F561 VanDerWaalsContact C-N 3.34Å; S559-R562 PolarHBondContact O-N 3.21Å; S559-T563 PolarHBondContact O-N 3.15Å; S559-T563 PolarHBondContact O-OG1 3.17Å
560	L	68.2	Low	61.3	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-44.5	174.3	-90.2	158.6	0	0	0	110.8	L522 L523 F526 C556 L557 R562 T563 L564	L522-L560 HydrophobicContact CD2-CB 4.26Å; L522-L560 HydrophobicContact CD2-CD2 3.86Å; L522-L560 HydrophobicContact CD2-CG 3.68Å; L522-L560 HydrophobicContact CG-CD2 4.17Å; L522-L560 HydrophobicContact CG-CG 3.88Å; L523-L560 HydrophobicContact CD2-CD1 4.41Å; L523-L560 HydrophobicContact CD2-CD2 3.73Å; L523-L560 HydrophobicContact CG-CD2 4.38Å; F526-L560 HydrophobicContact CB-CD1 4.21Å; F526-L560 HydrophobicContact CD1-CD1 3.28Å; F526-L560 HydrophobicContact CE1-CD1 3.85Å; F526-L560 HydrophobicContact CG-CD1 4.03Å; C556-L560 PolarHBondContact O-N 3.32Å; L557-L560 WeakPolarHBondContact O-CB 3.5Å; L557-L560 PolarHBondContact O-N 3.17Å; L560-R562 PolarHBondContact O-N 2.82Å; L560-T563 PolarHBondContact O-N 3.15Å; L560-L564 PolarHBondContact O-N 3.23Å
561	F	65.1	Low	60.2	Low	10 Å²	10	57.4 Å²	57.4	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-38.4	178.9	-155	-98.1	0	0	0	112.8	L557 K558 S559 L564 A566 F600 F630 I634 V637	L557-F561 PolarHBondContact O-N 2.91Å; K558-F561 PolarHBondContact O-N 3.23Å; S559-F561 VanDerWaalsContact C-N 3.34Å; F561-L564 WeakPolarHBondContact O-CB 3.33Å; F561-L564 PolarHBondContact O-N 3.4Å; F561-A566 HydrophobicContact CD1-CB 3.78Å; F561-A566 HydrophobicContact CE1-CB 3.47Å; F561-A566 VanDerWaalsContact CE1-CB 3.47Å; F561-A566 HydrophobicContact CE2-CB 4.33Å; F561-A566 HydrophobicContact CG-CB 4.35Å; F561-A566 HydrophobicContact CZ-CB 3.8Å; F561-F600 HydrophobicContact CD2-CD1 4.16Å; F561-F600 AromaticContact CD2-CE1 3.77Å; F561-F600 HydrophobicContact CD2-CE1 3.77Å; F561-F630 HydrophobicContact CB-CE2 4.16Å; F561-F630 HydrophobicContact CB-CZ 4.37Å; F561-F630 HydrophobicContact CD1-CE2 4.13Å; F561-F630 HydrophobicContact CG-CE2 4.14Å; F561-I634 HydrophobicContact CD2-CG1 3.99Å; F561-I634 HydrophobicContact CE2-CB 4.42Å; F561-I634 HydrophobicContact CE2-CG1 3.69Å; F561-I634 HydrophobicContact CZ-CG1 4.18Å; F561-V637 HydrophobicContact CE2-CB 4.15Å; F561-V637 HydrophobicContact CE2-CG1 4.3Å; F561-V637 HydrophobicContact CE2-CG2 4.11Å; F561-V637 HydrophobicContact CZ-CB 4.08Å; F561-V637 HydrophobicContact CZ-CG2 3.56Å
562	R	69	Low	59.3	Low	165 Å²	165	60.7 Å²	60.7	62%	0.623	32%	0.32	S	S	*	.	H	α-helix	trans	-65	-40.4	172.9	-73	176.6	-174.2	152.8	-0.1	112.5	K558 S559 L560 L564 R565	K558-R562 WeakPolarHBondContact O-CG 3.3Å; K558-R562 PolarHBondContact O-N 2.71Å; S559-R562 PolarHBondContact O-N 3.21Å; L560-R562 PolarHBondContact O-N 2.82Å; R562-L564 PolarHBondContact O-N 2.97Å; R562-R565 PolarHBondContact O-N 2.79Å
563	T	64.8	Low	58	Low	56 Å²	56	62.6 Å²	62.6	34%	0.344	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-34.1	-179.5	-52.7	0	0	0	0	111.6	N519 L522 S559 L560 R565	N519-T563 HydrophobicContact CB-CG2 4.34Å; L522-T563 WeakPolarHBondContact CD2-OG1 3.49Å; S559-T563 PolarHBondContact O-N 3.15Å; S559-T563 PolarHBondContact O-OG1 3.17Å; L560-T563 PolarHBondContact O-N 3.15Å; T563-R565 PolarHBondContact O-N 3.03Å
564	L	55.6	Low	56.5	Low	39 Å²	39	63.7 Å²	63.7	20%	0.204	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-1.8	174.4	-85.8	178.3	0	0	0	114.9	Y518 L560 F561 R562 A566 M596 F600	Y518-L564 HydrophobicContact CD1-CD2 3.83Å; Y518-L564 HydrophobicContact CD1-CG 4.05Å; Y518-L564 HydrophobicContact CE1-CD1 3.89Å; Y518-L564 HydrophobicContact CE1-CD2 3.18Å; Y518-L564 HydrophobicContact CE1-CG 3.67Å; L560-L564 PolarHBondContact O-N 3.23Å; F561-L564 WeakPolarHBondContact O-CB 3.33Å; F561-L564 PolarHBondContact O-N 3.4Å; R562-L564 PolarHBondContact O-N 2.97Å; L564-A566 HydrophobicContact CB-CB 4.37Å; L564-A566 PolarHBondContact O-N 3.28Å; L564-A566 VanDerWaalsContact O-N 3.07Å; L564-M596 HydrophobicContact CD1-CE 3.98Å; L564-M596 HydrophobicContact CD1-SD 4.47Å; L564-F600 HydrophobicContact CD1-CE1 4.22Å; L564-F600 HydrophobicContact CD1-CE2 3.6Å; L564-F600 HydrophobicContact CD1-CZ 3.26Å; L564-F600 HydrophobicContact CG-CZ 4.42Å
565	R	51.9	Low	55	Low	171 Å²	171	70 Å²	70	65%	0.645	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	29	-168.3	-58	-170.8	-172.4	-175	3.2	112.6	R562 T563 D567 E568	R562-R565 PolarHBondContact O-N 2.79Å; T563-R565 PolarHBondContact O-N 3.03Å; R565-D567 PolarHBondContact O-N 3.5Å; R565-E568 HydrophobicContact CB-CG 4.39Å; R565-E568 IonicContact NH1-OE1 2.58Å; R565-E568 WeakPolarHBondContact O-CB 3.35Å; R565-E568 PolarHBondContact O-N 3.43Å
566	A	48.2	Very low	53.1	Low	12 Å²	12	72 Å²	72	10%	0.099	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-62.9	-17	179.2	0	0	0	0	0	112	F561 L564 E568 Y569 V637	F561-A566 HydrophobicContact CD1-CB 3.78Å; F561-A566 HydrophobicContact CE1-CB 3.47Å; F561-A566 VanDerWaalsContact CE1-CB 3.47Å; F561-A566 HydrophobicContact CE2-CB 4.33Å; F561-A566 HydrophobicContact CG-CB 4.35Å; F561-A566 HydrophobicContact CZ-CB 3.8Å; L564-A566 HydrophobicContact CB-CB 4.37Å; L564-A566 PolarHBondContact O-N 3.28Å; L564-A566 VanDerWaalsContact O-N 3.07Å; A566-E568 VanDerWaalsContact C-N 3.26Å; A566-E568 PolarHBondContact O-N 3.22Å; A566-Y569 WeakPolarHBondContact O-CB 3.31Å; A566-Y569 PolarHBondContact O-N 3.32Å; A566-Y569 VanDerWaalsContact O-N 3.11Å; A566-V637 HydrophobicContact CB-CG2 4.5Å
567	D	41.4	Very low	51.3	Low	97 Å²	97	74 Å²	74	52%	0.519	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-67	-23	171	-68.9	-27.4	0	0	0	113	R565 Y569 Q570	R565-D567 PolarHBondContact O-N 3.5Å; D567-Y569 PolarHBondContact O-N 2.88Å; D567-Y569 VanDerWaalsContact O-N 3.1Å; D567-Q570 WeakPolarHBondContact O-CB 3.32Å; D567-Q570 PolarHBondContact O-N 3.42Å
568	E	43.7	Very low	49.7	Very low	91 Å²	91	75.5 Å²	75.5	43%	0.425	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-63.6	-11.9	170.3	-73.4	-178.8	-173.3	0	0	112.1	R565 A566 Q570 S571	R565-E568 HydrophobicContact CB-CG 4.39Å; R565-E568 IonicContact NH1-OE1 2.58Å; R565-E568 WeakPolarHBondContact O-CB 3.35Å; R565-E568 PolarHBondContact O-N 3.43Å; A566-E568 VanDerWaalsContact C-N 3.26Å; A566-E568 PolarHBondContact O-N 3.22Å; E568-Q570 PolarHBondContact O-N 3.03Å; E568-S571 PolarHBondContact O-N 3.47Å; E568-S571 VanDerWaalsContact O-N 3.14Å; E568-S571 PolarHBondContact O-OG 2.81Å
569	Y	43.5	Very low	47.9	Very low	90 Å²	90	81.3 Å²	81.3	35%	0.353	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-67.8	-15.8	168	-91.3	-92.7	0	0	0	113.9	A566 D567 S571 A574 F640	A566-Y569 WeakPolarHBondContact O-CB 3.31Å; A566-Y569 PolarHBondContact O-N 3.32Å; A566-Y569 VanDerWaalsContact O-N 3.11Å; D567-Y569 PolarHBondContact O-N 2.88Å; D567-Y569 VanDerWaalsContact O-N 3.1Å; Y569-S571 VanDerWaalsContact C-N 3.33Å; Y569-A574 HydrophobicContact CD1-CB 3.89Å; Y569-A574 HydrophobicContact CE1-CB 3.83Å; Y569-A574 HydrophobicContact CG-CB 4.27Å; Y569-F640 HydrophobicContact CE1-CD2 4.31Å; Y569-F640 HydrophobicContact CE1-CG 4.47Å; Y569-F640 WeakPolarHBondContact OH-CD1 3.47Å; Y569-F640 WeakPolarHBondContact OH-CD2 3.4Å; Y569-F640 WeakPolarHBondContact OH-CE1 3.37Å; Y569-F640 VanDerWaalsContact OH-CE2 3.28Å; Y569-F640 WeakPolarHBondContact OH-CE2 3.43Å; Y569-F640 WeakPolarHBondContact OH-CG 3.41Å; Y569-F640 WeakPolarHBondContact OH-CZ 3.48Å
570	Q	41.3	Very low	45.8	Very low	170 Å²	170	89.3 Å²	89.3	79%	0.794	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-73.8	-28.2	170.4	-69.1	-159	-0.8	0	0	112.1	D567 E568	D567-Q570 WeakPolarHBondContact O-CB 3.32Å; D567-Q570 PolarHBondContact O-N 3.42Å; E568-Q570 PolarHBondContact O-N 3.03Å
571	S	41.2	Very low	44	Very low	60 Å²	60	93.3 Å²	93.3	42%	0.42	46%	0.464	S	S	.	.	S	Bend	trans	-83.2	122.7	168.1	54.2	0	0	0	0	108.6	E568 Y569 D573	E568-S571 PolarHBondContact O-N 3.47Å; E568-S571 VanDerWaalsContact O-N 3.14Å; E568-S571 PolarHBondContact O-OG 2.81Å; Y569-S571 VanDerWaalsContact C-N 3.33Å; S571-D573 PolarHBondContact O-N 3.49Å
572	G	40.2	Very low	42.7	Very low	80 Å²	80	95.6 Å²	95.6	83%	0.825	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	10.4	-179.9	0	0	0	0	0	116.6
573	D	39.5	Very low	41.2	Very low	107 Å²	107	94.5 Å²	94.5	57%	0.572	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.3	177.9	-92.4	-30.8	0	0	0	114.6	S571 E575 V576 S577	S571-D573 PolarHBondContact O-N 3.49Å; D573-E575 PolarHBondContact O-N 2.9Å; D573-V576 PolarHBondContact O-N 3.25Å; D573-S577 PolarHBondContact O-N 2.97Å
574	A	36.2	Very low	39.7	Very low	23 Å²	23	96.3 Å²	96.3	19%	0.19	50%	0.499	C	S	.	.	H	α-helix	trans	-52.2	-30.7	176	0	0	0	0	0	112.3	Y569 V576 V578	Y569-A574 HydrophobicContact CD1-CB 3.89Å; Y569-A574 HydrophobicContact CE1-CB 3.83Å; Y569-A574 HydrophobicContact CG-CB 4.27Å; A574-V576 PolarHBondContact O-N 3.43Å; A574-V578 WeakPolarHBondContact O-CB 3.43Å; A574-V578 WeakPolarHBondContact O-CG2 3.35Å; A574-V578 PolarHBondContact O-N 3.46Å
575	E	35.7	Very low	38.8	Very low	135 Å²	135	100.1 Å²	100.1	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-68.6	-34.1	-179.9	-148.8	178.7	-172.9	0	0	113.4	D573 R579	D573-E575 PolarHBondContact O-N 2.9Å; E575-R579 PolarHBondContact O-N 3.48Å
576	V	35.8	Very low	38.5	Very low	86 Å²	86	95.9 Å²	95.9	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-79.8	-42.7	-175.8	179.2	0	0	0	0	111.5	D573 A574 V578 R579 R580	D573-V576 PolarHBondContact O-N 3.25Å; A574-V576 PolarHBondContact O-N 3.43Å; V576-V578 PolarHBondContact O-N 2.85Å; V576-R579 PolarHBondContact O-N 3.4Å; V576-R580 PolarHBondContact O-N 3.37Å
577	S	35.7	Very low	38.2	Very low	64 Å²	64	100.8 Å²	100.8	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-32.6	172.8	-64.3	0	0	0	0	111.5	D573	D573-S577 PolarHBondContact O-N 2.97Å
578	V	38.4	Very low	38.5	Very low	32 Å²	32	99.2 Å²	99.2	19%	0.194	53%	0.53	C	S	.	.	H	α-helix	trans	-80.1	-31.5	-179.2	169.9	0	0	0	0	113.1	A574 V576 L581 S582 F640 K644	A574-V578 WeakPolarHBondContact O-CB 3.43Å; A574-V578 WeakPolarHBondContact O-CG2 3.35Å; A574-V578 PolarHBondContact O-N 3.46Å; V576-V578 PolarHBondContact O-N 2.85Å; V578-L581 PolarHBondContact O-N 3.28Å; V578-S582 PolarHBondContact O-N 3.04Å; V578-S582 VanDerWaalsContact O-N 3.1Å; V578-F640 HydrophobicContact CG1-CZ 3.97Å; V578-F640 HydrophobicContact CG2-CZ 4.13Å; V578-K644 HydrophobicContact CG1-CD 4.4Å
579	R	35.3	Very low	38.6	Very low	176 Å²	176	97 Å²	97	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-60.1	-45.1	171.7	-94.8	-177.1	177.1	152	4	111.7	E575 V576 L581 S582	E575-R579 PolarHBondContact O-N 3.48Å; V576-R579 PolarHBondContact O-N 3.4Å; R579-L581 VanDerWaalsContact C-N 3.3Å; R579-L581 PolarHBondContact O-N 3.27Å; R579-S582 PolarHBondContact O-N 3.31Å
580	R	30.9	Very low	38.8	Very low	211 Å²	211	95.4 Å²	95.4	80%	0.796	51%	0.514	S	S	*	.	H	α-helix	trans	-66.7	-27.8	-179.9	-81.9	-175	173.6	170.7	-0.5	114.2	V576	V576-R580 PolarHBondContact O-N 3.37Å
581	L	30.2	Very low	39.3	Very low	84 Å²	84	91.1 Å²	91.1	44%	0.44	49%	0.493	S	S	.	.	H	α-helix	trans	-88.8	-26.4	-179.1	-77.4	164.1	0	0	0	113.5	V578 R579 D583 V584 Y589	V578-L581 PolarHBondContact O-N 3.28Å; R579-L581 VanDerWaalsContact C-N 3.3Å; R579-L581 PolarHBondContact O-N 3.27Å; L581-D583 VanDerWaalsContact C-N 3.25Å; L581-D583 PolarHBondContact O-N 3.47Å; L581-V584 PolarHBondContact O-N 2.74Å; L581-Y589 VanDerWaalsContact CB-OH 3.31Å; L581-Y589 WeakPolarHBondContact CB-OH 3.27Å
582	S	39.2	Very low	39.7	Very low	59 Å²	59	89.3 Å²	89.3	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-34.2	178.5	-168.6	0	0	0	0	113.1	V578 R579 V584	V578-S582 PolarHBondContact O-N 3.04Å; V578-S582 VanDerWaalsContact O-N 3.1Å; R579-S582 PolarHBondContact O-N 3.31Å; S582-V584 VanDerWaalsContact C-N 3.28Å; S582-V584 PolarHBondContact O-N 3.45Å
583	D	36.5	Very low	40.4	Very low	142 Å²	142	86 Å²	86	76%	0.759	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.3	-172.5	-68.1	-18.6	0	0	0	113.7	L581	L581-D583 VanDerWaalsContact C-N 3.25Å; L581-D583 PolarHBondContact O-N 3.47Å
584	V	33.5	Very low	41.1	Very low	94 Å²	94	87.1 Å²	87.1	57%	0.57	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-16.1	-167.7	-171.7	0	0	0	0	114.9	L581 S582	L581-V584 PolarHBondContact O-N 2.74Å; S582-V584 VanDerWaalsContact C-N 3.28Å; S582-V584 PolarHBondContact O-N 3.45Å
585	Y	36	Very low	42.2	Very low	118 Å²	118	86.5 Å²	86.5	46%	0.463	43%	0.434	S	S	.	.			trans	-140.6	37.4	-160.8	-72.9	-67.3	0	0	0	117.6	V587 V588 Y589	Y585-V587 VanDerWaalsContact C-N 3.35Å; Y585-V587 PolarHBondContact O-N 2.88Å; Y585-V588 HydrophobicContact CD1-CB 4.24Å; Y585-V588 HydrophobicContact CD1-CG2 3.88Å; Y585-V588 PolarHBondContact O-N 2.76Å; Y585-V588 VanDerWaalsContact O-N 3.08Å; Y585-Y589 VanDerWaalsContact O-CD2 3.23Å; Y585-Y589 WeakPolarHBondContact O-CD2 3.41Å; Y585-Y589 PolarHBondContact O-N 3.49Å
586	S	45.2	Very low	43.2	Very low	82 Å²	82	80.3 Å²	80.3	57%	0.573	41%	0.405	S	S	*	.	H	α-helix	trans	-55.3	-40.1	-172.1	83.9	0	0	0	0	115.3	E590	S586-E590 PolarHBondContact O-N 3.4Å
587	V	43.3	Very low	44.3	Very low	115 Å²	115	80.4 Å²	80.4	70%	0.697	40%	0.4	S	S	*	.	H	α-helix	trans	-73.4	-36.4	179.1	-179.5	0	0	0	0	111.8	Y585 Y589 E590 K591	Y585-V587 VanDerWaalsContact C-N 3.35Å; Y585-V587 PolarHBondContact O-N 2.88Å; V587-Y589 VanDerWaalsContact C-N 3.31Å; V587-Y589 PolarHBondContact O-N 3.34Å; V587-E590 PolarHBondContact O-N 2.82Å; V587-K591 PolarHBondContact O-N 3.49Å
588	V	46.3	Very low	45.6	Very low	64 Å²	64	81.7 Å²	81.7	39%	0.388	40%	0.399	S	S	.	.	H	α-helix	trans	-68.4	-35.2	178	177.3	0	0	0	0	110.1	Y585 E590 K591 I592	Y585-V588 HydrophobicContact CD1-CB 4.24Å; Y585-V588 HydrophobicContact CD1-CG2 3.88Å; Y585-V588 PolarHBondContact O-N 2.76Å; Y585-V588 VanDerWaalsContact O-N 3.08Å; V588-E590 PolarHBondContact O-N 2.92Å; V588-K591 PolarHBondContact O-N 3.25Å; V588-I592 HydrophobicContact CG1-CD1 3.6Å; V588-I592 HydrophobicContact CG1-CG1 4.14Å; V588-I592 WeakPolarHBondContact O-CB 3.24Å; V588-I592 VanDerWaalsContact O-CG1 3.24Å; V588-I592 WeakPolarHBondContact O-CG1 3.49Å; V588-I592 PolarHBondContact O-N 3.42Å
589	Y	45.9	Very low	46.8	Very low	44 Å²	44	80.2 Å²	80.2	17%	0.173	39%	0.39	C	S	.	.	H	α-helix	trans	-67.7	-30.3	176.1	-84.3	-65.8	0	0	0	114.4	L581 Y585 V587 G593	L581-Y589 VanDerWaalsContact CB-OH 3.31Å; L581-Y589 WeakPolarHBondContact CB-OH 3.27Å; Y585-Y589 VanDerWaalsContact O-CD2 3.23Å; Y585-Y589 WeakPolarHBondContact O-CD2 3.41Å; Y585-Y589 PolarHBondContact O-N 3.49Å; V587-Y589 VanDerWaalsContact C-N 3.31Å; V587-Y589 PolarHBondContact O-N 3.34Å; Y589-G593 WeakPolarHBondContact O-CA 3.45Å; Y589-G593 PolarHBondContact O-N 2.95Å
590	E	48.6	Very low	48.2	Very low	57 Å²	57	72.1 Å²	72.1	27%	0.266	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-47.1	172.9	-169.1	-175.5	174.6	0	0	110.7	S586 V587 V588 I592 G593 R594 P858	S586-E590 PolarHBondContact O-N 3.4Å; V587-E590 PolarHBondContact O-N 2.82Å; V588-E590 PolarHBondContact O-N 2.92Å; E590-I592 PolarHBondContact O-N 3.08Å; E590-G593 PolarHBondContact O-N 3.27Å; E590-R594 WeakPolarHBondContact O-CG 3.3Å; E590-R594 PolarHBondContact O-N 3.31Å; E590-R594 VanDerWaalsContact O-N 3.08Å; E590-R594 IonicContact OE1-CZ 3.87Å; E590-R594 IonicContact OE1-NE 3.61Å; E590-R594 PolarHBondContact OE1-NE 2.95Å; E590-R594 IonicContact OE1-NH2 3.86Å; E590-R594 PolarHBondContact OE1-NH2 2.9Å; E590-P858 WeakPolarHBondContact OE1-CB 3.48Å; E590-P858 WeakPolarHBondContact OE1-CG 3.15Å
591	K	51.5	Low	49.9	Very low	80 Å²	80	66.7 Å²	66.7	35%	0.348	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177	-160.5	178.3	-177.6	-175	0	110.4	E511 V587 V588 I595	E511-K591 IonicContact OE1-NZ 3.49Å; E511-K591 PolarHBondContact OE1-NZ 2.91Å; E511-K591 IonicContact OE2-NZ 3.92Å; E511-K591 PolarHBondContact OE2-NZ 3.09Å; V587-K591 PolarHBondContact O-N 3.49Å; V588-K591 PolarHBondContact O-N 3.25Å; K591-I595 HydrophobicContact CG-CD1 4.05Å; K591-I595 WeakPolarHBondContact O-CB 3.46Å; K591-I595 WeakPolarHBondContact O-CD1 3.48Å; K591-I595 WeakPolarHBondContact O-CG1 3.44Å; K591-I595 PolarHBondContact O-N 2.98Å
592	I	49.5	Very low	51.6	Low	22 Å²	22	64.2 Å²	64.2	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-46.8	175.5	-70	174	0	0	0	111	V588 E590 R594 I595 M596	V588-I592 HydrophobicContact CG1-CD1 3.6Å; V588-I592 HydrophobicContact CG1-CG1 4.14Å; V588-I592 WeakPolarHBondContact O-CB 3.24Å; V588-I592 VanDerWaalsContact O-CG1 3.24Å; V588-I592 WeakPolarHBondContact O-CG1 3.49Å; V588-I592 PolarHBondContact O-N 3.42Å; E590-I592 PolarHBondContact O-N 3.08Å; I592-R594 VanDerWaalsContact C-N 3.32Å; I592-R594 PolarHBondContact O-N 3.46Å; I592-I595 CarbonylContact O-C 3.6Å; I592-I595 PolarHBondContact O-N 3.12Å; I592-I595 VanDerWaalsContact O-N 3.15Å; I592-M596 HydrophobicContact CG2-CG 3.79Å; I592-M596 WeakPolarHBondContact O-CB 3.44Å; I592-M596 WeakPolarHBondContact O-CG 3.21Å; I592-M596 PolarHBondContact O-N 3.06Å
593	G	54.4	Low	52.8	Low	11 Å²	11	61.4 Å²	61.4	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-41.8	-177.6	0	0	0	0	0	112.6	Y589 E590 M596 E597	Y589-G593 WeakPolarHBondContact O-CA 3.45Å; Y589-G593 PolarHBondContact O-N 2.95Å; E590-G593 PolarHBondContact O-N 3.27Å; G593-M596 PolarHBondContact O-N 3.34Å; G593-E597 PolarHBondContact O-N 3.24Å; G593-E597 VanDerWaalsContact O-N 3.08Å
594	R	56.2	Low	54.2	Low	130 Å²	130	57.6 Å²	57.6	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-44.7	173.6	-67.4	-177.7	-173.8	-156.6	6	112.2	E590 I592 M596 E597 E598	E590-R594 WeakPolarHBondContact O-CG 3.3Å; E590-R594 PolarHBondContact O-N 3.31Å; E590-R594 VanDerWaalsContact O-N 3.08Å; E590-R594 IonicContact OE1-CZ 3.87Å; E590-R594 IonicContact OE1-NE 3.61Å; E590-R594 PolarHBondContact OE1-NE 2.95Å; E590-R594 IonicContact OE1-NH2 3.86Å; E590-R594 PolarHBondContact OE1-NH2 2.9Å; I592-R594 VanDerWaalsContact C-N 3.32Å; I592-R594 PolarHBondContact O-N 3.46Å; R594-M596 VanDerWaalsContact C-N 3.26Å; R594-M596 PolarHBondContact O-N 2.96Å; R594-E597 PolarHBondContact O-N 2.91Å; R594-E598 PolarHBondContact O-N 2.96Å; R594-E598 VanDerWaalsContact O-N 3.17Å
595	I	58.6	Low	55.8	Low	10 Å²	10	55.6 Å²	55.6	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-39.1	175.2	-73.4	168.6	0	0	0	110.6	W507 I508 V514 K591 I592 E598 L599	W507-I595 HydrophobicContact CZ3-CD1 4.28Å; W507-I595 HydrophobicContact CZ3-CG1 4.28Å; I508-I595 HydrophobicContact CD1-CG2 3.55Å; I508-I595 HydrophobicContact CG1-CG2 4.03Å; I508-I595 HydrophobicContact CG2-CG2 4.38Å; V514-I595 HydrophobicContact CG1-CD1 4.22Å; V514-I595 HydrophobicContact CG1-CG2 4.36Å; V514-I595 HydrophobicContact CG2-CD1 3.81Å; K591-I595 HydrophobicContact CG-CD1 4.05Å; K591-I595 WeakPolarHBondContact O-CB 3.46Å; K591-I595 WeakPolarHBondContact O-CD1 3.48Å; K591-I595 WeakPolarHBondContact O-CG1 3.44Å; K591-I595 PolarHBondContact O-N 2.98Å; I592-I595 CarbonylContact O-C 3.6Å; I592-I595 PolarHBondContact O-N 3.12Å; I592-I595 VanDerWaalsContact O-N 3.15Å; I595-E598 PolarHBondContact O-N 2.75Å; I595-L599 WeakPolarHBondContact O-CB 3.48Å; I595-L599 PolarHBondContact O-N 3.46Å
596	M	56.9	Low	57.2	Low	6 Å²	6	50.1 Å²	50.1	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-38.4	178.1	-72.4	-68.6	-72.3	0	0	112	Y518 L564 I592 G593 R594 F600 Y641	Y518-M596 HydrophobicContact CE1-SD 3.95Å; Y518-M596 PolarHBondContact OH-SD 3.49Å; L564-M596 HydrophobicContact CD1-CE 3.98Å; L564-M596 HydrophobicContact CD1-SD 4.47Å; I592-M596 HydrophobicContact CG2-CG 3.79Å; I592-M596 WeakPolarHBondContact O-CB 3.44Å; I592-M596 WeakPolarHBondContact O-CG 3.21Å; I592-M596 PolarHBondContact O-N 3.06Å; G593-M596 PolarHBondContact O-N 3.34Å; R594-M596 VanDerWaalsContact C-N 3.26Å; R594-M596 PolarHBondContact O-N 2.96Å; M596-F600 HydrophobicContact CE-CD2 3.46Å; M596-F600 VanDerWaalsContact CE-CD2 3.46Å; M596-F600 HydrophobicContact CE-CE2 3.38Å; M596-F600 HydrophobicContact CE-CZ 4.38Å; M596-F600 WeakPolarHBondContact O-CB 3.21Å; M596-F600 PolarHBondContact O-N 3.46Å; M596-F600 HydrophobicContact SD-CD2 3.6Å; M596-F600 HydrophobicContact SD-CE2 3.33Å; M596-F600 WeakPolarHBondContact SD-CE2 3.19Å; M596-Y641 HydrophobicContact CE-CD2 3.72Å; M596-Y641 HydrophobicContact CE-CE2 3.64Å; M596-Y641 HydrophobicContact CE-CG 4.31Å
597	E	58.5	Low	58.3	Low	88 Å²	88	46.3 Å²	46.3	41%	0.411	23%	0.226	S	C	.	.	I	π-helix	trans	-60	-50.2	173.7	-170.1	160.4	-142.9	0	0	109.9	G593 R594 F601 F638	G593-E597 PolarHBondContact O-N 3.24Å; G593-E597 VanDerWaalsContact O-N 3.08Å; R594-E597 PolarHBondContact O-N 2.91Å; E597-F601 WeakPolarHBondContact O-CA 3.49Å; E597-F601 WeakPolarHBondContact O-CB 3.41Å; E597-F601 PolarHBondContact O-N 2.97Å; E597-F638 HydrophobicContact CB-CE2 3.91Å; E597-F638 HydrophobicContact CG-CE2 3.71Å; E597-F638 HydrophobicContact CG-CZ 4.01Å
598	E	62.8	Low	59.6	Low	91 Å²	91	41 Å²	41	43%	0.425	20%	0.195	S	C	.	.	I	π-helix	trans	-69.9	-38.6	177.8	-63.9	-161.4	171.1	0	0	113.8	L501 I504 R594 I595 L602	L501-E598 WeakPolarHBondContact CD1-O 3.21Å; I504-E598 HydrophobicContact CD1-CB 4.37Å; I504-E598 WeakPolarHBondContact CD1-OE2 3.46Å; I504-E598 WeakPolarHBondContact CG1-OE2 3.34Å; I504-E598 HydrophobicContact CG2-CB 4.17Å; R594-E598 PolarHBondContact O-N 2.96Å; R594-E598 VanDerWaalsContact O-N 3.17Å; I595-E598 PolarHBondContact O-N 2.75Å; E598-L602 HydrophobicContact CB-CD1 4.18Å; E598-L602 HydrophobicContact CG-CD1 4.48Å; E598-L602 WeakPolarHBondContact O-CB 3.08Å
599	L	64	Low	60.6	Low	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.195	C	C	.	.	I	π-helix	trans	-76.5	-27.6	-173.7	-162.6	111.2	0	0	0	113.5	L505 I508 Y518 L523 I595 P603	L505-L599 HydrophobicContact CD2-CD1 3.38Å; L505-L599 HydrophobicContact CD2-CG 4.1Å; L505-L599 HydrophobicContact CG-CD1 4.5Å; I508-L599 HydrophobicContact CD1-CD1 3.43Å; I508-L599 VanDerWaalsContact CD1-CD1 3.43Å; Y518-L599 HydrophobicContact CD1-CD2 4.47Å; L523-L599 HydrophobicContact CD2-CD1 3.77Å; I595-L599 WeakPolarHBondContact O-CB 3.48Å; I595-L599 PolarHBondContact O-N 3.46Å; L599-P603 WeakPolarHBondContact O-CD 3.13Å; L599-P603 WeakPolarHBondContact O-CG 3.26Å
600	F	65.1	Low	61.6	Low	6 Å²	6	39.2 Å²	39.2	3%	0.026	19%	0.188	C	C	.	.	I	π-helix	trans	-111	-37.2	-179.6	-71.6	-77.7	0	0	0	113.6	Y518 L557 F561 L564 M596 F604	Y518-F600 HydrophobicContact CE1-CE2 4.42Å; L557-F600 HydrophobicContact CD1-CD1 4.17Å; L557-F600 HydrophobicContact CD1-CE1 4.36Å; F561-F600 HydrophobicContact CD2-CD1 4.16Å; F561-F600 AromaticContact CD2-CE1 3.77Å; F561-F600 HydrophobicContact CD2-CE1 3.77Å; L564-F600 HydrophobicContact CD1-CE1 4.22Å; L564-F600 HydrophobicContact CD1-CE2 3.6Å; L564-F600 HydrophobicContact CD1-CZ 3.26Å; L564-F600 HydrophobicContact CG-CZ 4.42Å; M596-F600 HydrophobicContact CE-CD2 3.46Å; M596-F600 VanDerWaalsContact CE-CD2 3.46Å; M596-F600 HydrophobicContact CE-CE2 3.38Å; M596-F600 HydrophobicContact CE-CZ 4.38Å; M596-F600 WeakPolarHBondContact O-CB 3.21Å; M596-F600 PolarHBondContact O-N 3.46Å; M596-F600 HydrophobicContact SD-CD2 3.6Å; M596-F600 HydrophobicContact SD-CE2 3.33Å; M596-F600 WeakPolarHBondContact SD-CE2 3.19Å; F600-F604 WeakPolarHBondContact O-CB 3.35Å; F600-F604 PolarHBondContact O-N 2.76Å
601	F	66	Low	62.6	Low	97 Å²	97	37.2 Å²	37.2	43%	0.425	18%	0.178	S	C	.	.	I	π-helix	trans	-72.1	-48.7	-176	-173.7	-100.9	0	0	0	112	E597 F604 V605	E597-F601 WeakPolarHBondContact O-CA 3.49Å; E597-F601 WeakPolarHBondContact O-CB 3.41Å; E597-F601 PolarHBondContact O-N 2.97Å; F601-F604 WeakPolarHBondContact O-CB 3.12Å; F601-F604 PolarHBondContact O-N 2.83Å; F601-F604 VanDerWaalsContact O-N 3.17Å; F601-V605 HydrophobicContact CD1-CG2 4.06Å; F601-V605 HydrophobicContact CD2-CG2 4.5Å; F601-V605 HydrophobicContact CE1-CG2 3.68Å; F601-V605 HydrophobicContact CE2-CG2 4.15Å; F601-V605 HydrophobicContact CG-CG2 4.45Å; F601-V605 HydrophobicContact CZ-CG2 3.72Å; F601-V605 WeakPolarHBondContact O-CG2 3.33Å; F601-V605 PolarHBondContact O-N 3.41Å
602	L	65	Low	63.5	Low	31 Å²	31	35.8 Å²	35.8	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-56.5	-54.8	178.1	-79.6	157.6	0	0	0	111.4	L497 L501 I504 E598 F604 V605 L606	L497-L602 HydrophobicContact CB-CD2 4.49Å; L497-L602 HydrophobicContact CD2-CD2 3.72Å; L501-L602 HydrophobicContact CD1-CB 4.1Å; I504-L602 HydrophobicContact CD1-CD1 4.14Å; E598-L602 HydrophobicContact CB-CD1 4.18Å; E598-L602 HydrophobicContact CG-CD1 4.48Å; E598-L602 WeakPolarHBondContact O-CB 3.08Å; L602-F604 VanDerWaalsContact C-N 3.27Å; L602-F604 PolarHBondContact O-N 2.99Å; L602-V605 PolarHBondContact O-N 2.94Å; L602-L606 HydrophobicContact CB-CD1 4.43Å; L602-L606 VanDerWaalsContact O-CB 3.25Å; L602-L606 WeakPolarHBondContact O-CB 3.36Å; L602-L606 VanDerWaalsContact O-CD1 3.3Å; L602-L606 WeakPolarHBondContact O-CD1 3.37Å; L602-L606 WeakPolarHBondContact O-CG 3.25Å; L602-L606 PolarHBondContact O-N 3.39Å
603	P	64.4	Low	64.2	Low	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-29.9	177.5	16.1	-22	0	0	0	113.2	L501 F526 L557 L599 F607	L501-P603 HydrophobicContact CD1-CG 4.29Å; L501-P603 HydrophobicContact CD2-CB 3.69Å; L501-P603 HydrophobicContact CD2-CG 3.79Å; F526-P603 HydrophobicContact CE1-CB 4.4Å; F526-P603 HydrophobicContact CE1-CG 4.31Å; F526-P603 HydrophobicContact CZ-CB 3.87Å; F526-P603 HydrophobicContact CZ-CG 4.26Å; L557-P603 HydrophobicContact CD1-CB 4.1Å; L557-P603 HydrophobicContact CD1-CG 4.02Å; L557-P603 HydrophobicContact CD2-CB 4.29Å; L599-P603 WeakPolarHBondContact O-CD 3.13Å; L599-P603 WeakPolarHBondContact O-CG 3.26Å; P603-F607 HydrophobicContact CB-CD2 3.78Å; P603-F607 HydrophobicContact CB-CE2 3.92Å; P603-F607 WeakPolarHBondContact O-CB 3.3Å; P603-F607 WeakPolarHBondContact O-CD2 3.16Å; P603-F607 PolarHBondContact O-N 2.58Å
604	F	67.1	Low	64.7	Low	62 Å²	62	35.1 Å²	35.1	27%	0.272	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-47.8	172.8	171.8	-87.8	0	0	0	112.2	F600 F601 L602 G608 L631 I634	F600-F604 WeakPolarHBondContact O-CB 3.35Å; F600-F604 PolarHBondContact O-N 2.76Å; F601-F604 WeakPolarHBondContact O-CB 3.12Å; F601-F604 PolarHBondContact O-N 2.83Å; F601-F604 VanDerWaalsContact O-N 3.17Å; L602-F604 VanDerWaalsContact C-N 3.27Å; L602-F604 PolarHBondContact O-N 2.99Å; F604-G608 VanDerWaalsContact O-CA 3.28Å; F604-G608 WeakPolarHBondContact O-CA 3.25Å; F604-G608 PolarHBondContact O-N 2.7Å; F604-L631 HydrophobicContact CD2-CB 4.38Å; F604-L631 HydrophobicContact CD2-CD2 3.39Å; F604-L631 HydrophobicContact CD2-CG 4.46Å; F604-L631 HydrophobicContact CE2-CB 3.56Å; F604-L631 HydrophobicContact CE2-CD2 3.35Å; F604-L631 HydrophobicContact CE2-CG 3.99Å; F604-L631 VanDerWaalsContact CE2-O 3.29Å; F604-L631 WeakPolarHBondContact CE2-O 3.43Å; F604-L631 HydrophobicContact CG-CD2 4.35Å; F604-L631 HydrophobicContact CZ-CB 4.29Å; F604-L631 HydrophobicContact CZ-CD2 4.26Å; F604-I634 HydrophobicContact CB-CG2 4.29Å; F604-I634 HydrophobicContact CD2-CB 4.09Å; F604-I634 HydrophobicContact CD2-CD1 4.37Å; F604-I634 HydrophobicContact CD2-CG2 3.79Å; F604-I634 HydrophobicContact CG-CG2 4.31Å
605	V	65.7	Low	65.3	Low	53 Å²	53	29 Å²	29	32%	0.321	15%	0.145	S	C	.	.	H	α-helix	trans	-65.3	-42.8	177.7	174.5	0	0	0	0	110.6	F601 L602 T609	F601-V605 HydrophobicContact CD1-CG2 4.06Å; F601-V605 HydrophobicContact CD2-CG2 4.5Å; F601-V605 HydrophobicContact CE1-CG2 3.68Å; F601-V605 HydrophobicContact CE2-CG2 4.15Å; F601-V605 HydrophobicContact CG-CG2 4.45Å; F601-V605 HydrophobicContact CZ-CG2 3.72Å; F601-V605 WeakPolarHBondContact O-CG2 3.33Å; F601-V605 PolarHBondContact O-N 3.41Å; L602-V605 PolarHBondContact O-N 2.94Å; V605-T609 PolarHBondContact O-OG1 2.75Å
606	L	66.4	Low	65.6	Low	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-54.5	178.5	-78.9	162.5	0	0	0	112.7	Q494 L497 L498 L501 L602	Q494-L606 HydrophobicContact CB-CD2 3.37Å; Q494-L606 HydrophobicContact CG-CD2 3.51Å; Q494-L606 HydrophobicContact CG-CG 4.49Å; L497-L606 HydrophobicContact CB-CD1 4.4Å; L497-L606 HydrophobicContact CB-CD2 4.01Å; L497-L606 HydrophobicContact CB-CG 4.43Å; L498-L606 HydrophobicContact CD2-CD1 4.25Å; L498-L606 HydrophobicContact CD2-CD2 3.83Å; L498-L606 HydrophobicContact CG-CD2 3.79Å; L501-L606 HydrophobicContact CB-CD1 4.43Å; L501-L606 HydrophobicContact CD2-CD1 3.67Å; L602-L606 HydrophobicContact CB-CD1 4.43Å; L602-L606 VanDerWaalsContact O-CB 3.25Å; L602-L606 WeakPolarHBondContact O-CB 3.36Å; L602-L606 VanDerWaalsContact O-CD1 3.3Å; L602-L606 WeakPolarHBondContact O-CD1 3.37Å; L602-L606 WeakPolarHBondContact O-CG 3.25Å; L602-L606 PolarHBondContact O-N 3.39Å
607	F	68.9	Low	65.5	Low	2 Å²	2	35 Å²	35	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-95.5	-28.7	-170.2	-62.1	-62.6	0	0	0	113	L498 F526 L530 Y533 P553 F554 P603 T609 M610 Y611	L498-F607 HydrophobicContact CD2-CE1 4.46Å; L498-F607 HydrophobicContact CD2-CZ 3.88Å; F526-F607 HydrophobicContact CE2-CE2 4.36Å; F526-F607 HydrophobicContact CZ-CE2 4.4Å; L530-F607 HydrophobicContact CD2-CE2 3.66Å; L530-F607 HydrophobicContact CD2-CZ 3.32Å; Y533-F607 HydrophobicContact CD1-CE1 4.44Å; Y533-F607 HydrophobicContact CE1-CE1 4.3Å; P553-F607 HydrophobicContact CB-CD1 4.18Å; P553-F607 HydrophobicContact CB-CD2 4.32Å; P553-F607 HydrophobicContact CB-CE1 3.51Å; P553-F607 HydrophobicContact CB-CE2 3.69Å; P553-F607 HydrophobicContact CB-CZ 3.27Å; P553-F607 HydrophobicContact CG-CE1 3.68Å; P553-F607 HydrophobicContact CG-CZ 3.72Å; F554-F607 HydrophobicContact CD2-CB 4.32Å; P603-F607 HydrophobicContact CB-CD2 3.78Å; P603-F607 HydrophobicContact CB-CE2 3.92Å; P603-F607 WeakPolarHBondContact O-CB 3.3Å; P603-F607 WeakPolarHBondContact O-CD2 3.16Å; P603-F607 PolarHBondContact O-N 2.58Å; F607-T609 VanDerWaalsContact C-N 3.34Å; F607-T609 PolarHBondContact O-N 2.74Å; F607-M610 PolarHBondContact O-N 3.23Å; F607-Y611 HydrophobicContact CB-CD2 4.02Å; F607-Y611 HydrophobicContact CB-CE2 4.31Å; F607-Y611 HydrophobicContact CD1-CE2 4.35Å; F607-Y611 WeakPolarHBondContact O-CB 3.45Å; F607-Y611 VanDerWaalsContact O-CD2 3.25Å; F607-Y611 WeakPolarHBondContact O-CD2 3.22Å; F607-Y611 PolarHBondContact O-N 2.82Å
608	G	70.4	Confident	65.9	Low	4 Å²	4	34.4 Å²	34.4	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-48.5	-177.7	0	0	0	0	0	112	F604 Y611 L612	F604-G608 VanDerWaalsContact O-CA 3.28Å; F604-G608 WeakPolarHBondContact O-CA 3.25Å; F604-G608 PolarHBondContact O-N 2.7Å; G608-Y611 PolarHBondContact O-N 3.48Å; G608-L612 WeakPolarHBondContact O-CB 3.45Å; G608-L612 VanDerWaalsContact O-CG 3.22Å; G608-L612 WeakPolarHBondContact O-CG 3.39Å; G608-L612 PolarHBondContact O-N 2.81Å
609	T	66.8	Low	66.1	Low	66 Å²	66	37.3 Å²	37.3	41%	0.405	18%	0.183	S	C	.	.	H	α-helix	trans	-61.9	-47.3	177.3	-48.1	0	0	0	0	111.5	V605 F607 Y611 L612 I613	V605-T609 PolarHBondContact O-OG1 2.75Å; F607-T609 VanDerWaalsContact C-N 3.34Å; F607-T609 PolarHBondContact O-N 2.74Å; T609-Y611 PolarHBondContact O-N 3.2Å; T609-L612 PolarHBondContact O-N 3.36Å; T609-I613 HydrophobicContact CG2-CD1 3.94Å; T609-I613 WeakPolarHBondContact O-CB 3.35Å; T609-I613 WeakPolarHBondContact O-CD1 3.43Å; T609-I613 WeakPolarHBondContact O-CG1 3.27Å; T609-I613 PolarHBondContact O-N 3.29Å
610	M	67	Low	66.5	Low	4 Å²	4	40.4 Å²	40.4	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-39.2	-178.8	-68.6	-152.6	65.9	0	0	113.2	L491 Y533 L544 F607 T614	L491-M610 HydrophobicContact CD1-CE 3.8Å; L491-M610 HydrophobicContact CD2-CE 3.73Å; L491-M610 HydrophobicContact CD2-SD 3.61Å; L491-M610 HydrophobicContact CG-CE 3.64Å; L491-M610 HydrophobicContact CG-SD 3.79Å; Y533-M610 HydrophobicContact CE1-SD 4.33Å; Y533-M610 WeakPolarHBondContact OH-CE 3.41Å; Y533-M610 PolarHBondContact OH-SD 3.47Å; L544-M610 HydrophobicContact CD1-CE 3.52Å; F607-M610 PolarHBondContact O-N 3.23Å; M610-T614 WeakPolarHBondContact O-CB 3.13Å; M610-T614 PolarHBondContact O-N 3.13Å; M610-T614 PolarHBondContact O-OG1 2.86Å
611	Y	70.4	Confident	67	Low	14 Å²	14	45.9 Å²	45.9	6%	0.055	23%	0.229	C	C	.	.	H	α-helix	trans	-73.5	-38.2	180	-88.1	-102.9	0	0	0	112.4	L548 D552 F554 F607 G608 T609 I613 T614 A615 F623	L548-Y611 HydrophobicContact CD2-CD2 4.5Å; L548-Y611 HydrophobicContact CD2-CE2 4.07Å; D552-Y611 PolarHBondContact OD1-OH 3.17Å; F554-Y611 HydrophobicContact CB-CD1 4.44Å; F554-Y611 HydrophobicContact CB-CD2 4.27Å; F554-Y611 HydrophobicContact CB-CE1 3.66Å; F554-Y611 HydrophobicContact CB-CE2 3.44Å; F554-Y611 VanDerWaalsContact CB-CE2 3.44Å; F554-Y611 WeakPolarHBondContact CB-OH 3.42Å; F554-Y611 AromaticContact CD1-CD1 3.59Å; F554-Y611 HydrophobicContact CD1-CD1 3.59Å; F554-Y611 AromaticContact CD1-CE1 3.2Å; F554-Y611 HydrophobicContact CD1-CE1 3.2Å; F554-Y611 HydrophobicContact CD1-CE2 4.39Å; F554-Y611 HydrophobicContact CD1-CG 4.36Å; F554-Y611 AromaticContact CD1-CZ 3.68Å; F554-Y611 HydrophobicContact CD2-CD1 4.15Å; F554-Y611 HydrophobicContact CD2-CD2 4.05Å; F554-Y611 HydrophobicContact CD2-CE1 4.19Å; F554-Y611 HydrophobicContact CD2-CE2 4.07Å; F554-Y611 HydrophobicContact CD2-CG 4.11Å; F554-Y611 AromaticContact CE1-CD1 3.6Å; F554-Y611 HydrophobicContact CE1-CD1 3.6Å; F554-Y611 AromaticContact CE1-CE1 3.7Å; F554-Y611 HydrophobicContact CE1-CE1 3.7Å; F554-Y611 HydrophobicContact CE1-CG 4.37Å; F554-Y611 HydrophobicContact CE2-CD1 4.22Å; F554-Y611 HydrophobicContact CE2-CG 4.19Å; F554-Y611 AromaticContact CG-CD1 3.86Å; F554-Y611 HydrophobicContact CG-CD1 3.86Å; F554-Y611 HydrophobicContact CG-CD2 4.15Å; F554-Y611 AromaticContact CG-CE1 3.47Å; F554-Y611 HydrophobicContact CG-CE1 3.47Å; F554-Y611 VanDerWaalsContact CG-CE1 3.47Å; F554-Y611 AromaticContact CG-CE2 3.78Å; F554-Y611 HydrophobicContact CG-CE2 3.78Å; F554-Y611 HydrophobicContact CG-CG 4.21Å; F554-Y611 AromaticContact CG-CZ 3.45Å; F554-Y611 VanDerWaalsContact CG-CZ 3.45Å; F554-Y611 AromaticContact CZ-CD1 3.96Å; F554-Y611 HydrophobicContact CZ-CD1 3.96Å; F554-Y611 HydrophobicContact CZ-CE1 4.42Å; F554-Y611 HydrophobicContact CZ-CG 4.32Å; F607-Y611 HydrophobicContact CB-CD2 4.02Å; F607-Y611 HydrophobicContact CB-CE2 4.31Å; F607-Y611 HydrophobicContact CD1-CE2 4.35Å; F607-Y611 WeakPolarHBondContact O-CB 3.45Å; F607-Y611 VanDerWaalsContact O-CD2 3.25Å; F607-Y611 WeakPolarHBondContact O-CD2 3.22Å; F607-Y611 PolarHBondContact O-N 2.82Å; G608-Y611 PolarHBondContact O-N 3.48Å; T609-Y611 PolarHBondContact O-N 3.2Å; Y611-I613 VanDerWaalsContact C-N 3.34Å; Y611-T614 WeakPolarHBondContact O-CB 3.15Å; Y611-T614 PolarHBondContact O-N 3.18Å; Y611-A615 WeakPolarHBondContact O-CB 3.45Å; Y611-A615 PolarHBondContact O-N 2.89Å; Y611-F623 AromaticContact CD1-CE1 3.97Å; Y611-F623 HydrophobicContact CD1-CE1 3.97Å; Y611-F623 AromaticContact CD1-CZ 3.52Å; Y611-F623 HydrophobicContact CD1-CZ 3.52Å; Y611-F623 AromaticContact CE1-CZ 3.79Å; Y611-F623 HydrophobicContact CE1-CZ 3.79Å
612	L	70	Confident	67.5	Low	51 Å²	51	47.5 Å²	47.5	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-44.5	172.7	-71.8	169.8	0	0	0	111	G608 T609 T614 A615 E616 F624 T627 S628 L631	G608-L612 WeakPolarHBondContact O-CB 3.45Å; G608-L612 VanDerWaalsContact O-CG 3.22Å; G608-L612 WeakPolarHBondContact O-CG 3.39Å; G608-L612 PolarHBondContact O-N 2.81Å; T609-L612 PolarHBondContact O-N 3.36Å; L612-T614 VanDerWaalsContact C-N 3.31Å; L612-T614 PolarHBondContact O-N 2.99Å; L612-A615 PolarHBondContact O-N 3.33Å; L612-E616 WeakPolarHBondContact O-CB 3.28Å; L612-E616 PolarHBondContact O-N 2.98Å; L612-F624 HydrophobicContact CB-CE2 4.41Å; L612-F624 HydrophobicContact CD2-CD2 4.01Å; L612-F624 HydrophobicContact CD2-CE2 3.6Å; L612-F624 HydrophobicContact CD2-CZ 3.92Å; L612-T627 HydrophobicContact CD2-CG2 4.31Å; L612-T627 HydrophobicContact CG-CG2 4.49Å; L612-S628 WeakPolarHBondContact CD2-OG 3.36Å; L612-L631 HydrophobicContact CD1-CD1 3.87Å; L612-L631 HydrophobicContact CD2-CD1 4.25Å; L612-L631 HydrophobicContact CG-CD1 3.92Å
613	I	64.4	Low	67.8	Low	8 Å²	8	48 Å²	48	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-46	172.9	-69.6	165.1	0	0	0	110.2	C483 K486 A487 L544 T609 Y611 A615 E616 L617	C483-I613 HydrophobicContact CB-CG2 3.94Å; C483-I613 WeakPolarHBondContact O-CG2 3.27Å; K486-I613 HydrophobicContact CB-CD1 3.62Å; A487-I613 HydrophobicContact CB-CD1 4.15Å; A487-I613 HydrophobicContact CB-CG2 4.18Å; L544-I613 HydrophobicContact CD2-CG2 4.37Å; T609-I613 HydrophobicContact CG2-CD1 3.94Å; T609-I613 WeakPolarHBondContact O-CB 3.35Å; T609-I613 WeakPolarHBondContact O-CD1 3.43Å; T609-I613 WeakPolarHBondContact O-CG1 3.27Å; T609-I613 PolarHBondContact O-N 3.29Å; Y611-I613 VanDerWaalsContact C-N 3.34Å; I613-A615 PolarHBondContact O-N 2.87Å; I613-E616 PolarHBondContact O-N 3.37Å; I613-L617 HydrophobicContact CG2-CD1 3.67Å; I613-L617 HydrophobicContact CG2-CG 4.07Å; I613-L617 WeakPolarHBondContact O-CB 3.29Å; I613-L617 WeakPolarHBondContact O-CG 3.47Å; I613-L617 PolarHBondContact O-N 3.47Å
614	T	64.4	Low	68.1	Low	10 Å²	10	51.9 Å²	51.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-43.6	179.4	-53.1	0	0	0	0	112.8	L548 M610 Y611 L612 E616 L617 Q618	L548-T614 HydrophobicContact CD1-CG2 3.57Å; L548-T614 WeakPolarHBondContact CD1-OG1 3.39Å; M610-T614 WeakPolarHBondContact O-CB 3.13Å; M610-T614 PolarHBondContact O-N 3.13Å; M610-T614 PolarHBondContact O-OG1 2.86Å; Y611-T614 WeakPolarHBondContact O-CB 3.15Å; Y611-T614 PolarHBondContact O-N 3.18Å; L612-T614 VanDerWaalsContact C-N 3.31Å; L612-T614 PolarHBondContact O-N 2.99Å; T614-E616 VanDerWaalsContact C-N 3.31Å; T614-E616 PolarHBondContact O-N 3.41Å; T614-L617 WeakPolarHBondContact O-CB 3.17Å; T614-L617 PolarHBondContact O-N 2.87Å; T614-Q618 HydrophobicContact CG2-CG 4.48Å; T614-Q618 WeakPolarHBondContact O-CG 3.47Å; T614-Q618 PolarHBondContact O-N 2.58Å
615	A	68	Low	68.5	Low	1 Å²	1	55.4 Å²	55.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-41.5	179.4	0	0	0	0	0	111.4	Y611 L612 I613 Q618 K619 D620 F623 F624	Y611-A615 WeakPolarHBondContact O-CB 3.45Å; Y611-A615 PolarHBondContact O-N 2.89Å; L612-A615 PolarHBondContact O-N 3.33Å; I613-A615 PolarHBondContact O-N 2.87Å; A615-Q618 PolarHBondContact O-N 3.37Å; A615-K619 PolarHBondContact O-N 3.26Å; A615-K619 VanDerWaalsContact O-N 3.17Å; A615-D620 PolarHBondContact O-N 2.87Å; A615-D620 VanDerWaalsContact O-N 3.15Å; A615-F623 HydrophobicContact CB-CD1 3.53Å; A615-F623 HydrophobicContact CB-CE1 4.17Å; A615-F624 HydrophobicContact CB-CB 3.66Å; A615-F624 HydrophobicContact CB-CD2 3.88Å; A615-F624 HydrophobicContact CB-CG 4.26Å
616	E	64.9	Low	68.9	Low	112 Å²	112	57.6 Å²	57.6	52%	0.523	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-42.3	174.1	-168.1	167.2	-159.4	0	0	111.5	L612 I613 T614 Q618 K619	L612-E616 WeakPolarHBondContact O-CB 3.28Å; L612-E616 PolarHBondContact O-N 2.98Å; I613-E616 PolarHBondContact O-N 3.37Å; T614-E616 VanDerWaalsContact C-N 3.31Å; T614-E616 PolarHBondContact O-N 3.41Å; E616-Q618 VanDerWaalsContact C-N 3.35Å; E616-Q618 PolarHBondContact O-N 3.39Å; E616-K619 PolarHBondContact O-N 2.92Å
617	L	56.2	Low	68.9	Low	31 Å²	31	57.4 Å²	57.4	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-37.8	175.5	-69.3	170.1	0	0	0	112.8	L479 C483 L544 I613 T614 K619	L479-L617 HydrophobicContact CD1-CB 4.43Å; L479-L617 HydrophobicContact CD1-CD2 3.3Å; L479-L617 HydrophobicContact CD1-CG 4.45Å; L479-L617 HydrophobicContact CD2-CD2 3.58Å; L479-L617 HydrophobicContact CG-CD2 3.43Å; L479-L617 VanDerWaalsContact CG-CD2 3.43Å; C483-L617 HydrophobicContact CB-CD2 3.78Å; C483-L617 HydrophobicContact CB-CG 4.3Å; L544-L617 HydrophobicContact CD2-CD1 3.43Å; L544-L617 VanDerWaalsContact CD2-CD1 3.43Å; I613-L617 HydrophobicContact CG2-CD1 3.67Å; I613-L617 HydrophobicContact CG2-CG 4.07Å; I613-L617 WeakPolarHBondContact O-CB 3.29Å; I613-L617 WeakPolarHBondContact O-CG 3.47Å; I613-L617 PolarHBondContact O-N 3.47Å; T614-L617 WeakPolarHBondContact O-CB 3.17Å; T614-L617 PolarHBondContact O-N 2.87Å; L617-K619 VanDerWaalsContact C-N 3.3Å
618	Q	66.3	Low	68.9	Low	76 Å²	76	58.6 Å²	58.6	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-83.1	-6.9	180	-70.2	-178.8	-0.5	0	0	113.3	T614 A615 E616 D620	T614-Q618 HydrophobicContact CG2-CG 4.48Å; T614-Q618 WeakPolarHBondContact O-CG 3.47Å; T614-Q618 PolarHBondContact O-N 2.58Å; A615-Q618 PolarHBondContact O-N 3.37Å; E616-Q618 VanDerWaalsContact C-N 3.35Å; E616-Q618 PolarHBondContact O-N 3.39Å; Q618-D620 HydrophobicContact CB-CB 4.1Å; Q618-D620 PolarHBondContact O-N 3.49Å; Q618-D620 VanDerWaalsContact O-N 3.15Å
619	K	66.6	Low	69	Low	151 Å²	151	63 Å²	63	66%	0.657	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	30.9	-168	-59.1	177.1	-176.6	164.6	0	112.1	A615 E616 L617 D621	A615-K619 PolarHBondContact O-N 3.26Å; A615-K619 VanDerWaalsContact O-N 3.17Å; E616-K619 PolarHBondContact O-N 2.92Å; L617-K619 VanDerWaalsContact C-N 3.3Å; K619-D621 PolarHBondContact O-N 3.46Å
620	D	72.9	Confident	69.1	Low	66 Å²	66	61.1 Å²	61.1	35%	0.353	29%	0.294	S	S	.	.			trans	-92.4	82.5	179.1	-171	-17	0	0	0	108.3	A615 Q618 Q622 F623 F624	A615-D620 PolarHBondContact O-N 2.87Å; A615-D620 VanDerWaalsContact O-N 3.15Å; Q618-D620 HydrophobicContact CB-CB 4.1Å; Q618-D620 PolarHBondContact O-N 3.49Å; Q618-D620 VanDerWaalsContact O-N 3.15Å; D620-Q622 PolarHBondContact O-N 3.01Å; D620-Q622 VanDerWaalsContact O-N 3.13Å; D620-Q622 WeakPolarHBondContact OD1-CB 3.43Å; D620-Q622 PolarHBondContact OD1-N 3.29Å; D620-Q622 VanDerWaalsContact OD1-N 3.14Å; D620-F623 HydrophobicContact CB-CB 3.81Å; D620-F623 PolarHBondContact O-N 3.02Å; D620-F623 VanDerWaalsContact O-N 3.16Å; D620-F623 PolarHBondContact OD1-N 2.82Å; D620-F623 WeakPolarHBondContact OD2-CB 3.4Å; D620-F624 PolarHBondContact O-N 3.46Å
621	D	74.8	Confident	69.1	Low	121 Å²	121	61.6 Å²	61.6	65%	0.647	30%	0.297	S	S	*	.	H	α-helix	trans	-54.8	-29.7	177.7	-79	-17.1	0	0	0	112.2	K619 K625	K619-D621 PolarHBondContact O-N 3.46Å; D621-K625 WeakPolarHBondContact O-CB 3.24Å; D621-K625 VanDerWaalsContact O-CG 3.26Å; D621-K625 WeakPolarHBondContact O-CG 3.07Å; D621-K625 PolarHBondContact O-N 3.13Å
622	Q	77.6	Confident	69	Low	132 Å²	132	66 Å²	66	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-74.2	-48.5	179	-177.6	138	-12.1	0	0	110.5	D620 F624 K625 E626	D620-Q622 PolarHBondContact O-N 3.01Å; D620-Q622 VanDerWaalsContact O-N 3.13Å; D620-Q622 WeakPolarHBondContact OD1-CB 3.43Å; D620-Q622 PolarHBondContact OD1-N 3.29Å; D620-Q622 VanDerWaalsContact OD1-N 3.14Å; Q622-F624 VanDerWaalsContact C-N 3.27Å; Q622-F624 PolarHBondContact O-N 3.19Å; Q622-K625 PolarHBondContact O-N 3.38Å; Q622-E626 HydrophobicContact CG-CG 4.49Å; Q622-E626 PolarHBondContact NE2-OE1 3.04Å; Q622-E626 WeakPolarHBondContact O-CB 3.43Å; Q622-E626 WeakPolarHBondContact O-CG 3.36Å; Q622-E626 PolarHBondContact O-N 2.91Å
623	F	71.3	Confident	68.8	Low	42 Å²	42	66.4 Å²	66.4	18%	0.184	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-36.8	173.3	-174.6	-107.2	0	0	0	112	Y611 A615 D620 T627	Y611-F623 AromaticContact CD1-CE1 3.97Å; Y611-F623 HydrophobicContact CD1-CE1 3.97Å; Y611-F623 AromaticContact CD1-CZ 3.52Å; Y611-F623 HydrophobicContact CD1-CZ 3.52Å; Y611-F623 AromaticContact CE1-CZ 3.79Å; Y611-F623 HydrophobicContact CE1-CZ 3.79Å; A615-F623 HydrophobicContact CB-CD1 3.53Å; A615-F623 HydrophobicContact CB-CE1 4.17Å; D620-F623 HydrophobicContact CB-CB 3.81Å; D620-F623 PolarHBondContact O-N 3.02Å; D620-F623 VanDerWaalsContact O-N 3.16Å; D620-F623 PolarHBondContact OD1-N 2.82Å; D620-F623 WeakPolarHBondContact OD2-CB 3.4Å; F623-T627 WeakPolarHBondContact O-CB 3.41Å; F623-T627 PolarHBondContact O-N 3.3Å; F623-T627 PolarHBondContact O-OG1 3.38Å
624	F	70	Confident	68.7	Low	80 Å²	80	66.3 Å²	66.3	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-47.8	173.8	-175	-87.3	0	0	0	111.3	L612 A615 D620 Q622 S628	L612-F624 HydrophobicContact CB-CE2 4.41Å; L612-F624 HydrophobicContact CD2-CD2 4.01Å; L612-F624 HydrophobicContact CD2-CE2 3.6Å; L612-F624 HydrophobicContact CD2-CZ 3.92Å; A615-F624 HydrophobicContact CB-CB 3.66Å; A615-F624 HydrophobicContact CB-CD2 3.88Å; A615-F624 HydrophobicContact CB-CG 4.26Å; D620-F624 PolarHBondContact O-N 3.46Å; Q622-F624 VanDerWaalsContact C-N 3.27Å; Q622-F624 PolarHBondContact O-N 3.19Å; F624-S628 WeakPolarHBondContact CE1-OG 3.48Å; F624-S628 WeakPolarHBondContact O-CB 3.4Å; F624-S628 PolarHBondContact O-N 3.27Å; F624-S628 PolarHBondContact O-OG 3.22Å
625	K	76.7	Confident	68.6	Low	136 Å²	136	66.9 Å²	66.9	59%	0.591	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-44.6	177.8	-79.4	172.2	-177	169.2	0	112	D621 Q622 S628 N629	D621-K625 WeakPolarHBondContact O-CB 3.24Å; D621-K625 VanDerWaalsContact O-CG 3.26Å; D621-K625 WeakPolarHBondContact O-CG 3.07Å; D621-K625 PolarHBondContact O-N 3.13Å; Q622-K625 PolarHBondContact O-N 3.38Å; K625-S628 PolarHBondContact O-N 3.09Å; K625-N629 VanDerWaalsContact O-CB 3.26Å; K625-N629 WeakPolarHBondContact O-CB 3.4Å; K625-N629 PolarHBondContact O-N 3.25Å; K625-N629 PolarHBondContact O-ND2 3.27Å
626	E	72.2	Confident	68.5	Low	99 Å²	99	72.6 Å²	72.6	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-45.3	177.7	-74.9	179.5	-167	0	0	111.3	Q622 N629 F630	Q622-E626 HydrophobicContact CG-CG 4.49Å; Q622-E626 PolarHBondContact NE2-OE1 3.04Å; Q622-E626 WeakPolarHBondContact O-CB 3.43Å; Q622-E626 WeakPolarHBondContact O-CG 3.36Å; Q622-E626 PolarHBondContact O-N 2.91Å; E626-N629 PolarHBondContact O-N 2.85Å; E626-F630 VanDerWaalsContact O-CB 3.3Å; E626-F630 WeakPolarHBondContact O-CB 3.44Å; E626-F630 PolarHBondContact O-N 2.85Å
627	T	66.8	Low	68.2	Low	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-49.6	175.6	-62.1	0	0	0	0	110.7	F554 L612 F623 N629 F630 L631	F554-T627 HydrophobicContact CZ-CG2 4.25Å; L612-T627 HydrophobicContact CD2-CG2 4.31Å; L612-T627 HydrophobicContact CG-CG2 4.49Å; F623-T627 WeakPolarHBondContact O-CB 3.41Å; F623-T627 PolarHBondContact O-N 3.3Å; F623-T627 PolarHBondContact O-OG1 3.38Å; T627-N629 VanDerWaalsContact C-N 3.33Å; T627-N629 PolarHBondContact O-N 2.66Å; T627-F630 PolarHBondContact O-N 2.91Å; T627-L631 HydrophobicContact CG2-CD1 3.92Å; T627-L631 HydrophobicContact CG2-CG 4.31Å; T627-L631 WeakPolarHBondContact O-CB 3.5Å; T627-L631 WeakPolarHBondContact O-CG 3.15Å; T627-L631 PolarHBondContact O-N 3.09Å
628	S	69.6	Low	68.3	Low	27 Å²	27	68.3 Å²	68.3	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-59.1	-42.9	177.8	-66.4	0	0	0	0	112.2	L612 F624 K625 L631 L632	L612-S628 WeakPolarHBondContact CD2-OG 3.36Å; F624-S628 WeakPolarHBondContact CE1-OG 3.48Å; F624-S628 WeakPolarHBondContact O-CB 3.4Å; F624-S628 PolarHBondContact O-N 3.27Å; F624-S628 PolarHBondContact O-OG 3.22Å; K625-S628 PolarHBondContact O-N 3.09Å; S628-L631 PolarHBondContact O-N 3.37Å; S628-L632 WeakPolarHBondContact O-CB 3.2Å; S628-L632 VanDerWaalsContact O-CG 3.28Å; S628-L632 WeakPolarHBondContact O-CG 3.46Å; S628-L632 PolarHBondContact O-N 3.02Å
629	N	72.2	Confident	68	Low	95 Å²	95	71.8 Å²	71.8	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-42.8	176.5	-82.2	-24.6	0	0	0	112.2	K625 E626 T627 L631 L632 N633	K625-N629 VanDerWaalsContact O-CB 3.26Å; K625-N629 WeakPolarHBondContact O-CB 3.4Å; K625-N629 PolarHBondContact O-N 3.25Å; K625-N629 PolarHBondContact O-ND2 3.27Å; E626-N629 PolarHBondContact O-N 2.85Å; T627-N629 VanDerWaalsContact C-N 3.33Å; T627-N629 PolarHBondContact O-N 2.66Å; N629-L631 VanDerWaalsContact C-N 3.34Å; N629-L632 PolarHBondContact O-N 3.44Å; N629-N633 WeakPolarHBondContact O-CB 3.36Å; N629-N633 VanDerWaalsContact O-CG 3.27Å; N629-N633 PolarHBondContact O-N 2.91Å; N629-N633 PolarHBondContact O-ND2 2.65Å
630	F	68.2	Low	67.6	Low	28 Å²	28	67.4 Å²	67.4	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-45.3	174.9	178.2	-109.7	0	0	0	111.2	F554 L557 K558 F561 E626 T627 N633 I634	F554-F630 HydrophobicContact CD2-CE1 4.37Å; F554-F630 AromaticContact CE2-CD1 3.69Å; F554-F630 HydrophobicContact CE2-CD1 3.69Å; F554-F630 AromaticContact CE2-CE1 3.65Å; F554-F630 HydrophobicContact CE2-CE1 3.65Å; F554-F630 AromaticContact CZ-CD1 3.58Å; F554-F630 HydrophobicContact CZ-CD1 3.58Å; F554-F630 AromaticContact CZ-CE1 3.89Å; F554-F630 HydrophobicContact CZ-CE1 3.89Å; L557-F630 HydrophobicContact CD2-CE1 4.2Å; L557-F630 HydrophobicContact CG-CE1 4.48Å; L557-F630 HydrophobicContact CG-CZ 4.41Å; K558-F630 HydrophobicContact CB-CZ 4.42Å; K558-F630 HydrophobicContact CG-CE1 4.06Å; K558-F630 HydrophobicContact CG-CE2 3.97Å; K558-F630 HydrophobicContact CG-CZ 3.69Å; F561-F630 HydrophobicContact CB-CE2 4.16Å; F561-F630 HydrophobicContact CB-CZ 4.37Å; F561-F630 HydrophobicContact CD1-CE2 4.13Å; F561-F630 HydrophobicContact CG-CE2 4.14Å; E626-F630 VanDerWaalsContact O-CB 3.3Å; E626-F630 WeakPolarHBondContact O-CB 3.44Å; E626-F630 PolarHBondContact O-N 2.85Å; T627-F630 PolarHBondContact O-N 2.91Å; F630-N633 PolarHBondContact O-N 3.02Å; F630-I634 HydrophobicContact CD1-CD1 3.86Å; F630-I634 HydrophobicContact CE1-CD1 3.35Å; F630-I634 HydrophobicContact CE1-CG1 4.38Å; F630-I634 HydrophobicContact CE2-CD1 4.23Å; F630-I634 HydrophobicContact CE2-CG1 4.48Å; F630-I634 HydrophobicContact CZ-CD1 3.56Å; F630-I634 HydrophobicContact CZ-CG1 4.26Å; F630-I634 PolarHBondContact O-N 3.45Å
631	L	67.5	Low	66.6	Low	14 Å²	14	66.7 Å²	66.7	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-45.8	175.6	-71	175.6	0	0	0	111.6	F604 L612 T627 S628 N629 N633 I634 G635	F604-L631 HydrophobicContact CD2-CB 4.38Å; F604-L631 HydrophobicContact CD2-CD2 3.39Å; F604-L631 HydrophobicContact CD2-CG 4.46Å; F604-L631 HydrophobicContact CE2-CB 3.56Å; F604-L631 HydrophobicContact CE2-CD2 3.35Å; F604-L631 HydrophobicContact CE2-CG 3.99Å; F604-L631 VanDerWaalsContact CE2-O 3.29Å; F604-L631 WeakPolarHBondContact CE2-O 3.43Å; F604-L631 HydrophobicContact CG-CD2 4.35Å; F604-L631 HydrophobicContact CZ-CB 4.29Å; F604-L631 HydrophobicContact CZ-CD2 4.26Å; L612-L631 HydrophobicContact CD1-CD1 3.87Å; L612-L631 HydrophobicContact CD2-CD1 4.25Å; L612-L631 HydrophobicContact CG-CD1 3.92Å; T627-L631 HydrophobicContact CG2-CD1 3.92Å; T627-L631 HydrophobicContact CG2-CG 4.31Å; T627-L631 WeakPolarHBondContact O-CB 3.5Å; T627-L631 WeakPolarHBondContact O-CG 3.15Å; T627-L631 PolarHBondContact O-N 3.09Å; S628-L631 PolarHBondContact O-N 3.37Å; N629-L631 VanDerWaalsContact C-N 3.34Å; L631-N633 VanDerWaalsContact C-N 3.31Å; L631-N633 PolarHBondContact O-N 3.46Å; L631-I634 PolarHBondContact O-N 2.88Å; L631-G635 PolarHBondContact O-N 3.48Å
632	L	67.8	Low	65.5	Low	106 Å²	106	66.4 Å²	66.4	56%	0.555	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-39.2	175.2	-76.2	167.3	0	0	0	112.3	S628 N629 G635 K636	S628-L632 WeakPolarHBondContact O-CB 3.2Å; S628-L632 VanDerWaalsContact O-CG 3.28Å; S628-L632 WeakPolarHBondContact O-CG 3.46Å; S628-L632 PolarHBondContact O-N 3.02Å; N629-L632 PolarHBondContact O-N 3.44Å; L632-G635 PolarHBondContact O-N 2.81Å; L632-K636 WeakPolarHBondContact O-CG 3.31Å; L632-K636 PolarHBondContact O-N 3.1Å
633	N	66.6	Low	64.4	Low	60 Å²	60	63.9 Å²	63.9	32%	0.321	30%	0.302	S	S	.	.	H	α-helix	trans	-69.5	-40	178.3	-72.7	-20.7	0	0	0	112.3	N629 F630 L631 G635 K636 V637	N629-N633 WeakPolarHBondContact O-CB 3.36Å; N629-N633 VanDerWaalsContact O-CG 3.27Å; N629-N633 PolarHBondContact O-N 2.91Å; N629-N633 PolarHBondContact O-ND2 2.65Å; F630-N633 PolarHBondContact O-N 3.02Å; L631-N633 VanDerWaalsContact C-N 3.31Å; L631-N633 PolarHBondContact O-N 3.46Å; N633-G635 VanDerWaalsContact C-N 3.28Å; N633-G635 PolarHBondContact O-N 2.83Å; N633-K636 WeakPolarHBondContact O-CB 3.26Å; N633-K636 PolarHBondContact O-N 2.93Å; N633-K636 VanDerWaalsContact O-N 3.16Å; N633-K636 PolarHBondContact OD1-NZ 3.31Å; N633-V637 PolarHBondContact O-N 3.06Å
634	I	62.2	Low	63.3	Low	5 Å²	5	63.7 Å²	63.7	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-46.3	169.2	-70.8	170.3	0	0	0	109.9	L557 F561 F604 F630 L631 K636 V637 F638	L557-I634 HydrophobicContact CD2-CD1 4.28Å; F561-I634 HydrophobicContact CD2-CG1 3.99Å; F561-I634 HydrophobicContact CE2-CB 4.42Å; F561-I634 HydrophobicContact CE2-CG1 3.69Å; F561-I634 HydrophobicContact CZ-CG1 4.18Å; F604-I634 HydrophobicContact CB-CG2 4.29Å; F604-I634 HydrophobicContact CD2-CB 4.09Å; F604-I634 HydrophobicContact CD2-CD1 4.37Å; F604-I634 HydrophobicContact CD2-CG2 3.79Å; F604-I634 HydrophobicContact CG-CG2 4.31Å; F630-I634 HydrophobicContact CD1-CD1 3.86Å; F630-I634 HydrophobicContact CE1-CD1 3.35Å; F630-I634 HydrophobicContact CE1-CG1 4.38Å; F630-I634 HydrophobicContact CE2-CD1 4.23Å; F630-I634 HydrophobicContact CE2-CG1 4.48Å; F630-I634 HydrophobicContact CZ-CD1 3.56Å; F630-I634 HydrophobicContact CZ-CG1 4.26Å; F630-I634 PolarHBondContact O-N 3.45Å; L631-I634 PolarHBondContact O-N 2.88Å; I634-K636 VanDerWaalsContact C-N 3.28Å; I634-K636 PolarHBondContact O-N 3.2Å; I634-V637 PolarHBondContact O-N 3.33Å; I634-F638 WeakPolarHBondContact O-CB 3.17Å; I634-F638 PolarHBondContact O-N 3.4Å
635	G	62.4	Low	62.2	Low	22 Å²	22	61.1 Å²	61.1	23%	0.227	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-36.2	176.7	0	0	0	0	0	113.4	L631 L632 N633 R639	L631-G635 PolarHBondContact O-N 3.48Å; L632-G635 PolarHBondContact O-N 2.81Å; N633-G635 VanDerWaalsContact C-N 3.28Å; N633-G635 PolarHBondContact O-N 2.83Å; G635-R639 VanDerWaalsContact O-CB 3.26Å; G635-R639 WeakPolarHBondContact O-CB 3.39Å; G635-R639 PolarHBondContact O-N 3.05Å
636	K	66	Low	60.5	Low	122 Å²	122	60 Å²	60	53%	0.53	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-47.6	174.4	-71.2	172.4	-172.6	167.5	0	112.2	L632 N633 I634 F638 R639 F640	L632-K636 WeakPolarHBondContact O-CG 3.31Å; L632-K636 PolarHBondContact O-N 3.1Å; N633-K636 WeakPolarHBondContact O-CB 3.26Å; N633-K636 PolarHBondContact O-N 2.93Å; N633-K636 VanDerWaalsContact O-N 3.16Å; N633-K636 PolarHBondContact OD1-NZ 3.31Å; I634-K636 VanDerWaalsContact C-N 3.28Å; I634-K636 PolarHBondContact O-N 3.2Å; K636-F638 VanDerWaalsContact C-N 3.34Å; K636-R639 PolarHBondContact O-N 3.23Å; K636-F640 WeakPolarHBondContact O-CB 3.34Å; K636-F640 PolarHBondContact O-N 3.41Å
637	V	59.1	Low	59.1	Low	12 Å²	12	59.4 Å²	59.4	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-43.3	178	171.5	0	0	0	0	110.4	F561 A566 N633 I634 F640 Y641	F561-V637 HydrophobicContact CE2-CB 4.15Å; F561-V637 HydrophobicContact CE2-CG1 4.3Å; F561-V637 HydrophobicContact CE2-CG2 4.11Å; F561-V637 HydrophobicContact CZ-CB 4.08Å; F561-V637 HydrophobicContact CZ-CG2 3.56Å; A566-V637 HydrophobicContact CB-CG2 4.5Å; N633-V637 PolarHBondContact O-N 3.06Å; I634-V637 PolarHBondContact O-N 3.33Å; V637-F640 WeakPolarHBondContact O-CB 3.28Å; V637-F640 PolarHBondContact O-N 3.3Å; V637-Y641 HydrophobicContact CG1-CD2 3.66Å; V637-Y641 HydrophobicContact CG1-CE2 3.68Å; V637-Y641 WeakPolarHBondContact O-CD2 3.41Å; V637-Y641 PolarHBondContact O-N 3.38Å
638	F	57.9	Low	57.8	Low	40 Å²	40	62.1 Å²	62.1	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-48.9	173.8	177.9	-101.9	0	0	0	111.6	E597 I634 K636 F640 Y641 K642	E597-F638 HydrophobicContact CB-CE2 3.91Å; E597-F638 HydrophobicContact CG-CE2 3.71Å; E597-F638 HydrophobicContact CG-CZ 4.01Å; I634-F638 WeakPolarHBondContact O-CB 3.17Å; I634-F638 PolarHBondContact O-N 3.4Å; K636-F638 VanDerWaalsContact C-N 3.34Å; F638-F640 PolarHBondContact O-N 3.22Å; F638-Y641 PolarHBondContact O-N 2.9Å; F638-K642 HydrophobicContact CE1-CB 4.22Å; F638-K642 HydrophobicContact CE1-CD 3.66Å; F638-K642 HydrophobicContact CZ-CB 4.25Å; F638-K642 HydrophobicContact CZ-CD 3.86Å; F638-K642 WeakPolarHBondContact O-CB 3.28Å; F638-K642 PolarHBondContact O-N 3.09Å
639	R	60	Low	56.5	Low	150 Å²	150	66.1 Å²	66.1	57%	0.566	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-37	176.6	-166.5	-179	-63.9	118.9	-0.6	111	G635 K636 N643	G635-R639 VanDerWaalsContact O-CB 3.26Å; G635-R639 WeakPolarHBondContact O-CB 3.39Å; G635-R639 PolarHBondContact O-N 3.05Å; K636-R639 PolarHBondContact O-N 3.23Å; R639-N643 WeakPolarHBondContact O-CA 3.4Å; R639-N643 WeakPolarHBondContact O-CB 3.48Å; R639-N643 PolarHBondContact O-N 3.48Å; R639-N643 PolarHBondContact O-ND2 3.47Å; R639-N643 PolarHBondContact O-OD1 2.93Å
640	F	58.3	Low	54.7	Low	59 Å²	59	63.7 Å²	63.7	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-54.5	173.1	173.4	-89.4	0	0	0	112	Y569 V578 K636 V637 F638 K642 N643 K644	Y569-F640 HydrophobicContact CE1-CD2 4.31Å; Y569-F640 HydrophobicContact CE1-CG 4.47Å; Y569-F640 WeakPolarHBondContact OH-CD1 3.47Å; Y569-F640 WeakPolarHBondContact OH-CD2 3.4Å; Y569-F640 WeakPolarHBondContact OH-CE1 3.37Å; Y569-F640 VanDerWaalsContact OH-CE2 3.28Å; Y569-F640 WeakPolarHBondContact OH-CE2 3.43Å; Y569-F640 WeakPolarHBondContact OH-CG 3.41Å; Y569-F640 WeakPolarHBondContact OH-CZ 3.48Å; V578-F640 HydrophobicContact CG1-CZ 3.97Å; V578-F640 HydrophobicContact CG2-CZ 4.13Å; K636-F640 WeakPolarHBondContact O-CB 3.34Å; K636-F640 PolarHBondContact O-N 3.41Å; V637-F640 WeakPolarHBondContact O-CB 3.28Å; V637-F640 PolarHBondContact O-N 3.3Å; F638-F640 PolarHBondContact O-N 3.22Å; F640-K642 PolarHBondContact O-N 2.93Å; F640-N643 CarbonylContact O-C 3.46Å; F640-N643 PolarHBondContact O-N 3.1Å; F640-K644 HydrophobicContact CE1-CD 4Å; F640-K644 HydrophobicContact CE1-CG 4.46Å; F640-K644 HydrophobicContact CZ-CD 3.82Å; F640-K644 HydrophobicContact CZ-CG 4.25Å; F640-K644 WeakPolarHBondContact O-CB 3.35Å; F640-K644 PolarHBondContact O-N 3.49Å
641	Y	51.2	Low	53.3	Low	50 Å²	50	69.1 Å²	69.1	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-66.9	-37	-179.3	-83.1	-79.3	0	0	0	112.7	M596 V637 F638 K644 A645	M596-Y641 HydrophobicContact CE-CD2 3.72Å; M596-Y641 HydrophobicContact CE-CE2 3.64Å; M596-Y641 HydrophobicContact CE-CG 4.31Å; V637-Y641 HydrophobicContact CG1-CD2 3.66Å; V637-Y641 HydrophobicContact CG1-CE2 3.68Å; V637-Y641 WeakPolarHBondContact O-CD2 3.41Å; V637-Y641 PolarHBondContact O-N 3.38Å; F638-Y641 PolarHBondContact O-N 2.9Å; Y641-K644 PolarHBondContact O-N 3.36Å; Y641-A645 VanDerWaalsContact O-CB 3.22Å; Y641-A645 WeakPolarHBondContact O-CB 3.24Å; Y641-A645 PolarHBondContact O-N 2.91Å
642	K	52.9	Low	51.8	Low	115 Å²	115	71.2 Å²	71.2	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-48.7	171.8	-179.6	171.8	179.7	165	0	110.1	F638 F640 K644 A645 Y646	F638-K642 HydrophobicContact CE1-CB 4.22Å; F638-K642 HydrophobicContact CE1-CD 3.66Å; F638-K642 HydrophobicContact CZ-CB 4.25Å; F638-K642 HydrophobicContact CZ-CD 3.86Å; F638-K642 WeakPolarHBondContact O-CB 3.28Å; F638-K642 PolarHBondContact O-N 3.09Å; F640-K642 PolarHBondContact O-N 2.93Å; K642-K644 PolarHBondContact O-N 3.11Å; K642-A645 PolarHBondContact O-N 3.49Å; K642-Y646 WeakPolarHBondContact O-CA 3.45Å; K642-Y646 WeakPolarHBondContact O-CB 3.33Å; K642-Y646 PolarHBondContact O-N 3.11Å
643	N	53.8	Low	50.7	Low	80 Å²	80	69 Å²	69	43%	0.428	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-34.2	174.8	-71.7	-6.2	0	0	0	111.2	R639 F640 Y646 D647	R639-N643 WeakPolarHBondContact O-CA 3.4Å; R639-N643 WeakPolarHBondContact O-CB 3.48Å; R639-N643 PolarHBondContact O-N 3.48Å; R639-N643 PolarHBondContact O-ND2 3.47Å; R639-N643 PolarHBondContact O-OD1 2.93Å; F640-N643 CarbonylContact O-C 3.46Å; F640-N643 PolarHBondContact O-N 3.1Å; N643-Y646 CarbonylContact O-C 3.52Å; N643-Y646 WeakPolarHBondContact O-CB 3.4Å; N643-D647 WeakPolarHBondContact O-CA 3.39Å; N643-D647 VanDerWaalsContact O-CB 3.29Å; N643-D647 WeakPolarHBondContact O-CB 3.24Å; N643-D647 PolarHBondContact O-N 3.23Å
644	K	48.9	Very low	49.4	Very low	37 Å²	37	68.6 Å²	68.6	16%	0.161	33%	0.332	C	S	.	.	H	α-helix	trans	-78.6	-40	179.4	-118.4	-155.8	177.5	-150.3	0	114	V578 F640 Y641 K642 D647 T648	V578-K644 HydrophobicContact CG1-CD 4.4Å; F640-K644 HydrophobicContact CE1-CD 4Å; F640-K644 HydrophobicContact CE1-CG 4.46Å; F640-K644 HydrophobicContact CZ-CD 3.82Å; F640-K644 HydrophobicContact CZ-CG 4.25Å; F640-K644 WeakPolarHBondContact O-CB 3.35Å; F640-K644 PolarHBondContact O-N 3.49Å; Y641-K644 PolarHBondContact O-N 3.36Å; K642-K644 PolarHBondContact O-N 3.11Å; K644-D647 CarbonylContact O-C 3.59Å; K644-D647 WeakPolarHBondContact O-CA 3.43Å; K644-D647 WeakPolarHBondContact O-CB 2.86Å; K644-D647 PolarHBondContact O-N 2.76Å; K644-T648 PolarHBondContact O-N 2.65Å; K644-T648 PolarHBondContact O-OG1 3.17Å; K644-T648 VanDerWaalsContact O-OG1 3.09Å
645	A	45.8	Very low	48.5	Very low	27 Å²	27	75.3 Å²	75.3	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-39.8	170.4	0	0	0	0	0	109.3	Y641 K642 T648 Q649	Y641-A645 VanDerWaalsContact O-CB 3.22Å; Y641-A645 WeakPolarHBondContact O-CB 3.24Å; Y641-A645 PolarHBondContact O-N 2.91Å; K642-A645 PolarHBondContact O-N 3.49Å; A645-T648 VanDerWaalsContact C-OG1 3.31Å; A645-T648 VanDerWaalsContact CA-OG1 3.27Å; A645-T648 WeakPolarHBondContact CA-OG1 3.43Å; A645-T648 PolarHBondContact O-N 2.93Å; A645-T648 PolarHBondContact O-OG1 3.35Å; A645-Q649 WeakPolarHBondContact O-CG 3.31Å; A645-Q649 PolarHBondContact O-N 3.29Å
646	Y	41.7	Very low	47.5	Very low	111 Å²	111	84.3 Å²	84.3	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-35.1	168.7	-166.5	-99.6	0	0	0	112	K642 N643 Q649 K650	K642-Y646 WeakPolarHBondContact O-CA 3.45Å; K642-Y646 WeakPolarHBondContact O-CB 3.33Å; K642-Y646 PolarHBondContact O-N 3.11Å; N643-Y646 CarbonylContact O-C 3.52Å; N643-Y646 WeakPolarHBondContact O-CB 3.4Å; Y646-Q649 CarbonylContact O-C 3.58Å; Y646-Q649 WeakPolarHBondContact O-CA 3.42Å; Y646-Q649 WeakPolarHBondContact O-CB 2.94Å; Y646-Q649 PolarHBondContact O-N 2.64Å; Y646-K650 HydrophobicContact CD1-CD 3.89Å; Y646-K650 HydrophobicContact CD1-CG 4.03Å; Y646-K650 HydrophobicContact CE1-CD 3.72Å; Y646-K650 HydrophobicContact CE1-CG 3.89Å; Y646-K650 VanDerWaalsContact O-CB 3.27Å; Y646-K650 WeakPolarHBondContact O-CB 3.44Å; Y646-K650 WeakPolarHBondContact O-CG 3.49Å; Y646-K650 PolarHBondContact O-N 3.1Å
647	D	41.6	Very low	46.5	Very low	88 Å²	88	79.6 Å²	79.6	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-69.4	-37.3	176	-73.1	-26.9	0	0	0	111.4	N643 K644 Q649 K650	N643-D647 WeakPolarHBondContact O-CA 3.39Å; N643-D647 VanDerWaalsContact O-CB 3.29Å; N643-D647 WeakPolarHBondContact O-CB 3.24Å; N643-D647 PolarHBondContact O-N 3.23Å; K644-D647 CarbonylContact O-C 3.59Å; K644-D647 WeakPolarHBondContact O-CA 3.43Å; K644-D647 WeakPolarHBondContact O-CB 2.86Å; K644-D647 PolarHBondContact O-N 2.76Å; D647-Q649 VanDerWaalsContact C-N 3.33Å; D647-K650 CarbonylContact O-C 3.51Å; D647-K650 VanDerWaalsContact O-CA 3.26Å; D647-K650 WeakPolarHBondContact O-CA 3.24Å; D647-K650 WeakPolarHBondContact O-CB 3.47Å; D647-K650 PolarHBondContact O-N 3.24Å
648	T	40.2	Very low	46	Very low	56 Å²	56	84.3 Å²	84.3	34%	0.344	40%	0.396	S	S	.	.	H	α-helix	trans	-69.2	-31.2	170.9	47.6	0	0	0	0	111.9	K644 A645 K650	K644-T648 PolarHBondContact O-N 2.65Å; K644-T648 PolarHBondContact O-OG1 3.17Å; K644-T648 VanDerWaalsContact O-OG1 3.09Å; A645-T648 VanDerWaalsContact C-OG1 3.31Å; A645-T648 VanDerWaalsContact CA-OG1 3.27Å; A645-T648 WeakPolarHBondContact CA-OG1 3.43Å; A645-T648 PolarHBondContact O-N 2.93Å; A645-T648 PolarHBondContact O-OG1 3.35Å; T648-K650 VanDerWaalsContact C-N 3.32Å
649	Q	41.6	Very low	45.7	Very low	111 Å²	111	88.9 Å²	88.9	52%	0.519	43%	0.433	S	S	.	.	H	α-helix	trans	-73.6	-26.3	166.2	-74.8	-176.5	-12.6	0	0	112.1	A645 Y646 D647 L651	A645-Q649 WeakPolarHBondContact O-CG 3.31Å; A645-Q649 PolarHBondContact O-N 3.29Å; Y646-Q649 CarbonylContact O-C 3.58Å; Y646-Q649 WeakPolarHBondContact O-CA 3.42Å; Y646-Q649 WeakPolarHBondContact O-CB 2.94Å; Y646-Q649 PolarHBondContact O-N 2.64Å; D647-Q649 VanDerWaalsContact C-N 3.33Å; Q649-L651 PolarHBondContact O-N 3.11Å
650	K	35.8	Very low	45.6	Very low	45 Å²	45	85 Å²	85	20%	0.196	43%	0.429	C	S	.	.			trans	-81.5	47.6	171.8	-85.5	-169.9	151.3	-171.9	0	112.1	Y646 D647 T648 R652 T653 T654 E665	Y646-K650 HydrophobicContact CD1-CD 3.89Å; Y646-K650 HydrophobicContact CD1-CG 4.03Å; Y646-K650 HydrophobicContact CE1-CD 3.72Å; Y646-K650 HydrophobicContact CE1-CG 3.89Å; Y646-K650 VanDerWaalsContact O-CB 3.27Å; Y646-K650 WeakPolarHBondContact O-CB 3.44Å; Y646-K650 WeakPolarHBondContact O-CG 3.49Å; Y646-K650 PolarHBondContact O-N 3.1Å; D647-K650 CarbonylContact O-C 3.51Å; D647-K650 VanDerWaalsContact O-CA 3.26Å; D647-K650 WeakPolarHBondContact O-CA 3.24Å; D647-K650 WeakPolarHBondContact O-CB 3.47Å; D647-K650 PolarHBondContact O-N 3.24Å; T648-K650 VanDerWaalsContact C-N 3.32Å; K650-R652 CarbonylContact C-O 3.58Å; K650-R652 HydrophobicContact CB-CB 3.97Å; K650-R652 WeakPolarHBondContact CB-O 3.12Å; K650-R652 HydrophobicContact CG-CB 3.7Å; K650-R652 CarbonylContact O-C 3.58Å; K650-R652 PolarHBondContact O-N 3.31Å; K650-R652 VanDerWaalsContact O-N 3.11Å; K650-T653 PolarHBondContact O-N 3.22Å; K650-T654 WeakPolarHBondContact CD-OG1 3.47Å; K650-T654 VanDerWaalsContact CE-OG1 3.24Å; K650-T654 WeakPolarHBondContact CE-OG1 3.4Å; K650-T654 PolarHBondContact NZ-OG1 3.14Å; K650-E665 IonicContact NZ-OE1 2.88Å
651	L	37.7	Very low	45.8	Very low	142 Å²	142	85.4 Å²	85.4	74%	0.743	45%	0.45	S	S	*	.			trans	-55.6	-1.5	131.2	-94.3	148	0	0	0	112.6	Q649 T653	Q649-L651 PolarHBondContact O-N 3.11Å; L651-T653 PolarHBondContact O-N 2.9Å; L651-T653 VanDerWaalsContact O-N 3.08Å
652	R	37.3	Very low	47.2	Very low	57 Å²	57	84.6 Å²	84.6	22%	0.215	45%	0.451	C	S	.	.	S	Bend	trans	-59.3	77.4	135	-125.4	-170.7	-177.3	179.9	4.1	109.2	K650 T654 E665	K650-R652 CarbonylContact C-O 3.58Å; K650-R652 HydrophobicContact CB-CB 3.97Å; K650-R652 WeakPolarHBondContact CB-O 3.12Å; K650-R652 HydrophobicContact CG-CB 3.7Å; K650-R652 CarbonylContact O-C 3.58Å; K650-R652 PolarHBondContact O-N 3.31Å; K650-R652 VanDerWaalsContact O-N 3.11Å; R652-T654 VanDerWaalsContact C-N 3.28Å; R652-T654 PolarHBondContact O-N 2.88Å; R652-T654 PolarHBondContact O-OG1 3.08Å; R652-E665 WeakPolarHBondContact CD-OE1 3.38Å; R652-E665 HydrophobicContact CG-CG 4.32Å; R652-E665 VanDerWaalsContact CZ-CD 3.4Å; R652-E665 IonicContact CZ-OE1 3.1Å; R652-E665 IonicContact NE-OE1 3.95Å; R652-E665 PolarHBondContact NE-OE1 2.8Å; R652-E665 VanDerWaalsContact NH1-CD 3.28Å; R652-E665 IonicContact NH1-OE1 2.78Å; R652-E665 PolarHBondContact NH1-OE1 2.76Å; R652-E665 IonicContact NH1-OE2 2.64Å
653	T	43.1	Very low	48.5	Very low	61 Å²	61	82.2 Å²	82.2	37%	0.374	44%	0.444	S	S	.	.			trans	-57.3	93.4	174.5	38.9	0	0	0	0	109	K650 L651 Y655 Y668	K650-T653 PolarHBondContact O-N 3.22Å; L651-T653 PolarHBondContact O-N 2.9Å; L651-T653 VanDerWaalsContact O-N 3.08Å; T653-Y655 PolarHBondContact O-N 3.41Å; T653-Y668 WeakPolarHBondContact OG1-CD2 3.45Å
654	T	40.8	Very low	49.8	Very low	50 Å²	50	78.8 Å²	78.8	31%	0.307	42%	0.424	S	S	.	.			trans	-77	86.5	173.6	-28.5	0	0	0	0	105.2	K650 R652 R656 L663 E665	K650-T654 WeakPolarHBondContact CD-OG1 3.47Å; K650-T654 VanDerWaalsContact CE-OG1 3.24Å; K650-T654 WeakPolarHBondContact CE-OG1 3.4Å; K650-T654 PolarHBondContact NZ-OG1 3.14Å; R652-T654 VanDerWaalsContact C-N 3.28Å; R652-T654 PolarHBondContact O-N 2.88Å; R652-T654 PolarHBondContact O-OG1 3.08Å; T654-R656 PolarHBondContact O-N 3.28Å; T654-R656 VanDerWaalsContact O-N 3.16Å; T654-L663 HydrophobicContact CG2-CD1 3.86Å; T654-E665 HydrophobicContact CG2-CB 4.42Å
655	Y	41.7	Very low	51	Low	146 Å²	146	79.5 Å²	79.5	57%	0.573	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	105.7	173.1	-157.2	-96	0	0	0	106.1	T653 G657 Y664 Y668	T653-Y655 PolarHBondContact O-N 3.41Å; Y655-G657 PolarHBondContact O-N 3.06Å; Y655-Y664 PolarHBondContact O-N 3.11Å; Y655-Y668 WeakPolarHBondContact CB-OH 3.2Å
656	R	42.4	Very low	52.4	Low	212 Å²	212	78.3 Å²	78.3	80%	0.8	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	117.6	151.8	-82.7	-168.9	-169.3	-160.3	4.1	104.2	T654 L663	T654-R656 PolarHBondContact O-N 3.28Å; T654-R656 VanDerWaalsContact O-N 3.16Å; R656-L663 HydrophobicContact CG-CD1 4Å
657	G	45.3	Very low	53.8	Low	23 Å²	23	75 Å²	75	24%	0.237	41%	0.406	C	S	.	.			trans	-47.4	165.1	172.4	0	0	0	0	0	111.1	Y655 S662	Y655-G657 PolarHBondContact O-N 3.06Å; G657-S662 WeakPolarHBondContact CA-O 3.43Å; G657-S662 PolarHBondContact N-O 2.86Å
658	D	48.8	Very low	54.9	Low	110 Å²	110	74.3 Å²	74.3	59%	0.588	40%	0.397	S	S	*	.	S	Bend	trans	-34.2	178.1	152.9	51.6	25.2	0	0	0	114.3	S660 G661	D658-S660 PolarHBondContact O-N 3.26Å; D658-S660 VanDerWaalsContact OD1-CB 3.23Å; D658-S660 WeakPolarHBondContact OD1-CB 3.18Å; D658-S660 PolarHBondContact OD1-N 3.21Å; D658-S660 PolarHBondContact OD1-OG 2.99Å; D658-G661 PolarHBondContact O-N 3.5Å
659	S	51.3	Low	56.1	Low	137 Å²	137	77.5 Å²	77.5	96%	0.958	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-1.5	179.8	46	0	0	0	0	116.8
660	S	57.3	Low	57.6	Low	69 Å²	69	79.1 Å²	79.1	48%	0.483	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.9	173.2	71.8	0	0	0	0	115.4	D658 S662	D658-S660 PolarHBondContact O-N 3.26Å; D658-S660 VanDerWaalsContact OD1-CB 3.23Å; D658-S660 WeakPolarHBondContact OD1-CB 3.18Å; D658-S660 PolarHBondContact OD1-N 3.21Å; D658-S660 PolarHBondContact OD1-OG 2.99Å; S660-S662 PolarHBondContact O-N 2.89Å; S660-S662 PolarHBondContact OG-N 2.77Å; S660-S662 PolarHBondContact OG-OG 3.41Å; S660-S662 VanDerWaalsContact OG-OG 3.1Å
661	G	63.8	Low	59.2	Low	67 Å²	67	84.4 Å²	84.4	69%	0.691	45%	0.448	S	S	*	.			trans	74.5	9.9	-176.3	0	0	0	0	0	114.8	D658	D658-G661 PolarHBondContact O-N 3.5Å
662	S	80.1	Confident	61	Low	32 Å²	32	83 Å²	83	22%	0.224	44%	0.437	C	S	.	.			trans	-69.1	139.1	173.1	-55.1	0	0	0	0	111	G657 S660 R680	G657-S662 WeakPolarHBondContact CA-O 3.43Å; G657-S662 PolarHBondContact N-O 2.86Å; S660-S662 PolarHBondContact O-N 2.89Å; S660-S662 PolarHBondContact OG-N 2.77Å; S660-S662 PolarHBondContact OG-OG 3.41Å; S660-S662 VanDerWaalsContact OG-OG 3.1Å; S662-R680 WeakPolarHBondContact CA-O 3.18Å
663	L	80.6	Confident	63.3	Low	66 Å²	66	81.4 Å²	81.4	35%	0.346	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.7	178.5	-177.4	71.3	0	0	0	109.1	T654 R656 R680	T654-L663 HydrophobicContact CG2-CD1 3.86Å; R656-L663 HydrophobicContact CG-CD1 4Å; L663-R680 HydrophobicContact CB-CB 4.46Å; L663-R680 PolarHBondContact N-O 3.23Å; L663-R680 PolarHBondContact O-N 3.47Å
664	Y	81.1	Confident	65.1	Low	7 Å²	7	80.8 Å²	80.8	3%	0.027	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.5	170.6	-179.9	-98.8	0	0	0	110.4	Y655 G666 Y667 Y668 P673 A678 L679 W690	Y655-Y664 PolarHBondContact O-N 3.11Å; Y664-G666 VanDerWaalsContact CE1-C 3.48Å; Y664-G666 VanDerWaalsContact CE1-CA 3.47Å; Y664-Y667 PolarHBondContact OH-N 3.3Å; Y664-Y667 PolarHBondContact OH-O 3.02Å; Y664-Y668 HydrophobicContact CD1-CD2 4.22Å; Y664-Y668 AromaticContact CD1-CE2 3.27Å; Y664-Y668 HydrophobicContact CD1-CE2 3.27Å; Y664-Y668 AromaticContact CD1-CZ 3.43Å; Y664-Y668 VanDerWaalsContact CD1-CZ 3.43Å; Y664-Y668 WeakPolarHBondContact CD1-OH 3.38Å; Y664-Y668 AromaticContact CE1-CD2 3.91Å; Y664-Y668 HydrophobicContact CE1-CD2 3.91Å; Y664-Y668 AromaticContact CE1-CE2 3.42Å; Y664-Y668 HydrophobicContact CE1-CE2 3.42Å; Y664-Y668 VanDerWaalsContact CE1-CE2 3.42Å; Y664-Y668 AromaticContact CE1-CZ 3.79Å; Y664-Y668 HydrophobicContact CG-CE2 4.48Å; Y664-P673 HydrophobicContact CD2-CG 4.4Å; Y664-P673 HydrophobicContact CE1-CB 4.21Å; Y664-P673 HydrophobicContact CE1-CG 4.3Å; Y664-P673 HydrophobicContact CE2-CB 3.83Å; Y664-P673 HydrophobicContact CE2-CG 4.12Å; Y664-A678 CarbonylContact C-O 3.17Å; Y664-A678 WeakPolarHBondContact CA-O 3.31Å; Y664-A678 WeakPolarHBondContact CD2-O 3.43Å; Y664-L679 HydrophobicContact CD2-CB 4.1Å; Y664-L679 HydrophobicContact CD2-CD1 4.26Å; Y664-W690 HydrophobicContact CD2-CZ2 4.4Å; Y664-W690 HydrophobicContact CE2-CD2 4.14Å; Y664-W690 AromaticContact CE2-CE2 3.7Å; Y664-W690 HydrophobicContact CE2-CG 4.3Å; Y664-W690 HydrophobicContact CE2-CZ2 4.11Å; Y664-W690 AromaticContact CE2-NE1 3.64Å
665	E	73.9	Confident	67.2	Low	53 Å²	53	79.2 Å²	79.2	25%	0.248	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	100.9	172	-177.6	166.1	-146.2	0	0	109.3	K650 R652 T654 G677 A678	K650-E665 IonicContact NZ-OE1 2.88Å; R652-E665 WeakPolarHBondContact CD-OE1 3.38Å; R652-E665 HydrophobicContact CG-CG 4.32Å; R652-E665 VanDerWaalsContact CZ-CD 3.4Å; R652-E665 IonicContact CZ-OE1 3.1Å; R652-E665 IonicContact NE-OE1 3.95Å; R652-E665 PolarHBondContact NE-OE1 2.8Å; R652-E665 VanDerWaalsContact NH1-CD 3.28Å; R652-E665 IonicContact NH1-OE1 2.78Å; R652-E665 PolarHBondContact NH1-OE1 2.76Å; R652-E665 IonicContact NH1-OE2 2.64Å; T654-E665 HydrophobicContact CG2-CB 4.42Å; E665-G677 WeakPolarHBondContact O-CA 3.4Å; E665-A678 PolarHBondContact N-O 3.12Å; E665-A678 PolarHBondContact O-N 3.33Å
666	G	74	Confident	69.3	Low	1 Å²	1	73.3 Å²	73.3	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-166	-178.6	0	0	0	0	0	110.3	Y664	Y664-G666 VanDerWaalsContact CE1-C 3.48Å; Y664-G666 VanDerWaalsContact CE1-CA 3.47Å
667	Y	71.5	Confident	71.4	Confident	43 Å²	43	63.2 Å²	63.2	17%	0.169	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	153.9	-178.3	-59.8	-88	0	0	0	111.2	Y664 P673 E674 H824 K866	Y664-Y667 PolarHBondContact OH-N 3.3Å; Y664-Y667 PolarHBondContact OH-O 3.02Å; Y667-P673 WeakPolarHBondContact O-CA 3.4Å; Y667-E674 WeakPolarHBondContact CB-O 3.44Å; Y667-E674 PolarHBondContact O-N 3Å; Y667-H824 AromaticContact CD1-NE2 3.81Å; Y667-H824 AromaticContact CD2-CE1 3.72Å; Y667-H824 AromaticContact CD2-NE2 3.89Å; Y667-H824 AromaticContact CE1-CE1 3.51Å; Y667-H824 AromaticContact CE1-NE2 3.6Å; Y667-H824 AromaticContact CE2-CE1 3.1Å; Y667-H824 WeakPolarHBondContact CE2-CE1 2.91Å; Y667-H824 AromaticContact CE2-ND1 3.47Å; Y667-H824 WeakPolarHBondContact CE2-ND1 3.46Å; Y667-H824 AromaticContact CE2-NE2 3.7Å; Y667-H824 AromaticContact CG-NE2 3.96Å; Y667-H824 AromaticContact CZ-CE1 2.98Å; Y667-H824 AromaticContact CZ-ND1 3.81Å; Y667-H824 AromaticContact CZ-NE2 3.56Å; Y667-H824 PolarHBondContact OH-CE1 3.48Å; Y667-K866 WeakPolarHBondContact OH-CD 3.41Å; Y667-K866 WeakPolarHBondContact OH-CE 3.46Å; Y667-K866 PolarHBondContact OH-NZ 3.09Å
668	Y	65.6	Low	73.4	Confident	73 Å²	73	63.3 Å²	63.3	29%	0.286	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138	174.1	-75.8	-101.1	0	0	0	110.2	T653 Y655 Y664 K672 P673	T653-Y668 WeakPolarHBondContact OG1-CD2 3.45Å; Y655-Y668 WeakPolarHBondContact CB-OH 3.2Å; Y664-Y668 HydrophobicContact CD1-CD2 4.22Å; Y664-Y668 AromaticContact CD1-CE2 3.27Å; Y664-Y668 HydrophobicContact CD1-CE2 3.27Å; Y664-Y668 AromaticContact CD1-CZ 3.43Å; Y664-Y668 VanDerWaalsContact CD1-CZ 3.43Å; Y664-Y668 WeakPolarHBondContact CD1-OH 3.38Å; Y664-Y668 AromaticContact CE1-CD2 3.91Å; Y664-Y668 HydrophobicContact CE1-CD2 3.91Å; Y664-Y668 AromaticContact CE1-CE2 3.42Å; Y664-Y668 HydrophobicContact CE1-CE2 3.42Å; Y664-Y668 VanDerWaalsContact CE1-CE2 3.42Å; Y664-Y668 AromaticContact CE1-CZ 3.79Å; Y664-Y668 HydrophobicContact CG-CE2 4.48Å; Y668-K672 CarbonylContact C-O 3.56Å; Y668-K672 VanDerWaalsContact CA-O 3.23Å; Y668-K672 WeakPolarHBondContact CA-O 3.04Å; Y668-K672 VanDerWaalsContact CD1-C 3.4Å; Y668-P673 HydrophobicContact CE1-CG 4.16Å
669	K	65.6	Low	75.4	Confident	122 Å²	122	60.1 Å²	60.1	53%	0.53	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.5	165.9	-171.2	173.8	-179.8	175	0	107.4	N671 K672 E674	K669-N671 VanDerWaalsContact C-N 3.29Å; K669-N671 PolarHBondContact O-N 2.89Å; K669-K672 PolarHBondContact N-O 3.34Å; K669-K672 PolarHBondContact O-N 3.34Å; K669-E674 HydrophobicContact CB-CB 3.66Å; K669-E674 HydrophobicContact CB-CG 3.71Å; K669-E674 HydrophobicContact CD-CG 4.06Å
670	D	71.6	Confident	77.2	Confident	145 Å²	145	61.5 Å²	61.5	78%	0.775	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	44.4	-176.4	-53.1	-40.1	0	0	0	113.5	K672	D670-K672 PolarHBondContact O-N 3.47Å
671	N	70	Confident	78.7	Confident	156 Å²	156	60 Å²	60	83%	0.834	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	21	-176.4	-64.2	-35.9	0	0	0	115.3	K669	K669-N671 VanDerWaalsContact C-N 3.29Å; K669-N671 PolarHBondContact O-N 2.89Å
672	K	76.5	Confident	79.7	Confident	114 Å²	114	62 Å²	62	50%	0.496	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.6	173.3	-64	-175.7	-179	-178	0	111.7	Y668 K669 D670 E674 K692	Y668-K672 CarbonylContact C-O 3.56Å; Y668-K672 VanDerWaalsContact CA-O 3.23Å; Y668-K672 WeakPolarHBondContact CA-O 3.04Å; Y668-K672 VanDerWaalsContact CD1-C 3.4Å; K669-K672 PolarHBondContact N-O 3.34Å; K669-K672 PolarHBondContact O-N 3.34Å; D670-K672 PolarHBondContact O-N 3.47Å; K672-E674 PolarHBondContact O-N 3.24Å; K672-K692 WeakPolarHBondContact CD-O 3.38Å
673	P	83.9	Confident	80	Confident	23 Å²	23	68 Å²	68	15%	0.149	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.8	130.5	169.9	-31.6	36.6	0	0	0	112.5	Y664 Y667 Y668 W690 G693	Y664-P673 HydrophobicContact CD2-CG 4.4Å; Y664-P673 HydrophobicContact CE1-CB 4.21Å; Y664-P673 HydrophobicContact CE1-CG 4.3Å; Y664-P673 HydrophobicContact CE2-CB 3.83Å; Y664-P673 HydrophobicContact CE2-CG 4.12Å; Y667-P673 WeakPolarHBondContact O-CA 3.4Å; Y668-P673 HydrophobicContact CE1-CG 4.16Å; P673-W690 HydrophobicContact CB-CB 3.82Å; P673-W690 HydrophobicContact CB-CD2 3.69Å; P673-W690 HydrophobicContact CB-CE3 3.64Å; P673-W690 HydrophobicContact CB-CG 3.78Å; P673-W690 HydrophobicContact CB-CZ3 4.44Å; P673-W690 HydrophobicContact CG-CE3 4.28Å; P673-G693 WeakPolarHBondContact O-CA 3.42Å; P673-G693 PolarHBondContact O-N 3.22Å
674	E	82.4	Confident	80.5	Confident	47 Å²	47	66.4 Å²	66.4	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.3	-178.4	-169.6	78.3	173	0	0	110.2	Y667 K669 K672 W690 K691 K692	Y667-E674 WeakPolarHBondContact CB-O 3.44Å; Y667-E674 PolarHBondContact O-N 3Å; K669-E674 HydrophobicContact CB-CB 3.66Å; K669-E674 HydrophobicContact CB-CG 3.71Å; K669-E674 HydrophobicContact CD-CG 4.06Å; K672-E674 PolarHBondContact O-N 3.24Å; E674-W690 CarbonylContact C-O 3.56Å; E674-W690 WeakPolarHBondContact CA-O 2.96Å; E674-K691 WeakPolarHBondContact OE2-CA 3.48Å; E674-K692 PolarHBondContact OE2-N 2.79Å
675	G	83.8	Confident	81	Confident	18 Å²	18	68.5 Å²	68.5	19%	0.186	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-152.9	179.8	0	0	0	0	0	112.8	E689 W690	G675-E689 CarbonylContact O-C 3.46Å; G675-E689 WeakPolarHBondContact O-CA 3.5Å; G675-W690 PolarHBondContact N-O 3.09Å; G675-W690 PolarHBondContact O-N 3.24Å
676	H	86.1	Confident	81.9	Confident	21 Å²	21	66.1 Å²	66.1	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.8	179.4	-173.9	76.6	0	0	0	111.8	D820	H676-D820 WeakPolarHBondContact CB-OD2 3.19Å; H676-D820 IonicContact CE1-OD2 2.69Å; H676-D820 IonicContact CG-OD2 2.67Å; H676-D820 IonicContact ND1-OD1 3.12Å; H676-D820 IonicContact ND1-OD2 2.71Å; H676-D820 PolarHBondContact ND1-OD2 2.83Å
677	G	85.8	Confident	82.8	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	157.9	177.2	0	0	0	0	0	114.9	E665 G688 W690	E665-G677 WeakPolarHBondContact O-CA 3.4Å; G677-G688 PolarHBondContact N-O 3.39Å; G677-G688 PolarHBondContact O-N 3.34Å; G677-G688 VanDerWaalsContact O-N 3.12Å; G677-W690 PolarHBondContact O-NE1 3.42Å
678	A	88.3	Confident	83.8	Confident	24 Å²	24	64.7 Å²	64.7	20%	0.198	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.7	179.2	0	0	0	0	0	110.7	Y664 E665 F686 V687	Y664-A678 CarbonylContact C-O 3.17Å; Y664-A678 WeakPolarHBondContact CA-O 3.31Å; Y664-A678 WeakPolarHBondContact CD2-O 3.43Å; E665-A678 PolarHBondContact N-O 3.12Å; E665-A678 PolarHBondContact O-N 3.33Å; A678-F686 CarbonylContact C-O 3.55Å; A678-F686 WeakPolarHBondContact CA-O 3.36Å; A678-V687 HydrophobicContact CB-CG2 3.76Å
679	L	90.4	Very high	85.1	Confident	43 Å²	43	62.3 Å²	62.3	23%	0.225	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.7	171.4	-179.4	66.9	0	0	0	109.5	Y664 T681 L685 F686 W690	Y664-L679 HydrophobicContact CD2-CB 4.1Å; Y664-L679 HydrophobicContact CD2-CD1 4.26Å; L679-T681 HydrophobicContact CD2-CG2 4.39Å; L679-T681 HydrophobicContact CG-CG2 4.23Å; L679-L685 WeakPolarHBondContact O-CA 3.34Å; L679-F686 HydrophobicContact CB-CB 4.46Å; L679-F686 PolarHBondContact N-O 2.95Å; L679-F686 PolarHBondContact O-N 3Å; L679-W690 HydrophobicContact CB-CH2 3.99Å; L679-W690 HydrophobicContact CB-CZ2 3.6Å; L679-W690 HydrophobicContact CD2-CH2 3.72Å; L679-W690 HydrophobicContact CD2-CZ2 4.24Å; L679-W690 HydrophobicContact CG-CH2 4.48Å
680	R	89.1	Confident	86.3	Confident	167 Å²	167	57 Å²	57	63%	0.63	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.2	171.8	-172.8	174.8	-180	171.2	1.4	110	S662 L663 L685	S662-R680 WeakPolarHBondContact CA-O 3.18Å; L663-R680 HydrophobicContact CB-CB 4.46Å; L663-R680 PolarHBondContact N-O 3.23Å; L663-R680 PolarHBondContact O-N 3.47Å; R680-L685 HydrophobicContact CB-CD1 3.98Å; R680-L685 HydrophobicContact CG-CD1 4.37Å
681	T	88.3	Confident	87.1	Confident	38 Å²	38	55.2 Å²	55.2	23%	0.233	29%	0.291	C	S	.	.			trans	-116.6	178.5	171.9	62.4	0	0	0	0	109.1	L679 E683 S684	L679-T681 HydrophobicContact CD2-CG2 4.39Å; L679-T681 HydrophobicContact CG-CG2 4.23Å; T681-E683 PolarHBondContact O-N 3.48Å; T681-S684 PolarHBondContact N-O 2.72Å; T681-S684 PolarHBondContact OG1-N 3.11Å; T681-S684 PolarHBondContact OG1-O 3.43Å; T681-S684 PolarHBondContact OG1-OG 2.93Å
682	A	84.4	Confident	88	Confident	108 Å²	108	55.3 Å²	55.3	89%	0.893	29%	0.285	S	S	*	.	S	Bend	trans	-63	-28.7	174.2	0	0	0	0	0	112.8
683	E	86.3	Confident	88.6	Confident	158 Å²	158	51 Å²	51	74%	0.738	27%	0.272	S	S	*	.	S	Bend	trans	-112	-16.4	-170.4	-60.9	-178.9	176.8	0	0	114.1	T681	T681-E683 PolarHBondContact O-N 3.48Å
684	S	91.3	Very high	89.1	Confident	33 Å²	33	52.3 Å²	52.3	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.3	-173.1	71.4	0	0	0	0	113.9	T681 E702	T681-S684 PolarHBondContact N-O 2.72Å; T681-S684 PolarHBondContact OG1-N 3.11Å; T681-S684 PolarHBondContact OG1-O 3.43Å; T681-S684 PolarHBondContact OG1-OG 2.93Å; S684-E702 CarbonylContact C-O 3.53Å; S684-E702 WeakPolarHBondContact CA-O 3.35Å; S684-E702 WeakPolarHBondContact CB-O 3.43Å
685	L	92.1	Very high	89.7	Confident	51 Å²	51	51.8 Å²	51.8	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.9	172.4	175.3	62.1	0	0	0	108.7	L679 R680 V687 L701 E702 L877	L679-L685 WeakPolarHBondContact O-CA 3.34Å; R680-L685 HydrophobicContact CB-CD1 3.98Å; R680-L685 HydrophobicContact CG-CD1 4.37Å; L685-V687 HydrophobicContact CD1-CG2 4.49Å; L685-L701 WeakPolarHBondContact O-CA 3.35Å; L685-E702 PolarHBondContact N-O 3.02Å; L685-E702 PolarHBondContact O-N 3.41Å; L685-L877 HydrophobicContact CD2-CD1 3.72Å; L685-L877 HydrophobicContact CD2-CD2 4.35Å; L685-L877 HydrophobicContact CG-CD1 4.29Å; L685-L877 HydrophobicContact CG-CD2 4.16Å
686	F	93.4	Very high	90.1	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.8	170.8	-179.8	-98.5	0	0	0	110.2	A678 L679 W690 K695 V700 L701 W712	A678-F686 CarbonylContact C-O 3.55Å; A678-F686 WeakPolarHBondContact CA-O 3.36Å; L679-F686 HydrophobicContact CB-CB 4.46Å; L679-F686 PolarHBondContact N-O 2.95Å; L679-F686 PolarHBondContact O-N 3Å; F686-W690 AromaticContact CD1-CE2 3.62Å; F686-W690 HydrophobicContact CD1-CH2 4.17Å; F686-W690 AromaticContact CD1-CZ2 3.3Å; F686-W690 HydrophobicContact CD1-CZ2 3.3Å; F686-W690 AromaticContact CD1-NE1 3.71Å; F686-W690 HydrophobicContact CE1-CD2 4.43Å; F686-W690 AromaticContact CE1-CE2 3.65Å; F686-W690 AromaticContact CE1-CZ2 3.77Å; F686-W690 HydrophobicContact CE1-CZ2 3.77Å; F686-W690 AromaticContact CE1-NE1 3.57Å; F686-W690 HydrophobicContact CG-CZ2 4.24Å; F686-K695 HydrophobicContact CD1-CD 4.46Å; F686-K695 HydrophobicContact CD1-CG 4.13Å; F686-K695 HydrophobicContact CD2-CD 3.67Å; F686-K695 HydrophobicContact CD2-CG 4.14Å; F686-K695 HydrophobicContact CE1-CB 4.28Å; F686-K695 HydrophobicContact CE1-CD 4.4Å; F686-K695 HydrophobicContact CE1-CG 3.8Å; F686-K695 HydrophobicContact CE2-CB 4.17Å; F686-K695 HydrophobicContact CE2-CD 3.62Å; F686-K695 HydrophobicContact CE2-CG 3.84Å; F686-K695 HydrophobicContact CG-CD 4.08Å; F686-K695 HydrophobicContact CG-CG 4.26Å; F686-K695 HydrophobicContact CZ-CB 3.79Å; F686-K695 HydrophobicContact CZ-CD 3.99Å; F686-K695 HydrophobicContact CZ-CG 3.64Å; F686-V700 CarbonylContact C-O 3.49Å; F686-V700 VanDerWaalsContact CA-O 3.28Å; F686-V700 WeakPolarHBondContact CA-O 3Å; F686-V700 WeakPolarHBondContact CD2-O 3.49Å; F686-L701 HydrophobicContact CB-CD1 3.88Å; F686-L701 HydrophobicContact CD2-CB 4.08Å; F686-L701 HydrophobicContact CD2-CD1 4.29Å; F686-W712 HydrophobicContact CE2-CD2 4.24Å; F686-W712 AromaticContact CE2-CE2 3.8Å; F686-W712 HydrophobicContact CE2-CG 4.41Å; F686-W712 HydrophobicContact CE2-CZ2 4.22Å; F686-W712 AromaticContact CE2-NE1 3.72Å
687	V	92.3	Very high	90.5	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.5	165.3	178.6	0	0	0	0	108.2	A678 L685 G699 V700 L877	A678-V687 HydrophobicContact CB-CG2 3.76Å; L685-V687 HydrophobicContact CD1-CG2 4.49Å; V687-G699 CarbonylContact O-C 3.58Å; V687-G699 WeakPolarHBondContact O-CA 2.9Å; V687-V700 PolarHBondContact N-O 3.49Å; V687-V700 PolarHBondContact O-N 2.89Å; V687-L877 HydrophobicContact CB-CD2 3.55Å; V687-L877 HydrophobicContact CG2-CD2 3.43Å; V687-L877 VanDerWaalsContact CG2-CD2 3.43Å
688	G	92	Very high	90.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-159.9	179.7	0	0	0	0	0	112.4	G677 W690 Y698	G677-G688 PolarHBondContact N-O 3.39Å; G677-G688 PolarHBondContact O-N 3.34Å; G677-G688 VanDerWaalsContact O-N 3.12Å; G688-W690 VanDerWaalsContact O-CD1 3.25Å; G688-Y698 WeakPolarHBondContact CA-O 3.34Å
689	E	92.4	Very high	91.2	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.112	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	140.9	-176.7	-179.1	175.9	172.7	0	0	112.8	G675 N696 Y698 D820 R823	G675-E689 CarbonylContact O-C 3.46Å; G675-E689 WeakPolarHBondContact O-CA 3.5Å; E689-N696 CarbonylContact C-O 3.56Å; E689-N696 VanDerWaalsContact CB-O 3.27Å; E689-N696 WeakPolarHBondContact CB-O 3.47Å; E689-N696 PolarHBondContact O-N 3.44Å; E689-Y698 PolarHBondContact N-O 3.28Å; E689-D820 HydrophobicContact CB-CB 3.65Å; E689-D820 HydrophobicContact CG-CB 3.96Å; E689-D820 PolarHBondContact N-OD2 3.24Å; E689-R823 IonicContact OE1-NH1 3.49Å; E689-R823 PolarHBondContact OE1-NH1 2.82Å; E689-R823 IonicContact OE2-CZ 3.57Å; E689-R823 IonicContact OE2-NH1 2.65Å; E689-R823 PolarHBondContact OE2-NH1 3.31Å; E689-R823 IonicContact OE2-NH2 3.23Å
690	W	90.9	Very high	91.4	Very high	11 Å²	11	49.4 Å²	49.4	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.7	173.8	-62.6	83.6	0	0	0	109.6	Y664 P673 E674 G675 G677 L679 F686 G688 V694 K695	Y664-W690 HydrophobicContact CD2-CZ2 4.4Å; Y664-W690 HydrophobicContact CE2-CD2 4.14Å; Y664-W690 AromaticContact CE2-CE2 3.7Å; Y664-W690 HydrophobicContact CE2-CG 4.3Å; Y664-W690 HydrophobicContact CE2-CZ2 4.11Å; Y664-W690 AromaticContact CE2-NE1 3.64Å; P673-W690 HydrophobicContact CB-CB 3.82Å; P673-W690 HydrophobicContact CB-CD2 3.69Å; P673-W690 HydrophobicContact CB-CE3 3.64Å; P673-W690 HydrophobicContact CB-CG 3.78Å; P673-W690 HydrophobicContact CB-CZ3 4.44Å; P673-W690 HydrophobicContact CG-CE3 4.28Å; E674-W690 CarbonylContact C-O 3.56Å; E674-W690 WeakPolarHBondContact CA-O 2.96Å; G675-W690 PolarHBondContact N-O 3.09Å; G675-W690 PolarHBondContact O-N 3.24Å; G677-W690 PolarHBondContact O-NE1 3.42Å; L679-W690 HydrophobicContact CB-CH2 3.99Å; L679-W690 HydrophobicContact CB-CZ2 3.6Å; L679-W690 HydrophobicContact CD2-CH2 3.72Å; L679-W690 HydrophobicContact CD2-CZ2 4.24Å; L679-W690 HydrophobicContact CG-CH2 4.48Å; F686-W690 AromaticContact CD1-CE2 3.62Å; F686-W690 HydrophobicContact CD1-CH2 4.17Å; F686-W690 AromaticContact CD1-CZ2 3.3Å; F686-W690 HydrophobicContact CD1-CZ2 3.3Å; F686-W690 AromaticContact CD1-NE1 3.71Å; F686-W690 HydrophobicContact CE1-CD2 4.43Å; F686-W690 AromaticContact CE1-CE2 3.65Å; F686-W690 AromaticContact CE1-CZ2 3.77Å; F686-W690 HydrophobicContact CE1-CZ2 3.77Å; F686-W690 AromaticContact CE1-NE1 3.57Å; F686-W690 HydrophobicContact CG-CZ2 4.24Å; G688-W690 VanDerWaalsContact O-CD1 3.25Å; W690-V694 WeakPolarHBondContact CA-O 3.2Å; W690-K695 HydrophobicContact CH2-CG 4.06Å; W690-K695 HydrophobicContact CZ2-CG 4.5Å; W690-K695 HydrophobicContact CZ3-CG 4.09Å
691	K	90.4	Very high	91.7	Very high	106 Å²	106	42.1 Å²	42.1	46%	0.461	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	117.2	174.8	-172.7	174.1	-175.1	171.6	0	109.3	E674 G693 V694 N696	E674-K691 WeakPolarHBondContact OE2-CA 3.48Å; K691-G693 PolarHBondContact O-N 2.87Å; K691-V694 PolarHBondContact N-O 3.47Å; K691-V694 WeakPolarHBondContact O-CG2 3.26Å; K691-V694 PolarHBondContact O-N 2.77Å; K691-N696 HydrophobicContact CB-CB 3.79Å
692	K	88.5	Confident	91.9	Very high	159 Å²	159	42 Å²	42	69%	0.691	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.1	-176.7	-58.1	179.2	177	179.4	0	112.7	K672 E674	K672-K692 WeakPolarHBondContact CD-O 3.38Å; E674-K692 PolarHBondContact OE2-N 2.79Å
693	G	87.7	Confident	92.2	Very high	23 Å²	23	41.8 Å²	41.8	24%	0.237	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	2.4	174.8	0	0	0	0	0	116.9	P673 K691	P673-G693 WeakPolarHBondContact O-CA 3.42Å; P673-G693 PolarHBondContact O-N 3.22Å; K691-G693 PolarHBondContact O-N 2.87Å
694	V	94.1	Very high	92.2	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.309	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.5	175.9	-61.5	0	0	0	0	110.8	W690 K691 N696 D715	W690-V694 WeakPolarHBondContact CA-O 3.2Å; K691-V694 PolarHBondContact N-O 3.47Å; K691-V694 WeakPolarHBondContact O-CG2 3.26Å; K691-V694 PolarHBondContact O-N 2.77Å; V694-N696 PolarHBondContact O-N 3.45Å; V694-D715 WeakPolarHBondContact CB-OD2 3.39Å; V694-D715 VanDerWaalsContact CG1-OD2 3.31Å; V694-D715 WeakPolarHBondContact CG1-OD2 3.38Å
695	K	95.5	Very high	92.1	Very high	36 Å²	36	46 Å²	46	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.7	174	-57.1	169.2	-156.5	79.6	0	109.4	F686 W690 W712 G714 D715	F686-K695 HydrophobicContact CD1-CD 4.46Å; F686-K695 HydrophobicContact CD1-CG 4.13Å; F686-K695 HydrophobicContact CD2-CD 3.67Å; F686-K695 HydrophobicContact CD2-CG 4.14Å; F686-K695 HydrophobicContact CE1-CB 4.28Å; F686-K695 HydrophobicContact CE1-CD 4.4Å; F686-K695 HydrophobicContact CE1-CG 3.8Å; F686-K695 HydrophobicContact CE2-CB 4.17Å; F686-K695 HydrophobicContact CE2-CD 3.62Å; F686-K695 HydrophobicContact CE2-CG 3.84Å; F686-K695 HydrophobicContact CG-CD 4.08Å; F686-K695 HydrophobicContact CG-CG 4.26Å; F686-K695 HydrophobicContact CZ-CB 3.79Å; F686-K695 HydrophobicContact CZ-CD 3.99Å; F686-K695 HydrophobicContact CZ-CG 3.64Å; W690-K695 HydrophobicContact CH2-CG 4.06Å; W690-K695 HydrophobicContact CZ2-CG 4.5Å; W690-K695 HydrophobicContact CZ3-CG 4.09Å; K695-W712 HydrophobicContact CB-CB 4.17Å; K695-W712 HydrophobicContact CB-CD2 4.23Å; K695-W712 HydrophobicContact CB-CE3 4.15Å; K695-W712 HydrophobicContact CB-CG 4.26Å; K695-W712 HydrophobicContact CD-CD2 4.21Å; K695-W712 HydrophobicContact CD-CE3 3.82Å; K695-W712 HydrophobicContact CD-CH2 4.31Å; K695-W712 HydrophobicContact CD-CZ3 3.88Å; K695-G714 PolarHBondContact O-N 3.41Å; K695-D715 WeakPolarHBondContact CB-OD1 3.27Å; K695-D715 WeakPolarHBondContact CG-OD1 3.49Å; K695-D715 PolarHBondContact N-OD1 2.94Å; K695-D715 IonicContact NZ-OD1 2.77Å; K695-D715 PolarHBondContact NZ-OD1 3.23Å; K695-D715 PolarHBondContact O-N 3.31Å; K695-D715 VanDerWaalsContact O-N 3.12Å
696	N	93.7	Very high	92.1	Very high	39 Å²	39	45.9 Å²	45.9	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	175.6	179.8	-140.4	-69.2	0	0	0	109.7	E689 K691 V694 W712	E689-N696 CarbonylContact C-O 3.56Å; E689-N696 VanDerWaalsContact CB-O 3.27Å; E689-N696 WeakPolarHBondContact CB-O 3.47Å; E689-N696 PolarHBondContact O-N 3.44Å; K691-N696 HydrophobicContact CB-CB 3.79Å; V694-N696 PolarHBondContact O-N 3.45Å; N696-W712 CarbonylContact C-O 3.45Å; N696-W712 WeakPolarHBondContact CA-O 3.26Å
697	G	93.5	Very high	92.2	Very high	14 Å²	14	45.8 Å²	45.8	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	-149.7	174.2	0	0	0	0	0	113.5	I711 W712	G697-I711 CarbonylContact O-C 3.11Å; G697-I711 WeakPolarHBondContact O-CA 3.31Å; G697-W712 PolarHBondContact N-O 2.96Å; G697-W712 PolarHBondContact O-N 3.39Å
698	Y	94.4	Very high	92.3	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.8	172.7	-179.8	-98.4	0	0	0	111.4	G688 E689 V700 I711 P812 M816 K817 V874 S878	G688-Y698 WeakPolarHBondContact CA-O 3.34Å; E689-Y698 PolarHBondContact N-O 3.28Å; Y698-V700 HydrophobicContact CE1-CG2 3.9Å; Y698-V700 WeakPolarHBondContact OH-CG2 3.39Å; Y698-I711 HydrophobicContact CD2-CD1 4.35Å; Y698-P812 HydrophobicContact CD2-CB 3.94Å; Y698-P812 HydrophobicContact CD2-CG 4.2Å; Y698-P812 HydrophobicContact CE2-CB 3.86Å; Y698-P812 HydrophobicContact CE2-CG 3.93Å; Y698-M816 WeakPolarHBondContact CB-O 3.38Å; Y698-K817 VanDerWaalsContact CD1-CA 3.49Å; Y698-K817 HydrophobicContact CD1-CB 3.82Å; Y698-K817 HydrophobicContact CD1-CG 4.02Å; Y698-K817 HydrophobicContact CD2-CG 3.95Å; Y698-K817 HydrophobicContact CE1-CB 3.78Å; Y698-K817 HydrophobicContact CE1-CD 4.04Å; Y698-K817 HydrophobicContact CE1-CG 3.71Å; Y698-K817 HydrophobicContact CE2-CD 4.17Å; Y698-K817 HydrophobicContact CE2-CG 3.66Å; Y698-K817 HydrophobicContact CG-CB 4.18Å; Y698-K817 HydrophobicContact CG-CG 4.11Å; Y698-V874 HydrophobicContact CD1-CG1 4.5Å; Y698-V874 HydrophobicContact CE1-CG1 3.92Å; Y698-S878 PolarHBondContact OH-OG 2.98Å; Y698-S878 VanDerWaalsContact OH-OG 3.08Å
699	G	94.3	Very high	92.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	157.8	171.7	0	0	0	0	0	113.6	V687 G710 W712	V687-G699 CarbonylContact O-C 3.58Å; V687-G699 WeakPolarHBondContact O-CA 2.9Å; G699-G710 PolarHBondContact N-O 2.98Å; G699-G710 PolarHBondContact O-N 3.42Å; G699-G710 VanDerWaalsContact O-N 3.14Å; G699-G710 VanDerWaalsContact O-O 3.13Å; G699-W712 PolarHBondContact O-NE1 2.8Å
700	V	94.8	Very high	92.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.2	177.7	-173.2	0	0	0	0	109.2	F686 V687 Y698 K707 Y708 L709 L877	F686-V700 CarbonylContact C-O 3.49Å; F686-V700 VanDerWaalsContact CA-O 3.28Å; F686-V700 WeakPolarHBondContact CA-O 3Å; F686-V700 WeakPolarHBondContact CD2-O 3.49Å; V687-V700 PolarHBondContact N-O 3.49Å; V687-V700 PolarHBondContact O-N 2.89Å; Y698-V700 HydrophobicContact CE1-CG2 3.9Å; Y698-V700 WeakPolarHBondContact OH-CG2 3.39Å; V700-K707 HydrophobicContact CG1-CG 4.39Å; V700-Y708 CarbonylContact C-O 2.97Å; V700-Y708 VanDerWaalsContact CA-O 3.3Å; V700-Y708 WeakPolarHBondContact CA-O 3.4Å; V700-L709 HydrophobicContact CB-CB 4.42Å; V700-L709 HydrophobicContact CG1-CB 4.09Å; V700-L709 HydrophobicContact CG2-CB 3.85Å; V700-L877 HydrophobicContact CB-CD2 3.9Å; V700-L877 HydrophobicContact CB-CG 4Å; V700-L877 HydrophobicContact CG1-CD2 4.06Å; V700-L877 HydrophobicContact CG1-CG 3.75Å
701	L	94.6	Very high	92.7	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.8	174.9	-177.1	63.6	0	0	0	109.7	L685 F686 K703 K707 Y708 W712	L685-L701 WeakPolarHBondContact O-CA 3.35Å; F686-L701 HydrophobicContact CB-CD1 3.88Å; F686-L701 HydrophobicContact CD2-CB 4.08Å; F686-L701 HydrophobicContact CD2-CD1 4.29Å; L701-K703 HydrophobicContact CD2-CD 4.49Å; L701-K703 VanDerWaalsContact CD2-CE 3.41Å; L701-K703 HydrophobicContact CD2-CG 4.45Å; L701-K703 HydrophobicContact CG-CG 4.21Å; L701-K707 CarbonylContact O-C 3.54Å; L701-K707 WeakPolarHBondContact O-CA 3.49Å; L701-Y708 PolarHBondContact N-O 3.15Å; L701-Y708 PolarHBondContact O-N 2.88Å; L701-W712 HydrophobicContact CB-CH2 3.9Å; L701-W712 HydrophobicContact CB-CZ2 3.54Å; L701-W712 HydrophobicContact CD2-CH2 3.5Å; L701-W712 HydrophobicContact CD2-CZ2 4.07Å; L701-W712 HydrophobicContact CD2-CZ3 4.44Å; L701-W712 HydrophobicContact CG-CH2 4.36Å; L701-W712 HydrophobicContact CG-CZ2 4.46Å
702	E	93.3	Very high	93	Very high	36 Å²	36	41.2 Å²	41.2	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.8	170.7	-173.4	171.1	-132.8	0	0	109.8	S684 L685 K707 L877 G881 T882	S684-E702 CarbonylContact C-O 3.53Å; S684-E702 WeakPolarHBondContact CA-O 3.35Å; S684-E702 WeakPolarHBondContact CB-O 3.43Å; L685-E702 PolarHBondContact N-O 3.02Å; L685-E702 PolarHBondContact O-N 3.41Å; E702-K707 HydrophobicContact CB-CG 4.39Å; E702-L877 HydrophobicContact CB-CD1 4.36Å; E702-G881 WeakPolarHBondContact OE1-CA 3.18Å; E702-T882 PolarHBondContact OE1-N 3.45Å
703	K	91.9	Very high	93.4	Very high	103 Å²	103	39.3 Å²	39.3	45%	0.448	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	167.4	171	-57	-175.9	-178.8	176.2	0	108.7	L701 R705 T706	L701-K703 HydrophobicContact CD2-CD 4.49Å; L701-K703 VanDerWaalsContact CD2-CE 3.41Å; L701-K703 HydrophobicContact CD2-CG 4.45Å; L701-K703 HydrophobicContact CG-CG 4.21Å; K703-R705 PolarHBondContact O-N 3.31Å; K703-T706 PolarHBondContact N-O 3.06Å; K703-T706 PolarHBondContact O-N 2.97Å
704	S	85.6	Confident	93.7	Very high	91 Å²	91	40.1 Å²	40.1	64%	0.636	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.6	-176.2	-47.4	0	0	0	0	116.1
705	R	89.2	Confident	93.7	Very high	188 Å²	188	40.5 Å²	40.5	71%	0.709	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-5.8	-179.6	-57.7	-165	-158.7	-171.3	6.2	115.3	K703 T725 L726	K703-R705 PolarHBondContact O-N 3.31Å; R705-T725 CarbonylContact O-C 3.35Å; R705-T725 WeakPolarHBondContact O-CA 3.32Å; R705-L726 HydrophobicContact CB-CB 4.32Å; R705-L726 HydrophobicContact CG-CD2 4.41Å; R705-L726 PolarHBondContact O-N 2.83Å
706	T	92.1	Very high	93.8	Very high	49 Å²	49	42.6 Å²	42.6	30%	0.301	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.1	-171	59.6	0	0	0	0	110	K703 V724 T725	K703-T706 PolarHBondContact N-O 3.06Å; K703-T706 PolarHBondContact O-N 2.97Å; T706-V724 CarbonylContact C-O 3.58Å; T706-V724 WeakPolarHBondContact CA-O 3.49Å; T706-T725 HydrophobicContact CG2-CG2 4.44Å
707	K	94.2	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.5	174	-169	-179.3	-174.6	-171.7	0	109.5	V700 L701 E702 L709 L723 V724 L877 S878 S880	V700-K707 HydrophobicContact CG1-CG 4.39Å; L701-K707 CarbonylContact O-C 3.54Å; L701-K707 WeakPolarHBondContact O-CA 3.49Å; E702-K707 HydrophobicContact CB-CG 4.39Å; K707-L709 HydrophobicContact CD-CD2 4.43Å; K707-L709 HydrophobicContact CG-CD2 4.48Å; K707-L723 CarbonylContact O-C 3.56Å; K707-L723 WeakPolarHBondContact O-CA 3.18Å; K707-V724 PolarHBondContact N-O 2.82Å; K707-V724 PolarHBondContact O-N 2.93Å; K707-L877 WeakPolarHBondContact CE-O 3.22Å; K707-L877 PolarHBondContact NZ-O 2.9Å; K707-S878 VanDerWaalsContact NZ-C 3.3Å; K707-S878 PolarHBondContact NZ-O 3.3Å; K707-S880 PolarHBondContact NZ-O 3.01Å
708	Y	94.4	Very high	94	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.5	173.3	179.4	-93.8	0	0	0	109.7	V700 L701 I711 W712 P717 V722 L723 F735	V700-Y708 CarbonylContact C-O 2.97Å; V700-Y708 VanDerWaalsContact CA-O 3.3Å; V700-Y708 WeakPolarHBondContact CA-O 3.4Å; L701-Y708 PolarHBondContact N-O 3.15Å; L701-Y708 PolarHBondContact O-N 2.88Å; Y708-I711 PolarHBondContact OH-N 3.39Å; Y708-I711 PolarHBondContact OH-O 3.17Å; Y708-W712 AromaticContact CD1-CE2 3.57Å; Y708-W712 HydrophobicContact CD1-CH2 4.16Å; Y708-W712 AromaticContact CD1-CZ2 3.33Å; Y708-W712 HydrophobicContact CD1-CZ2 3.33Å; Y708-W712 AromaticContact CD1-NE1 3.66Å; Y708-W712 HydrophobicContact CE1-CD2 4.46Å; Y708-W712 AromaticContact CE1-CE2 3.76Å; Y708-W712 AromaticContact CE1-CZ2 3.97Å; Y708-W712 HydrophobicContact CE1-CZ2 3.97Å; Y708-W712 AromaticContact CE1-NE1 3.63Å; Y708-W712 HydrophobicContact CG-CZ2 4.19Å; Y708-P717 HydrophobicContact CD1-CB 4.45Å; Y708-P717 HydrophobicContact CD1-CG 4.24Å; Y708-P717 HydrophobicContact CD2-CB 4.31Å; Y708-P717 HydrophobicContact CD2-CG 4.37Å; Y708-P717 HydrophobicContact CE1-CB 3.9Å; Y708-P717 HydrophobicContact CE1-CG 4.15Å; Y708-P717 HydrophobicContact CE2-CB 3.78Å; Y708-P717 HydrophobicContact CE2-CG 4.32Å; Y708-P717 HydrophobicContact CG-CG 4.32Å; Y708-V722 CarbonylContact C-O 3.44Å; Y708-V722 WeakPolarHBondContact CA-O 3.17Å; Y708-V722 WeakPolarHBondContact CD2-O 3.46Å; Y708-L723 HydrophobicContact CD2-CB 4.3Å; Y708-F735 HydrophobicContact CD2-CE1 4.41Å; Y708-F735 HydrophobicContact CD2-CZ 4.37Å; Y708-F735 HydrophobicContact CE2-CD1 4.06Å; Y708-F735 AromaticContact CE2-CD2 3.82Å; Y708-F735 HydrophobicContact CE2-CD2 3.82Å; Y708-F735 HydrophobicContact CE2-CE1 4.05Å; Y708-F735 AromaticContact CE2-CE2 3.84Å; Y708-F735 HydrophobicContact CE2-CE2 3.84Å; Y708-F735 AromaticContact CE2-CG 3.95Å; Y708-F735 HydrophobicContact CE2-CG 3.95Å; Y708-F735 AromaticContact CE2-CZ 3.95Å; Y708-F735 HydrophobicContact CE2-CZ 3.95Å
709	L	94.2	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	112.7	173.7	45.1	114	0	0	0	108.9	V700 K707 G721 V722 F811 L888	V700-L709 HydrophobicContact CB-CB 4.42Å; V700-L709 HydrophobicContact CG1-CB 4.09Å; V700-L709 HydrophobicContact CG2-CB 3.85Å; K707-L709 HydrophobicContact CD-CD2 4.43Å; K707-L709 HydrophobicContact CG-CD2 4.48Å; L709-G721 CarbonylContact O-C 3.44Å; L709-G721 VanDerWaalsContact O-CA 3.27Å; L709-G721 WeakPolarHBondContact O-CA 3.38Å; L709-V722 HydrophobicContact CD1-CB 3.67Å; L709-V722 HydrophobicContact CD1-CG2 3.94Å; L709-V722 HydrophobicContact CG-CB 3.95Å; L709-V722 PolarHBondContact N-O 3.48Å; L709-V722 PolarHBondContact O-N 2.8Å; L709-F811 HydrophobicContact CD1-CD2 4.41Å; L709-F811 HydrophobicContact CD1-CE2 3.4Å; L709-F811 HydrophobicContact CD1-CZ 3.88Å; L709-L888 HydrophobicContact CD1-CD2 4.24Å; L709-L888 HydrophobicContact CD2-CD1 4.39Å
710	G	94.6	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-165.1	-170.3	0	0	0	0	0	113.7	G699 W712 I720	G699-G710 PolarHBondContact N-O 2.98Å; G699-G710 PolarHBondContact O-N 3.42Å; G699-G710 VanDerWaalsContact O-N 3.14Å; G699-G710 VanDerWaalsContact O-O 3.13Å; G710-W712 VanDerWaalsContact O-CD1 3.25Å; G710-I720 WeakPolarHBondContact CA-O 3Å
711	I	95.6	Very high	93.9	Very high	39 Å²	39	45.7 Å²	45.7	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.9	-178.9	-51.9	-57.3	0	0	0	111	G697 Y698 Y708 N718 I720	G697-I711 CarbonylContact O-C 3.11Å; G697-I711 WeakPolarHBondContact O-CA 3.31Å; Y698-I711 HydrophobicContact CD2-CD1 4.35Å; Y708-I711 PolarHBondContact OH-N 3.39Å; Y708-I711 PolarHBondContact OH-O 3.17Å; I711-N718 CarbonylContact C-O 3.52Å; I711-N718 VanDerWaalsContact CB-O 3.24Å; I711-N718 WeakPolarHBondContact CB-O 3.35Å; I711-N718 WeakPolarHBondContact CG2-O 3.47Å; I711-N718 PolarHBondContact O-N 2.93Å; I711-I720 PolarHBondContact N-O 2.78Å
712	W	96.7	Very high	93.9	Very high	9 Å²	9	45 Å²	45	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.4	179.6	-65.4	82.6	0	0	0	110.3	F686 K695 N696 G697 G699 L701 Y708 G710 D715 L716 P717	F686-W712 HydrophobicContact CE2-CD2 4.24Å; F686-W712 AromaticContact CE2-CE2 3.8Å; F686-W712 HydrophobicContact CE2-CG 4.41Å; F686-W712 HydrophobicContact CE2-CZ2 4.22Å; F686-W712 AromaticContact CE2-NE1 3.72Å; K695-W712 HydrophobicContact CB-CB 4.17Å; K695-W712 HydrophobicContact CB-CD2 4.23Å; K695-W712 HydrophobicContact CB-CE3 4.15Å; K695-W712 HydrophobicContact CB-CG 4.26Å; K695-W712 HydrophobicContact CD-CD2 4.21Å; K695-W712 HydrophobicContact CD-CE3 3.82Å; K695-W712 HydrophobicContact CD-CH2 4.31Å; K695-W712 HydrophobicContact CD-CZ3 3.88Å; N696-W712 CarbonylContact C-O 3.45Å; N696-W712 WeakPolarHBondContact CA-O 3.26Å; G697-W712 PolarHBondContact N-O 2.96Å; G697-W712 PolarHBondContact O-N 3.39Å; G699-W712 PolarHBondContact O-NE1 2.8Å; L701-W712 HydrophobicContact CB-CH2 3.9Å; L701-W712 HydrophobicContact CB-CZ2 3.54Å; L701-W712 HydrophobicContact CD2-CH2 3.5Å; L701-W712 HydrophobicContact CD2-CZ2 4.07Å; L701-W712 HydrophobicContact CD2-CZ3 4.44Å; L701-W712 HydrophobicContact CG-CH2 4.36Å; L701-W712 HydrophobicContact CG-CZ2 4.46Å; Y708-W712 AromaticContact CD1-CE2 3.57Å; Y708-W712 HydrophobicContact CD1-CH2 4.16Å; Y708-W712 AromaticContact CD1-CZ2 3.33Å; Y708-W712 HydrophobicContact CD1-CZ2 3.33Å; Y708-W712 AromaticContact CD1-NE1 3.66Å; Y708-W712 HydrophobicContact CE1-CD2 4.46Å; Y708-W712 AromaticContact CE1-CE2 3.76Å; Y708-W712 AromaticContact CE1-CZ2 3.97Å; Y708-W712 HydrophobicContact CE1-CZ2 3.97Å; Y708-W712 AromaticContact CE1-NE1 3.63Å; Y708-W712 HydrophobicContact CG-CZ2 4.19Å; G710-W712 VanDerWaalsContact O-CD1 3.25Å; W712-D715 VanDerWaalsContact CZ3-O 3.32Å; W712-D715 WeakPolarHBondContact CZ3-O 3.5Å; W712-L716 WeakPolarHBondContact CA-O 3.45Å; W712-P717 HydrophobicContact CE3-CG 4.33Å; W712-P717 HydrophobicContact CH2-CG 3.92Å; W712-P717 HydrophobicContact CZ2-CG 4.49Å; W712-P717 HydrophobicContact CZ3-CG 3.85Å
713	E	96.6	Very high	93.9	Very high	119 Å²	119	44.9 Å²	44.9	56%	0.556	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	108.8	170	-171.7	-179.1	-179.1	0	0	109	L716 N718	E713-L716 PolarHBondContact N-O 3.5Å; E713-L716 PolarHBondContact O-N 3.38Å; E713-N718 HydrophobicContact CB-CB 3.87Å; E713-N718 PolarHBondContact OE2-ND2 3.22Å
714	G	94.1	Very high	94	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	53.2	177.4	0	0	0	0	0	113.1	K695 L716	K695-G714 PolarHBondContact O-N 3.41Å; G714-L716 PolarHBondContact O-N 3.1Å
715	D	95.2	Very high	94.2	Very high	60 Å²	60	37.3 Å²	37.3	32%	0.321	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	3.6	-178.4	-70.4	-52.7	0	0	0	116.9	V694 K695 W712	V694-D715 WeakPolarHBondContact CB-OD2 3.39Å; V694-D715 VanDerWaalsContact CG1-OD2 3.31Å; V694-D715 WeakPolarHBondContact CG1-OD2 3.38Å; K695-D715 WeakPolarHBondContact CB-OD1 3.27Å; K695-D715 WeakPolarHBondContact CG-OD1 3.49Å; K695-D715 PolarHBondContact N-OD1 2.94Å; K695-D715 IonicContact NZ-OD1 2.77Å; K695-D715 PolarHBondContact NZ-OD1 3.23Å; K695-D715 PolarHBondContact O-N 3.31Å; K695-D715 VanDerWaalsContact O-N 3.12Å; W712-D715 VanDerWaalsContact CZ3-O 3.32Å; W712-D715 WeakPolarHBondContact CZ3-O 3.5Å
716	L	96.5	Very high	94.2	Very high	79 Å²	79	32.6 Å²	32.6	41%	0.414	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.3	178.8	-62.4	174.3	0	0	0	111.5	W712 E713 G714 N718 D738	W712-L716 WeakPolarHBondContact CA-O 3.45Å; E713-L716 PolarHBondContact N-O 3.5Å; E713-L716 PolarHBondContact O-N 3.38Å; G714-L716 PolarHBondContact O-N 3.1Å; L716-N718 PolarHBondContact O-N 3.29Å; L716-D738 HydrophobicContact CD2-CB 4.36Å
717	P	96	Very high	93.8	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	121	166.8	-29.5	39.5	0	0	0	111.4	Y708 W712 F735 K737 D738	Y708-P717 HydrophobicContact CD1-CB 4.45Å; Y708-P717 HydrophobicContact CD1-CG 4.24Å; Y708-P717 HydrophobicContact CD2-CB 4.31Å; Y708-P717 HydrophobicContact CD2-CG 4.37Å; Y708-P717 HydrophobicContact CE1-CB 3.9Å; Y708-P717 HydrophobicContact CE1-CG 4.15Å; Y708-P717 HydrophobicContact CE2-CB 3.78Å; Y708-P717 HydrophobicContact CE2-CG 4.32Å; Y708-P717 HydrophobicContact CG-CG 4.32Å; W712-P717 HydrophobicContact CE3-CG 4.33Å; W712-P717 HydrophobicContact CH2-CG 3.92Å; W712-P717 HydrophobicContact CZ2-CG 4.49Å; W712-P717 HydrophobicContact CZ3-CG 3.85Å; P717-F735 HydrophobicContact CB-CB 4.23Å; P717-F735 HydrophobicContact CB-CD1 4.39Å; P717-F735 HydrophobicContact CB-CG 4.46Å; P717-K737 PolarHBondContact O-N 2.95Å; P717-D738 WeakPolarHBondContact CD-OD1 3.45Å; P717-D738 WeakPolarHBondContact CG-OD1 3.4Å; P717-D738 PolarHBondContact O-N 3.45Å
718	N	94.8	Very high	93.4	Very high	39 Å²	39	37.6 Å²	37.6	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	113.5	-177.7	-159.8	54.4	0	0	0	110.7	I711 E713 L716 V736 K737	I711-N718 CarbonylContact C-O 3.52Å; I711-N718 VanDerWaalsContact CB-O 3.24Å; I711-N718 WeakPolarHBondContact CB-O 3.35Å; I711-N718 WeakPolarHBondContact CG2-O 3.47Å; I711-N718 PolarHBondContact O-N 2.93Å; E713-N718 HydrophobicContact CB-CB 3.87Å; E713-N718 PolarHBondContact OE2-ND2 3.22Å; L716-N718 PolarHBondContact O-N 3.29Å; N718-V736 WeakPolarHBondContact OD1-CA 3.4Å; N718-K737 PolarHBondContact OD1-N 2.6Å; N718-K737 VanDerWaalsContact OD1-N 3.11Å
719	G	94.4	Very high	93.2	Very high	28 Å²	28	38.1 Å²	38.1	29%	0.289	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-155.8	-173.4	0	0	0	0	0	112.5	S734 F735	G719-S734 CarbonylContact O-C 3.57Å; G719-S734 WeakPolarHBondContact O-CA 3.43Å; G719-F735 PolarHBondContact N-O 2.62Å; G719-F735 PolarHBondContact O-N 3.44Å
720	I	94.9	Very high	93.1	Very high	49 Å²	49	38.1 Å²	38.1	25%	0.251	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.8	-178.1	-57.8	165.9	0	0	0	109.4	G710 I711 G733 T810 P812	G710-I720 WeakPolarHBondContact CA-O 3Å; I711-I720 PolarHBondContact N-O 2.78Å; I720-G733 CarbonylContact C-O 3.57Å; I720-G733 WeakPolarHBondContact CA-O 3.29Å; I720-T810 WeakPolarHBondContact CG2-O 3.46Å; I720-P812 HydrophobicContact CG2-CG 4.32Å
721	G	94	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	178.2	176.2	0	0	0	0	0	114.1	L709 G733 F735	L709-G721 CarbonylContact O-C 3.44Å; L709-G721 VanDerWaalsContact O-CA 3.27Å; L709-G721 WeakPolarHBondContact O-CA 3.38Å; G721-G733 PolarHBondContact N-O 2.8Å; G721-G733 PolarHBondContact O-N 3.41Å; G721-G733 VanDerWaalsContact O-O 3.12Å; G721-F735 WeakPolarHBondContact O-CE2 3.21Å
722	V	94	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.1	173.6	-174.8	0	0	0	0	109.7	Y708 L709 V724 C731 R732 F811 L888	Y708-V722 CarbonylContact C-O 3.44Å; Y708-V722 WeakPolarHBondContact CA-O 3.17Å; Y708-V722 WeakPolarHBondContact CD2-O 3.46Å; L709-V722 HydrophobicContact CD1-CB 3.67Å; L709-V722 HydrophobicContact CD1-CG2 3.94Å; L709-V722 HydrophobicContact CG-CB 3.95Å; L709-V722 PolarHBondContact N-O 3.48Å; L709-V722 PolarHBondContact O-N 2.8Å; V722-V724 HydrophobicContact CG1-CG2 3.95Å; V722-C731 CarbonylContact C-O 3.6Å; V722-C731 WeakPolarHBondContact CA-O 3.16Å; V722-R732 HydrophobicContact CG2-CB 4.12Å; V722-R732 HydrophobicContact CG2-CG 3.97Å; V722-F811 HydrophobicContact CG2-CD2 3.44Å; V722-F811 VanDerWaalsContact CG2-CD2 3.44Å; V722-F811 HydrophobicContact CG2-CE2 3.72Å; V722-L888 HydrophobicContact CG1-CD2 4.33Å; V722-L888 HydrophobicContact CG2-CD2 4.42Å
723	L	93.6	Very high	92.7	Very high	33 Å²	33	36.8 Å²	36.8	17%	0.173	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121	170.4	178.5	67.4	0	0	0	108.7	K707 Y708 C730 C731 F735	K707-L723 CarbonylContact O-C 3.56Å; K707-L723 WeakPolarHBondContact O-CA 3.18Å; Y708-L723 HydrophobicContact CD2-CB 4.3Å; L723-C730 CarbonylContact O-C 3.59Å; L723-C730 WeakPolarHBondContact O-CA 3.33Å; L723-C731 HydrophobicContact CB-CB 4.24Å; L723-C731 PolarHBondContact N-O 2.95Å; L723-C731 PolarHBondContact O-N 2.66Å; L723-F735 HydrophobicContact CB-CE1 4.14Å; L723-F735 HydrophobicContact CB-CZ 3.79Å
724	V	93.2	Very high	92.6	Very high	4 Å²	4	33 Å²	33	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.5	173.8	-172.5	0	0	0	0	108.9	T706 K707 V722 V729 C730 G883 H885	T706-V724 CarbonylContact C-O 3.58Å; T706-V724 WeakPolarHBondContact CA-O 3.49Å; K707-V724 PolarHBondContact N-O 2.82Å; K707-V724 PolarHBondContact O-N 2.93Å; V722-V724 HydrophobicContact CG1-CG2 3.95Å; V724-V729 WeakPolarHBondContact CA-O 3.32Å; V724-C730 HydrophobicContact CG2-CB 4.39Å; V724-G883 WeakPolarHBondContact CB-O 3.44Å; V724-G883 WeakPolarHBondContact CG1-O 3.16Å; V724-G883 WeakPolarHBondContact CG2-O 3.44Å; V724-H885 HydrophobicContact CG1-CB 4.04Å; V724-H885 HydrophobicContact CG2-CB 4.14Å
725	T	90.6	Very high	92.7	Very high	31 Å²	31	31.4 Å²	31.4	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	156.3	174.5	67.2	0	0	0	0	110.4	R705 T706 D727 G728 V729	R705-T725 CarbonylContact O-C 3.35Å; R705-T725 WeakPolarHBondContact O-CA 3.32Å; T706-T725 HydrophobicContact CG2-CG2 4.44Å; T725-D727 PolarHBondContact O-N 3.21Å; T725-G728 PolarHBondContact O-N 3.25Å; T725-G728 VanDerWaalsContact O-N 3.09Å; T725-V729 HydrophobicContact CG2-CB 4.29Å; T725-V729 PolarHBondContact N-O 3.23Å; T725-V729 VanDerWaalsContact OG1-CB 3.27Å; T725-V729 WeakPolarHBondContact OG1-CB 3.31Å; T725-V729 PolarHBondContact OG1-N 2.91Å; T725-V729 VanDerWaalsContact OG1-N 3.09Å; T725-V729 PolarHBondContact OG1-O 3.26Å
726	L	87.9	Confident	92.7	Very high	90 Å²	90	31.8 Å²	31.8	47%	0.471	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.8	176.5	-176.2	66.1	0	0	0	112.6	R705 G728	R705-L726 HydrophobicContact CB-CB 4.32Å; R705-L726 HydrophobicContact CG-CD2 4.41Å; R705-L726 PolarHBondContact O-N 2.83Å; L726-G728 PolarHBondContact O-N 2.79Å
727	D	85.2	Confident	92.5	Very high	128 Å²	128	35.3 Å²	35.3	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	0.2	-179.6	-56.8	-30.4	0	0	0	112.7	T725 P748	T725-D727 PolarHBondContact O-N 3.21Å; D727-P748 WeakPolarHBondContact O-CG 3.02Å
728	G	84.2	Confident	92.3	Very high	26 Å²	26	40 Å²	40	27%	0.268	23%	0.225	S	C	.	.	S	Bend	trans	93.1	1.9	176.4	0	0	0	0	0	115	T725 L726	T725-G728 PolarHBondContact O-N 3.25Å; T725-G728 VanDerWaalsContact O-N 3.09Å; L726-G728 PolarHBondContact O-N 2.79Å
729	V	90.6	Very high	92.3	Very high	21 Å²	21	39.8 Å²	39.8	13%	0.127	23%	0.227	C	C	.	.			trans	-71.7	131.6	172.1	-176.7	0	0	0	0	109.5	V724 T725 L745 Y746 L747 P748	V724-V729 WeakPolarHBondContact CA-O 3.32Å; T725-V729 HydrophobicContact CG2-CB 4.29Å; T725-V729 PolarHBondContact N-O 3.23Å; T725-V729 VanDerWaalsContact OG1-CB 3.27Å; T725-V729 WeakPolarHBondContact OG1-CB 3.31Å; T725-V729 PolarHBondContact OG1-N 2.91Å; T725-V729 VanDerWaalsContact OG1-N 3.09Å; T725-V729 PolarHBondContact OG1-O 3.26Å; V729-L745 HydrophobicContact CG1-CD1 3.45Å; V729-L745 VanDerWaalsContact CG1-CD1 3.45Å; V729-L745 HydrophobicContact CG1-CG 4.44Å; V729-Y746 WeakPolarHBondContact CA-O 3.38Å; V729-L747 HydrophobicContact CG1-CD2 4.38Å; V729-L747 HydrophobicContact CG2-CD2 4.37Å; V729-P748 HydrophobicContact CG2-CG 4.09Å
730	C	92.4	Very high	92.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.2	176.9	175	0	0	0	0	111.3	L723 V724 L745 Y746 H885	L723-C730 CarbonylContact O-C 3.59Å; L723-C730 WeakPolarHBondContact O-CA 3.33Å; V724-C730 HydrophobicContact CG2-CB 4.39Å; C730-L745 WeakPolarHBondContact O-CA 3.3Å; C730-Y746 HydrophobicContact CB-CD2 4.17Å; C730-Y746 PolarHBondContact N-O 2.91Å; C730-Y746 WeakPolarHBondContact O-CD2 3.45Å; C730-Y746 PolarHBondContact O-N 2.96Å; C730-H885 HydrophobicContact CB-CB 4.34Å
731	C	92.7	Very high	92.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.1	175.5	-46.1	0	0	0	0	109.5	V722 L723 F735 F740 L745	V722-C731 CarbonylContact C-O 3.6Å; V722-C731 WeakPolarHBondContact CA-O 3.16Å; L723-C731 HydrophobicContact CB-CB 4.24Å; L723-C731 PolarHBondContact N-O 2.95Å; L723-C731 PolarHBondContact O-N 2.66Å; C731-F735 HydrophobicContact CB-CZ 4.28Å; C731-F740 HydrophobicContact CB-CD1 4.12Å; C731-F740 HydrophobicContact CB-CD2 4.08Å; C731-F740 HydrophobicContact CB-CE1 4.1Å; C731-F740 HydrophobicContact CB-CE2 4.09Å; C731-F740 HydrophobicContact CB-CG 4.09Å; C731-F740 HydrophobicContact CB-CZ 4.09Å; C731-L745 HydrophobicContact CB-CD1 4.29Å; C731-L745 WeakPolarHBondContact SG-CD1 3.46Å
732	R	93.3	Very high	92.3	Very high	15 Å²	15	47 Å²	47	6%	0.057	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	177.3	174.7	175.9	177.9	144.1	1.3	110.1	V722 G743 V744 T810 F811 D891	V722-R732 HydrophobicContact CG2-CB 4.12Å; V722-R732 HydrophobicContact CG2-CG 3.97Å; R732-G743 CarbonylContact O-C 3.57Å; R732-G743 VanDerWaalsContact O-CA 3.25Å; R732-G743 WeakPolarHBondContact O-CA 3Å; R732-V744 PolarHBondContact N-O 3.24Å; R732-V744 PolarHBondContact O-N 3.44Å; R732-T810 VanDerWaalsContact CG-O 3.27Å; R732-T810 WeakPolarHBondContact CG-O 3.43Å; R732-T810 PolarHBondContact NE-OG1 3.33Å; R732-F811 VanDerWaalsContact CZ-CB 3.49Å; R732-D891 IonicContact CZ-OD1 2.77Å; R732-D891 VanDerWaalsContact CZ-OD1 3.3Å; R732-D891 IonicContact CZ-OD2 2.64Å; R732-D891 VanDerWaalsContact NH1-CG 3.27Å; R732-D891 IonicContact NH1-OD1 2.94Å; R732-D891 PolarHBondContact NH1-OD1 3.32Å; R732-D891 IonicContact NH1-OD2 3.55Å; R732-D891 PolarHBondContact NH1-OD2 3.28Å; R732-D891 IonicContact NH2-OD1 3.28Å; R732-D891 PolarHBondContact NH2-OD1 3.14Å; R732-D891 IonicContact NH2-OD2 3.83Å
733	G	93.4	Very high	92.3	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151	-144.3	178.7	0	0	0	0	0	113.4	I720 G721 K742	I720-G733 CarbonylContact C-O 3.57Å; I720-G733 WeakPolarHBondContact CA-O 3.29Å; G721-G733 PolarHBondContact N-O 2.8Å; G721-G733 PolarHBondContact O-N 3.41Å; G721-G733 VanDerWaalsContact O-O 3.12Å; G733-K742 CarbonylContact C-O 3.57Å; G733-K742 WeakPolarHBondContact CA-O 3.06Å
734	S	94.6	Very high	92.2	Very high	41 Å²	41	46 Å²	46	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.3	-174.2	65.7	0	0	0	0	113.2	G719 R741 K742	G719-S734 CarbonylContact O-C 3.57Å; G719-S734 WeakPolarHBondContact O-CA 3.43Å; S734-R741 PolarHBondContact O-N 3.05Å; S734-K742 PolarHBondContact N-O 2.91Å; S734-K742 PolarHBondContact OG-O 2.9Å
735	F	95.6	Very high	92.2	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.3	174.4	-68.6	-101.8	0	0	0	108.9	Y708 P717 G719 G721 L723 C731 S739 F740	Y708-F735 HydrophobicContact CD2-CE1 4.41Å; Y708-F735 HydrophobicContact CD2-CZ 4.37Å; Y708-F735 HydrophobicContact CE2-CD1 4.06Å; Y708-F735 AromaticContact CE2-CD2 3.82Å; Y708-F735 HydrophobicContact CE2-CD2 3.82Å; Y708-F735 HydrophobicContact CE2-CE1 4.05Å; Y708-F735 AromaticContact CE2-CE2 3.84Å; Y708-F735 HydrophobicContact CE2-CE2 3.84Å; Y708-F735 AromaticContact CE2-CG 3.95Å; Y708-F735 HydrophobicContact CE2-CG 3.95Å; Y708-F735 AromaticContact CE2-CZ 3.95Å; Y708-F735 HydrophobicContact CE2-CZ 3.95Å; P717-F735 HydrophobicContact CB-CB 4.23Å; P717-F735 HydrophobicContact CB-CD1 4.39Å; P717-F735 HydrophobicContact CB-CG 4.46Å; G719-F735 PolarHBondContact N-O 2.62Å; G719-F735 PolarHBondContact O-N 3.44Å; G721-F735 WeakPolarHBondContact O-CE2 3.21Å; L723-F735 HydrophobicContact CB-CE1 4.14Å; L723-F735 HydrophobicContact CB-CZ 3.79Å; C731-F735 HydrophobicContact CB-CZ 4.28Å; F735-S739 CarbonylContact C-O 3.54Å; F735-S739 WeakPolarHBondContact CA-O 3.39Å; F735-F740 HydrophobicContact CD1-CB 4.27Å; F735-F740 HydrophobicContact CD2-CD2 4.35Å; F735-F740 HydrophobicContact CE1-CB 3.9Å; F735-F740 HydrophobicContact CE1-CD2 4.19Å; F735-F740 HydrophobicContact CE1-CG 4.47Å; F735-F740 AromaticContact CE2-CD2 3.83Å; F735-F740 HydrophobicContact CE2-CD2 3.83Å; F735-F740 HydrophobicContact CE2-CE2 4.39Å; F735-F740 HydrophobicContact CZ-CB 4.27Å; F735-F740 AromaticContact CZ-CD2 3.74Å; F735-F740 HydrophobicContact CZ-CD2 3.74Å; F735-F740 HydrophobicContact CZ-CG 4.37Å
736	V	95.5	Very high	92.2	Very high	67 Å²	67	46 Å²	46	41%	0.406	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	110.4	173.1	179.4	0	0	0	0	107.5	N718 S739 R741	N718-V736 WeakPolarHBondContact OD1-CA 3.4Å; V736-S739 PolarHBondContact N-O 2.99Å; V736-S739 WeakPolarHBondContact O-CB 3.26Å; V736-S739 PolarHBondContact O-N 2.81Å; V736-R741 HydrophobicContact CB-CG 3.81Å; V736-R741 HydrophobicContact CG2-CB 4.47Å; V736-R741 HydrophobicContact CG2-CG 3.73Å
737	K	92.3	Very high	92.3	Very high	153 Å²	153	43 Å²	43	67%	0.665	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	62.1	-177.7	-58.7	-179	177.9	-177.6	0	111.9	P717 N718 S739	P717-K737 PolarHBondContact O-N 2.95Å; N718-K737 PolarHBondContact OD1-N 2.6Å; N718-K737 VanDerWaalsContact OD1-N 3.11Å; K737-S739 PolarHBondContact O-N 3.38Å; K737-S739 VanDerWaalsContact O-N 3.09Å
738	D	92.1	Very high	92.4	Very high	105 Å²	105	41 Å²	41	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	-2.3	179	-159.7	40.8	0	0	0	115.9	L716 P717	L716-D738 HydrophobicContact CD2-CB 4.36Å; P717-D738 WeakPolarHBondContact CD-OD1 3.45Å; P717-D738 WeakPolarHBondContact CG-OD1 3.4Å; P717-D738 PolarHBondContact O-N 3.45Å
739	S	94.8	Very high	92.5	Very high	35 Å²	35	44.1 Å²	44.1	25%	0.245	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.1	178.6	-58.1	0	0	0	0	111.9	F735 V736 K737 R741	F735-S739 CarbonylContact C-O 3.54Å; F735-S739 WeakPolarHBondContact CA-O 3.39Å; V736-S739 PolarHBondContact N-O 2.99Å; V736-S739 WeakPolarHBondContact O-CB 3.26Å; V736-S739 PolarHBondContact O-N 2.81Å; K737-S739 PolarHBondContact O-N 3.38Å; K737-S739 VanDerWaalsContact O-N 3.09Å; S739-R741 PolarHBondContact O-N 2.87Å
740	F	94.4	Very high	92.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.8	171.1	-176.7	-122.7	0	0	0	110.7	C731 F735 F757 A758 N759	C731-F740 HydrophobicContact CB-CD1 4.12Å; C731-F740 HydrophobicContact CB-CD2 4.08Å; C731-F740 HydrophobicContact CB-CE1 4.1Å; C731-F740 HydrophobicContact CB-CE2 4.09Å; C731-F740 HydrophobicContact CB-CG 4.09Å; C731-F740 HydrophobicContact CB-CZ 4.09Å; F735-F740 HydrophobicContact CD1-CB 4.27Å; F735-F740 HydrophobicContact CD2-CD2 4.35Å; F735-F740 HydrophobicContact CE1-CB 3.9Å; F735-F740 HydrophobicContact CE1-CD2 4.19Å; F735-F740 HydrophobicContact CE1-CG 4.47Å; F735-F740 AromaticContact CE2-CD2 3.83Å; F735-F740 HydrophobicContact CE2-CD2 3.83Å; F735-F740 HydrophobicContact CE2-CE2 4.39Å; F735-F740 HydrophobicContact CZ-CB 4.27Å; F735-F740 AromaticContact CZ-CD2 3.74Å; F735-F740 HydrophobicContact CZ-CD2 3.74Å; F735-F740 HydrophobicContact CZ-CG 4.37Å; F740-F757 HydrophobicContact CD1-CB 3.87Å; F740-F757 HydrophobicContact CD1-CD1 4.1Å; F740-F757 AromaticContact CD1-CD2 3.76Å; F740-F757 HydrophobicContact CD1-CD2 3.76Å; F740-F757 HydrophobicContact CD1-CE2 4.31Å; F740-F757 AromaticContact CD1-CG 3.64Å; F740-F757 HydrophobicContact CD1-CG 3.64Å; F740-F757 HydrophobicContact CE1-CB 4.33Å; F740-F757 HydrophobicContact CE1-CD1 4.06Å; F740-F757 AromaticContact CE1-CD2 3.3Å; F740-F757 HydrophobicContact CE1-CD2 3.3Å; F740-F757 HydrophobicContact CE1-CE1 4.17Å; F740-F757 AromaticContact CE1-CE2 3.45Å; F740-F757 HydrophobicContact CE1-CE2 3.45Å; F740-F757 VanDerWaalsContact CE1-CE2 3.45Å; F740-F757 AromaticContact CE1-CG 3.64Å; F740-F757 HydrophobicContact CE1-CG 3.64Å; F740-F757 AromaticContact CE1-CZ 3.89Å; F740-F757 HydrophobicContact CE1-CZ 3.89Å; F740-F757 HydrophobicContact CZ-CD2 4.07Å; F740-F757 HydrophobicContact CZ-CE2 4.07Å; F740-F757 WeakPolarHBondContact O-CB 3.2Å; F740-A758 CarbonylContact O-C 3.51Å; F740-N759 VanDerWaalsContact O-CA 3.32Å; F740-N759 WeakPolarHBondContact O-CA 3.46Å; F740-N759 PolarHBondContact O-N 3.36Å
741	R	95	Very high	92	Very high	103 Å²	103	47.8 Å²	47.8	39%	0.389	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-37.9	-171.8	-65.5	-55	-175.5	171.7	-4.7	114.4	S734 V736 S739 E756 F757 A758	S734-R741 PolarHBondContact O-N 3.05Å; V736-R741 HydrophobicContact CB-CG 3.81Å; V736-R741 HydrophobicContact CG2-CB 4.47Å; V736-R741 HydrophobicContact CG2-CG 3.73Å; S739-R741 PolarHBondContact O-N 2.87Å; R741-E756 WeakPolarHBondContact O-CA 3.42Å; R741-F757 WeakPolarHBondContact CA-O 3.19Å; R741-F757 PolarHBondContact O-N 3.38Å; R741-A758 PolarHBondContact NH1-O 2.85Å
742	K	93.2	Very high	92	Very high	124 Å²	124	48.4 Å²	48.4	54%	0.539	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	137.3	-177.3	-172.6	178.4	178.8	178.4	0	110.2	G733 S734 G755	G733-K742 CarbonylContact C-O 3.57Å; G733-K742 WeakPolarHBondContact CA-O 3.06Å; S734-K742 PolarHBondContact N-O 2.91Å; S734-K742 PolarHBondContact OG-O 2.9Å; K742-G755 VanDerWaalsContact CA-O 3.32Å; K742-G755 WeakPolarHBondContact CA-O 3.25Å
743	G	92.9	Very high	91.9	Very high	9 Å²	9	47.9 Å²	47.9	9%	0.093	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-147.9	177.1	0	0	0	0	0	113.3	R732 K754 G755	R732-G743 CarbonylContact O-C 3.57Å; R732-G743 VanDerWaalsContact O-CA 3.25Å; R732-G743 WeakPolarHBondContact O-CA 3Å; G743-K754 CarbonylContact O-C 3.5Å; G743-K754 WeakPolarHBondContact O-CA 3.07Å; G743-G755 PolarHBondContact N-O 2.73Å; G743-G755 PolarHBondContact O-N 3.41Å
744	V	92.7	Very high	91.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	178.5	-172.5	0	0	0	0	109.3	R732 Y746 V752 V753 K754	R732-V744 PolarHBondContact N-O 3.24Å; R732-V744 PolarHBondContact O-N 3.44Å; V744-Y746 HydrophobicContact CB-CE2 4.2Å; V744-Y746 HydrophobicContact CG1-CD2 4.28Å; V744-Y746 HydrophobicContact CG1-CE1 4.19Å; V744-Y746 HydrophobicContact CG1-CE2 3.66Å; V744-V752 HydrophobicContact CG1-CG1 3.43Å; V744-V752 VanDerWaalsContact CG1-CG1 3.43Å; V744-V753 CarbonylContact C-O 3.6Å; V744-V753 WeakPolarHBondContact CA-O 3.28Å; V744-K754 HydrophobicContact CG2-CB 4.29Å; V744-K754 HydrophobicContact CG2-CD 4.37Å; V744-K754 HydrophobicContact CG2-CG 4.08Å
745	L	92.2	Very high	91.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	174.3	179.2	70.3	0	0	0	108.8	V729 C730 C731 L747 V752 V753 F757 I785	V729-L745 HydrophobicContact CG1-CD1 3.45Å; V729-L745 VanDerWaalsContact CG1-CD1 3.45Å; V729-L745 HydrophobicContact CG1-CG 4.44Å; C730-L745 WeakPolarHBondContact O-CA 3.3Å; C731-L745 HydrophobicContact CB-CD1 4.29Å; C731-L745 WeakPolarHBondContact SG-CD1 3.46Å; L745-L747 HydrophobicContact CD2-CD2 3.99Å; L745-L747 HydrophobicContact CD2-CG 4.44Å; L745-L747 HydrophobicContact CG-CD2 4.16Å; L745-L747 HydrophobicContact CG-CG 4.45Å; L745-V752 CarbonylContact O-C 3.5Å; L745-V752 WeakPolarHBondContact O-CA 3.13Å; L745-V753 HydrophobicContact CB-CB 4.28Å; L745-V753 PolarHBondContact N-O 2.78Å; L745-V753 PolarHBondContact O-N 2.88Å; L745-F757 HydrophobicContact CB-CE1 4.01Å; L745-F757 HydrophobicContact CB-CZ 3.8Å; L745-F757 HydrophobicContact CD2-CE1 3.91Å; L745-I785 HydrophobicContact CD2-CD1 3.3Å
746	Y	91	Very high	91.6	Very high	35 Å²	35	53.6 Å²	53.6	14%	0.137	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.3	171.4	-58.7	-89.8	0	0	0	108.8	V729 C730 V744 V752 V806 H885 C887	V729-Y746 WeakPolarHBondContact CA-O 3.38Å; C730-Y746 HydrophobicContact CB-CD2 4.17Å; C730-Y746 PolarHBondContact N-O 2.91Å; C730-Y746 WeakPolarHBondContact O-CD2 3.45Å; C730-Y746 PolarHBondContact O-N 2.96Å; V744-Y746 HydrophobicContact CB-CE2 4.2Å; V744-Y746 HydrophobicContact CG1-CD2 4.28Å; V744-Y746 HydrophobicContact CG1-CE1 4.19Å; V744-Y746 HydrophobicContact CG1-CE2 3.66Å; Y746-V752 HydrophobicContact CD1-CB 4.46Å; Y746-V752 HydrophobicContact CD1-CG1 4.02Å; Y746-V752 HydrophobicContact CD1-CG2 3.7Å; Y746-V752 HydrophobicContact CE1-CG1 3.84Å; Y746-V752 HydrophobicContact CE1-CG2 3.98Å; Y746-V806 WeakPolarHBondContact OH-CG2 3.48Å; Y746-H885 AromaticContact CG-CE1 3.97Å; Y746-C887 HydrophobicContact CE2-CB 4.24Å
747	L	90.3	Very high	91.6	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	26%	0.263	C	S	.	.			trans	-101.2	154.5	177.1	-64.8	173.9	0	0	0	111	V729 L745 D749 G750 M751 V753 I785	V729-L747 HydrophobicContact CG1-CD2 4.38Å; V729-L747 HydrophobicContact CG2-CD2 4.37Å; L745-L747 HydrophobicContact CD2-CD2 3.99Å; L745-L747 HydrophobicContact CD2-CG 4.44Å; L745-L747 HydrophobicContact CG-CD2 4.16Å; L745-L747 HydrophobicContact CG-CG 4.45Å; L747-D749 VanDerWaalsContact CB-OD1 3.24Å; L747-D749 WeakPolarHBondContact CB-OD1 3.22Å; L747-D749 PolarHBondContact O-N 3.32Å; L747-G750 PolarHBondContact O-N 3.26Å; L747-M751 HydrophobicContact CB-CB 4.3Å; L747-M751 HydrophobicContact CD1-CB 4.05Å; L747-M751 PolarHBondContact N-O 2.83Å; L747-V753 HydrophobicContact CD1-CG2 4.45Å; L747-I785 HydrophobicContact CD1-CG2 3.87Å
748	P	87.8	Confident	91.5	Very high	85 Å²	85	44.7 Å²	44.7	55%	0.552	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.6	-175.5	-22.6	35.2	0	0	0	114.3	D727 V729 G750	D727-P748 WeakPolarHBondContact O-CG 3.02Å; V729-P748 HydrophobicContact CG2-CG 4.09Å; P748-G750 PolarHBondContact O-N 3.02Å
749	D	85.7	Confident	91.4	Very high	93 Å²	93	42.5 Å²	42.5	50%	0.497	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	176.7	64.8	-4.9	0	0	0	113.4	L747 M751 P772	L747-D749 VanDerWaalsContact CB-OD1 3.24Å; L747-D749 WeakPolarHBondContact CB-OD1 3.22Å; L747-D749 PolarHBondContact O-N 3.32Å; D749-M751 WeakPolarHBondContact OD1-CB 2.94Å; D749-M751 PolarHBondContact OD1-N 2.84Å; D749-P772 VanDerWaalsContact O-CG 3.3Å; D749-P772 WeakPolarHBondContact O-CG 3.01Å
750	G	84.3	Confident	90.9	Very high	42 Å²	42	42.9 Å²	42.9	43%	0.433	23%	0.233	S	C	.	.	S	Bend	trans	86.7	1	-178.8	0	0	0	0	0	114.3	L747 P748	L747-G750 PolarHBondContact O-N 3.26Å; P748-G750 PolarHBondContact O-N 3.02Å
751	M	89.2	Confident	90.6	Very high	55 Å²	55	46.9 Å²	46.9	27%	0.271	25%	0.252	S	S	.	.			trans	-68	139.8	169.6	-67.4	-166.9	-161.7	0	0	110.5	L747 D749 Y770 F771	L747-M751 HydrophobicContact CB-CB 4.3Å; L747-M751 HydrophobicContact CD1-CB 4.05Å; L747-M751 PolarHBondContact N-O 2.83Å; D749-M751 WeakPolarHBondContact OD1-CB 2.94Å; D749-M751 PolarHBondContact OD1-N 2.84Å; M751-Y770 WeakPolarHBondContact CA-O 3.49Å; M751-F771 HydrophobicContact CE-CD1 3.79Å; M751-F771 HydrophobicContact CE-CE1 3.86Å; M751-F771 HydrophobicContact CG-CD1 4.15Å; M751-F771 HydrophobicContact SD-CD1 3.78Å; M751-F771 HydrophobicContact SD-CE1 3.72Å
752	V	90.8	Very high	90.4	Very high	15 Å²	15	43.4 Å²	43.4	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.5	176.7	-175.6	0	0	0	0	108.7	V744 L745 Y746 Y770 I804	V744-V752 HydrophobicContact CG1-CG1 3.43Å; V744-V752 VanDerWaalsContact CG1-CG1 3.43Å; L745-V752 CarbonylContact O-C 3.5Å; L745-V752 WeakPolarHBondContact O-CA 3.13Å; Y746-V752 HydrophobicContact CD1-CB 4.46Å; Y746-V752 HydrophobicContact CD1-CG1 4.02Å; Y746-V752 HydrophobicContact CD1-CG2 3.7Å; Y746-V752 HydrophobicContact CE1-CG1 3.84Å; Y746-V752 HydrophobicContact CE1-CG2 3.98Å; V752-Y770 HydrophobicContact CB-CD2 4.46Å; V752-Y770 PolarHBondContact N-O 2.95Å; V752-Y770 WeakPolarHBondContact O-CD2 3.41Å; V752-Y770 PolarHBondContact O-N 3.43Å; V752-I804 HydrophobicContact CB-CD1 3.77Å; V752-I804 HydrophobicContact CG1-CD1 3.97Å; V752-I804 HydrophobicContact CG1-CG2 4.37Å; V752-I804 HydrophobicContact CG2-CD1 3.94Å
753	V	91.4	Very high	90.4	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.7	-178.7	-171.9	0	0	0	0	109.7	V744 L745 L747 F757 L763 A767 A768 V769	V744-V753 CarbonylContact C-O 3.6Å; V744-V753 WeakPolarHBondContact CA-O 3.28Å; L745-V753 HydrophobicContact CB-CB 4.28Å; L745-V753 PolarHBondContact N-O 2.78Å; L745-V753 PolarHBondContact O-N 2.88Å; L747-V753 HydrophobicContact CD1-CG2 4.45Å; V753-F757 HydrophobicContact CB-CZ 4.3Å; V753-F757 HydrophobicContact CG1-CE1 4.32Å; V753-F757 HydrophobicContact CG1-CZ 4Å; V753-L763 HydrophobicContact CG1-CD1 4.15Å; V753-L763 HydrophobicContact CG1-CD2 3.73Å; V753-L763 HydrophobicContact CG1-CG 4.47Å; V753-A767 HydrophobicContact CG1-CB 4.32Å; V753-A768 CarbonylContact C-O 2.8Å; V753-A768 WeakPolarHBondContact CA-O 3.47Å; V753-V769 HydrophobicContact CG1-CG2 3.99Å; V753-V769 HydrophobicContact CG2-CG1 4.27Å; V753-V769 HydrophobicContact CG2-CG2 4.19Å
754	K	91.5	Very high	90.4	Very high	80 Å²	80	41.2 Å²	41.2	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.8	176.4	-179.6	175	-176.9	174.7	0	109.6	G743 V744 A767 A768 Y770 V805	G743-K754 CarbonylContact O-C 3.5Å; G743-K754 WeakPolarHBondContact O-CA 3.07Å; V744-K754 HydrophobicContact CG2-CB 4.29Å; V744-K754 HydrophobicContact CG2-CD 4.37Å; V744-K754 HydrophobicContact CG2-CG 4.08Å; K754-A767 CarbonylContact O-C 3.52Å; K754-A767 WeakPolarHBondContact O-CA 3.06Å; K754-A768 PolarHBondContact N-O 2.7Å; K754-A768 PolarHBondContact O-N 3.27Å; K754-Y770 HydrophobicContact CB-CE2 4.23Å; K754-V805 PolarHBondContact NZ-O 3.19Å
755	G	92.2	Very high	90.4	Very high	12 Å²	12	41.4 Å²	41.4	12%	0.124	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-155.2	-178.1	0	0	0	0	0	116	K742 G743 F757 K766	K742-G755 VanDerWaalsContact CA-O 3.32Å; K742-G755 WeakPolarHBondContact CA-O 3.25Å; G743-G755 PolarHBondContact N-O 2.73Å; G743-G755 PolarHBondContact O-N 3.41Å; G755-F757 VanDerWaalsContact O-CD2 3.27Å; G755-F757 WeakPolarHBondContact O-CD2 3.43Å; G755-F757 VanDerWaalsContact O-CE2 3.23Å; G755-F757 WeakPolarHBondContact O-CE2 3.28Å; G755-K766 CarbonylContact C-O 3.53Å; G755-K766 WeakPolarHBondContact CA-O 3.21Å
756	E	94.6	Very high	90.5	Very high	77 Å²	77	48.4 Å²	48.4	36%	0.36	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136	178.7	-66.5	170.6	174.2	0	0	111.3	R741 N764 G765 K766	R741-E756 WeakPolarHBondContact O-CA 3.42Å; E756-N764 WeakPolarHBondContact CB-O 3.47Å; E756-N764 PolarHBondContact O-N 3.06Å; E756-G765 WeakPolarHBondContact OE2-CA 3.36Å; E756-K766 PolarHBondContact N-O 3.14Å; E756-K766 PolarHBondContact OE2-N 3.38Å; E756-K766 VanDerWaalsContact OE2-N 3.14Å
757	F	94.6	Very high	90.5	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.2	-170.8	-63.3	-92.6	0	0	0	110.1	F740 R741 L745 V753 G755 N759 C762 L763 I785	F740-F757 HydrophobicContact CD1-CB 3.87Å; F740-F757 HydrophobicContact CD1-CD1 4.1Å; F740-F757 AromaticContact CD1-CD2 3.76Å; F740-F757 HydrophobicContact CD1-CD2 3.76Å; F740-F757 HydrophobicContact CD1-CE2 4.31Å; F740-F757 AromaticContact CD1-CG 3.64Å; F740-F757 HydrophobicContact CD1-CG 3.64Å; F740-F757 HydrophobicContact CE1-CB 4.33Å; F740-F757 HydrophobicContact CE1-CD1 4.06Å; F740-F757 AromaticContact CE1-CD2 3.3Å; F740-F757 HydrophobicContact CE1-CD2 3.3Å; F740-F757 HydrophobicContact CE1-CE1 4.17Å; F740-F757 AromaticContact CE1-CE2 3.45Å; F740-F757 HydrophobicContact CE1-CE2 3.45Å; F740-F757 VanDerWaalsContact CE1-CE2 3.45Å; F740-F757 AromaticContact CE1-CG 3.64Å; F740-F757 HydrophobicContact CE1-CG 3.64Å; F740-F757 AromaticContact CE1-CZ 3.89Å; F740-F757 HydrophobicContact CE1-CZ 3.89Å; F740-F757 HydrophobicContact CZ-CD2 4.07Å; F740-F757 HydrophobicContact CZ-CE2 4.07Å; F740-F757 WeakPolarHBondContact O-CB 3.2Å; R741-F757 WeakPolarHBondContact CA-O 3.19Å; R741-F757 PolarHBondContact O-N 3.38Å; L745-F757 HydrophobicContact CB-CE1 4.01Å; L745-F757 HydrophobicContact CB-CZ 3.8Å; L745-F757 HydrophobicContact CD2-CE1 3.91Å; V753-F757 HydrophobicContact CB-CZ 4.3Å; V753-F757 HydrophobicContact CG1-CE1 4.32Å; V753-F757 HydrophobicContact CG1-CZ 4Å; G755-F757 VanDerWaalsContact O-CD2 3.27Å; G755-F757 WeakPolarHBondContact O-CD2 3.43Å; G755-F757 VanDerWaalsContact O-CE2 3.23Å; G755-F757 WeakPolarHBondContact O-CE2 3.28Å; F757-N759 WeakPolarHBondContact CB-O 3.29Å; F757-C762 CarbonylContact C-O 3.58Å; F757-C762 WeakPolarHBondContact CA-O 3.27Å; F757-L763 HydrophobicContact CD1-CD2 3.78Å; F757-L763 HydrophobicContact CD1-CG 4.44Å; F757-L763 HydrophobicContact CE1-CD2 3.45Å; F757-L763 VanDerWaalsContact CE1-CD2 3.45Å; F757-L763 HydrophobicContact CE1-CG 4.25Å; F757-L763 HydrophobicContact CG-CD2 4.47Å; F757-L763 HydrophobicContact CZ-CD2 3.89Å; F757-I785 HydrophobicContact CE1-CD1 4.12Å
758	A	91	Very high	90.6	Very high	28 Å²	28	46.4 Å²	46.4	23%	0.231	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-37	165.4	0	0	0	0	0	110.8	F740 R741 C762 N764	F740-A758 CarbonylContact O-C 3.51Å; R741-A758 PolarHBondContact NH1-O 2.85Å; A758-C762 HydrophobicContact CB-CB 4.05Å; A758-C762 PolarHBondContact N-O 2.83Å; A758-N764 HydrophobicContact CB-CB 3.89Å
759	N	89.9	Confident	90.7	Very high	59 Å²	59	43 Å²	43	32%	0.316	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-172.7	176.8	59.7	32.2	0	0	0	109	F740 F757 E761 C762	F740-N759 VanDerWaalsContact O-CA 3.32Å; F740-N759 WeakPolarHBondContact O-CA 3.46Å; F740-N759 PolarHBondContact O-N 3.36Å; F757-N759 WeakPolarHBondContact CB-O 3.29Å; N759-E761 PolarHBondContact O-N 3.21Å; N759-E761 PolarHBondContact OD1-N 2.95Å; N759-C762 PolarHBondContact O-N 2.69Å; N759-C762 WeakPolarHBondContact OD1-CB 3.18Å; N759-C762 PolarHBondContact OD1-N 3.24Å
760	S	85.1	Confident	90.9	Very high	43 Å²	43	41 Å²	41	30%	0.301	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.7	-178.3	49.5	0	0	0	0	115.9
761	E	87.1	Confident	91.1	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-19	-176.3	-59.8	180	179.4	0	0	113.6	N759 R784 I785	N759-E761 PolarHBondContact O-N 3.21Å; N759-E761 PolarHBondContact OD1-N 2.95Å; E761-R784 HydrophobicContact CB-CG 4.1Å; E761-R784 WeakPolarHBondContact O-CA 3.35Å; E761-R784 WeakPolarHBondContact O-CG 3.4Å; E761-R784 IonicContact OE1-NH2 2.68Å; E761-R784 IonicContact OE2-CZ 3.12Å; E761-R784 IonicContact OE2-NE 3.34Å; E761-R784 PolarHBondContact OE2-NE 2.97Å; E761-R784 IonicContact OE2-NH2 2.87Å; E761-R784 PolarHBondContact OE2-NH2 3.26Å; E761-I785 WeakPolarHBondContact O-CG1 3.23Å; E761-I785 PolarHBondContact O-N 3.26Å
762	C	91.9	Very high	90.8	Very high	30 Å²	30	43.2 Å²	43.2	20%	0.203	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.7	-170.2	-67.8	0	0	0	0	112.1	F757 A758 N759 G783	F757-C762 CarbonylContact C-O 3.58Å; F757-C762 WeakPolarHBondContact CA-O 3.27Å; A758-C762 HydrophobicContact CB-CB 4.05Å; A758-C762 PolarHBondContact N-O 2.83Å; N759-C762 PolarHBondContact O-N 2.69Å; N759-C762 WeakPolarHBondContact OD1-CB 3.18Å; N759-C762 PolarHBondContact OD1-N 3.24Å; C762-G783 CarbonylContact C-O 3.56Å; C762-G783 WeakPolarHBondContact CA-O 3.34Å
763	L	91.8	Very high	90.3	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.7	166.8	-73.6	165.7	0	0	0	110.1	V753 F757 A767 F781 Y782 G783 I785 V789	V753-L763 HydrophobicContact CG1-CD1 4.15Å; V753-L763 HydrophobicContact CG1-CD2 3.73Å; V753-L763 HydrophobicContact CG1-CG 4.47Å; F757-L763 HydrophobicContact CD1-CD2 3.78Å; F757-L763 HydrophobicContact CD1-CG 4.44Å; F757-L763 HydrophobicContact CE1-CD2 3.45Å; F757-L763 VanDerWaalsContact CE1-CD2 3.45Å; F757-L763 HydrophobicContact CE1-CG 4.25Å; F757-L763 HydrophobicContact CG-CD2 4.47Å; F757-L763 HydrophobicContact CZ-CD2 3.89Å; L763-A767 HydrophobicContact CD2-CB 3.89Å; L763-F781 CarbonylContact C-O 3.58Å; L763-F781 HydrophobicContact CB-CB 3.78Å; L763-F781 HydrophobicContact CD1-CB 3.69Å; L763-F781 HydrophobicContact CD1-CD1 4.29Å; L763-F781 HydrophobicContact CD1-CG 4.08Å; L763-F781 HydrophobicContact CG-CB 4.26Å; L763-Y782 WeakPolarHBondContact O-CA 2.92Å; L763-G783 PolarHBondContact N-O 2.91Å; L763-G783 PolarHBondContact O-N 3.07Å; L763-G783 VanDerWaalsContact O-N 3.08Å; L763-I785 HydrophobicContact CD1-CD1 4.36Å; L763-I785 HydrophobicContact CD1-CG1 3.97Å; L763-I785 HydrophobicContact CG-CD1 4.06Å; L763-I785 HydrophobicContact CG-CG1 3.93Å; L763-V789 HydrophobicContact CD1-CG1 4.25Å
764	N	92.5	Very high	89.8	Confident	82 Å²	82	46.6 Å²	46.6	44%	0.439	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	78.8	177.8	-176.6	41.4	0	0	0	110.4	E756 A758 F781 Y782	E756-N764 WeakPolarHBondContact CB-O 3.47Å; E756-N764 PolarHBondContact O-N 3.06Å; A758-N764 HydrophobicContact CB-CB 3.89Å; N764-F781 WeakPolarHBondContact CA-O 3.34Å; N764-F781 PolarHBondContact N-O 3.17Å; N764-Y782 VanDerWaalsContact OD1-CD1 3.3Å; N764-Y782 WeakPolarHBondContact OD1-CD1 3.38Å; N764-Y782 WeakPolarHBondContact OD1-CE1 3.38Å
765	G	93.3	Very high	89.6	Confident	5 Å²	5	46.9 Å²	46.9	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.4	-150	177.4	0	0	0	0	0	112.6	E756 S780 F781	E756-G765 WeakPolarHBondContact OE2-CA 3.36Å; G765-S780 CarbonylContact O-C 3.58Å; G765-S780 VanDerWaalsContact O-CA 3.3Å; G765-S780 WeakPolarHBondContact O-CA 3.21Å; G765-F781 PolarHBondContact N-O 2.7Å; G765-F781 PolarHBondContact O-N 3.41Å
766	K	94	Very high	89.5	Confident	149 Å²	149	46.3 Å²	46.3	65%	0.648	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.1	-175.3	-69.4	179.2	-178.4	177.1	0	111	G755 E756 G779	G755-K766 CarbonylContact C-O 3.53Å; G755-K766 WeakPolarHBondContact CA-O 3.21Å; E756-K766 PolarHBondContact N-O 3.14Å; E756-K766 PolarHBondContact OE2-N 3.38Å; E756-K766 VanDerWaalsContact OE2-N 3.14Å; K766-G779 WeakPolarHBondContact CA-O 3.28Å
767	A	92.2	Very high	89.3	Confident	9 Å²	9	44.1 Å²	44.1	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.1	174.5	0	0	0	0	0	113.1	V753 K754 L763 G779 F781	V753-A767 HydrophobicContact CG1-CB 4.32Å; K754-A767 CarbonylContact O-C 3.52Å; K754-A767 WeakPolarHBondContact O-CA 3.06Å; L763-A767 HydrophobicContact CD2-CB 3.89Å; A767-G779 PolarHBondContact N-O 3.05Å; A767-G779 PolarHBondContact O-N 3.33Å; A767-G779 VanDerWaalsContact O-O 3.05Å; A767-F781 HydrophobicContact CB-CD2 3.65Å; A767-F781 HydrophobicContact CB-CE2 4.06Å; A767-F781 HydrophobicContact CB-CG 4.44Å; A767-F781 WeakPolarHBondContact O-CE2 3.49Å
768	A	90.9	Very high	89.1	Confident	10 Å²	10	46.1 Å²	46.1	8%	0.083	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.7	172.4	0	0	0	0	0	107.8	V753 K754 Y770 L777 N778	V753-A768 CarbonylContact C-O 2.8Å; V753-A768 WeakPolarHBondContact CA-O 3.47Å; K754-A768 PolarHBondContact N-O 2.7Å; K754-A768 PolarHBondContact O-N 3.27Å; A768-Y770 HydrophobicContact CB-CE2 3.8Å; A768-L777 CarbonylContact C-O 3.51Å; A768-L777 WeakPolarHBondContact CA-O 3.47Å; A768-N778 WeakPolarHBondContact CB-OD1 3.36Å
769	V	90.6	Very high	89.2	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.3	178.6	180	0	0	0	0	108.4	V753 F771 C776 L777 F781	V753-V769 HydrophobicContact CG1-CG2 3.99Å; V753-V769 HydrophobicContact CG2-CG1 4.27Å; V753-V769 HydrophobicContact CG2-CG2 4.19Å; V769-F771 HydrophobicContact CG1-CE1 4.04Å; V769-F771 HydrophobicContact CG1-CE2 4.13Å; V769-F771 HydrophobicContact CG1-CZ 3.8Å; V769-C776 CarbonylContact O-C 3.59Å; V769-C776 VanDerWaalsContact O-CA 3.29Å; V769-C776 WeakPolarHBondContact O-CA 2.99Å; V769-L777 HydrophobicContact CB-CB 4.4Å; V769-L777 PolarHBondContact N-O 2.82Å; V769-L777 PolarHBondContact O-N 3.37Å; V769-F781 HydrophobicContact CG2-CE1 3.97Å; V769-F781 HydrophobicContact CG2-CE2 4.44Å; V769-F781 HydrophobicContact CG2-CZ 3.86Å
770	Y	89.2	Confident	89.4	Confident	51 Å²	51	43.3 Å²	43.3	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.4	177.5	-57.1	-93.5	0	0	0	109.3	M751 V752 K754 A768 C776 I804	M751-Y770 WeakPolarHBondContact CA-O 3.49Å; V752-Y770 HydrophobicContact CB-CD2 4.46Å; V752-Y770 PolarHBondContact N-O 2.95Å; V752-Y770 WeakPolarHBondContact O-CD2 3.41Å; V752-Y770 PolarHBondContact O-N 3.43Å; K754-Y770 HydrophobicContact CB-CE2 4.23Å; A768-Y770 HydrophobicContact CB-CE2 3.8Å; Y770-C776 HydrophobicContact CD1-CB 3.86Å; Y770-C776 HydrophobicContact CE1-CB 4.05Å; Y770-C776 WeakPolarHBondContact CE1-SG 3.36Å; Y770-I804 HydrophobicContact CD1-CD1 3.99Å; Y770-I804 HydrophobicContact CD1-CG1 3.92Å; Y770-I804 HydrophobicContact CD2-CD1 3.86Å; Y770-I804 HydrophobicContact CD2-CG1 4.27Å; Y770-I804 HydrophobicContact CE1-CG1 4.17Å; Y770-I804 HydrophobicContact CE2-CG2 4.47Å; Y770-I804 HydrophobicContact CG-CD1 3.56Å; Y770-I804 HydrophobicContact CG-CG1 3.97Å
771	F	88.4	Confident	89.8	Confident	59 Å²	59	41.5 Å²	41.5	26%	0.259	23%	0.227	S	C	.	.			trans	-92.6	149.9	178.8	-62.7	-79	0	0	0	111	M751 V769 S773 G774 E775 L777	M751-F771 HydrophobicContact CE-CD1 3.79Å; M751-F771 HydrophobicContact CE-CE1 3.86Å; M751-F771 HydrophobicContact CG-CD1 4.15Å; M751-F771 HydrophobicContact SD-CD1 3.78Å; M751-F771 HydrophobicContact SD-CE1 3.72Å; V769-F771 HydrophobicContact CG1-CE1 4.04Å; V769-F771 HydrophobicContact CG1-CE2 4.13Å; V769-F771 HydrophobicContact CG1-CZ 3.8Å; F771-S773 WeakPolarHBondContact CB-OG 3.46Å; F771-S773 PolarHBondContact O-N 3.45Å; F771-G774 PolarHBondContact O-N 3.45Å; F771-E775 HydrophobicContact CD2-CB 4.15Å; F771-E775 PolarHBondContact N-O 3.38Å; F771-L777 HydrophobicContact CE2-CB 3.95Å
772	P	82.9	Confident	90.1	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.3	174	-26.2	32.9	0	0	0	114.4	D749 G774	D749-P772 VanDerWaalsContact O-CG 3.3Å; D749-P772 WeakPolarHBondContact O-CG 3.01Å; P772-G774 PolarHBondContact O-N 3.22Å
773	S	82.2	Confident	90.1	Very high	80 Å²	80	41.9 Å²	41.9	56%	0.559	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.2	175.2	57.3	0	0	0	0	114.2	F771	F771-S773 WeakPolarHBondContact CB-OG 3.46Å; F771-S773 PolarHBondContact O-N 3.45Å
774	G	80	Confident	90	Very high	10 Å²	10	46.1 Å²	46.1	10%	0.103	25%	0.246	C	C	.	.	S	Bend	trans	88	10.4	-173	0	0	0	0	0	113.8	F771 P772 C799	F771-G774 PolarHBondContact O-N 3.45Å; P772-G774 PolarHBondContact O-N 3.22Å; G774-C799 CarbonylContact O-C 3.53Å; G774-C799 PolarHBondContact O-N 2.95Å
775	E	88.3	Confident	89.6	Confident	85 Å²	85	44.2 Å²	44.2	40%	0.397	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	150.6	173.3	-64.7	175.9	161.1	0	0	110.9	F771 L796	F771-E775 HydrophobicContact CD2-CB 4.15Å; F771-E775 PolarHBondContact N-O 3.38Å; E775-L796 HydrophobicContact CB-CD1 4.28Å
776	C	88.5	Confident	88.9	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.6	178.1	179.7	0	0	0	0	110.2	V769 Y770 N778 L796 Q797 C799	V769-C776 CarbonylContact O-C 3.59Å; V769-C776 VanDerWaalsContact O-CA 3.29Å; V769-C776 WeakPolarHBondContact O-CA 2.99Å; Y770-C776 HydrophobicContact CD1-CB 3.86Å; Y770-C776 HydrophobicContact CE1-CB 4.05Å; Y770-C776 WeakPolarHBondContact CE1-SG 3.36Å; C776-N778 PolarHBondContact SG-OD1 3.47Å; C776-L796 WeakPolarHBondContact O-CA 3.23Å; C776-Q797 PolarHBondContact N-O 3.39Å; C776-Q797 PolarHBondContact O-N 2.95Å; C776-C799 HydrophobicContact CB-CB 4.1Å; C776-C799 WeakPolarHBondContact CB-SG 3.28Å
777	L	90.9	Very high	88.4	Confident	30 Å²	30	49.3 Å²	49.3	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.5	176.2	-178.9	70.5	0	0	0	109.7	A768 V769 F771 F781 I791 S795 L796	A768-L777 CarbonylContact C-O 3.51Å; A768-L777 WeakPolarHBondContact CA-O 3.47Å; V769-L777 HydrophobicContact CB-CB 4.4Å; V769-L777 PolarHBondContact N-O 2.82Å; V769-L777 PolarHBondContact O-N 3.37Å; F771-L777 HydrophobicContact CE2-CB 3.95Å; L777-F781 HydrophobicContact CD2-CE1 3.78Å; L777-F781 HydrophobicContact CD2-CZ 3.85Å; L777-F781 HydrophobicContact CG-CE1 4.31Å; L777-F781 HydrophobicContact CG-CZ 3.86Å; L777-I791 HydrophobicContact CD2-CD1 3.92Å; L777-S795 WeakPolarHBondContact CA-O 3.43Å; L777-L796 HydrophobicContact CB-CD1 4.04Å; L777-L796 HydrophobicContact CD1-CB 4.18Å; L777-L796 HydrophobicContact CD1-CD1 4.21Å
778	N	91.4	Very high	87.9	Confident	47 Å²	47	53.1 Å²	53.1	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.2	177.4	-63.8	-50.8	0	0	0	110.3	A768 C776 G794 S795	A768-N778 WeakPolarHBondContact CB-OD1 3.36Å; C776-N778 PolarHBondContact SG-OD1 3.47Å; N778-G794 CarbonylContact O-C 3.53Å; N778-G794 VanDerWaalsContact O-CA 3.29Å; N778-G794 WeakPolarHBondContact O-CA 3.35Å; N778-S795 PolarHBondContact N-O 2.95Å; N778-S795 PolarHBondContact O-N 3.3Å; N778-S795 PolarHBondContact O-OG 3.06Å
779	G	92.3	Very high	87.8	Confident	13 Å²	13	54.9 Å²	54.9	13%	0.134	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-169.2	179.7	0	0	0	0	0	112.8	K766 A767 F781	K766-G779 WeakPolarHBondContact CA-O 3.28Å; A767-G779 PolarHBondContact N-O 3.05Å; A767-G779 PolarHBondContact O-N 3.33Å; A767-G779 VanDerWaalsContact O-O 3.05Å; G779-F781 WeakPolarHBondContact O-CD2 3.31Å; G779-F781 WeakPolarHBondContact O-CE2 3.5Å
780	S	94.5	Very high	87.7	Confident	16 Å²	16	61 Å²	61	11%	0.112	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120	170.4	-58.5	0	0	0	0	109.5	G765 T792	G765-S780 CarbonylContact O-C 3.58Å; G765-S780 VanDerWaalsContact O-CA 3.3Å; G765-S780 WeakPolarHBondContact O-CA 3.21Å; S780-T792 VanDerWaalsContact CB-OG1 3.26Å; S780-T792 WeakPolarHBondContact CB-OG1 3.21Å; S780-T792 PolarHBondContact N-O 3.26Å; S780-T792 PolarHBondContact O-N 2.88Å; S780-T792 PolarHBondContact O-OG1 2.78Å
781	F	93.7	Very high	87.7	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.022	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.3	-169.1	-63.2	-101.8	0	0	0	110.2	L763 N764 G765 A767 V769 L777 G779 V789 Q790 I791	L763-F781 CarbonylContact C-O 3.58Å; L763-F781 HydrophobicContact CB-CB 3.78Å; L763-F781 HydrophobicContact CD1-CB 3.69Å; L763-F781 HydrophobicContact CD1-CD1 4.29Å; L763-F781 HydrophobicContact CD1-CG 4.08Å; L763-F781 HydrophobicContact CG-CB 4.26Å; N764-F781 WeakPolarHBondContact CA-O 3.34Å; N764-F781 PolarHBondContact N-O 3.17Å; G765-F781 PolarHBondContact N-O 2.7Å; G765-F781 PolarHBondContact O-N 3.41Å; A767-F781 HydrophobicContact CB-CD2 3.65Å; A767-F781 HydrophobicContact CB-CE2 4.06Å; A767-F781 HydrophobicContact CB-CG 4.44Å; A767-F781 WeakPolarHBondContact O-CE2 3.49Å; V769-F781 HydrophobicContact CG2-CE1 3.97Å; V769-F781 HydrophobicContact CG2-CE2 4.44Å; V769-F781 HydrophobicContact CG2-CZ 3.86Å; L777-F781 HydrophobicContact CD2-CE1 3.78Å; L777-F781 HydrophobicContact CD2-CZ 3.85Å; L777-F781 HydrophobicContact CG-CE1 4.31Å; L777-F781 HydrophobicContact CG-CZ 3.86Å; G779-F781 WeakPolarHBondContact O-CD2 3.31Å; G779-F781 WeakPolarHBondContact O-CE2 3.5Å; F781-V789 HydrophobicContact CB-CG1 3.74Å; F781-V789 HydrophobicContact CD1-CG1 3.69Å; F781-V789 HydrophobicContact CG-CG1 4.21Å; F781-Q790 CarbonylContact C-O 3.54Å; F781-Q790 WeakPolarHBondContact CA-O 3.18Å; F781-I791 HydrophobicContact CD1-CD1 4.47Å; F781-I791 HydrophobicContact CD1-CG1 3.69Å; F781-I791 HydrophobicContact CD1-CG2 4.48Å; F781-I791 HydrophobicContact CE1-CD1 4.05Å; F781-I791 HydrophobicContact CE1-CG1 3.69Å; F781-I791 HydrophobicContact CE1-CG2 4.19Å; F781-I791 HydrophobicContact CZ-CG2 4.47Å
782	Y	92.5	Very high	87.7	Confident	94 Å²	94	63.2 Å²	63.2	37%	0.369	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122.1	179.1	-58.5	-84.3	0	0	0	110.4	L763 N764 Q790	L763-Y782 WeakPolarHBondContact O-CA 2.92Å; N764-Y782 VanDerWaalsContact OD1-CD1 3.3Å; N764-Y782 WeakPolarHBondContact OD1-CD1 3.38Å; N764-Y782 WeakPolarHBondContact OD1-CE1 3.38Å; Y782-Q790 PolarHBondContact N-O 3.43Å; Y782-Q790 PolarHBondContact O-N 3.17Å
783	G	91.5	Very high	87.7	Confident	29 Å²	29	63.9 Å²	63.9	30%	0.299	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-176.3	177.5	0	0	0	0	0	113.1	C762 L763	C762-G783 CarbonylContact C-O 3.56Å; C762-G783 WeakPolarHBondContact CA-O 3.34Å; L763-G783 PolarHBondContact N-O 2.91Å; L763-G783 PolarHBondContact O-N 3.07Å; L763-G783 VanDerWaalsContact O-N 3.08Å
784	R	90.1	Very high	87.9	Confident	96 Å²	96	62.2 Å²	62.2	36%	0.362	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.1	-174	-154.7	-169.5	-156.9	-172.7	-1	110	E761 Q786 D787 S788 V789	E761-R784 HydrophobicContact CB-CG 4.1Å; E761-R784 WeakPolarHBondContact O-CA 3.35Å; E761-R784 WeakPolarHBondContact O-CG 3.4Å; E761-R784 IonicContact OE1-NH2 2.68Å; E761-R784 IonicContact OE2-CZ 3.12Å; E761-R784 IonicContact OE2-NE 3.34Å; E761-R784 PolarHBondContact OE2-NE 2.97Å; E761-R784 IonicContact OE2-NH2 2.87Å; E761-R784 PolarHBondContact OE2-NH2 3.26Å; R784-Q786 VanDerWaalsContact C-N 3.26Å; R784-Q786 PolarHBondContact O-N 3.45Å; R784-D787 HydrophobicContact CB-CB 4.22Å; R784-D787 WeakPolarHBondContact CD-OD2 3.46Å; R784-D787 IonicContact CZ-OD2 3.94Å; R784-D787 IonicContact NE-OD2 3.21Å; R784-D787 IonicContact NH1-OD2 2.99Å; R784-D787 PolarHBondContact NH1-OD2 3.37Å; R784-D787 PolarHBondContact O-N 2.85Å; R784-D787 VanDerWaalsContact O-N 3.16Å; R784-S788 PolarHBondContact N-O 3.21Å; R784-S788 CarbonylContact O-C 3.5Å; R784-S788 PolarHBondContact O-N 3.1Å; R784-S788 VanDerWaalsContact O-N 3.14Å; R784-V789 WeakPolarHBondContact O-CG2 3.05Å
785	I	84.7	Confident	88.2	Confident	41 Å²	41	64.3 Å²	64.3	21%	0.21	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.2	-171.1	-62.7	170.5	0	0	0	111.9	L745 L747 F757 E761 L763	L745-I785 HydrophobicContact CD2-CD1 3.3Å; L747-I785 HydrophobicContact CD1-CG2 3.87Å; F757-I785 HydrophobicContact CE1-CD1 4.12Å; E761-I785 WeakPolarHBondContact O-CG1 3.23Å; E761-I785 PolarHBondContact O-N 3.26Å; L763-I785 HydrophobicContact CD1-CD1 4.36Å; L763-I785 HydrophobicContact CD1-CG1 3.97Å; L763-I785 HydrophobicContact CG-CD1 4.06Å; L763-I785 HydrophobicContact CG-CG1 3.93Å
786	Q	78.9	Confident	88.2	Confident	150 Å²	150	65.3 Å²	65.3	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-13.5	-178.9	-68.8	-178.6	-17.3	0	0	114.7	R784	R784-Q786 VanDerWaalsContact C-N 3.26Å; R784-Q786 PolarHBondContact O-N 3.45Å
787	D	82	Confident	88	Confident	112 Å²	112	70.4 Å²	70.4	60%	0.599	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-71.9	-174.6	-64.3	-30.1	0	0	0	111.5	R784	R784-D787 HydrophobicContact CB-CB 4.22Å; R784-D787 WeakPolarHBondContact CD-OD2 3.46Å; R784-D787 IonicContact CZ-OD2 3.94Å; R784-D787 IonicContact NE-OD2 3.21Å; R784-D787 IonicContact NH1-OD2 2.99Å; R784-D787 PolarHBondContact NH1-OD2 3.37Å; R784-D787 PolarHBondContact O-N 2.85Å; R784-D787 VanDerWaalsContact O-N 3.16Å
788	S	83.2	Confident	87.4	Confident	89 Å²	89	77.8 Å²	77.8	62%	0.622	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.4	132	180	62.7	0	0	0	0	110.3	R784	R784-S788 PolarHBondContact N-O 3.21Å; R784-S788 CarbonylContact O-C 3.5Å; R784-S788 PolarHBondContact O-N 3.1Å; R784-S788 VanDerWaalsContact O-N 3.14Å
789	V	87.6	Confident	86.2	Confident	46 Å²	46	77.7 Å²	77.7	28%	0.279	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.9	-179.8	-174.2	0	0	0	0	109	L763 F781 R784	L763-V789 HydrophobicContact CD1-CG1 4.25Å; F781-V789 HydrophobicContact CB-CG1 3.74Å; F781-V789 HydrophobicContact CD1-CG1 3.69Å; F781-V789 HydrophobicContact CG-CG1 4.21Å; R784-V789 WeakPolarHBondContact O-CG2 3.05Å
790	Q	89.2	Confident	84.6	Confident	142 Å²	142	81 Å²	81	66%	0.664	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.5	171.4	-66.3	-176.6	-7	0	0	109.5	F781 Y782	F781-Q790 CarbonylContact C-O 3.54Å; F781-Q790 WeakPolarHBondContact CA-O 3.18Å; Y782-Q790 PolarHBondContact N-O 3.43Å; Y782-Q790 PolarHBondContact O-N 3.17Å
791	I	89.4	Confident	82.5	Confident	89 Å²	89	84 Å²	84	46%	0.456	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.2	179.7	-53.7	163.3	0	0	0	108.1	L777 F781	L777-I791 HydrophobicContact CD2-CD1 3.92Å; F781-I791 HydrophobicContact CD1-CD1 4.47Å; F781-I791 HydrophobicContact CD1-CG1 3.69Å; F781-I791 HydrophobicContact CD1-CG2 4.48Å; F781-I791 HydrophobicContact CE1-CD1 4.05Å; F781-I791 HydrophobicContact CE1-CG1 3.69Å; F781-I791 HydrophobicContact CE1-CG2 4.19Å; F781-I791 HydrophobicContact CZ-CG2 4.47Å
792	T	87.8	Confident	80.4	Confident	67 Å²	67	95 Å²	95	41%	0.411	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.4	169.8	51.2	0	0	0	0	108.1	S780 G794	S780-T792 VanDerWaalsContact CB-OG1 3.26Å; S780-T792 WeakPolarHBondContact CB-OG1 3.21Å; S780-T792 PolarHBondContact N-O 3.26Å; S780-T792 PolarHBondContact O-N 2.88Å; S780-T792 PolarHBondContact O-OG1 2.78Å; T792-G794 PolarHBondContact O-N 3.5Å
793	S	83.5	Confident	78.4	Confident	100 Å²	100	96 Å²	96	70%	0.699	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.1	41.9	-179.1	58.9	0	0	0	0	116
794	G	85.1	Confident	76.9	Confident	44 Å²	44	96.8 Å²	96.8	45%	0.454	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.1	178.1	0	0	0	0	0	114	N778 T792	N778-G794 CarbonylContact O-C 3.53Å; N778-G794 VanDerWaalsContact O-CA 3.29Å; N778-G794 WeakPolarHBondContact O-CA 3.35Å; T792-G794 PolarHBondContact O-N 3.5Å
795	S	87.9	Confident	75.2	Confident	54 Å²	54	97.3 Å²	97.3	38%	0.378	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.4	170	60.9	0	0	0	0	109.7	L777 N778	L777-S795 WeakPolarHBondContact CA-O 3.43Å; N778-S795 PolarHBondContact N-O 2.95Å; N778-S795 PolarHBondContact O-N 3.3Å; N778-S795 PolarHBondContact O-OG 3.06Å
796	L	87.3	Confident	74	Confident	106 Å²	106	97.2 Å²	97.2	56%	0.555	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.7	178.9	-173.6	70.7	0	0	0	109.5	E775 C776 L777	E775-L796 HydrophobicContact CB-CD1 4.28Å; C776-L796 WeakPolarHBondContact O-CA 3.23Å; L777-L796 HydrophobicContact CB-CD1 4.04Å; L777-L796 HydrophobicContact CD1-CB 4.18Å; L777-L796 HydrophobicContact CD1-CD1 4.21Å
797	Q	84.4	Confident	73.1	Confident	109 Å²	109	94.5 Å²	94.5	51%	0.509	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.7	178.6	-64.6	-179.5	-4.1	0	0	109.8	C776	C776-Q797 PolarHBondContact N-O 3.39Å; C776-Q797 PolarHBondContact O-N 2.95Å
798	K	78.8	Confident	71.8	Confident	185 Å²	185	95.9 Å²	95.9	80%	0.804	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.9	170.4	-165.8	172.1	-175.9	173.7	0	108.6
799	C	66.4	Low	70.8	Confident	44 Å²	44	94.8 Å²	94.8	30%	0.297	53%	0.526	S	S	.	.			trans	-108.3	150.1	177	-71.6	0	0	0	0	110.2	G774 C776 A801	G774-C799 CarbonylContact O-C 3.53Å; G774-C799 PolarHBondContact O-N 2.95Å; C776-C799 HydrophobicContact CB-CB 4.1Å; C776-C799 WeakPolarHBondContact CB-SG 3.28Å; C799-A801 PolarHBondContact O-N 3.48Å
800	S	57.3	Low	70.2	Confident	84 Å²	84	93.6 Å²	93.6	59%	0.587	52%	0.519	S	S	*	.			trans	-70.1	117.3	164.2	54.9	0	0	0	0	107.8	R802 N803	S800-R802 PolarHBondContact O-N 3.08Å; S800-N803 PolarHBondContact O-N 2.63Å
801	A	51	Low	70	Confident	77 Å²	77	87.7 Å²	87.7	64%	0.636	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-13.8	-176	0	0	0	0	0	114.5	C799	C799-A801 PolarHBondContact O-N 3.48Å
802	R	49.9	Very low	69.9	Low	237 Å²	237	83.4 Å²	83.4	89%	0.894	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-12.5	-175.7	-73.2	-175.4	175.4	174.3	-2	115.1	S800	S800-R802 PolarHBondContact O-N 3.08Å
803	N	49.6	Very low	69.9	Low	115 Å²	115	82.6 Å²	82.6	62%	0.615	47%	0.467	S	S	*	.			trans	-119.5	39.3	-167.8	-69.9	-2.1	0	0	0	114.9	S800 V805	S800-N803 PolarHBondContact O-N 2.63Å; N803-V805 PolarHBondContact O-N 3.41Å
804	I	60.1	Low	70	Confident	46 Å²	46	78.7 Å²	78.7	24%	0.236	44%	0.44	C	S	.	.			trans	-73.9	84.8	160.5	-52.9	178.2	0	0	0	106.9	V752 Y770 V806	V752-I804 HydrophobicContact CB-CD1 3.77Å; V752-I804 HydrophobicContact CG1-CD1 3.97Å; V752-I804 HydrophobicContact CG1-CG2 4.37Å; V752-I804 HydrophobicContact CG2-CD1 3.94Å; Y770-I804 HydrophobicContact CD1-CD1 3.99Å; Y770-I804 HydrophobicContact CD1-CG1 3.92Å; Y770-I804 HydrophobicContact CD2-CD1 3.86Å; Y770-I804 HydrophobicContact CD2-CG1 4.27Å; Y770-I804 HydrophobicContact CE1-CG1 4.17Å; Y770-I804 HydrophobicContact CE2-CG2 4.47Å; Y770-I804 HydrophobicContact CG-CD1 3.56Å; Y770-I804 HydrophobicContact CG-CG1 3.97Å; I804-V806 PolarHBondContact O-N 3.26Å
805	V	54.9	Low	70	Confident	107 Å²	107	79.7 Å²	79.7	65%	0.648	44%	0.435	S	S	*	.			trans	-67.8	103	172.5	-175.2	0	0	0	0	106.9	K754 N803 D807	K754-V805 PolarHBondContact NZ-O 3.19Å; N803-V805 PolarHBondContact O-N 3.41Å; V805-D807 PolarHBondContact O-N 2.9Å
806	V	58.9	Low	69.9	Low	38 Å²	38	81.2 Å²	81.2	23%	0.23	44%	0.437	C	S	.	.			trans	-70.9	121.1	166.9	-174.2	0	0	0	0	105.6	Y746 I804 E808 T810	Y746-V806 WeakPolarHBondContact OH-CG2 3.48Å; I804-V806 PolarHBondContact O-N 3.26Å; V806-E808 PolarHBondContact O-N 3.39Å; V806-T810 WeakPolarHBondContact CG1-OG1 3.16Å
807	D	60.2	Low	70.1	Confident	93 Å²	93	76.1 Å²	76.1	50%	0.497	41%	0.411	S	S	.	.			trans	-64.8	126.8	176.7	-171.4	-12.3	0	0	0	108.5	V805 A809 T810	V805-D807 PolarHBondContact O-N 2.9Å; D807-A809 PolarHBondContact O-N 3.03Å; D807-A809 VanDerWaalsContact O-N 3.12Å; D807-A809 PolarHBondContact OD1-N 3.25Å; D807-T810 HydrophobicContact CB-CG2 4.23Å; D807-T810 WeakPolarHBondContact O-CB 3.32Å; D807-T810 PolarHBondContact O-N 3.28Å; D807-T810 PolarHBondContact O-OG1 2.74Å
808	E	55.6	Low	70.2	Confident	142 Å²	142	71 Å²	71	66%	0.664	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-54.9	-30.7	179.9	-67.2	-172.6	154.7	0	0	111	V806 T810 F811 Q894	V806-E808 PolarHBondContact O-N 3.39Å; E808-T810 PolarHBondContact O-N 3.28Å; E808-F811 PolarHBondContact O-N 3.38Å; E808-Q894 PolarHBondContact OE1-NE2 2.65Å
809	A	61.9	Low	70.5	Confident	65 Å²	65	63 Å²	63	54%	0.537	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-65.6	0.1	178.2	0	0	0	0	0	115.1	D807	D807-A809 PolarHBondContact O-N 3.03Å; D807-A809 VanDerWaalsContact O-N 3.12Å; D807-A809 PolarHBondContact OD1-N 3.25Å
810	T	75.3	Confident	71.3	Confident	21 Å²	21	61 Å²	61	13%	0.129	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-94.3	3.9	179.3	60.3	0	0	0	0	114.2	I720 R732 V806 D807 E808	I720-T810 WeakPolarHBondContact CG2-O 3.46Å; R732-T810 VanDerWaalsContact CG-O 3.27Å; R732-T810 WeakPolarHBondContact CG-O 3.43Å; R732-T810 PolarHBondContact NE-OG1 3.33Å; V806-T810 WeakPolarHBondContact CG1-OG1 3.16Å; D807-T810 HydrophobicContact CB-CG2 4.23Å; D807-T810 WeakPolarHBondContact O-CB 3.32Å; D807-T810 PolarHBondContact O-N 3.28Å; D807-T810 PolarHBondContact O-OG1 2.74Å; E808-T810 PolarHBondContact O-N 3.28Å
811	F	84.8	Confident	72.6	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.079	32%	0.315	C	S	.	.	S	Bend	trans	-133.3	144.7	178.2	-172.4	-95.9	0	0	0	111.9	L709 V722 R732 E808 S813 K817 L888 D891	L709-F811 HydrophobicContact CD1-CD2 4.41Å; L709-F811 HydrophobicContact CD1-CE2 3.4Å; L709-F811 HydrophobicContact CD1-CZ 3.88Å; V722-F811 HydrophobicContact CG2-CD2 3.44Å; V722-F811 VanDerWaalsContact CG2-CD2 3.44Å; V722-F811 HydrophobicContact CG2-CE2 3.72Å; R732-F811 VanDerWaalsContact CZ-CB 3.49Å; E808-F811 PolarHBondContact O-N 3.38Å; F811-S813 PolarHBondContact O-N 3.25Å; F811-K817 VanDerWaalsContact CZ-NZ 3.27Å; F811-L888 HydrophobicContact CE2-CD2 3.76Å; F811-L888 HydrophobicContact CZ-CD2 4.49Å; F811-D891 HydrophobicContact CD1-CB 3.77Å; F811-D891 HydrophobicContact CD2-CB 4.44Å; F811-D891 HydrophobicContact CE1-CB 3.42Å; F811-D891 VanDerWaalsContact CE1-CB 3.42Å; F811-D891 HydrophobicContact CE2-CB 4.13Å; F811-D891 HydrophobicContact CG-CB 4.28Å; F811-D891 HydrophobicContact CZ-CB 3.61Å
812	P	87.8	Confident	73.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.			trans	-61.5	123.5	176.6	-21.3	34.3	0	0	0	111	Y698 I720 M816 K817	Y698-P812 HydrophobicContact CD2-CB 3.94Å; Y698-P812 HydrophobicContact CD2-CG 4.2Å; Y698-P812 HydrophobicContact CE2-CB 3.86Å; Y698-P812 HydrophobicContact CE2-CG 3.93Å; I720-P812 HydrophobicContact CG2-CG 4.32Å; P812-M816 HydrophobicContact CB-CB 4.45Å; P812-K817 HydrophobicContact CB-CG 4.34Å; P812-K817 WeakPolarHBondContact O-CE 3.43Å
813	S	87.7	Confident	75.2	Confident	50 Å²	50	45.9 Å²	45.9	35%	0.35	26%	0.255	S	S	.	.			trans	-62.5	156.8	176.4	69.7	0	0	0	0	111	F811 D815 M816 K817	F811-S813 PolarHBondContact O-N 3.25Å; S813-D815 PolarHBondContact O-N 2.98Å; S813-D815 VanDerWaalsContact O-N 3.13Å; S813-M816 WeakPolarHBondContact O-CB 3.26Å; S813-M816 PolarHBondContact O-N 3.38Å; S813-M816 PolarHBondContact OG-N 2.86Å; S813-K817 WeakPolarHBondContact O-CG 3.37Å; S813-K817 PolarHBondContact O-N 3.48Å; S813-K817 VanDerWaalsContact O-N 3.16Å
814	A	85.8	Confident	76.1	Confident	17 Å²	17	41.9 Å²	41.9	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-49.3	-39.5	174.7	0	0	0	0	0	112.4	M816 K817 W818 E895	A814-M816 PolarHBondContact O-N 3Å; A814-K817 WeakPolarHBondContact O-CB 3.15Å; A814-K817 PolarHBondContact O-N 3.18Å; A814-K817 VanDerWaalsContact O-N 3.15Å; A814-W818 HydrophobicContact CB-CD2 4.45Å; A814-W818 HydrophobicContact CB-CH2 3.87Å; A814-W818 HydrophobicContact CB-CZ2 3.63Å; A814-W818 HydrophobicContact CB-CZ3 4.38Å; A814-W818 VanDerWaalsContact O-CD2 3.24Å; A814-W818 PolarHBondContact O-N 3.34Å; A814-W818 VanDerWaalsContact O-N 3.12Å; A814-E895 HydrophobicContact CB-CG 4.2Å
815	D	83.7	Confident	76.5	Confident	65 Å²	65	39.9 Å²	39.9	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-44.2	179.1	-53.5	-29	0	0	0	112.6	S813 K817 W818 S819 T839 R902	S813-D815 PolarHBondContact O-N 2.98Å; S813-D815 VanDerWaalsContact O-N 3.13Å; D815-K817 PolarHBondContact O-N 3.09Å; D815-W818 PolarHBondContact O-N 3.05Å; D815-S819 WeakPolarHBondContact O-CB 3.33Å; D815-S819 PolarHBondContact O-N 2.9Å; D815-S819 VanDerWaalsContact O-N 3.11Å; D815-T839 HydrophobicContact CB-CG2 4.35Å; D815-T839 PolarHBondContact OD1-OG1 3.1Å; D815-T839 VanDerWaalsContact OD1-OG1 3.1Å; D815-R902 IonicContact OD1-CZ 3.13Å; D815-R902 IonicContact OD1-NH1 2.67Å; D815-R902 PolarHBondContact OD1-NH1 3.21Å; D815-R902 IonicContact OD1-NH2 3.87Å; D815-R902 PolarHBondContact OD1-NH2 2.91Å; D815-R902 IonicContact OD2-NH2 3.35Å
816	M	87.5	Confident	77.1	Confident	86 Å²	86	35.7 Å²	35.7	42%	0.424	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-41.2	176	-69.8	-179.3	-177.2	0	0	110.5	Y698 P812 S813 A814 W818 S819	Y698-M816 WeakPolarHBondContact CB-O 3.38Å; P812-M816 HydrophobicContact CB-CB 4.45Å; S813-M816 WeakPolarHBondContact O-CB 3.26Å; S813-M816 PolarHBondContact O-N 3.38Å; S813-M816 PolarHBondContact OG-N 2.86Å; A814-M816 PolarHBondContact O-N 3Å; M816-W818 VanDerWaalsContact C-N 3.32Å; M816-W818 PolarHBondContact O-N 3.2Å; M816-S819 PolarHBondContact O-OG 3.16Å
817	K	89.9	Confident	77.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-32.7	-177.3	-60.3	-169.5	-176.1	-173	0	114.3	Y698 F811 P812 S813 A814 D815 V874 Y879 E895	Y698-K817 VanDerWaalsContact CD1-CA 3.49Å; Y698-K817 HydrophobicContact CD1-CB 3.82Å; Y698-K817 HydrophobicContact CD1-CG 4.02Å; Y698-K817 HydrophobicContact CD2-CG 3.95Å; Y698-K817 HydrophobicContact CE1-CB 3.78Å; Y698-K817 HydrophobicContact CE1-CD 4.04Å; Y698-K817 HydrophobicContact CE1-CG 3.71Å; Y698-K817 HydrophobicContact CE2-CD 4.17Å; Y698-K817 HydrophobicContact CE2-CG 3.66Å; Y698-K817 HydrophobicContact CG-CB 4.18Å; Y698-K817 HydrophobicContact CG-CG 4.11Å; F811-K817 VanDerWaalsContact CZ-NZ 3.27Å; P812-K817 HydrophobicContact CB-CG 4.34Å; P812-K817 WeakPolarHBondContact O-CE 3.43Å; S813-K817 WeakPolarHBondContact O-CG 3.37Å; S813-K817 PolarHBondContact O-N 3.48Å; S813-K817 VanDerWaalsContact O-N 3.16Å; A814-K817 WeakPolarHBondContact O-CB 3.15Å; A814-K817 PolarHBondContact O-N 3.18Å; A814-K817 VanDerWaalsContact O-N 3.15Å; D815-K817 PolarHBondContact O-N 3.09Å; K817-V874 HydrophobicContact CB-CG1 4.11Å; K817-Y879 PolarHBondContact NZ-OH 3.02Å; K817-E895 IonicContact NZ-OE2 2.64Å; K817-E895 PolarHBondContact NZ-OE2 3.38Å
818	W	87	Confident	77.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-99.5	-6.1	-174.5	-47.1	-25	0	0	0	112.9	A814 D815 M816 D820 V821 F822 L871 E895 S898 I899	A814-W818 HydrophobicContact CB-CD2 4.45Å; A814-W818 HydrophobicContact CB-CH2 3.87Å; A814-W818 HydrophobicContact CB-CZ2 3.63Å; A814-W818 HydrophobicContact CB-CZ3 4.38Å; A814-W818 VanDerWaalsContact O-CD2 3.24Å; A814-W818 PolarHBondContact O-N 3.34Å; A814-W818 VanDerWaalsContact O-N 3.12Å; D815-W818 PolarHBondContact O-N 3.05Å; M816-W818 VanDerWaalsContact C-N 3.32Å; M816-W818 PolarHBondContact O-N 3.2Å; W818-D820 PolarHBondContact O-N 3.5Å; W818-D820 VanDerWaalsContact O-N 3.14Å; W818-V821 WeakPolarHBondContact O-CB 3.22Å; W818-V821 PolarHBondContact O-N 2.8Å; W818-F822 HydrophobicContact CB-CD2 3.54Å; W818-F822 HydrophobicContact CB-CE2 3.48Å; W818-F822 VanDerWaalsContact CB-CE2 3.48Å; W818-F822 HydrophobicContact CD2-CE2 4.23Å; W818-F822 AromaticContact CE3-CE2 3.79Å; W818-F822 HydrophobicContact CE3-CE2 3.79Å; W818-F822 HydrophobicContact CG-CE2 4.17Å; W818-F822 VanDerWaalsContact O-CD2 3.26Å; W818-F822 WeakPolarHBondContact O-CD2 3.45Å; W818-F822 PolarHBondContact O-N 3.29Å; W818-L871 HydrophobicContact CB-CD2 3.84Å; W818-L871 HydrophobicContact CD2-CD2 3.59Å; W818-L871 HydrophobicContact CE3-CD2 4.18Å; W818-L871 HydrophobicContact CG-CD2 3.39Å; W818-E895 HydrophobicContact CZ2-CG 3.64Å; W818-E895 PolarHBondContact NE1-OE1 2.96Å; W818-S898 VanDerWaalsContact CH2-OG 3.3Å; W818-S898 WeakPolarHBondContact CH2-OG 3.3Å; W818-I899 HydrophobicContact CH2-CB 4.3Å; W818-I899 HydrophobicContact CH2-CG1 3.45Å; W818-I899 VanDerWaalsContact CH2-CG1 3.45Å; W818-I899 HydrophobicContact CZ2-CD1 3.97Å; W818-I899 HydrophobicContact CZ2-CG1 3.27Å; W818-I899 HydrophobicContact CZ3-CG1 4.5Å
819	S	84.9	Confident	77.6	Confident	19 Å²	19	30.7 Å²	30.7	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-52.6	-38.8	-171.7	64.3	0	0	0	0	113.4	D815 M816 R823	D815-S819 WeakPolarHBondContact O-CB 3.33Å; D815-S819 PolarHBondContact O-N 2.9Å; D815-S819 VanDerWaalsContact O-N 3.11Å; M816-S819 PolarHBondContact O-OG 3.16Å; S819-R823 WeakPolarHBondContact O-CB 3.44Å; S819-R823 PolarHBondContact O-N 3.24Å
820	D	84.1	Confident	77.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-74.3	-39.8	177.6	66	-37.5	0	0	0	113.1	H676 E689 W818 F822 H824	H676-D820 WeakPolarHBondContact CB-OD2 3.19Å; H676-D820 IonicContact CE1-OD2 2.69Å; H676-D820 IonicContact CG-OD2 2.67Å; H676-D820 IonicContact ND1-OD1 3.12Å; H676-D820 IonicContact ND1-OD2 2.71Å; H676-D820 PolarHBondContact ND1-OD2 2.83Å; E689-D820 HydrophobicContact CB-CB 3.65Å; E689-D820 HydrophobicContact CG-CB 3.96Å; E689-D820 PolarHBondContact N-OD2 3.24Å; W818-D820 PolarHBondContact O-N 3.5Å; W818-D820 VanDerWaalsContact O-N 3.14Å; D820-F822 VanDerWaalsContact C-N 3.35Å; D820-H824 VanDerWaalsContact O-CB 3.28Å; D820-H824 WeakPolarHBondContact O-CB 3.45Å; D820-H824 PolarHBondContact O-N 3Å; D820-H824 VanDerWaalsContact O-N 3.11Å
821	V	83.4	Confident	76.6	Confident	9 Å²	9	33.2 Å²	33.2	6%	0.055	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-44.9	174.6	-170	0	0	0	0	110.5	W818 A825 L867 V874	W818-V821 WeakPolarHBondContact O-CB 3.22Å; W818-V821 PolarHBondContact O-N 2.8Å; V821-A825 PolarHBondContact O-N 2.92Å; V821-A825 VanDerWaalsContact O-N 3.1Å; V821-L867 HydrophobicContact CG1-CD1 3.67Å; V821-V874 HydrophobicContact CG2-CG2 4.18Å
822	F	79.7	Confident	75.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.7	-44.6	179.7	-78.1	-74	0	0	0	113.6	W818 D820 H824 A825 Y826 C837 T839 A842 W843 L846 L867 L871	W818-F822 HydrophobicContact CB-CD2 3.54Å; W818-F822 HydrophobicContact CB-CE2 3.48Å; W818-F822 VanDerWaalsContact CB-CE2 3.48Å; W818-F822 HydrophobicContact CD2-CE2 4.23Å; W818-F822 AromaticContact CE3-CE2 3.79Å; W818-F822 HydrophobicContact CE3-CE2 3.79Å; W818-F822 HydrophobicContact CG-CE2 4.17Å; W818-F822 VanDerWaalsContact O-CD2 3.26Å; W818-F822 WeakPolarHBondContact O-CD2 3.45Å; W818-F822 PolarHBondContact O-N 3.29Å; D820-F822 VanDerWaalsContact C-N 3.35Å; F822-H824 PolarHBondContact O-N 2.72Å; F822-A825 WeakPolarHBondContact O-CA 3.15Å; F822-A825 WeakPolarHBondContact O-CB 3.36Å; F822-A825 PolarHBondContact O-N 3.33Å; F822-Y826 PolarHBondContact O-N 3.38Å; F822-C837 VanDerWaalsContact CB-SG 3.54Å; F822-T839 HydrophobicContact CD2-CG2 3.77Å; F822-T839 HydrophobicContact CE2-CG2 4.39Å; F822-T839 HydrophobicContact CG-CG2 4.33Å; F822-A842 HydrophobicContact CB-CB 3.93Å; F822-A842 HydrophobicContact CD1-CB 3.44Å; F822-A842 VanDerWaalsContact CD1-CB 3.44Å; F822-A842 HydrophobicContact CE1-CB 4.25Å; F822-A842 HydrophobicContact CG-CB 3.88Å; F822-W843 AromaticContact CE1-CD1 3.81Å; F822-W843 AromaticContact CE1-CD2 3.96Å; F822-W843 HydrophobicContact CE1-CD2 3.96Å; F822-W843 AromaticContact CE1-CE2 3.66Å; F822-W843 HydrophobicContact CE1-CG 4.09Å; F822-W843 HydrophobicContact CE1-CZ2 4.19Å; F822-W843 AromaticContact CE1-NE1 3.51Å; F822-W843 AromaticContact CE2-NE1 3.84Å; F822-W843 AromaticContact CZ-CD1 3.73Å; F822-W843 HydrophobicContact CZ-CD2 4.09Å; F822-W843 AromaticContact CZ-CE2 3.31Å; F822-W843 HydrophobicContact CZ-CG 4.34Å; F822-W843 AromaticContact CZ-CZ2 3.65Å; F822-W843 HydrophobicContact CZ-CZ2 3.65Å; F822-W843 AromaticContact CZ-NE1 3Å; F822-L846 HydrophobicContact CD1-CD1 4.1Å; F822-L846 HydrophobicContact CE1-CD1 4.07Å; F822-L867 HydrophobicContact CD1-CD1 3.92Å; F822-L867 HydrophobicContact CE1-CD1 3.59Å; F822-L867 HydrophobicContact CE1-CD2 3.86Å; F822-L867 HydrophobicContact CE1-CG 4.3Å; F822-L867 HydrophobicContact CE2-CD1 4.3Å; F822-L867 HydrophobicContact CG-CD1 4.41Å; F822-L867 HydrophobicContact CZ-CD1 3.73Å; F822-L867 HydrophobicContact CZ-CD2 4.39Å; F822-L867 HydrophobicContact CZ-CG 4.5Å; F822-L871 HydrophobicContact CE2-CD2 4.04Å; F822-L871 HydrophobicContact CZ-CD1 4.4Å; F822-L871 HydrophobicContact CZ-CD2 4.43Å
823	R	75.8	Confident	73.2	Confident	72 Å²	72	42.1 Å²	42.1	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-54.9	-40.5	176.3	-172.4	-174.9	-52.6	114.9	9	110.7	E689 S819 Y826 D827 C837	E689-R823 IonicContact OE1-NH1 3.49Å; E689-R823 PolarHBondContact OE1-NH1 2.82Å; E689-R823 IonicContact OE2-CZ 3.57Å; E689-R823 IonicContact OE2-NH1 2.65Å; E689-R823 PolarHBondContact OE2-NH1 3.31Å; E689-R823 IonicContact OE2-NH2 3.23Å; S819-R823 WeakPolarHBondContact O-CB 3.44Å; S819-R823 PolarHBondContact O-N 3.24Å; R823-Y826 WeakPolarHBondContact O-CB 2.92Å; R823-Y826 PolarHBondContact O-N 2.87Å; R823-D827 PolarHBondContact O-N 3.49Å; R823-D827 VanDerWaalsContact O-N 3.08Å; R823-C837 HydrophobicContact CB-CB 4.31Å
824	H	69.4	Low	71.5	Confident	30 Å²	30	43 Å²	43	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-37.5	176.1	177.5	-113.3	0	0	0	113.4	Y667 D820 F822 Y826 D827 L828	Y667-H824 AromaticContact CD1-NE2 3.81Å; Y667-H824 AromaticContact CD2-CE1 3.72Å; Y667-H824 AromaticContact CD2-NE2 3.89Å; Y667-H824 AromaticContact CE1-CE1 3.51Å; Y667-H824 AromaticContact CE1-NE2 3.6Å; Y667-H824 AromaticContact CE2-CE1 3.1Å; Y667-H824 WeakPolarHBondContact CE2-CE1 2.91Å; Y667-H824 AromaticContact CE2-ND1 3.47Å; Y667-H824 WeakPolarHBondContact CE2-ND1 3.46Å; Y667-H824 AromaticContact CE2-NE2 3.7Å; Y667-H824 AromaticContact CG-NE2 3.96Å; Y667-H824 AromaticContact CZ-CE1 2.98Å; Y667-H824 AromaticContact CZ-ND1 3.81Å; Y667-H824 AromaticContact CZ-NE2 3.56Å; Y667-H824 PolarHBondContact OH-CE1 3.48Å; D820-H824 VanDerWaalsContact O-CB 3.28Å; D820-H824 WeakPolarHBondContact O-CB 3.45Å; D820-H824 PolarHBondContact O-N 3Å; D820-H824 VanDerWaalsContact O-N 3.11Å; F822-H824 PolarHBondContact O-N 2.72Å; H824-Y826 PolarHBondContact O-N 3.33Å; H824-D827 PolarHBondContact O-N 2.93Å; H824-L828 VanDerWaalsContact CE1-CD1 3.45Å; H824-L828 WeakPolarHBondContact CE1-CD1 2.9Å; H824-L828 PolarHBondContact O-N 3.14Å; H824-L828 VanDerWaalsContact O-N 3.08Å
825	A	67.7	Low	70	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-36.9	171.6	0	0	0	0	0	111.7	V821 F822 L828 L829 L846 T863	V821-A825 PolarHBondContact O-N 2.92Å; V821-A825 VanDerWaalsContact O-N 3.1Å; F822-A825 WeakPolarHBondContact O-CA 3.15Å; F822-A825 WeakPolarHBondContact O-CB 3.36Å; F822-A825 PolarHBondContact O-N 3.33Å; A825-L828 PolarHBondContact O-N 3.28Å; A825-L829 VanDerWaalsContact O-CG 3.31Å; A825-L829 WeakPolarHBondContact O-CG 3.34Å; A825-L829 PolarHBondContact O-N 2.87Å; A825-L846 HydrophobicContact CB-CD1 4.39Å; A825-T863 HydrophobicContact CB-CG2 4.12Å
826	Y	67.8	Low	68.6	Low	18 Å²	18	56.8 Å²	56.8	7%	0.071	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-44.8	172.9	-90.1	-59.4	0	0	0	113.5	F822 R823 H824 L828 L829 G830 Q831 K841 A842 S845	F822-Y826 PolarHBondContact O-N 3.38Å; R823-Y826 WeakPolarHBondContact O-CB 2.92Å; R823-Y826 PolarHBondContact O-N 2.87Å; H824-Y826 PolarHBondContact O-N 3.33Å; Y826-L828 VanDerWaalsContact C-N 3.29Å; Y826-L828 PolarHBondContact O-N 3.3Å; Y826-L829 CarbonylContact O-C 3.56Å; Y826-L829 PolarHBondContact O-N 2.71Å; Y826-L829 VanDerWaalsContact O-N 3.1Å; Y826-G830 PolarHBondContact O-N 2.54Å; Y826-Q831 HydrophobicContact CD1-CB 3.84Å; Y826-Q831 HydrophobicContact CE1-CB 4.41Å; Y826-Q831 PolarHBondContact O-N 3.09Å; Y826-K841 PolarHBondContact OH-O 3.41Å; Y826-A842 HydrophobicContact CD2-CB 4.04Å; Y826-A842 VanDerWaalsContact CE2-CA 3.47Å; Y826-A842 HydrophobicContact CE2-CB 3.3Å; Y826-A842 VanDerWaalsContact CZ-CA 3.42Å; Y826-A842 WeakPolarHBondContact OH-CA 3.45Å; Y826-A842 PolarHBondContact OH-N 2.92Å; Y826-A842 VanDerWaalsContact OH-N 3.09Å; Y826-S845 PolarHBondContact OH-OG 2.88Å; Y826-S845 VanDerWaalsContact OH-OG 3.07Å
827	D	65.9	Low	67.2	Low	86 Å²	86	53.7 Å²	53.7	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.6	-73.3	-25.1	0	0	0	111.6	R823 H824 L829 G830 S832	R823-D827 PolarHBondContact O-N 3.49Å; R823-D827 VanDerWaalsContact O-N 3.08Å; H824-D827 PolarHBondContact O-N 2.93Å; D827-L829 VanDerWaalsContact C-N 3.3Å; D827-L829 PolarHBondContact O-N 2.82Å; D827-G830 PolarHBondContact O-N 2.8Å; D827-G830 VanDerWaalsContact O-N 3.14Å; D827-S832 WeakPolarHBondContact OD1-CB 3.44Å
828	L	59	Low	66.2	Low	60 Å²	60	56.4 Å²	56.4	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-30.5	175.2	-73.9	174.7	0	0	0	113.4	H824 A825 Y826 G830 T863 K866	H824-L828 VanDerWaalsContact CE1-CD1 3.45Å; H824-L828 WeakPolarHBondContact CE1-CD1 2.9Å; H824-L828 PolarHBondContact O-N 3.14Å; H824-L828 VanDerWaalsContact O-N 3.08Å; A825-L828 PolarHBondContact O-N 3.28Å; Y826-L828 VanDerWaalsContact C-N 3.29Å; Y826-L828 PolarHBondContact O-N 3.3Å; L828-G830 VanDerWaalsContact C-N 3.26Å; L828-T863 HydrophobicContact CD1-CG2 4.45Å; L828-K866 HydrophobicContact CD1-CD 4.31Å
829	L	60.2	Low	65.3	Low	23 Å²	23	56.7 Å²	56.7	12%	0.12	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.4	176.1	-66.6	172.9	0	0	0	112.8	A825 Y826 D827 Q831 L846 Y849	A825-L829 VanDerWaalsContact O-CG 3.31Å; A825-L829 WeakPolarHBondContact O-CG 3.34Å; A825-L829 PolarHBondContact O-N 2.87Å; Y826-L829 CarbonylContact O-C 3.56Å; Y826-L829 PolarHBondContact O-N 2.71Å; Y826-L829 VanDerWaalsContact O-N 3.1Å; D827-L829 VanDerWaalsContact C-N 3.3Å; D827-L829 PolarHBondContact O-N 2.82Å; L829-Q831 VanDerWaalsContact C-N 3.32Å; L829-Q831 PolarHBondContact O-N 3.03Å; L829-L846 HydrophobicContact CD1-CD2 3.66Å; L829-L846 HydrophobicContact CD1-CG 4.04Å; L829-Y849 HydrophobicContact CD2-CD1 3.59Å; L829-Y849 HydrophobicContact CD2-CD2 4.39Å; L829-Y849 HydrophobicContact CD2-CE1 3.5Å; L829-Y849 VanDerWaalsContact CD2-CE1 3.5Å; L829-Y849 HydrophobicContact CD2-CE2 4.33Å; L829-Y849 HydrophobicContact CD2-CG 4.04Å
830	G	58.4	Low	64.5	Low	62 Å²	62	58.5 Å²	58.5	64%	0.639	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	21.3	-179.9	0	0	0	0	0	114.2	Y826 D827 L828	Y826-G830 PolarHBondContact O-N 2.54Å; D827-G830 PolarHBondContact O-N 2.8Å; D827-G830 VanDerWaalsContact O-N 3.14Å; L828-G830 VanDerWaalsContact C-N 3.26Å
831	Q	57.8	Low	63.8	Low	76 Å²	76	63.9 Å²	63.9	36%	0.355	35%	0.349	S	S	.	.			trans	-107.7	51.8	-179.2	-69.2	-173.1	-1.6	0	0	111.4	Y826 L829 S833	Y826-Q831 HydrophobicContact CD1-CB 3.84Å; Y826-Q831 HydrophobicContact CE1-CB 4.41Å; Y826-Q831 PolarHBondContact O-N 3.09Å; L829-Q831 VanDerWaalsContact C-N 3.32Å; L829-Q831 PolarHBondContact O-N 3.03Å; Q831-S833 PolarHBondContact O-N 2.98Å
832	S	52.9	Low	62.9	Low	92 Å²	92	63.5 Å²	63.5	64%	0.643	35%	0.347	S	S	*	.			trans	-76.4	17.7	-169.6	60.4	0	0	0	0	115.7	D827	D827-S832 WeakPolarHBondContact OD1-CB 3.44Å
833	S	49.8	Very low	62.3	Low	113 Å²	113	63.9 Å²	63.9	79%	0.79	35%	0.349	S	S	*	.			trans	-98	15.1	-167.9	68.5	0	0	0	0	115.5	Q831	Q831-S833 PolarHBondContact O-N 2.98Å
834	V	51.7	Low	61.8	Low	70 Å²	70	65.9 Å²	65.9	42%	0.424	36%	0.361	S	S	.	.			trans	-116.6	112.8	-174.3	-164.9	0	0	0	0	110.8	E836	V834-E836 WeakPolarHBondContact CG1-O 3.35Å
835	E	52.8	Low	61.5	Low	198 Å²	198	65.9 Å²	65.9	93%	0.925	36%	0.364	S	S	*	.	S	Bend	trans	-69.4	-39.1	178.3	-70.8	-173.8	160.6	0	0	112.5
836	E	55.4	Low	61.2	Low	173 Å²	173	66.1 Å²	66.1	81%	0.808	37%	0.365	S	S	*	.	S	Bend	trans	-108.6	109.7	173.4	-79.8	-175.3	162.7	0	0	110.4	V834 D838	V834-E836 WeakPolarHBondContact CG1-O 3.35Å; E836-D838 VanDerWaalsContact C-N 3.33Å; E836-D838 PolarHBondContact O-N 3.29Å
837	C	58.8	Low	61	Low	20 Å²	20	65.3 Å²	65.3	14%	0.135	36%	0.361	C	S	.	.			trans	-70.5	89.6	179.3	-173.3	0	0	0	0	110.4	F822 R823 T839	F822-C837 VanDerWaalsContact CB-SG 3.54Å; R823-C837 HydrophobicContact CB-CB 4.31Å; C837-T839 PolarHBondContact O-N 3.36Å
838	D	67.8	Low	60.9	Low	58 Å²	58	63.4 Å²	63.4	31%	0.31	36%	0.358	S	S	.	.			trans	-61.5	102.3	164.3	-177.8	-23.4	0	0	0	108.4	E836 D840 K841 A842	E836-D838 VanDerWaalsContact C-N 3.33Å; E836-D838 PolarHBondContact O-N 3.29Å; D838-D840 PolarHBondContact O-N 2.79Å; D838-D840 PolarHBondContact OD1-N 3.21Å; D838-K841 HydrophobicContact CB-CB 4.06Å; D838-K841 HydrophobicContact CB-CD 4.08Å; D838-K841 HydrophobicContact CB-CG 4.22Å; D838-K841 PolarHBondContact O-N 3Å; D838-K841 PolarHBondContact OD1-N 3.46Å; D838-K841 VanDerWaalsContact OD2-CD 3.29Å; D838-K841 WeakPolarHBondContact OD2-CD 3.13Å; D838-K841 WeakPolarHBondContact OD2-CE 3.13Å; D838-K841 WeakPolarHBondContact OD2-CG 3.47Å; D838-K841 IonicContact OD2-NZ 3Å; D838-K841 PolarHBondContact OD2-NZ 3.13Å; D838-A842 PolarHBondContact O-N 2.69Å
839	T	68.7	Low	60.8	Low	5 Å²	5	64.3 Å²	64.3	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-29.3	-173.6	47	0	0	0	0	112.4	D815 F822 C837 A842 W843 R902	D815-T839 HydrophobicContact CB-CG2 4.35Å; D815-T839 PolarHBondContact OD1-OG1 3.1Å; D815-T839 VanDerWaalsContact OD1-OG1 3.1Å; F822-T839 HydrophobicContact CD2-CG2 3.77Å; F822-T839 HydrophobicContact CE2-CG2 4.39Å; F822-T839 HydrophobicContact CG-CG2 4.33Å; C837-T839 PolarHBondContact O-N 3.36Å; T839-A842 VanDerWaalsContact O-CB 3.31Å; T839-A842 WeakPolarHBondContact O-CB 3.33Å; T839-A842 PolarHBondContact O-N 3.5Å; T839-W843 PolarHBondContact O-N 2.85Å; T839-R902 PolarHBondContact OG1-NH1 3.11Å; T839-R902 PolarHBondContact OG1-NH2 2.89Å
840	D	68.5	Low	60.6	Low	58 Å²	58	63.9 Å²	63.9	31%	0.31	36%	0.356	S	S	.	.	H	α-helix	trans	-69.8	-45.2	176	-73.2	-48.2	0	0	0	110.7	D838 A842 W843 E844 R902	D838-D840 PolarHBondContact O-N 2.79Å; D838-D840 PolarHBondContact OD1-N 3.21Å; D840-A842 PolarHBondContact O-N 3.47Å; D840-W843 PolarHBondContact O-N 3.24Å; D840-E844 WeakPolarHBondContact O-CG 3.31Å; D840-E844 PolarHBondContact O-N 3.03Å; D840-R902 VanDerWaalsContact CG-NH2 3.31Å; D840-R902 IonicContact OD1-CZ 3.47Å; D840-R902 IonicContact OD1-NE 3.86Å; D840-R902 PolarHBondContact OD1-NE 2.79Å; D840-R902 IonicContact OD1-NH2 2.68Å; D840-R902 PolarHBondContact OD1-NH2 3.29Å; D840-R902 VanDerWaalsContact OD1-NH2 3.12Å; D840-R902 IonicContact OD2-NH2 3.51Å; D840-R902 PolarHBondContact OD2-NH2 3.41Å
841	K	67.5	Low	60.5	Low	114 Å²	114	63.3 Å²	63.3	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-32.1	170.1	-72.3	-178.8	-169.7	127.7	0	112.3	Y826 D838 E844 S845	Y826-K841 PolarHBondContact OH-O 3.41Å; D838-K841 HydrophobicContact CB-CB 4.06Å; D838-K841 HydrophobicContact CB-CD 4.08Å; D838-K841 HydrophobicContact CB-CG 4.22Å; D838-K841 PolarHBondContact O-N 3Å; D838-K841 PolarHBondContact OD1-N 3.46Å; D838-K841 VanDerWaalsContact OD2-CD 3.29Å; D838-K841 WeakPolarHBondContact OD2-CD 3.13Å; D838-K841 WeakPolarHBondContact OD2-CE 3.13Å; D838-K841 WeakPolarHBondContact OD2-CG 3.47Å; D838-K841 IonicContact OD2-NZ 3Å; D838-K841 PolarHBondContact OD2-NZ 3.13Å; K841-E844 PolarHBondContact O-N 3.26Å; K841-S845 WeakPolarHBondContact O-CB 3.34Å; K841-S845 PolarHBondContact O-N 2.92Å; K841-S845 PolarHBondContact O-OG 3.27Å
842	A	64.6	Low	60.2	Low	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-48.7	175.8	0	0	0	0	0	111.3	F822 Y826 D838 T839 D840 S845 L846	F822-A842 HydrophobicContact CB-CB 3.93Å; F822-A842 HydrophobicContact CD1-CB 3.44Å; F822-A842 VanDerWaalsContact CD1-CB 3.44Å; F822-A842 HydrophobicContact CE1-CB 4.25Å; F822-A842 HydrophobicContact CG-CB 3.88Å; Y826-A842 HydrophobicContact CD2-CB 4.04Å; Y826-A842 VanDerWaalsContact CE2-CA 3.47Å; Y826-A842 HydrophobicContact CE2-CB 3.3Å; Y826-A842 VanDerWaalsContact CZ-CA 3.42Å; Y826-A842 WeakPolarHBondContact OH-CA 3.45Å; Y826-A842 PolarHBondContact OH-N 2.92Å; Y826-A842 VanDerWaalsContact OH-N 3.09Å; D838-A842 PolarHBondContact O-N 2.69Å; T839-A842 VanDerWaalsContact O-CB 3.31Å; T839-A842 WeakPolarHBondContact O-CB 3.33Å; T839-A842 PolarHBondContact O-N 3.5Å; D840-A842 PolarHBondContact O-N 3.47Å; A842-S845 PolarHBondContact O-N 2.92Å; A842-L846 VanDerWaalsContact O-CB 3.31Å; A842-L846 WeakPolarHBondContact O-CB 3.46Å; A842-L846 WeakPolarHBondContact O-CD1 3.43Å; A842-L846 WeakPolarHBondContact O-CG 3.43Å; A842-L846 PolarHBondContact O-N 2.92Å
843	W	67.4	Low	59.9	Low	9 Å²	9	66.3 Å²	66.3	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-46.3	173	-81.6	109	0	0	0	112.3	F822 T839 D840 S845 A847 L867 L871 R902 F903 Y906	F822-W843 AromaticContact CE1-CD1 3.81Å; F822-W843 AromaticContact CE1-CD2 3.96Å; F822-W843 HydrophobicContact CE1-CD2 3.96Å; F822-W843 AromaticContact CE1-CE2 3.66Å; F822-W843 HydrophobicContact CE1-CG 4.09Å; F822-W843 HydrophobicContact CE1-CZ2 4.19Å; F822-W843 AromaticContact CE1-NE1 3.51Å; F822-W843 AromaticContact CE2-NE1 3.84Å; F822-W843 AromaticContact CZ-CD1 3.73Å; F822-W843 HydrophobicContact CZ-CD2 4.09Å; F822-W843 AromaticContact CZ-CE2 3.31Å; F822-W843 HydrophobicContact CZ-CG 4.34Å; F822-W843 AromaticContact CZ-CZ2 3.65Å; F822-W843 HydrophobicContact CZ-CZ2 3.65Å; F822-W843 AromaticContact CZ-NE1 3Å; T839-W843 PolarHBondContact O-N 2.85Å; D840-W843 PolarHBondContact O-N 3.24Å; W843-S845 PolarHBondContact O-N 2.98Å; W843-A847 WeakPolarHBondContact O-CB 3.4Å; W843-A847 PolarHBondContact O-N 3.45Å; W843-L867 HydrophobicContact CH2-CD2 4.13Å; W843-L867 HydrophobicContact CZ3-CD2 4.15Å; W843-L871 HydrophobicContact CH2-CD1 4.17Å; W843-L871 HydrophobicContact CZ2-CD1 3.76Å; W843-R902 HydrophobicContact CD2-CB 3.91Å; W843-R902 HydrophobicContact CG-CB 3.9Å; W843-R902 HydrophobicContact CG-CG 4.31Å; W843-R902 HydrophobicContact CZ2-CB 4.16Å; W843-F903 HydrophobicContact CH2-CB 4.43Å; W843-F903 HydrophobicContact CH2-CD2 4.01Å; W843-F903 HydrophobicContact CZ3-CD2 4.2Å; W843-Y906 HydrophobicContact CE3-CD2 4.34Å; W843-Y906 HydrophobicContact CE3-CG 4.23Å; W843-Y906 HydrophobicContact CZ3-CD2 4.4Å; W843-Y906 HydrophobicContact CZ3-CG 4.05Å
844	E	65.8	Low	59.7	Low	114 Å²	114	69.9 Å²	69.9	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-39.4	177.7	-72.2	-180	178.1	0	0	112.5	D840 K841 A847 A848	D840-E844 WeakPolarHBondContact O-CG 3.31Å; D840-E844 PolarHBondContact O-N 3.03Å; K841-E844 PolarHBondContact O-N 3.26Å; E844-A847 PolarHBondContact O-N 3.4Å; E844-A848 WeakPolarHBondContact O-CB 3.46Å; E844-A848 PolarHBondContact O-N 3.49Å
845	S	63.2	Low	59.4	Low	29 Å²	29	69 Å²	69	20%	0.203	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-45.5	179.6	-59.2	0	0	0	0	110.8	Y826 K841 A842 W843 A847 A848 Y849	Y826-S845 PolarHBondContact OH-OG 2.88Å; Y826-S845 VanDerWaalsContact OH-OG 3.07Å; K841-S845 WeakPolarHBondContact O-CB 3.34Å; K841-S845 PolarHBondContact O-N 2.92Å; K841-S845 PolarHBondContact O-OG 3.27Å; A842-S845 PolarHBondContact O-N 2.92Å; W843-S845 PolarHBondContact O-N 2.98Å; S845-A847 VanDerWaalsContact C-N 3.29Å; S845-A847 PolarHBondContact O-N 3.01Å; S845-A848 PolarHBondContact O-N 2.75Å; S845-Y849 WeakPolarHBondContact O-CB 3.23Å; S845-Y849 PolarHBondContact O-N 3.27Å
846	L	62	Low	58.9	Low	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-45.2	172	-85.4	156.3	0	0	0	111	F822 A825 L829 A842 Y849 C850 T863 L867	F822-L846 HydrophobicContact CD1-CD1 4.1Å; F822-L846 HydrophobicContact CE1-CD1 4.07Å; A825-L846 HydrophobicContact CB-CD1 4.39Å; L829-L846 HydrophobicContact CD1-CD2 3.66Å; L829-L846 HydrophobicContact CD1-CG 4.04Å; A842-L846 VanDerWaalsContact O-CB 3.31Å; A842-L846 WeakPolarHBondContact O-CB 3.46Å; A842-L846 WeakPolarHBondContact O-CD1 3.43Å; A842-L846 WeakPolarHBondContact O-CG 3.43Å; A842-L846 PolarHBondContact O-N 2.92Å; L846-Y849 PolarHBondContact O-N 2.85Å; L846-C850 PolarHBondContact O-N 3.31Å; L846-C850 PolarHBondContact O-SG 3.46Å; L846-T863 HydrophobicContact CD2-CG2 4.15Å; L846-L867 HydrophobicContact CD1-CD2 3.53Å
847	A	63	Low	58.4	Low	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.5	-46.3	-179.5	0	0	0	0	0	112.2	W843 E844 S845 Y849 C850 G851 Y906 I909	W843-A847 WeakPolarHBondContact O-CB 3.4Å; W843-A847 PolarHBondContact O-N 3.45Å; E844-A847 PolarHBondContact O-N 3.4Å; S845-A847 VanDerWaalsContact C-N 3.29Å; S845-A847 PolarHBondContact O-N 3.01Å; A847-Y849 VanDerWaalsContact C-N 3.25Å; A847-Y849 PolarHBondContact O-N 3.36Å; A847-C850 PolarHBondContact O-N 2.99Å; A847-G851 PolarHBondContact O-N 3.28Å; A847-Y906 HydrophobicContact CB-CD2 3.78Å; A847-Y906 HydrophobicContact CB-CE2 4.43Å; A847-I909 HydrophobicContact CB-CB 3.87Å; A847-I909 HydrophobicContact CB-CD1 3.17Å; A847-I909 HydrophobicContact CB-CG1 4.05Å; A847-I909 HydrophobicContact CB-CG2 3.96Å; A847-I909 VanDerWaalsContact O-CG2 3.27Å; A847-I909 WeakPolarHBondContact O-CG2 3.29Å
848	A	63.4	Low	57.7	Low	46 Å²	46	59.3 Å²	59.3	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-34.8	175.3	0	0	0	0	0	111.8	E844 S845 G851 K852	E844-A848 WeakPolarHBondContact O-CB 3.46Å; E844-A848 PolarHBondContact O-N 3.49Å; S845-A848 PolarHBondContact O-N 2.75Å; A848-G851 PolarHBondContact O-N 2.85Å; A848-K852 WeakPolarHBondContact O-CB 3.5Å; A848-K852 WeakPolarHBondContact O-CG 3.39Å; A848-K852 PolarHBondContact O-N 2.85Å
849	Y	56.5	Low	56.9	Low	80 Å²	80	60.9 Å²	60.9	31%	0.314	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-48.1	174.5	-167.4	-92.7	0	0	0	111.2	L829 S845 L846 A847 G851 K852 E860	L829-Y849 HydrophobicContact CD2-CD1 3.59Å; L829-Y849 HydrophobicContact CD2-CD2 4.39Å; L829-Y849 HydrophobicContact CD2-CE1 3.5Å; L829-Y849 VanDerWaalsContact CD2-CE1 3.5Å; L829-Y849 HydrophobicContact CD2-CE2 4.33Å; L829-Y849 HydrophobicContact CD2-CG 4.04Å; S845-Y849 WeakPolarHBondContact O-CB 3.23Å; S845-Y849 PolarHBondContact O-N 3.27Å; L846-Y849 PolarHBondContact O-N 2.85Å; A847-Y849 VanDerWaalsContact C-N 3.25Å; A847-Y849 PolarHBondContact O-N 3.36Å; Y849-G851 VanDerWaalsContact C-N 3.3Å; Y849-G851 PolarHBondContact O-N 3.4Å; Y849-K852 PolarHBondContact O-N 2.91Å; Y849-E860 HydrophobicContact CD1-CG 4.13Å; Y849-E860 HydrophobicContact CE1-CG 3.52Å
850	C	56.1	Low	56	Low	14 Å²	14	61.5 Å²	61.5	10%	0.095	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-29.2	174.2	-66.8	0	0	0	0	113.5	L846 A847 Y906 L910	L846-C850 PolarHBondContact O-N 3.31Å; L846-C850 PolarHBondContact O-SG 3.46Å; A847-C850 PolarHBondContact O-N 2.99Å; C850-Y906 HydrophobicContact CB-CE2 4.34Å; C850-Y906 PolarHBondContact SG-OH 2.85Å; C850-L910 HydrophobicContact CB-CD2 3.85Å
851	G	56.1	Low	55.1	Low	49 Å²	49	65 Å²	65	51%	0.505	35%	0.354	S	S	.	.	H	α-helix	trans	-77.9	-31.8	177.9	0	0	0	0	0	113.9	A847 A848 Y849 V853	A847-G851 PolarHBondContact O-N 3.28Å; A848-G851 PolarHBondContact O-N 2.85Å; Y849-G851 VanDerWaalsContact C-N 3.3Å; Y849-G851 PolarHBondContact O-N 3.4Å; G851-V853 VanDerWaalsContact C-N 3.35Å
852	K	53.1	Low	54.7	Low	180 Å²	180	60.9 Å²	60.9	78%	0.783	34%	0.343	S	S	*	.	H	α-helix	trans	-75.2	-21.7	-179.9	-82.2	-179.7	179.2	178.2	0	113.9	A848 Y849	A848-K852 WeakPolarHBondContact O-CB 3.5Å; A848-K852 WeakPolarHBondContact O-CG 3.39Å; A848-K852 PolarHBondContact O-N 2.85Å; Y849-K852 PolarHBondContact O-N 2.91Å
853	V	45	Very low	54.6	Low	52 Å²	52	61.1 Å²	61.1	32%	0.315	35%	0.345	S	S	.	.	S	Bend	trans	-127.9	118.9	-175.8	-176.8	0	0	0	0	106.8	G851 C855	G851-V853 VanDerWaalsContact C-N 3.35Å; V853-C855 VanDerWaalsContact C-N 3.31Å; V853-C855 PolarHBondContact O-N 3.35Å
854	Q	47	Very low	54.4	Low	187 Å²	187	63.1 Å²	63.1	87%	0.874	36%	0.355	S	S	*	.			trans	-52.2	103.8	161.9	-80	178	-24.8	0	0	106.7	S856	Q854-S856 VanDerWaalsContact C-N 3.33Å; Q854-S856 VanDerWaalsContact O-CB 3.27Å; Q854-S856 WeakPolarHBondContact O-CB 3.43Å; Q854-S856 PolarHBondContact O-N 3.5Å; Q854-S856 PolarHBondContact O-OG 2.85Å
855	C	45.2	Very low	54.4	Low	51 Å²	51	61.3 Å²	61.3	35%	0.345	35%	0.351	S	S	.	.	S	Bend	trans	-43.7	90.8	-168.6	-68.6	0	0	0	0	111.9	V853	V853-C855 VanDerWaalsContact C-N 3.31Å; V853-C855 PolarHBondContact O-N 3.35Å
856	S	41.4	Very low	54.7	Low	99 Å²	99	63.6 Å²	63.6	69%	0.692	36%	0.358	S	S	*	.			trans	-116.3	-20.1	-172.7	44.2	0	0	0	0	111.2	Q854	Q854-S856 VanDerWaalsContact C-N 3.33Å; Q854-S856 VanDerWaalsContact O-CB 3.27Å; Q854-S856 WeakPolarHBondContact O-CB 3.43Å; Q854-S856 PolarHBondContact O-N 3.5Å; Q854-S856 PolarHBondContact O-OG 2.85Å
857	S	44.5	Very low	55.3	Low	35 Å²	35	63.5 Å²	63.5	25%	0.245	36%	0.357	C	S	.	.			trans	-85.4	139.6	177.8	98.8	0	0	0	0	112.3	V859 E860	S857-V859 VanDerWaalsContact C-N 3.27Å; S857-V859 PolarHBondContact O-N 3.4Å; S857-E860 VanDerWaalsContact CB-OE1 3.25Å; S857-E860 WeakPolarHBondContact CB-OE1 3.48Å; S857-E860 PolarHBondContact O-N 3.28Å; S857-E860 WeakPolarHBondContact OG-CG 3.26Å; S857-E860 PolarHBondContact OG-N 2.84Å; S857-E860 PolarHBondContact OG-OE1 2.95Å
858	P	46	Very low	55.9	Low	54 Å²	54	65.7 Å²	65.7	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-32	175.6	-21	30.6	0	0	0	113.9	E590 E860 G862	E590-P858 WeakPolarHBondContact OE1-CB 3.48Å; E590-P858 WeakPolarHBondContact OE1-CG 3.15Å; P858-E860 VanDerWaalsContact C-N 3.3Å; P858-E860 PolarHBondContact O-N 3.28Å; P858-G862 PolarHBondContact O-N 2.96Å; P858-G862 VanDerWaalsContact O-N 3.13Å
859	V	49.3	Very low	56.6	Low	91 Å²	91	66.5 Å²	66.5	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-62	-41.6	-178.8	-178	0	0	0	0	110	S857 G862 T863	S857-V859 VanDerWaalsContact C-N 3.27Å; S857-V859 PolarHBondContact O-N 3.4Å; V859-G862 PolarHBondContact O-N 3.21Å; V859-T863 PolarHBondContact O-N 2.67Å; V859-T863 PolarHBondContact O-OG1 2.75Å
860	E	49.8	Very low	57.7	Low	18 Å²	18	62.9 Å²	62.9	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-52.3	179	-78.2	149.7	-136.9	0	0	113.7	Y849 S857 P858 G862 T863 H864	Y849-E860 HydrophobicContact CD1-CG 4.13Å; Y849-E860 HydrophobicContact CE1-CG 3.52Å; S857-E860 VanDerWaalsContact CB-OE1 3.25Å; S857-E860 WeakPolarHBondContact CB-OE1 3.48Å; S857-E860 PolarHBondContact O-N 3.28Å; S857-E860 WeakPolarHBondContact OG-CG 3.26Å; S857-E860 PolarHBondContact OG-N 2.84Å; S857-E860 PolarHBondContact OG-OE1 2.95Å; P858-E860 VanDerWaalsContact C-N 3.3Å; P858-E860 PolarHBondContact O-N 3.28Å; E860-G862 PolarHBondContact O-N 3.32Å; E860-T863 PolarHBondContact O-N 2.99Å; E860-T863 VanDerWaalsContact O-N 3.14Å; E860-H864 PolarHBondContact O-N 3.27Å; E860-H864 VanDerWaalsContact O-N 3.14Å
861	K	50.8	Low	59.1	Low	132 Å²	132	62.5 Å²	62.5	57%	0.574	35%	0.349	S	S	*	.	H	α-helix	trans	-60.8	-36.4	177.6	-69.4	-174.4	-179.6	-178.4	0	110.8	V865	K861-V865 WeakPolarHBondContact O-CG2 3.37Å; K861-V865 PolarHBondContact O-N 2.76Å
862	G	59.3	Low	60.5	Low	27 Å²	27	60.9 Å²	60.9	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-44.8	173.8	0	0	0	0	0	112.9	P858 V859 E860 V865 K866	P858-G862 PolarHBondContact O-N 2.96Å; P858-G862 VanDerWaalsContact O-N 3.13Å; V859-G862 PolarHBondContact O-N 3.21Å; E860-G862 PolarHBondContact O-N 3.32Å; G862-V865 PolarHBondContact O-N 3.17Å; G862-K866 WeakPolarHBondContact O-CB 3.4Å; G862-K866 WeakPolarHBondContact O-CG 3.38Å; G862-K866 PolarHBondContact O-N 3.22Å
863	T	61.3	Low	62	Low	6 Å²	6	55.4 Å²	55.4	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-43	-179.7	-56.6	0	0	0	0	112.1	A825 L828 L846 V859 E860 K866 L867	A825-T863 HydrophobicContact CB-CG2 4.12Å; L828-T863 HydrophobicContact CD1-CG2 4.45Å; L846-T863 HydrophobicContact CD2-CG2 4.15Å; V859-T863 PolarHBondContact O-N 2.67Å; V859-T863 PolarHBondContact O-OG1 2.75Å; E860-T863 PolarHBondContact O-N 2.99Å; E860-T863 VanDerWaalsContact O-N 3.14Å; T863-K866 PolarHBondContact O-N 3.26Å; T863-L867 WeakPolarHBondContact O-CB 3.48Å; T863-L867 PolarHBondContact O-N 2.91Å
864	H	63.9	Low	64.1	Low	50 Å²	50	53.1 Å²	53.1	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-47.1	176.7	175.6	-92.6	0	0	0	112.2	E860 K866 L867 K868 F903 Y906	E860-H864 PolarHBondContact O-N 3.27Å; E860-H864 VanDerWaalsContact O-N 3.14Å; H864-K866 VanDerWaalsContact C-N 3.32Å; H864-K866 PolarHBondContact O-N 2.87Å; H864-L867 PolarHBondContact O-N 3.47Å; H864-K868 WeakPolarHBondContact O-CB 3.32Å; H864-K868 PolarHBondContact O-N 2.84Å; H864-F903 AromaticContact NE2-CE2 3.85Å; H864-Y906 AromaticContact CD2-CE1 3.52Å; H864-Y906 AromaticContact CD2-CZ 3.55Å; H864-Y906 PolarHBondContact CD2-OH 3.47Å; H864-Y906 VanDerWaalsContact CD2-OH 3.31Å; H864-Y906 AromaticContact NE2-CE1 3.55Å
865	V	65.8	Low	66.2	Low	76 Å²	76	44.2 Å²	44.2	46%	0.461	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-40.3	177.3	174.2	0	0	0	0	111	K861 G862 N869	K861-V865 WeakPolarHBondContact O-CG2 3.37Å; K861-V865 PolarHBondContact O-N 2.76Å; G862-V865 PolarHBondContact O-N 3.17Å; V865-N869 WeakPolarHBondContact O-CB 3.07Å; V865-N869 PolarHBondContact O-N 3.24Å; V865-N869 PolarHBondContact O-ND2 3.37Å
866	K	69.4	Low	68.4	Low	78 Å²	78	43.2 Å²	43.2	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-43.8	177.4	-76.7	171.5	175.7	-165.6	0	112.5	Y667 L828 G862 T863 H864 N869 G870	Y667-K866 WeakPolarHBondContact OH-CD 3.41Å; Y667-K866 WeakPolarHBondContact OH-CE 3.46Å; Y667-K866 PolarHBondContact OH-NZ 3.09Å; L828-K866 HydrophobicContact CD1-CD 4.31Å; G862-K866 WeakPolarHBondContact O-CB 3.4Å; G862-K866 WeakPolarHBondContact O-CG 3.38Å; G862-K866 PolarHBondContact O-N 3.22Å; T863-K866 PolarHBondContact O-N 3.26Å; H864-K866 VanDerWaalsContact C-N 3.32Å; H864-K866 PolarHBondContact O-N 2.87Å; K866-N869 PolarHBondContact O-N 3.28Å; K866-G870 PolarHBondContact O-N 3.42Å
867	L	74.2	Confident	70.7	Confident	9 Å²	9	39 Å²	39	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-50.7	176.7	177.6	64.1	0	0	0	111.1	V821 F822 W843 L846 T863 H864 N869 G870 L871	V821-L867 HydrophobicContact CG1-CD1 3.67Å; F822-L867 HydrophobicContact CD1-CD1 3.92Å; F822-L867 HydrophobicContact CE1-CD1 3.59Å; F822-L867 HydrophobicContact CE1-CD2 3.86Å; F822-L867 HydrophobicContact CE1-CG 4.3Å; F822-L867 HydrophobicContact CE2-CD1 4.3Å; F822-L867 HydrophobicContact CG-CD1 4.41Å; F822-L867 HydrophobicContact CZ-CD1 3.73Å; F822-L867 HydrophobicContact CZ-CD2 4.39Å; F822-L867 HydrophobicContact CZ-CG 4.5Å; W843-L867 HydrophobicContact CH2-CD2 4.13Å; W843-L867 HydrophobicContact CZ3-CD2 4.15Å; L846-L867 HydrophobicContact CD1-CD2 3.53Å; T863-L867 WeakPolarHBondContact O-CB 3.48Å; T863-L867 PolarHBondContact O-N 2.91Å; H864-L867 PolarHBondContact O-N 3.47Å; L867-N869 VanDerWaalsContact C-N 3.32Å; L867-N869 PolarHBondContact O-N 3.22Å; L867-G870 PolarHBondContact O-N 2.9Å; L867-L871 HydrophobicContact CD1-CD1 4.37Å; L867-L871 HydrophobicContact CD1-CG 4.4Å; L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 WeakPolarHBondContact O-CG 3.3Å; L867-L871 PolarHBondContact O-N 3.21Å
868	K	76.6	Confident	72.9	Confident	45 Å²	45	37.4 Å²	37.4	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-53.2	-50.9	176.4	174.9	-176.6	173.1	176.3	0	111	H864 L871 I872 N948	H864-K868 WeakPolarHBondContact O-CB 3.32Å; H864-K868 PolarHBondContact O-N 2.84Å; K868-L871 PolarHBondContact O-N 3.3Å; K868-I872 HydrophobicContact CD-CD1 4.47Å; K868-I872 HydrophobicContact CG-CD1 3.77Å; K868-I872 WeakPolarHBondContact O-CD1 3.18Å; K868-I872 VanDerWaalsContact O-CG1 3.27Å; K868-I872 WeakPolarHBondContact O-CG1 3.16Å; K868-I872 PolarHBondContact O-N 2.8Å; K868-N948 WeakPolarHBondContact CE-O 3.27Å; K868-N948 PolarHBondContact NZ-O 2.85Å
869	N	78.1	Confident	75.1	Confident	63 Å²	63	34.8 Å²	34.8	34%	0.337	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-40.4	-178.3	-68.9	-10.9	0	0	0	111.8	V865 K866 L867 L871 I872 D873	V865-N869 WeakPolarHBondContact O-CB 3.07Å; V865-N869 PolarHBondContact O-N 3.24Å; V865-N869 PolarHBondContact O-ND2 3.37Å; K866-N869 PolarHBondContact O-N 3.28Å; L867-N869 VanDerWaalsContact C-N 3.32Å; L867-N869 PolarHBondContact O-N 3.22Å; N869-L871 PolarHBondContact O-N 3.06Å; N869-I872 PolarHBondContact O-N 3.43Å; N869-D873 WeakPolarHBondContact O-CB 3.45Å; N869-D873 PolarHBondContact O-N 3Å
870	G	79.4	Confident	76.9	Confident	5 Å²	5	31.8 Å²	31.8	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-43.8	175.8	0	0	0	0	0	112.7	K866 L867 D873 V874	K866-G870 PolarHBondContact O-N 3.42Å; L867-G870 PolarHBondContact O-N 2.9Å; G870-D873 PolarHBondContact O-N 3.12Å; G870-V874 WeakPolarHBondContact O-CB 3.41Å; G870-V874 VanDerWaalsContact O-CG2 3.26Å; G870-V874 WeakPolarHBondContact O-CG2 3.35Å; G870-V874 PolarHBondContact O-N 3.06Å
871	L	84.4	Confident	78.2	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-43	174.9	-67.7	173.9	0	0	0	112	W818 F822 W843 L867 K868 N869 F875	W818-L871 HydrophobicContact CB-CD2 3.84Å; W818-L871 HydrophobicContact CD2-CD2 3.59Å; W818-L871 HydrophobicContact CE3-CD2 4.18Å; W818-L871 HydrophobicContact CG-CD2 3.39Å; F822-L871 HydrophobicContact CE2-CD2 4.04Å; F822-L871 HydrophobicContact CZ-CD1 4.4Å; F822-L871 HydrophobicContact CZ-CD2 4.43Å; W843-L871 HydrophobicContact CH2-CD1 4.17Å; W843-L871 HydrophobicContact CZ2-CD1 3.76Å; L867-L871 HydrophobicContact CD1-CD1 4.37Å; L867-L871 HydrophobicContact CD1-CG 4.4Å; L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 WeakPolarHBondContact O-CG 3.3Å; L867-L871 PolarHBondContact O-N 3.21Å; K868-L871 PolarHBondContact O-N 3.3Å; N869-L871 PolarHBondContact O-N 3.06Å; L871-F875 VanDerWaalsContact O-CB 3.3Å; L871-F875 WeakPolarHBondContact O-CB 3.48Å; L871-F875 PolarHBondContact O-N 2.89Å
872	I	85.8	Confident	79	Confident	15 Å²	15	30.9 Å²	30.9	8%	0.077	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-43.3	177	-69.5	166.1	0	0	0	110.8	K868 N869 F875 N876 I953	K868-I872 HydrophobicContact CD-CD1 4.47Å; K868-I872 HydrophobicContact CG-CD1 3.77Å; K868-I872 WeakPolarHBondContact O-CD1 3.18Å; K868-I872 VanDerWaalsContact O-CG1 3.27Å; K868-I872 WeakPolarHBondContact O-CG1 3.16Å; K868-I872 PolarHBondContact O-N 2.8Å; N869-I872 PolarHBondContact O-N 3.43Å; I872-F875 PolarHBondContact O-N 3.49Å; I872-N876 VanDerWaalsContact CG2-ND2 3.26Å; I872-N876 WeakPolarHBondContact CG2-ND2 3.37Å; I872-N876 WeakPolarHBondContact O-CB 3.37Å; I872-N876 VanDerWaalsContact O-CG 3.24Å; I872-N876 PolarHBondContact O-N 3.16Å; I872-N876 PolarHBondContact O-ND2 3.23Å; I872-I953 HydrophobicContact CG1-CG2 4.28Å; I872-I953 HydrophobicContact CG2-CG2 4.48Å
873	D	84.4	Confident	79.5	Confident	65 Å²	65	29.8 Å²	29.8	35%	0.348	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-45	-179.6	-71.3	-21.2	0	0	0	110.9	N869 G870 L877	N869-D873 WeakPolarHBondContact O-CB 3.45Å; N869-D873 PolarHBondContact O-N 3Å; G870-D873 PolarHBondContact O-N 3.12Å; D873-L877 WeakPolarHBondContact O-CB 3.49Å; D873-L877 PolarHBondContact O-N 3.09Å
874	V	88.2	Confident	80.6	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-47.2	175	169.7	0	0	0	0	111.2	Y698 K817 V821 G870 S878	Y698-V874 HydrophobicContact CD1-CG1 4.5Å; Y698-V874 HydrophobicContact CE1-CG1 3.92Å; K817-V874 HydrophobicContact CB-CG1 4.11Å; V821-V874 HydrophobicContact CG2-CG2 4.18Å; G870-V874 WeakPolarHBondContact O-CB 3.41Å; G870-V874 VanDerWaalsContact O-CG2 3.26Å; G870-V874 WeakPolarHBondContact O-CG2 3.35Å; G870-V874 PolarHBondContact O-N 3.06Å; V874-S878 VanDerWaalsContact O-CB 3.29Å; V874-S878 WeakPolarHBondContact O-CB 3.45Å; V874-S878 PolarHBondContact O-N 2.87Å; V874-S878 PolarHBondContact O-OG 3.33Å
875	F	92.3	Very high	81.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-51.7	178.6	-175.1	-81.9	0	0	0	111.3	L871 I872 L877 S878 Y879 A892 E895 T896 I899 I953 L957	L871-F875 VanDerWaalsContact O-CB 3.3Å; L871-F875 WeakPolarHBondContact O-CB 3.48Å; L871-F875 PolarHBondContact O-N 2.89Å; I872-F875 PolarHBondContact O-N 3.49Å; F875-L877 PolarHBondContact O-N 2.86Å; F875-S878 WeakPolarHBondContact O-CB 3.47Å; F875-S878 PolarHBondContact O-N 3.23Å; F875-S878 VanDerWaalsContact O-N 3.13Å; F875-Y879 AromaticContact CD1-CD2 3.84Å; F875-Y879 HydrophobicContact CD1-CD2 3.84Å; F875-Y879 AromaticContact CD2-CD2 3.77Å; F875-Y879 HydrophobicContact CD2-CD2 3.77Å; F875-Y879 AromaticContact CD2-CE2 3.6Å; F875-Y879 HydrophobicContact CD2-CE2 3.6Å; F875-Y879 AromaticContact CE1-CD2 3.69Å; F875-Y879 HydrophobicContact CE1-CD2 3.69Å; F875-Y879 HydrophobicContact CE1-CE2 4.42Å; F875-Y879 AromaticContact CE2-CD2 3.63Å; F875-Y879 HydrophobicContact CE2-CD2 3.63Å; F875-Y879 AromaticContact CE2-CE2 3.51Å; F875-Y879 HydrophobicContact CE2-CE2 3.51Å; F875-Y879 AromaticContact CG-CD2 3.87Å; F875-Y879 HydrophobicContact CG-CD2 3.87Å; F875-Y879 HydrophobicContact CG-CE2 4.11Å; F875-Y879 AromaticContact CZ-CD2 3.59Å; F875-Y879 HydrophobicContact CZ-CD2 3.59Å; F875-Y879 AromaticContact CZ-CE2 3.96Å; F875-Y879 HydrophobicContact CZ-CE2 3.96Å; F875-Y879 WeakPolarHBondContact O-CD2 3.45Å; F875-Y879 PolarHBondContact O-N 3.42Å; F875-A892 HydrophobicContact CE2-CB 4.48Å; F875-A892 HydrophobicContact CZ-CB 4.27Å; F875-E895 HydrophobicContact CD2-CG 4.14Å; F875-E895 HydrophobicContact CE2-CB 4.43Å; F875-E895 HydrophobicContact CE2-CG 4.5Å; F875-T896 VanDerWaalsContact CE2-OG1 3.31Å; F875-T896 WeakPolarHBondContact CE2-OG1 3.25Å; F875-T896 WeakPolarHBondContact CZ-OG1 3.44Å; F875-I899 HydrophobicContact CD2-CD1 4.15Å; F875-I953 HydrophobicContact CB-CG2 4.2Å; F875-I953 HydrophobicContact CD1-CB 3.56Å; F875-I953 HydrophobicContact CD1-CG2 3.59Å; F875-I953 HydrophobicContact CE1-CB 3.63Å; F875-I953 HydrophobicContact CE1-CD1 4.46Å; F875-I953 HydrophobicContact CE1-CG1 4.45Å; F875-I953 HydrophobicContact CE1-CG2 4.19Å; F875-I953 HydrophobicContact CG-CB 4.28Å; F875-I953 HydrophobicContact CG-CG2 3.94Å; F875-I953 HydrophobicContact CZ-CB 4.36Å; F875-I953 HydrophobicContact CZ-CD1 4.38Å; F875-L957 HydrophobicContact CE1-CB 4.27Å; F875-L957 HydrophobicContact CZ-CB 4.15Å; F875-L957 HydrophobicContact CZ-CD1 4.33Å
876	N	91.4	Very high	82.9	Confident	31 Å²	31	30 Å²	30	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-48.8	-176.3	-76.8	-19.6	0	0	0	110.5	I872 S878 Y879 S880 S952 N956	I872-N876 VanDerWaalsContact CG2-ND2 3.26Å; I872-N876 WeakPolarHBondContact CG2-ND2 3.37Å; I872-N876 WeakPolarHBondContact O-CB 3.37Å; I872-N876 VanDerWaalsContact O-CG 3.24Å; I872-N876 PolarHBondContact O-N 3.16Å; I872-N876 PolarHBondContact O-ND2 3.23Å; N876-S878 VanDerWaalsContact C-N 3.26Å; N876-S878 PolarHBondContact O-N 3.38Å; N876-Y879 PolarHBondContact O-N 3.39Å; N876-Y879 VanDerWaalsContact O-N 3.14Å; N876-S880 WeakPolarHBondContact O-CB 3.43Å; N876-S880 PolarHBondContact O-N 3.08Å; N876-S880 PolarHBondContact O-OG 2.76Å; N876-S952 PolarHBondContact ND2-O 2.97Å; N876-N956 WeakPolarHBondContact CB-ND2 3.15Å; N876-N956 PolarHBondContact OD1-ND2 3.47Å
877	L	89.5	Confident	83.7	Confident	11 Å²	11	27.3 Å²	27.3	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-28.8	177.2	-167.9	62.7	0	0	0	112	L685 V687 V700 E702 K707 D873 F875	L685-L877 HydrophobicContact CD2-CD1 3.72Å; L685-L877 HydrophobicContact CD2-CD2 4.35Å; L685-L877 HydrophobicContact CG-CD1 4.29Å; L685-L877 HydrophobicContact CG-CD2 4.16Å; V687-L877 HydrophobicContact CB-CD2 3.55Å; V687-L877 HydrophobicContact CG2-CD2 3.43Å; V687-L877 VanDerWaalsContact CG2-CD2 3.43Å; V700-L877 HydrophobicContact CB-CD2 3.9Å; V700-L877 HydrophobicContact CB-CG 4Å; V700-L877 HydrophobicContact CG1-CD2 4.06Å; V700-L877 HydrophobicContact CG1-CG 3.75Å; E702-L877 HydrophobicContact CB-CD1 4.36Å; K707-L877 WeakPolarHBondContact CE-O 3.22Å; K707-L877 PolarHBondContact NZ-O 2.9Å; D873-L877 WeakPolarHBondContact O-CB 3.49Å; D873-L877 PolarHBondContact O-N 3.09Å; F875-L877 PolarHBondContact O-N 2.86Å
878	S	90.6	Very high	84.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-40.9	173.1	-65.1	0	0	0	0	112.3	Y698 K707 V874 F875 N876	Y698-S878 PolarHBondContact OH-OG 2.98Å; Y698-S878 VanDerWaalsContact OH-OG 3.08Å; K707-S878 VanDerWaalsContact NZ-C 3.3Å; K707-S878 PolarHBondContact NZ-O 3.3Å; V874-S878 VanDerWaalsContact O-CB 3.29Å; V874-S878 WeakPolarHBondContact O-CB 3.45Å; V874-S878 PolarHBondContact O-N 2.87Å; V874-S878 PolarHBondContact O-OG 3.33Å; F875-S878 WeakPolarHBondContact O-CB 3.47Å; F875-S878 PolarHBondContact O-N 3.23Å; F875-S878 VanDerWaalsContact O-N 3.13Å; N876-S878 VanDerWaalsContact C-N 3.26Å; N876-S878 PolarHBondContact O-N 3.38Å
879	Y	92.6	Very high	85.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-117.2	6.7	-166	-54.8	-60.5	0	0	0	115.8	K817 F875 N876 V884 L888 D891 A892 E895 L960	K817-Y879 PolarHBondContact NZ-OH 3.02Å; F875-Y879 AromaticContact CD1-CD2 3.84Å; F875-Y879 HydrophobicContact CD1-CD2 3.84Å; F875-Y879 AromaticContact CD2-CD2 3.77Å; F875-Y879 HydrophobicContact CD2-CD2 3.77Å; F875-Y879 AromaticContact CD2-CE2 3.6Å; F875-Y879 HydrophobicContact CD2-CE2 3.6Å; F875-Y879 AromaticContact CE1-CD2 3.69Å; F875-Y879 HydrophobicContact CE1-CD2 3.69Å; F875-Y879 HydrophobicContact CE1-CE2 4.42Å; F875-Y879 AromaticContact CE2-CD2 3.63Å; F875-Y879 HydrophobicContact CE2-CD2 3.63Å; F875-Y879 AromaticContact CE2-CE2 3.51Å; F875-Y879 HydrophobicContact CE2-CE2 3.51Å; F875-Y879 AromaticContact CG-CD2 3.87Å; F875-Y879 HydrophobicContact CG-CD2 3.87Å; F875-Y879 HydrophobicContact CG-CE2 4.11Å; F875-Y879 AromaticContact CZ-CD2 3.59Å; F875-Y879 HydrophobicContact CZ-CD2 3.59Å; F875-Y879 AromaticContact CZ-CE2 3.96Å; F875-Y879 HydrophobicContact CZ-CE2 3.96Å; F875-Y879 WeakPolarHBondContact O-CD2 3.45Å; F875-Y879 PolarHBondContact O-N 3.42Å; N876-Y879 PolarHBondContact O-N 3.39Å; N876-Y879 VanDerWaalsContact O-N 3.14Å; Y879-V884 WeakPolarHBondContact O-CG2 3.45Å; Y879-L888 HydrophobicContact CD1-CB 4.18Å; Y879-L888 HydrophobicContact CE1-CB 4.23Å; Y879-D891 PolarHBondContact OH-O 2.85Å; Y879-A892 HydrophobicContact CD1-CB 3.84Å; Y879-A892 HydrophobicContact CD2-CB 3.96Å; Y879-A892 HydrophobicContact CE1-CB 3.68Å; Y879-A892 HydrophobicContact CE2-CB 3.81Å; Y879-A892 HydrophobicContact CG-CB 3.97Å; Y879-A892 VanDerWaalsContact CZ-CA 3.47Å; Y879-A892 PolarHBondContact OH-N 2.94Å; Y879-E895 WeakPolarHBondContact CE2-OE2 3.36Å; Y879-E895 VanDerWaalsContact CZ-OE2 3.31Å; Y879-E895 PolarHBondContact OH-OE2 3.45Å; Y879-L960 HydrophobicContact CD1-CD1 3.84Å; Y879-L960 HydrophobicContact CG-CD1 3.99Å
880	S	86	Confident	85.7	Confident	27 Å²	27	28.5 Å²	28.5	19%	0.189	17%	0.166	C	C	.	.	S	Bend	trans	-103.2	171.9	175.2	73.1	0	0	0	0	114	K707 N876 V884 N956	K707-S880 PolarHBondContact NZ-O 3.01Å; N876-S880 WeakPolarHBondContact O-CB 3.43Å; N876-S880 PolarHBondContact O-N 3.08Å; N876-S880 PolarHBondContact O-OG 2.76Å; S880-V884 WeakPolarHBondContact O-CG2 3.2Å; S880-N956 VanDerWaalsContact CB-OD1 3.24Å; S880-N956 WeakPolarHBondContact CB-OD1 3.39Å
881	G	78.4	Confident	86.2	Confident	50 Å²	50	28.6 Å²	28.6	52%	0.515	17%	0.165	S	C	.	.	S	Bend	trans	86	-161.3	162.3	0	0	0	0	0	116.6	E702 G883 V884	E702-G881 WeakPolarHBondContact OE1-CA 3.18Å; G881-G883 PolarHBondContact O-N 2.95Å; G881-V884 WeakPolarHBondContact O-CG2 3.36Å
882	T	67.3	Low	86.6	Confident	82 Å²	82	28.3 Å²	28.3	50%	0.503	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.3	-170	50.9	0	0	0	0	114.2	E702	E702-T882 PolarHBondContact OE1-N 3.45Å
883	G	70.4	Confident	86.9	Confident	3 Å²	3	28 Å²	28	3%	0.031	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	27.6	-178.9	0	0	0	0	0	114.2	V724 G881	V724-G883 WeakPolarHBondContact CB-O 3.44Å; V724-G883 WeakPolarHBondContact CG1-O 3.16Å; V724-G883 WeakPolarHBondContact CG2-O 3.44Å; G881-G883 PolarHBondContact O-N 2.95Å
884	V	84.1	Confident	87.1	Confident	27 Å²	27	29.7 Å²	29.7	16%	0.164	17%	0.168	C	C	.	.			trans	-83.9	117.3	178.9	-177.2	0	0	0	0	109.8	Y879 S880 G881 L960 I963	Y879-V884 WeakPolarHBondContact O-CG2 3.45Å; S880-V884 WeakPolarHBondContact O-CG2 3.2Å; G881-V884 WeakPolarHBondContact O-CG2 3.36Å; V884-L960 HydrophobicContact CG1-CD2 3.35Å; V884-L960 HydrophobicContact CG1-CG 4.07Å; V884-I963 HydrophobicContact CB-CD1 4.06Å; V884-I963 HydrophobicContact CG1-CD1 3.48Å; V884-I963 VanDerWaalsContact CG1-CD1 3.48Å
885	H	89	Confident	87.2	Confident	36 Å²	36	29.7 Å²	29.7	17%	0.167	17%	0.168	C	C	.	.			trans	-115.6	145.8	-178.9	-172.5	-99	0	0	0	111.9	V724 C730 Y746 C887 L888	V724-H885 HydrophobicContact CG1-CB 4.04Å; V724-H885 HydrophobicContact CG2-CB 4.14Å; C730-H885 HydrophobicContact CB-CB 4.34Å; Y746-H885 AromaticContact CG-CE1 3.97Å; H885-C887 WeakPolarHBondContact ND1-CB 3.35Å; H885-C887 PolarHBondContact ND1-N 3.41Å; H885-C887 PolarHBondContact ND1-SG 3.42Å; H885-C887 PolarHBondContact O-N 2.95Å; H885-L888 WeakPolarHBondContact O-CB 3.43Å; H885-L888 PolarHBondContact O-N 3.37Å
886	R	88.2	Confident	87.1	Confident	75 Å²	75	29.7 Å²	29.7	28%	0.283	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-54.8	-24.2	-177.1	-67.9	179.5	178.9	-171	-1.9	114.2	L888 I963 K964 E966 D967	R886-L888 VanDerWaalsContact C-N 3.32Å; R886-I963 HydrophobicContact CB-CG2 4.49Å; R886-I963 WeakPolarHBondContact CD-O 3.37Å; R886-I963 HydrophobicContact CG-CB 4.3Å; R886-I963 HydrophobicContact CG-CG2 3.31Å; R886-I963 PolarHBondContact NE-O 2.99Å; R886-K964 HydrophobicContact CB-CD 4.47Å; R886-E966 IonicContact CZ-OE2 3.45Å; R886-E966 IonicContact NH2-OE2 3.92Å; R886-E966 PolarHBondContact NH2-OE2 2.83Å; R886-D967 IonicContact CZ-OD1 3.85Å; R886-D967 IonicContact CZ-OD2 3.84Å; R886-D967 IonicContact NH1-OD1 3.89Å; R886-D967 IonicContact NH1-OD2 2.91Å; R886-D967 PolarHBondContact NH1-OD2 3.15Å; R886-D967 IonicContact NH2-OD1 3.72Å; R886-D967 PolarHBondContact NH2-OD1 3.08Å; R886-D967 VanDerWaalsContact NH2-OD1 3.17Å; R886-D967 IonicContact NH2-OD2 3.64Å
887	C	86.1	Confident	86.8	Confident	21 Å²	21	33.2 Å²	33.2	14%	0.142	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-74.3	-19.3	-179.8	74.5	0	0	0	0	113.9	Y746 H885 L889	Y746-C887 HydrophobicContact CE2-CB 4.24Å; H885-C887 WeakPolarHBondContact ND1-CB 3.35Å; H885-C887 PolarHBondContact ND1-N 3.41Å; H885-C887 PolarHBondContact ND1-SG 3.42Å; H885-C887 PolarHBondContact O-N 2.95Å; C887-L889 VanDerWaalsContact C-N 3.28Å; C887-L889 PolarHBondContact O-N 2.78Å
888	L	90.4	Very high	86.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-79.8	-9.4	-176	-64.1	176.6	0	0	0	113.3	L709 V722 F811 Y879 H885 R886 L890 D891 A892 L960	L709-L888 HydrophobicContact CD1-CD2 4.24Å; L709-L888 HydrophobicContact CD2-CD1 4.39Å; V722-L888 HydrophobicContact CG1-CD2 4.33Å; V722-L888 HydrophobicContact CG2-CD2 4.42Å; F811-L888 HydrophobicContact CE2-CD2 3.76Å; F811-L888 HydrophobicContact CZ-CD2 4.49Å; Y879-L888 HydrophobicContact CD1-CB 4.18Å; Y879-L888 HydrophobicContact CE1-CB 4.23Å; H885-L888 WeakPolarHBondContact O-CB 3.43Å; H885-L888 PolarHBondContact O-N 3.37Å; R886-L888 VanDerWaalsContact C-N 3.32Å; L888-L890 PolarHBondContact O-N 3.25Å; L888-D891 PolarHBondContact O-N 3.34Å; L888-A892 WeakPolarHBondContact O-CB 3.37Å; L888-A892 PolarHBondContact O-N 2.92Å; L888-L960 HydrophobicContact CB-CD2 4.03Å
889	L	92.1	Very high	86.1	Confident	15 Å²	15	34 Å²	34	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-47.7	-178.3	176.7	62.8	0	0	0	111.8	C887 D891 A892 V893 L960 Y961 K964	C887-L889 VanDerWaalsContact C-N 3.28Å; C887-L889 PolarHBondContact O-N 2.78Å; L889-D891 VanDerWaalsContact C-N 3.3Å; L889-D891 PolarHBondContact O-N 3.32Å; L889-A892 PolarHBondContact O-N 3.22Å; L889-V893 HydrophobicContact CD1-CG2 4.02Å; L889-V893 HydrophobicContact CG-CG2 4.37Å; L889-V893 VanDerWaalsContact O-CG2 3.27Å; L889-V893 WeakPolarHBondContact O-CG2 3.3Å; L889-V893 PolarHBondContact O-N 3Å; L889-L960 HydrophobicContact CB-CB 4.21Å; L889-L960 HydrophobicContact CD1-CB 3.66Å; L889-Y961 HydrophobicContact CD1-CD1 4.16Å; L889-Y961 HydrophobicContact CD1-CD2 3.68Å; L889-Y961 HydrophobicContact CD1-CE1 4.09Å; L889-Y961 HydrophobicContact CD1-CE2 3.62Å; L889-Y961 HydrophobicContact CD1-CG 3.96Å; L889-Y961 HydrophobicContact CD2-CD1 4.04Å; L889-Y961 HydrophobicContact CD2-CE1 4.1Å; L889-Y961 HydrophobicContact CD2-CG 4.47Å; L889-K964 HydrophobicContact CD2-CB 3.69Å; L889-K964 HydrophobicContact CD2-CG 3.68Å
890	L	89.7	Confident	85.5	Confident	127 Å²	127	35.4 Å²	35.4	67%	0.665	19%	0.194	S	C	*	.	H	α-helix	trans	-61.2	-42.7	-178.6	-70.3	175.8	0	0	0	111.4	L888 V893 Q894	L888-L890 PolarHBondContact O-N 3.25Å; L890-V893 PolarHBondContact O-N 2.97Å; L890-Q894 WeakPolarHBondContact O-CG 3.46Å; L890-Q894 PolarHBondContact O-N 3.39Å
891	D	90.5	Very high	85.1	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.032	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-41.8	179.1	-48.6	-61.8	0	0	0	111.3	R732 F811 Y879 L888 L889 V893 Q894 E895	R732-D891 IonicContact CZ-OD1 2.77Å; R732-D891 VanDerWaalsContact CZ-OD1 3.3Å; R732-D891 IonicContact CZ-OD2 2.64Å; R732-D891 VanDerWaalsContact NH1-CG 3.27Å; R732-D891 IonicContact NH1-OD1 2.94Å; R732-D891 PolarHBondContact NH1-OD1 3.32Å; R732-D891 IonicContact NH1-OD2 3.55Å; R732-D891 PolarHBondContact NH1-OD2 3.28Å; R732-D891 IonicContact NH2-OD1 3.28Å; R732-D891 PolarHBondContact NH2-OD1 3.14Å; R732-D891 IonicContact NH2-OD2 3.83Å; F811-D891 HydrophobicContact CD1-CB 3.77Å; F811-D891 HydrophobicContact CD2-CB 4.44Å; F811-D891 HydrophobicContact CE1-CB 3.42Å; F811-D891 VanDerWaalsContact CE1-CB 3.42Å; F811-D891 HydrophobicContact CE2-CB 4.13Å; F811-D891 HydrophobicContact CG-CB 4.28Å; F811-D891 HydrophobicContact CZ-CB 3.61Å; Y879-D891 PolarHBondContact OH-O 2.85Å; L888-D891 PolarHBondContact O-N 3.34Å; L889-D891 VanDerWaalsContact C-N 3.3Å; L889-D891 PolarHBondContact O-N 3.32Å; D891-V893 VanDerWaalsContact C-N 3.34Å; D891-V893 PolarHBondContact O-N 2.87Å; D891-Q894 PolarHBondContact O-N 2.83Å; D891-E895 WeakPolarHBondContact O-CB 3.24Å; D891-E895 PolarHBondContact O-N 3.05Å
892	A	92.8	Very high	85.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-38.7	176.3	0	0	0	0	0	112.3	F875 Y879 L888 L889 T896 L957 L960	F875-A892 HydrophobicContact CE2-CB 4.48Å; F875-A892 HydrophobicContact CZ-CB 4.27Å; Y879-A892 HydrophobicContact CD1-CB 3.84Å; Y879-A892 HydrophobicContact CD2-CB 3.96Å; Y879-A892 HydrophobicContact CE1-CB 3.68Å; Y879-A892 HydrophobicContact CE2-CB 3.81Å; Y879-A892 HydrophobicContact CG-CB 3.97Å; Y879-A892 VanDerWaalsContact CZ-CA 3.47Å; Y879-A892 PolarHBondContact OH-N 2.94Å; L888-A892 WeakPolarHBondContact O-CB 3.37Å; L888-A892 PolarHBondContact O-N 2.92Å; L889-A892 PolarHBondContact O-N 3.22Å; A892-T896 WeakPolarHBondContact O-CB 3.47Å; A892-T896 PolarHBondContact O-N 2.95Å; A892-T896 PolarHBondContact O-OG1 3.44Å; A892-L957 HydrophobicContact CB-CD1 3.96Å; A892-L960 HydrophobicContact CB-CD1 3.4Å
893	V	91	Very high	85.5	Confident	10 Å²	10	30.9 Å²	30.9	6%	0.061	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-48.2	176.4	171	0	0	0	0	110.8	L889 L890 D891 E895 T896 K897 L957 Y961 D1098 F1099	L889-V893 HydrophobicContact CD1-CG2 4.02Å; L889-V893 HydrophobicContact CG-CG2 4.37Å; L889-V893 VanDerWaalsContact O-CG2 3.27Å; L889-V893 WeakPolarHBondContact O-CG2 3.3Å; L889-V893 PolarHBondContact O-N 3Å; L890-V893 PolarHBondContact O-N 2.97Å; D891-V893 VanDerWaalsContact C-N 3.34Å; D891-V893 PolarHBondContact O-N 2.87Å; V893-E895 VanDerWaalsContact C-N 3.34Å; V893-E895 PolarHBondContact O-N 3.17Å; V893-T896 PolarHBondContact O-N 3.19Å; V893-K897 HydrophobicContact CG1-CD 4.35Å; V893-K897 WeakPolarHBondContact O-CG 3.28Å; V893-K897 PolarHBondContact O-N 3.3Å; V893-L957 HydrophobicContact CG2-CD1 4.39Å; V893-Y961 HydrophobicContact CG2-CE2 4.23Å; V893-Y961 WeakPolarHBondContact CG2-OH 3.41Å; V893-D1098 HydrophobicContact CG1-CB 4.17Å; V893-F1099 HydrophobicContact CB-CZ 4.34Å; V893-F1099 HydrophobicContact CG1-CE2 4.41Å; V893-F1099 HydrophobicContact CG1-CZ 4.07Å; V893-F1099 HydrophobicContact CG2-CE2 4.14Å; V893-F1099 HydrophobicContact CG2-CZ 4.21Å
894	Q	88.3	Confident	85.6	Confident	99 Å²	99	31 Å²	31	46%	0.463	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-43.2	177.3	-73.4	179	-18.5	0	0	111.8	E808 L890 D891 K897 S898	E808-Q894 PolarHBondContact OE1-NE2 2.65Å; L890-Q894 WeakPolarHBondContact O-CG 3.46Å; L890-Q894 PolarHBondContact O-N 3.39Å; D891-Q894 PolarHBondContact O-N 2.83Å; Q894-K897 PolarHBondContact O-N 3.24Å; Q894-S898 PolarHBondContact O-N 2.87Å
895	E	90.5	Very high	85	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-44.7	176.4	-170.4	171.2	177.6	0	0	111.5	A814 K817 W818 F875 Y879 D891 V893 K897 S898 I899	A814-E895 HydrophobicContact CB-CG 4.2Å; K817-E895 IonicContact NZ-OE2 2.64Å; K817-E895 PolarHBondContact NZ-OE2 3.38Å; W818-E895 HydrophobicContact CZ2-CG 3.64Å; W818-E895 PolarHBondContact NE1-OE1 2.96Å; F875-E895 HydrophobicContact CD2-CG 4.14Å; F875-E895 HydrophobicContact CE2-CB 4.43Å; F875-E895 HydrophobicContact CE2-CG 4.5Å; Y879-E895 WeakPolarHBondContact CE2-OE2 3.36Å; Y879-E895 VanDerWaalsContact CZ-OE2 3.31Å; Y879-E895 PolarHBondContact OH-OE2 3.45Å; D891-E895 WeakPolarHBondContact O-CB 3.24Å; D891-E895 PolarHBondContact O-N 3.05Å; V893-E895 VanDerWaalsContact C-N 3.34Å; V893-E895 PolarHBondContact O-N 3.17Å; E895-K897 PolarHBondContact O-N 3.37Å; E895-S898 WeakPolarHBondContact O-CB 3.43Å; E895-S898 PolarHBondContact O-N 3.2Å; E895-I899 HydrophobicContact CG-CD1 4.34Å; E895-I899 WeakPolarHBondContact O-CG1 3.35Å; E895-I899 PolarHBondContact O-N 3.14Å
896	T	89.4	Confident	84.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-44.6	177.1	-55.5	0	0	0	0	111.4	F875 A892 V893 S898 I899 F900 I953 L957 F1099	F875-T896 VanDerWaalsContact CE2-OG1 3.31Å; F875-T896 WeakPolarHBondContact CE2-OG1 3.25Å; F875-T896 WeakPolarHBondContact CZ-OG1 3.44Å; A892-T896 WeakPolarHBondContact O-CB 3.47Å; A892-T896 PolarHBondContact O-N 2.95Å; A892-T896 PolarHBondContact O-OG1 3.44Å; V893-T896 PolarHBondContact O-N 3.19Å; T896-S898 VanDerWaalsContact C-N 3.34Å; T896-S898 PolarHBondContact O-N 3.36Å; T896-I899 PolarHBondContact O-N 3.27Å; T896-F900 HydrophobicContact CG2-CD1 4.24Å; T896-F900 HydrophobicContact CG2-CE1 3.78Å; T896-F900 HydrophobicContact CG2-CE2 4.13Å; T896-F900 HydrophobicContact CG2-CZ 3.73Å; T896-F900 WeakPolarHBondContact O-CD1 3.5Å; T896-F900 WeakPolarHBondContact O-CG 3.29Å; T896-F900 PolarHBondContact O-N 3.29Å; T896-I953 HydrophobicContact CG2-CD1 3.85Å; T896-L957 HydrophobicContact CG2-CD2 4.06Å; T896-F1099 HydrophobicContact CG2-CD1 4.35Å; T896-F1099 HydrophobicContact CG2-CE1 3.37Å; T896-F1099 HydrophobicContact CG2-CZ 3.65Å
897	K	85.6	Confident	83.1	Confident	104 Å²	104	28.4 Å²	28.4	45%	0.452	14%	0.14	S	C	.	.	H	α-helix	trans	-61	-41.7	175.7	-72.7	-176.4	179	-167.4	0	112	V893 Q894 E895 F900 L901 D1098 F1099	V893-K897 HydrophobicContact CG1-CD 4.35Å; V893-K897 WeakPolarHBondContact O-CG 3.28Å; V893-K897 PolarHBondContact O-N 3.3Å; Q894-K897 PolarHBondContact O-N 3.24Å; E895-K897 PolarHBondContact O-N 3.37Å; K897-F900 PolarHBondContact O-N 2.9Å; K897-L901 WeakPolarHBondContact O-CB 3.29Å; K897-L901 PolarHBondContact O-N 3.34Å; K897-D1098 WeakPolarHBondContact CE-O 3.03Å; K897-D1098 PolarHBondContact NZ-O 3.31Å; K897-F1099 HydrophobicContact CG-CE1 4.05Å
898	S	84.5	Confident	82.4	Confident	25 Å²	25	30.6 Å²	30.6	18%	0.175	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.5	-176.6	0	0	0	0	112	W818 Q894 E895 T896 F900 L901 R902	W818-S898 VanDerWaalsContact CH2-OG 3.3Å; W818-S898 WeakPolarHBondContact CH2-OG 3.3Å; Q894-S898 PolarHBondContact O-N 2.87Å; E895-S898 WeakPolarHBondContact O-CB 3.43Å; E895-S898 PolarHBondContact O-N 3.2Å; T896-S898 VanDerWaalsContact C-N 3.34Å; T896-S898 PolarHBondContact O-N 3.36Å; S898-F900 VanDerWaalsContact C-N 3.35Å; S898-F900 PolarHBondContact O-N 3.4Å; S898-L901 PolarHBondContact O-N 2.93Å; S898-R902 WeakPolarHBondContact O-CB 3.01Å; S898-R902 PolarHBondContact O-N 3.35Å; S898-R902 VanDerWaalsContact O-N 3.08Å; S898-R902 PolarHBondContact OG-NH1 3.18Å
899	I	82.3	Confident	81.2	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-47	176.2	-65.5	168.4	0	0	0	109.8	W818 F875 E895 T896 R902 F903 I949	W818-I899 HydrophobicContact CH2-CB 4.3Å; W818-I899 HydrophobicContact CH2-CG1 3.45Å; W818-I899 VanDerWaalsContact CH2-CG1 3.45Å; W818-I899 HydrophobicContact CZ2-CD1 3.97Å; W818-I899 HydrophobicContact CZ2-CG1 3.27Å; W818-I899 HydrophobicContact CZ3-CG1 4.5Å; F875-I899 HydrophobicContact CD2-CD1 4.15Å; E895-I899 HydrophobicContact CG-CD1 4.34Å; E895-I899 WeakPolarHBondContact O-CG1 3.35Å; E895-I899 PolarHBondContact O-N 3.14Å; T896-I899 PolarHBondContact O-N 3.27Å; I899-R902 PolarHBondContact O-N 3Å; I899-F903 WeakPolarHBondContact O-CB 3.43Å; I899-F903 PolarHBondContact O-N 2.71Å; I899-I949 HydrophobicContact CG2-CD1 3.71Å; I899-I949 HydrophobicContact CG2-CG2 3.74Å
900	F	80	Confident	79.7	Confident	31 Å²	31	36.2 Å²	36.2	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-47.7	-179.1	-73.9	5.9	0	0	0	111.8	T896 K897 S898 R902 Y904 I945 I949 L950 F1099	T896-F900 HydrophobicContact CG2-CD1 4.24Å; T896-F900 HydrophobicContact CG2-CE1 3.78Å; T896-F900 HydrophobicContact CG2-CE2 4.13Å; T896-F900 HydrophobicContact CG2-CZ 3.73Å; T896-F900 WeakPolarHBondContact O-CD1 3.5Å; T896-F900 WeakPolarHBondContact O-CG 3.29Å; T896-F900 PolarHBondContact O-N 3.29Å; K897-F900 PolarHBondContact O-N 2.9Å; S898-F900 VanDerWaalsContact C-N 3.35Å; S898-F900 PolarHBondContact O-N 3.4Å; F900-R902 PolarHBondContact O-N 3.35Å; F900-Y904 WeakPolarHBondContact O-CB 3.19Å; F900-Y904 PolarHBondContact O-N 2.77Å; F900-I945 HydrophobicContact CB-CD1 4.05Å; F900-I945 HydrophobicContact CD1-CD1 4.45Å; F900-I945 HydrophobicContact CD1-CG2 3.44Å; F900-I945 VanDerWaalsContact CD1-CG2 3.44Å; F900-I945 HydrophobicContact CD2-CG2 4.16Å; F900-I945 HydrophobicContact CE1-CG2 3.4Å; F900-I945 VanDerWaalsContact CE1-CG2 3.4Å; F900-I945 HydrophobicContact CE2-CG2 4.13Å; F900-I945 HydrophobicContact CG-CD1 4.29Å; F900-I945 HydrophobicContact CG-CG2 3.83Å; F900-I945 HydrophobicContact CZ-CG2 3.75Å; F900-I945 WeakPolarHBondContact O-CD1 3.48Å; F900-I949 HydrophobicContact CE1-CG2 4.45Å; F900-L950 HydrophobicContact CE1-CB 4.26Å; F900-L950 HydrophobicContact CZ-CB 3.93Å; F900-L950 HydrophobicContact CZ-CD1 3.93Å; F900-L950 HydrophobicContact CZ-CD2 4.06Å; F900-L950 HydrophobicContact CZ-CG 4.16Å; F900-F1099 HydrophobicContact CE2-CD1 4.04Å; F900-F1099 HydrophobicContact CE2-CE1 4.4Å
901	L	77.5	Confident	78.4	Confident	49 Å²	49	35.5 Å²	35.5	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-60.5	-46.8	-178.9	-172.5	65.2	0	0	0	111.9	K897 S898 Y904 K905 E917 M920	K897-L901 WeakPolarHBondContact O-CB 3.29Å; K897-L901 PolarHBondContact O-N 3.34Å; S898-L901 PolarHBondContact O-N 2.93Å; L901-Y904 WeakPolarHBondContact O-CB 3.46Å; L901-Y904 PolarHBondContact O-N 3.48Å; L901-K905 WeakPolarHBondContact O-CG 3.43Å; L901-K905 PolarHBondContact O-N 3.39Å; L901-K905 VanDerWaalsContact O-N 3.1Å; L901-E917 HydrophobicContact CD1-CG 3.93Å; L901-E917 WeakPolarHBondContact CD1-OE1 2.88Å; L901-M920 HydrophobicContact CD1-CE 3.67Å
902	R	77.6	Confident	77.3	Confident	10 Å²	10	40 Å²	40	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-74.8	-37.4	-177.5	-76.3	164.7	163.5	172.3	1.7	113	D815 T839 D840 W843 S898 I899 F900 Y904 K905 Y906	D815-R902 IonicContact OD1-CZ 3.13Å; D815-R902 IonicContact OD1-NH1 2.67Å; D815-R902 PolarHBondContact OD1-NH1 3.21Å; D815-R902 IonicContact OD1-NH2 3.87Å; D815-R902 PolarHBondContact OD1-NH2 2.91Å; D815-R902 IonicContact OD2-NH2 3.35Å; T839-R902 PolarHBondContact OG1-NH1 3.11Å; T839-R902 PolarHBondContact OG1-NH2 2.89Å; D840-R902 VanDerWaalsContact CG-NH2 3.31Å; D840-R902 IonicContact OD1-CZ 3.47Å; D840-R902 IonicContact OD1-NE 3.86Å; D840-R902 PolarHBondContact OD1-NE 2.79Å; D840-R902 IonicContact OD1-NH2 2.68Å; D840-R902 PolarHBondContact OD1-NH2 3.29Å; D840-R902 VanDerWaalsContact OD1-NH2 3.12Å; D840-R902 IonicContact OD2-NH2 3.51Å; D840-R902 PolarHBondContact OD2-NH2 3.41Å; W843-R902 HydrophobicContact CD2-CB 3.91Å; W843-R902 HydrophobicContact CG-CB 3.9Å; W843-R902 HydrophobicContact CG-CG 4.31Å; W843-R902 HydrophobicContact CZ2-CB 4.16Å; S898-R902 WeakPolarHBondContact O-CB 3.01Å; S898-R902 PolarHBondContact O-N 3.35Å; S898-R902 VanDerWaalsContact O-N 3.08Å; S898-R902 PolarHBondContact OG-NH1 3.18Å; I899-R902 PolarHBondContact O-N 3Å; F900-R902 PolarHBondContact O-N 3.35Å; R902-Y904 VanDerWaalsContact C-N 3.25Å; R902-Y904 PolarHBondContact O-N 3.12Å; R902-K905 WeakPolarHBondContact O-CB 3.4Å; R902-K905 PolarHBondContact O-N 2.99Å; R902-Y906 PolarHBondContact O-N 2.89Å
903	F	75.4	Confident	75.9	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-34.5	172	-167.4	-106.1	0	0	0	111.2	W843 H864 I899 Y906 V907 F944 I945 N948 I949	W843-F903 HydrophobicContact CH2-CB 4.43Å; W843-F903 HydrophobicContact CH2-CD2 4.01Å; W843-F903 HydrophobicContact CZ3-CD2 4.2Å; H864-F903 AromaticContact NE2-CE2 3.85Å; I899-F903 WeakPolarHBondContact O-CB 3.43Å; I899-F903 PolarHBondContact O-N 2.71Å; F903-Y906 HydrophobicContact CE2-CD1 4.39Å; F903-Y906 WeakPolarHBondContact O-CB 3.15Å; F903-Y906 PolarHBondContact O-N 3.35Å; F903-V907 HydrophobicContact CD1-CG2 4.02Å; F903-V907 HydrophobicContact CE1-CG2 3.84Å; F903-V907 HydrophobicContact CZ-CG2 4.31Å; F903-V907 VanDerWaalsContact O-CG2 3.31Å; F903-V907 WeakPolarHBondContact O-CG2 2.94Å; F903-V907 PolarHBondContact O-N 3.45Å; F903-F944 AromaticContact CE1-CD1 3.71Å; F903-F944 HydrophobicContact CE1-CD1 3.71Å; F903-F944 AromaticContact CE1-CE1 3.49Å; F903-F944 HydrophobicContact CE1-CE1 3.49Å; F903-F944 VanDerWaalsContact CE1-CE1 3.49Å; F903-F944 HydrophobicContact CZ-CD1 4.4Å; F903-F944 AromaticContact CZ-CE1 3.73Å; F903-F944 HydrophobicContact CZ-CE1 3.73Å; F903-I945 HydrophobicContact CD1-CD1 4.16Å; F903-I945 HydrophobicContact CD1-CG1 4.04Å; F903-N948 HydrophobicContact CE1-CB 4.48Å; F903-N948 HydrophobicContact CZ-CB 4.44Å; F903-I949 HydrophobicContact CB-CD1 3.86Å; F903-I949 HydrophobicContact CD1-CD1 3.8Å; F903-I949 HydrophobicContact CD2-CD1 3.58Å; F903-I949 HydrophobicContact CE1-CD1 4.16Å; F903-I949 HydrophobicContact CE2-CD1 3.99Å; F903-I949 HydrophobicContact CG-CD1 3.46Å; F903-I949 VanDerWaalsContact CG-CD1 3.46Å; F903-I949 HydrophobicContact CZ-CD1 4.26Å
904	Y	71.9	Confident	74.5	Confident	6 Å²	6	46.1 Å²	46.1	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-48.3	171.5	-173.9	-132	0	0	0	112.6	F900 L901 R902 Y906 V907 R908 L914 P915 M920 F941	F900-Y904 WeakPolarHBondContact O-CB 3.19Å; F900-Y904 PolarHBondContact O-N 2.77Å; L901-Y904 WeakPolarHBondContact O-CB 3.46Å; L901-Y904 PolarHBondContact O-N 3.48Å; R902-Y904 VanDerWaalsContact C-N 3.25Å; R902-Y904 PolarHBondContact O-N 3.12Å; Y904-Y906 PolarHBondContact O-N 3.49Å; Y904-V907 PolarHBondContact O-N 3.45Å; Y904-R908 HydrophobicContact CD1-CG 4.15Å; Y904-R908 HydrophobicContact CD2-CG 3.9Å; Y904-R908 VanDerWaalsContact CE1-CD 3.41Å; Y904-R908 HydrophobicContact CE1-CG 3.85Å; Y904-R908 HydrophobicContact CE2-CG 3.65Å; Y904-R908 HydrophobicContact CG-CG 4.23Å; Y904-R908 WeakPolarHBondContact O-CG 3.46Å; Y904-R908 PolarHBondContact O-N 3.29Å; Y904-L914 HydrophobicContact CE2-CB 4.36Å; Y904-L914 HydrophobicContact CE2-CD1 4.22Å; Y904-P915 WeakPolarHBondContact OH-CD 3.18Å; Y904-P915 PolarHBondContact OH-O 3.46Å; Y904-M920 HydrophobicContact CD1-CE 4.3Å; Y904-M920 HydrophobicContact CD1-CG 4.38Å; Y904-M920 HydrophobicContact CD1-SD 3.22Å; Y904-M920 WeakPolarHBondContact CD1-SD 2.95Å; Y904-M920 HydrophobicContact CD2-SD 4.47Å; Y904-M920 HydrophobicContact CE1-CB 4.03Å; Y904-M920 HydrophobicContact CE1-CG 4.02Å; Y904-M920 HydrophobicContact CE1-SD 3.45Å; Y904-M920 WeakPolarHBondContact CE1-SD 3.43Å; Y904-M920 HydrophobicContact CG-SD 3.76Å; Y904-F941 HydrophobicContact CD1-CE2 4.38Å; Y904-F941 HydrophobicContact CD1-CZ 4.47Å; Y904-F941 AromaticContact CD2-CD2 3.04Å; Y904-F941 HydrophobicContact CD2-CD2 3.04Å; Y904-F941 AromaticContact CD2-CE2 2.91Å; Y904-F941 HydrophobicContact CD2-CE2 2.91Å; Y904-F941 AromaticContact CD2-CG 3.95Å; Y904-F941 HydrophobicContact CD2-CG 3.95Å; Y904-F941 AromaticContact CD2-CZ 3.73Å; Y904-F941 HydrophobicContact CD2-CZ 3.73Å; Y904-F941 HydrophobicContact CE2-CB 4.35Å; Y904-F941 AromaticContact CE2-CD2 3.34Å; Y904-F941 HydrophobicContact CE2-CD2 3.34Å; Y904-F941 AromaticContact CE2-CE2 3.68Å; Y904-F941 HydrophobicContact CE2-CE2 3.68Å; Y904-F941 AromaticContact CE2-CG 3.85Å; Y904-F941 HydrophobicContact CE2-CG 3.85Å; Y904-F941 HydrophobicContact CE2-CZ 4.4Å; Y904-F941 AromaticContact CG-CD2 3.9Å; Y904-F941 HydrophobicContact CG-CD2 3.9Å; Y904-F941 AromaticContact CG-CE2 3.29Å; Y904-F941 HydrophobicContact CG-CE2 3.29Å; Y904-F941 AromaticContact CG-CZ 3.69Å; Y904-F941 HydrophobicContact CG-CZ 3.69Å
905	K	73.2	Confident	73.3	Confident	62 Å²	62	42 Å²	42	27%	0.27	22%	0.219	S	C	.	.	H	α-helix	trans	-52.5	-42.5	175.9	-70.9	176.7	-179.8	-174.6	0	111.1	L901 R902 I909 E917	L901-K905 WeakPolarHBondContact O-CG 3.43Å; L901-K905 PolarHBondContact O-N 3.39Å; L901-K905 VanDerWaalsContact O-N 3.1Å; R902-K905 WeakPolarHBondContact O-CB 3.4Å; R902-K905 PolarHBondContact O-N 2.99Å; K905-I909 PolarHBondContact O-N 3.28Å; K905-E917 VanDerWaalsContact CE-CD 3.45Å; K905-E917 WeakPolarHBondContact CE-OE2 3.49Å; K905-E917 IonicContact NZ-OE1 3.98Å; K905-E917 PolarHBondContact NZ-OE1 3.47Å; K905-E917 IonicContact NZ-OE2 3.51Å; K905-E917 PolarHBondContact NZ-OE2 3.42Å
906	Y	69.3	Low	72.1	Confident	14 Å²	14	44 Å²	44	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-51.2	174	176.7	-98.2	0	0	0	112.9	W843 A847 C850 H864 R902 F903 Y904 R908 I909 L910	W843-Y906 HydrophobicContact CE3-CD2 4.34Å; W843-Y906 HydrophobicContact CE3-CG 4.23Å; W843-Y906 HydrophobicContact CZ3-CD2 4.4Å; W843-Y906 HydrophobicContact CZ3-CG 4.05Å; A847-Y906 HydrophobicContact CB-CD2 3.78Å; A847-Y906 HydrophobicContact CB-CE2 4.43Å; C850-Y906 HydrophobicContact CB-CE2 4.34Å; C850-Y906 PolarHBondContact SG-OH 2.85Å; H864-Y906 AromaticContact CD2-CE1 3.52Å; H864-Y906 AromaticContact CD2-CZ 3.55Å; H864-Y906 PolarHBondContact CD2-OH 3.47Å; H864-Y906 VanDerWaalsContact CD2-OH 3.31Å; H864-Y906 AromaticContact NE2-CE1 3.55Å; R902-Y906 PolarHBondContact O-N 2.89Å; F903-Y906 HydrophobicContact CE2-CD1 4.39Å; F903-Y906 WeakPolarHBondContact O-CB 3.15Å; F903-Y906 PolarHBondContact O-N 3.35Å; Y904-Y906 PolarHBondContact O-N 3.49Å; Y906-R908 VanDerWaalsContact C-N 3.33Å; Y906-R908 PolarHBondContact O-N 3.1Å; Y906-I909 PolarHBondContact O-N 3.42Å; Y906-L910 HydrophobicContact CD1-CD1 4.32Å; Y906-L910 HydrophobicContact CE1-CD1 3.67Å; Y906-L910 PolarHBondContact O-N 2.99Å
907	V	67.7	Low	70.7	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-38.5	179.9	174.4	0	0	0	0	111.8	F903 Y904 I909 L910 F911 L914 F944	F903-V907 HydrophobicContact CD1-CG2 4.02Å; F903-V907 HydrophobicContact CE1-CG2 3.84Å; F903-V907 HydrophobicContact CZ-CG2 4.31Å; F903-V907 VanDerWaalsContact O-CG2 3.31Å; F903-V907 WeakPolarHBondContact O-CG2 2.94Å; F903-V907 PolarHBondContact O-N 3.45Å; Y904-V907 PolarHBondContact O-N 3.45Å; V907-I909 VanDerWaalsContact C-N 3.26Å; V907-I909 PolarHBondContact O-N 3.5Å; V907-L910 WeakPolarHBondContact O-CB 3.17Å; V907-L910 PolarHBondContact O-N 3.18Å; V907-L910 VanDerWaalsContact O-N 3.1Å; V907-F911 HydrophobicContact CG1-CD2 3.84Å; V907-F911 HydrophobicContact CG1-CE2 4.39Å; V907-F911 WeakPolarHBondContact O-CD2 3.21Å; V907-F911 PolarHBondContact O-N 3.33Å; V907-L914 HydrophobicContact CG1-CD1 3.76Å; V907-F944 HydrophobicContact CG1-CD1 4.44Å; V907-F944 HydrophobicContact CG2-CD1 3.82Å; V907-F944 HydrophobicContact CG2-CE1 3.55Å
908	R	71	Confident	69.4	Low	68 Å²	68	45.9 Å²	45.9	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-30.9	176.7	-74.5	-161.7	69.5	-147.7	7.7	113.8	Y904 Y906 L910 F911 P912 L914 P915 P916	Y904-R908 HydrophobicContact CD1-CG 4.15Å; Y904-R908 HydrophobicContact CD2-CG 3.9Å; Y904-R908 VanDerWaalsContact CE1-CD 3.41Å; Y904-R908 HydrophobicContact CE1-CG 3.85Å; Y904-R908 HydrophobicContact CE2-CG 3.65Å; Y904-R908 HydrophobicContact CG-CG 4.23Å; Y904-R908 WeakPolarHBondContact O-CG 3.46Å; Y904-R908 PolarHBondContact O-N 3.29Å; Y906-R908 VanDerWaalsContact C-N 3.33Å; Y906-R908 PolarHBondContact O-N 3.1Å; R908-L910 VanDerWaalsContact C-N 3.32Å; R908-F911 CarbonylContact O-C 3.53Å; R908-F911 PolarHBondContact O-N 2.9Å; R908-F911 VanDerWaalsContact O-O 3.13Å; R908-P912 WeakPolarHBondContact O-CA 3.34Å; R908-L914 HydrophobicContact CG-CB 3.91Å; R908-L914 HydrophobicContact CG-CD1 4.43Å; R908-L914 VanDerWaalsContact CZ-O 3.28Å; R908-L914 PolarHBondContact NE-O 3.38Å; R908-L914 PolarHBondContact NH2-O 2.89Å; R908-P915 WeakPolarHBondContact CD-O 3.14Å; R908-P915 PolarHBondContact NE-O 3.31Å; R908-P916 VanDerWaalsContact CZ-CA 3.49Å
909	I	64.7	Low	67.8	Low	68 Å²	68	48.5 Å²	48.5	35%	0.349	26%	0.26	S	S	.	.	H	α-helix	trans	-72.4	-32.8	177	-70.5	167.5	0	0	0	110.6	A847 K905 Y906 V907	A847-I909 HydrophobicContact CB-CB 3.87Å; A847-I909 HydrophobicContact CB-CD1 3.17Å; A847-I909 HydrophobicContact CB-CG1 4.05Å; A847-I909 HydrophobicContact CB-CG2 3.96Å; A847-I909 VanDerWaalsContact O-CG2 3.27Å; A847-I909 WeakPolarHBondContact O-CG2 3.29Å; K905-I909 PolarHBondContact O-N 3.28Å; Y906-I909 PolarHBondContact O-N 3.42Å; V907-I909 VanDerWaalsContact C-N 3.26Å; V907-I909 PolarHBondContact O-N 3.5Å
910	L	60.4	Low	66.2	Low	64 Å²	64	49.8 Å²	49.8	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-72.7	-33.3	171.2	-60.2	176.1	0	0	0	112.2	C850 Y906 V907 R908	C850-L910 HydrophobicContact CB-CD2 3.85Å; Y906-L910 HydrophobicContact CD1-CD1 4.32Å; Y906-L910 HydrophobicContact CE1-CD1 3.67Å; Y906-L910 PolarHBondContact O-N 2.99Å; V907-L910 WeakPolarHBondContact O-CB 3.17Å; V907-L910 PolarHBondContact O-N 3.18Å; V907-L910 VanDerWaalsContact O-N 3.1Å; R908-L910 VanDerWaalsContact C-N 3.32Å
911	F	62.3	Low	64.6	Low	113 Å²	113	53.3 Å²	53.3	50%	0.496	29%	0.287	S	S	.	.			trans	-128.6	78.6	-178.9	-55.4	-80.7	0	0	0	111	V907 R908 S913 L914	V907-F911 HydrophobicContact CG1-CD2 3.84Å; V907-F911 HydrophobicContact CG1-CE2 4.39Å; V907-F911 WeakPolarHBondContact O-CD2 3.21Å; V907-F911 PolarHBondContact O-N 3.33Å; R908-F911 CarbonylContact O-C 3.53Å; R908-F911 PolarHBondContact O-N 2.9Å; R908-F911 VanDerWaalsContact O-O 3.13Å; F911-S913 PolarHBondContact O-N 3.14Å; F911-L914 HydrophobicContact CB-CD1 3.87Å; F911-L914 HydrophobicContact CB-CG 4.16Å; F911-L914 WeakPolarHBondContact O-CB 3.37Å; F911-L914 PolarHBondContact O-N 3.27Å
912	P	68	Low	62.8	Low	101 Å²	101	55.3 Å²	55.3	66%	0.656	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.2	-173.3	-25.7	35.1	0	0	0	115.1	R908 L914	R908-P912 WeakPolarHBondContact O-CA 3.34Å; P912-L914 PolarHBondContact O-N 3.37Å
913	S	62.8	Low	60.8	Low	116 Å²	116	55.3 Å²	55.3	81%	0.811	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.5	176.1	51.2	0	0	0	0	114.1	F911	F911-S913 PolarHBondContact O-N 3.14Å
914	L	61.9	Low	58.9	Low	21 Å²	21	56.1 Å²	56.1	11%	0.11	30%	0.304	C	S	.	.	S	Bend	trans	-73.8	146	176.8	-73.3	171.2	0	0	0	112	Y904 V907 R908 F911 P912	Y904-L914 HydrophobicContact CE2-CB 4.36Å; Y904-L914 HydrophobicContact CE2-CD1 4.22Å; V907-L914 HydrophobicContact CG1-CD1 3.76Å; R908-L914 HydrophobicContact CG-CB 3.91Å; R908-L914 HydrophobicContact CG-CD1 4.43Å; R908-L914 VanDerWaalsContact CZ-O 3.28Å; R908-L914 PolarHBondContact NE-O 3.38Å; R908-L914 PolarHBondContact NH2-O 2.89Å; F911-L914 HydrophobicContact CB-CD1 3.87Å; F911-L914 HydrophobicContact CB-CG 4.16Å; F911-L914 WeakPolarHBondContact O-CB 3.37Å; F911-L914 PolarHBondContact O-N 3.27Å; P912-L914 PolarHBondContact O-N 3.37Å
915	P	62.6	Low	57.2	Low	14 Å²	14	57 Å²	57	9%	0.091	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.2	147.2	-174.6	-24.2	31.3	0	0	0	115.8	Y904 R908 E919 L923 S937	Y904-P915 WeakPolarHBondContact OH-CD 3.18Å; Y904-P915 PolarHBondContact OH-O 3.46Å; R908-P915 WeakPolarHBondContact CD-O 3.14Å; R908-P915 PolarHBondContact NE-O 3.31Å; P915-E919 HydrophobicContact CB-CB 4.14Å; P915-L923 HydrophobicContact CB-CD1 3.37Å; P915-L923 HydrophobicContact CB-CD2 4.28Å; P915-L923 HydrophobicContact CB-CG 4.46Å; P915-L923 HydrophobicContact CG-CD1 3.65Å; P915-L923 HydrophobicContact CG-CD2 3.7Å; P915-L923 HydrophobicContact CG-CG 4.35Å; P915-S937 WeakPolarHBondContact CG-OG 3.42Å
916	P	65.4	Low	55.2	Low	44 Å²	44	59.4 Å²	59.4	29%	0.286	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-48.1	156.1	169.7	-22.9	29.9	0	0	0	115.1	R908 E919 M920	R908-P916 VanDerWaalsContact CZ-CA 3.49Å; P916-E919 HydrophobicContact CB-CB 4.07Å; P916-E919 WeakPolarHBondContact CD-OE2 3.45Å; P916-E919 HydrophobicContact CG-CB 4.29Å; P916-E919 HydrophobicContact CG-CG 4.46Å; P916-E919 CarbonylContact O-C 3.55Å; P916-E919 WeakPolarHBondContact O-CA 3.46Å; P916-E919 VanDerWaalsContact O-CB 3.3Å; P916-E919 WeakPolarHBondContact O-CB 3.4Å; P916-E919 PolarHBondContact O-N 2.98Å; P916-E919 VanDerWaalsContact O-N 3.14Å; P916-M920 PolarHBondContact O-N 3.02Å
917	E	60.1	Low	53.5	Low	66 Å²	66	63.5 Å²	63.5	31%	0.308	35%	0.345	S	S	.	.	S	Bend	trans	-64.4	-37.6	175.3	-179.7	-178.8	-178.6	0	0	112.7	L901 K905 E919 M920 N921	L901-E917 HydrophobicContact CD1-CG 3.93Å; L901-E917 WeakPolarHBondContact CD1-OE1 2.88Å; K905-E917 VanDerWaalsContact CE-CD 3.45Å; K905-E917 WeakPolarHBondContact CE-OE2 3.49Å; K905-E917 IonicContact NZ-OE1 3.98Å; K905-E917 PolarHBondContact NZ-OE1 3.47Å; K905-E917 IonicContact NZ-OE2 3.51Å; K905-E917 PolarHBondContact NZ-OE2 3.42Å; E917-E919 PolarHBondContact O-N 3.35Å; E917-M920 VanDerWaalsContact C-N 3.34Å; E917-M920 WeakPolarHBondContact O-CA 3.31Å; E917-M920 WeakPolarHBondContact O-CB 3.1Å; E917-M920 PolarHBondContact O-N 2.91Å; E917-N921 PolarHBondContact O-N 2.94Å; E917-N921 VanDerWaalsContact O-N 3.14Å
918	S	58.8	Low	51.8	Low	78 Å²	78	68 Å²	68	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-41.4	171.7	52.6	0	0	0	0	110.8	M920 N922	S918-M920 VanDerWaalsContact C-N 3.31Å; S918-N922 WeakPolarHBondContact O-CB 3.33Å; S918-N922 VanDerWaalsContact O-CG 3.26Å; S918-N922 PolarHBondContact O-N 3.12Å; S918-N922 VanDerWaalsContact O-N 3.09Å
919	E	51.4	Low	50.3	Low	80 Å²	80	72.7 Å²	72.7	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-75.6	-9.5	170.5	-88.8	178.8	-129.1	0	0	112.3	P915 P916 E917 N922 L923	P915-E919 HydrophobicContact CB-CB 4.14Å; P916-E919 HydrophobicContact CB-CB 4.07Å; P916-E919 WeakPolarHBondContact CD-OE2 3.45Å; P916-E919 HydrophobicContact CG-CB 4.29Å; P916-E919 HydrophobicContact CG-CG 4.46Å; P916-E919 CarbonylContact O-C 3.55Å; P916-E919 WeakPolarHBondContact O-CA 3.46Å; P916-E919 VanDerWaalsContact O-CB 3.3Å; P916-E919 WeakPolarHBondContact O-CB 3.4Å; P916-E919 PolarHBondContact O-N 2.98Å; P916-E919 VanDerWaalsContact O-N 3.14Å; E917-E919 PolarHBondContact O-N 3.35Å; E919-N922 CarbonylContact O-C 3.54Å; E919-L923 HydrophobicContact CB-CD1 3.64Å; E919-L923 HydrophobicContact CG-CD1 4.27Å; E919-L923 WeakPolarHBondContact O-CA 3.48Å; E919-L923 WeakPolarHBondContact O-CB 2.8Å; E919-L923 WeakPolarHBondContact O-CD1 3.32Å; E919-L923 WeakPolarHBondContact O-CG 3.46Å; E919-L923 PolarHBondContact O-N 3.12Å
920	M	48.4	Very low	48.9	Very low	30 Å²	30	74.1 Å²	74.1	15%	0.148	41%	0.405	C	S	.	.	H	α-helix	trans	-85.2	-34.5	173.9	-164.5	-173.8	72.5	0	0	110.4	L901 Y904 P916 E917 S918 N922 V924 F941	L901-M920 HydrophobicContact CD1-CE 3.67Å; Y904-M920 HydrophobicContact CD1-CE 4.3Å; Y904-M920 HydrophobicContact CD1-CG 4.38Å; Y904-M920 HydrophobicContact CD1-SD 3.22Å; Y904-M920 WeakPolarHBondContact CD1-SD 2.95Å; Y904-M920 HydrophobicContact CD2-SD 4.47Å; Y904-M920 HydrophobicContact CE1-CB 4.03Å; Y904-M920 HydrophobicContact CE1-CG 4.02Å; Y904-M920 HydrophobicContact CE1-SD 3.45Å; Y904-M920 WeakPolarHBondContact CE1-SD 3.43Å; Y904-M920 HydrophobicContact CG-SD 3.76Å; P916-M920 PolarHBondContact O-N 3.02Å; E917-M920 VanDerWaalsContact C-N 3.34Å; E917-M920 WeakPolarHBondContact O-CA 3.31Å; E917-M920 WeakPolarHBondContact O-CB 3.1Å; E917-M920 PolarHBondContact O-N 2.91Å; S918-M920 VanDerWaalsContact C-N 3.31Å; M920-N922 VanDerWaalsContact C-N 3.3Å; M920-V924 VanDerWaalsContact O-CG2 3.25Å; M920-V924 WeakPolarHBondContact O-CG2 3.45Å; M920-F941 HydrophobicContact CG-CE1 4.48Å; M920-F941 HydrophobicContact SD-CD1 4.29Å; M920-F941 HydrophobicContact SD-CE1 3.54Å; M920-F941 VanDerWaalsContact SD-CE1 3.54Å; M920-F941 HydrophobicContact SD-CE2 4.48Å; M920-F941 HydrophobicContact SD-CZ 3.63Å
921	N	45.9	Very low	47.5	Very low	104 Å²	104	74.1 Å²	74.1	56%	0.556	41%	0.408	S	S	*	.	H	α-helix	trans	-68.8	-33.8	166.9	-65.6	-22.4	0	0	0	110.5	E917	E917-N921 PolarHBondContact O-N 2.94Å; E917-N921 VanDerWaalsContact O-N 3.14Å
922	N	39.7	Very low	46.1	Very low	92 Å²	92	72.9 Å²	72.9	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-96.8	-16.2	-179.6	-63.5	-1.9	0	0	0	115.9	S918 E919 M920 V924 S925 E926	S918-N922 WeakPolarHBondContact O-CB 3.33Å; S918-N922 VanDerWaalsContact O-CG 3.26Å; S918-N922 PolarHBondContact O-N 3.12Å; S918-N922 VanDerWaalsContact O-N 3.09Å; E919-N922 CarbonylContact O-C 3.54Å; M920-N922 VanDerWaalsContact C-N 3.3Å; N922-V924 PolarHBondContact O-N 3.34Å; N922-V924 VanDerWaalsContact O-N 3.11Å; N922-S925 VanDerWaalsContact C-OG 3.26Å; N922-S925 WeakPolarHBondContact CA-OG 3.31Å; N922-S925 WeakPolarHBondContact CB-OG 3.15Å; N922-S925 CarbonylContact O-C 3.53Å; N922-S925 WeakPolarHBondContact O-CA 3.27Å; N922-S925 PolarHBondContact O-N 2.92Å; N922-S925 PolarHBondContact O-OG 3.17Å; N922-E926 PolarHBondContact O-N 3.21Å
923	L	36.8	Very low	44.5	Very low	9 Å²	9	78.7 Å²	78.7	5%	0.047	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.5	173.7	-117	86.9	0	0	0	110.1	P915 E919 L934 S937 L938	P915-L923 HydrophobicContact CB-CD1 3.37Å; P915-L923 HydrophobicContact CB-CD2 4.28Å; P915-L923 HydrophobicContact CB-CG 4.46Å; P915-L923 HydrophobicContact CG-CD1 3.65Å; P915-L923 HydrophobicContact CG-CD2 3.7Å; P915-L923 HydrophobicContact CG-CG 4.35Å; E919-L923 HydrophobicContact CB-CD1 3.64Å; E919-L923 HydrophobicContact CG-CD1 4.27Å; E919-L923 WeakPolarHBondContact O-CA 3.48Å; E919-L923 WeakPolarHBondContact O-CB 2.8Å; E919-L923 WeakPolarHBondContact O-CD1 3.32Å; E919-L923 WeakPolarHBondContact O-CG 3.46Å; E919-L923 PolarHBondContact O-N 3.12Å; L923-L934 HydrophobicContact CD1-CD2 3.42Å; L923-L934 VanDerWaalsContact CD1-CD2 3.42Å; L923-L934 HydrophobicContact CD2-CB 4.42Å; L923-L934 HydrophobicContact CD2-CD2 3.87Å; L923-L934 HydrophobicContact CG-CD2 3.43Å; L923-L934 VanDerWaalsContact CG-CD2 3.43Å; L923-S937 WeakPolarHBondContact CD2-OG 3.47Å; L923-L938 HydrophobicContact CB-CD1 3.94Å; L923-L938 HydrophobicContact CD2-CB 4.45Å; L923-L938 HydrophobicContact CD2-CD1 4.04Å
924	V	35.6	Very low	43.2	Very low	21 Å²	21	74.9 Å²	74.9	13%	0.127	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-25.8	175.4	-179.9	0	0	0	0	111.5	M920 N922 L938 P1101 S1102	M920-V924 VanDerWaalsContact O-CG2 3.25Å; M920-V924 WeakPolarHBondContact O-CG2 3.45Å; N922-V924 PolarHBondContact O-N 3.34Å; N922-V924 VanDerWaalsContact O-N 3.11Å; V924-L938 HydrophobicContact CG2-CD1 4.09Å; V924-P1101 HydrophobicContact CB-CB 3.94Å; V924-P1101 HydrophobicContact CG1-CB 3Å; V924-P1101 HydrophobicContact CG1-CG 4.44Å; V924-P1101 HydrophobicContact CG2-CB 3.7Å; V924-S1102 WeakPolarHBondContact CG1-OG 3.45Å
925	S	35	Very low	42.1	Very low	24 Å²	24	76.8 Å²	76.8	17%	0.168	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-41.3	167.6	52.4	0	0	0	0	111.9	N922 I927 E1105	N922-S925 VanDerWaalsContact C-OG 3.26Å; N922-S925 WeakPolarHBondContact CA-OG 3.31Å; N922-S925 WeakPolarHBondContact CB-OG 3.15Å; N922-S925 CarbonylContact O-C 3.53Å; N922-S925 WeakPolarHBondContact O-CA 3.27Å; N922-S925 PolarHBondContact O-N 2.92Å; N922-S925 PolarHBondContact O-OG 3.17Å; S925-I927 VanDerWaalsContact C-N 3.3Å; S925-I927 PolarHBondContact O-N 3.07Å; S925-E1105 WeakPolarHBondContact CB-OE1 3.46Å; S925-E1105 VanDerWaalsContact O-OE2 3.11Å
926	E	31.9	Very low	40.8	Very low	114 Å²	114	84 Å²	84	53%	0.533	43%	0.431	S	S	.	.			trans	-84.7	60.4	-178.8	-75.3	-175.6	159	0	0	113.3	N922 D928	N922-E926 PolarHBondContact O-N 3.21Å; E926-D928 PolarHBondContact O-N 3.43Å
927	I	32.6	Very low	39.7	Very low	99 Å²	99	82.9 Å²	82.9	51%	0.508	42%	0.424	S	S	.	.			trans	-87.8	70.1	154	-52.8	177.4	0	0	0	107	S925	S925-I927 VanDerWaalsContact C-N 3.3Å; S925-I927 PolarHBondContact O-N 3.07Å
928	D	32.8	Very low	38.9	Very low	102 Å²	102	81.1 Å²	81.1	55%	0.545	42%	0.417	S	S	.	.			trans	-84.9	115.4	156.3	-161.8	11.9	0	0	0	106.2	E926 T930 T931	E926-D928 PolarHBondContact O-N 3.43Å; D928-T930 VanDerWaalsContact CG-OG1 3.23Å; D928-T930 PolarHBondContact O-N 2.84Å; D928-T930 PolarHBondContact OD2-OG1 3.2Å; D928-T931 PolarHBondContact O-N 3.45Å
929	H	38.8	Very low	38.4	Very low	167 Å²	167	81.4 Å²	81.4	77%	0.773	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-0.1	-178.1	-71.5	-73.9	0	0	0	113.7
930	T	34.9	Very low	38.1	Very low	97 Å²	97	81.9 Å²	81.9	60%	0.595	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.4	179.3	62.9	0	0	0	0	113.9	D928 P932	D928-T930 VanDerWaalsContact CG-OG1 3.23Å; D928-T930 PolarHBondContact O-N 2.84Å; D928-T930 PolarHBondContact OD2-OG1 3.2Å; T930-P932 WeakPolarHBondContact O-CD 3.22Å
931	T	32.5	Very low	38.3	Very low	65 Å²	65	81.8 Å²	81.8	40%	0.399	42%	0.417	S	S	.	.			trans	-120.8	90.6	-176.9	51.3	0	0	0	0	114.1	D928 R933 L934	D928-T931 PolarHBondContact O-N 3.45Å; T931-R933 PolarHBondContact O-N 2.84Å; T931-L934 PolarHBondContact O-N 2.85Å; T931-L934 WeakPolarHBondContact OG1-CD1 3.2Å
932	P	32.7	Very low	38.6	Very low	86 Å²	86	77.6 Å²	77.6	56%	0.558	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-13.8	-178.7	21.3	-31	0	0	0	115	T930 S935	T930-P932 WeakPolarHBondContact O-CD 3.22Å; P932-S935 PolarHBondContact O-OG 2.89Å
933	R	34.2	Very low	39.5	Very low	224 Å²	224	77.4 Å²	77.4	85%	0.845	40%	0.401	S	S	*	.	H	α-helix	trans	-69.3	-32.9	179.1	-92	-173.5	171.4	-175.7	-1.6	113.8	T931	T931-R933 PolarHBondContact O-N 2.84Å
934	L	35.7	Very low	40.6	Very low	35 Å²	35	81 Å²	81	18%	0.183	42%	0.417	C	S	.	.	H	α-helix	trans	-79	-39.8	-174.6	-76.4	143.3	0	0	0	111.4	L923 T931 W936 S937 L938	L923-L934 HydrophobicContact CD1-CD2 3.42Å; L923-L934 VanDerWaalsContact CD1-CD2 3.42Å; L923-L934 HydrophobicContact CD2-CB 4.42Å; L923-L934 HydrophobicContact CD2-CD2 3.87Å; L923-L934 HydrophobicContact CG-CD2 3.43Å; L923-L934 VanDerWaalsContact CG-CD2 3.43Å; T931-L934 PolarHBondContact O-N 2.85Å; T931-L934 WeakPolarHBondContact OG1-CD1 3.2Å; L934-W936 PolarHBondContact O-N 3.46Å; L934-S937 PolarHBondContact O-N 3.02Å; L934-S937 PolarHBondContact O-OG 3.48Å; L934-L938 PolarHBondContact O-N 2.86Å
935	S	38.9	Very low	41.9	Very low	62 Å²	62	80.1 Å²	80.1	43%	0.434	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-42.9	-179.4	75.7	0	0	0	0	113	P932 S937 L938 E939	P932-S935 PolarHBondContact O-OG 2.89Å; S935-S937 VanDerWaalsContact C-N 3.32Å; S935-S937 PolarHBondContact O-N 2.87Å; S935-L938 PolarHBondContact O-N 2.93Å; S935-E939 WeakPolarHBondContact O-CG 3.14Å; S935-E939 PolarHBondContact O-N 3.39Å
936	W	34	Very low	43.1	Very low	165 Å²	165	79.3 Å²	79.3	63%	0.625	41%	0.406	S	S	*	.	H	α-helix	trans	-64.4	-35.1	-179.8	-69.2	-2.3	0	0	0	113	L934 E939 T940	L934-W936 PolarHBondContact O-N 3.46Å; W936-E939 PolarHBondContact O-N 2.82Å; W936-T940 WeakPolarHBondContact O-CB 3.47Å; W936-T940 PolarHBondContact O-N 3.01Å; W936-T940 PolarHBondContact O-OG1 3.19Å
937	S	42.2	Very low	44.6	Very low	20 Å²	20	75.5 Å²	75.5	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-69.5	-37.6	-179.7	73.9	0	0	0	0	112	P915 L923 L934 S935 F941	P915-S937 WeakPolarHBondContact CG-OG 3.42Å; L923-S937 WeakPolarHBondContact CD2-OG 3.47Å; L934-S937 PolarHBondContact O-N 3.02Å; L934-S937 PolarHBondContact O-OG 3.48Å; S935-S937 VanDerWaalsContact C-N 3.32Å; S935-S937 PolarHBondContact O-N 2.87Å; S937-F941 VanDerWaalsContact O-CB 3.3Å; S937-F941 WeakPolarHBondContact O-CB 3.5Å; S937-F941 PolarHBondContact O-N 2.77Å
938	L	44.1	Very low	46.3	Very low	30 Å²	30	73 Å²	73	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-70.6	-39.9	175.6	-152	91.7	0	0	0	111.6	L923 V924 L934 S935 F941 S942 I1039 P1101	L923-L938 HydrophobicContact CB-CD1 3.94Å; L923-L938 HydrophobicContact CD2-CB 4.45Å; L923-L938 HydrophobicContact CD2-CD1 4.04Å; V924-L938 HydrophobicContact CG2-CD1 4.09Å; L934-L938 PolarHBondContact O-N 2.86Å; S935-L938 PolarHBondContact O-N 2.93Å; L938-F941 PolarHBondContact O-N 3.28Å; L938-S942 WeakPolarHBondContact O-CB 3.41Å; L938-S942 PolarHBondContact O-N 3.4Å; L938-I1039 HydrophobicContact CD2-CD1 4.22Å; L938-P1101 HydrophobicContact CD2-CG 4.15Å
939	E	47.6	Very low	48.5	Very low	84 Å²	84	68.4 Å²	68.4	39%	0.393	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-43.7	174.1	-73.9	-169.3	150.1	0	0	111.6	S935 W936 S943 K1043	S935-E939 WeakPolarHBondContact O-CG 3.14Å; S935-E939 PolarHBondContact O-N 3.39Å; W936-E939 PolarHBondContact O-N 2.82Å; E939-S943 WeakPolarHBondContact O-CB 3.37Å; E939-S943 PolarHBondContact O-N 2.64Å; E939-K1043 IonicContact OE1-NZ 2.71Å; E939-K1043 PolarHBondContact OE1-NZ 2.95Å
940	T	46.7	Very low	50.6	Low	90 Å²	90	60.5 Å²	60.5	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-64.3	-45.5	177.6	-53.5	0	0	0	0	110.8	W936 F944	W936-T940 WeakPolarHBondContact O-CB 3.47Å; W936-T940 PolarHBondContact O-N 3.01Å; W936-T940 PolarHBondContact O-OG1 3.19Å; T940-F944 VanDerWaalsContact O-CB 3.28Å; T940-F944 WeakPolarHBondContact O-CB 3.42Å; T940-F944 PolarHBondContact O-N 3.15Å
941	F	51.2	Low	53	Low	28 Å²	28	61.2 Å²	61.2	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-51.2	177.7	171.6	-116.1	0	0	0	112.2	Y904 M920 S937 L938 F944 I945	Y904-F941 HydrophobicContact CD1-CE2 4.38Å; Y904-F941 HydrophobicContact CD1-CZ 4.47Å; Y904-F941 AromaticContact CD2-CD2 3.04Å; Y904-F941 HydrophobicContact CD2-CD2 3.04Å; Y904-F941 AromaticContact CD2-CE2 2.91Å; Y904-F941 HydrophobicContact CD2-CE2 2.91Å; Y904-F941 AromaticContact CD2-CG 3.95Å; Y904-F941 HydrophobicContact CD2-CG 3.95Å; Y904-F941 AromaticContact CD2-CZ 3.73Å; Y904-F941 HydrophobicContact CD2-CZ 3.73Å; Y904-F941 HydrophobicContact CE2-CB 4.35Å; Y904-F941 AromaticContact CE2-CD2 3.34Å; Y904-F941 HydrophobicContact CE2-CD2 3.34Å; Y904-F941 AromaticContact CE2-CE2 3.68Å; Y904-F941 HydrophobicContact CE2-CE2 3.68Å; Y904-F941 AromaticContact CE2-CG 3.85Å; Y904-F941 HydrophobicContact CE2-CG 3.85Å; Y904-F941 HydrophobicContact CE2-CZ 4.4Å; Y904-F941 AromaticContact CG-CD2 3.9Å; Y904-F941 HydrophobicContact CG-CD2 3.9Å; Y904-F941 AromaticContact CG-CE2 3.29Å; Y904-F941 HydrophobicContact CG-CE2 3.29Å; Y904-F941 AromaticContact CG-CZ 3.69Å; Y904-F941 HydrophobicContact CG-CZ 3.69Å; M920-F941 HydrophobicContact CG-CE1 4.48Å; M920-F941 HydrophobicContact SD-CD1 4.29Å; M920-F941 HydrophobicContact SD-CE1 3.54Å; M920-F941 VanDerWaalsContact SD-CE1 3.54Å; M920-F941 HydrophobicContact SD-CE2 4.48Å; M920-F941 HydrophobicContact SD-CZ 3.63Å; S937-F941 VanDerWaalsContact O-CB 3.3Å; S937-F941 WeakPolarHBondContact O-CB 3.5Å; S937-F941 PolarHBondContact O-N 2.77Å; L938-F941 PolarHBondContact O-N 3.28Å; F941-F944 PolarHBondContact O-N 3.07Å; F941-I945 HydrophobicContact CD2-CD1 4.2Å; F941-I945 HydrophobicContact CD2-CG1 4.02Å; F941-I945 HydrophobicContact CE1-CD1 4.18Å; F941-I945 HydrophobicContact CE2-CD1 3.17Å; F941-I945 HydrophobicContact CE2-CG1 3.46Å; F941-I945 VanDerWaalsContact CE2-CG1 3.46Å; F941-I945 HydrophobicContact CZ-CD1 3.19Å; F941-I945 HydrophobicContact CZ-CG1 3.84Å; F941-I945 PolarHBondContact O-N 2.84Å
942	S	53.3	Low	55.6	Low	16 Å²	16	60.5 Å²	60.5	11%	0.112	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-44.5	-178.9	-176.7	0	0	0	0	111.5	L938 F944 I945 C946 I1039	L938-S942 WeakPolarHBondContact O-CB 3.41Å; L938-S942 PolarHBondContact O-N 3.4Å; S942-F944 VanDerWaalsContact C-N 3.25Å; S942-F944 PolarHBondContact O-N 3.47Å; S942-I945 PolarHBondContact O-N 3.43Å; S942-C946 WeakPolarHBondContact O-CA 3.31Å; S942-C946 WeakPolarHBondContact O-CB 3.47Å; S942-C946 PolarHBondContact O-N 3.47Å; S942-C946 PolarHBondContact O-SG 3.44Å; S942-I1039 WeakPolarHBondContact OG-CD1 3.35Å; S942-I1039 WeakPolarHBondContact OG-CG1 3.12Å
943	S	58.8	Low	58.4	Low	87 Å²	87	56.4 Å²	56.4	61%	0.608	29%	0.291	S	S	*	.	H	α-helix	trans	-57.4	-41.6	175	180	0	0	0	0	111.2	E939 G947	E939-S943 WeakPolarHBondContact O-CB 3.37Å; E939-S943 PolarHBondContact O-N 2.64Å; S943-G947 PolarHBondContact O-N 3.4Å
944	F	58.3	Low	61.1	Low	84 Å²	84	47.1 Å²	47.1	37%	0.368	26%	0.256	S	S	.	.	H	α-helix	trans	-69.5	-46.3	179.8	-165.6	-97.5	0	0	0	113.2	F903 V907 T940 F941 S942 N948	F903-F944 AromaticContact CE1-CD1 3.71Å; F903-F944 HydrophobicContact CE1-CD1 3.71Å; F903-F944 AromaticContact CE1-CE1 3.49Å; F903-F944 HydrophobicContact CE1-CE1 3.49Å; F903-F944 VanDerWaalsContact CE1-CE1 3.49Å; F903-F944 HydrophobicContact CZ-CD1 4.4Å; F903-F944 AromaticContact CZ-CE1 3.73Å; F903-F944 HydrophobicContact CZ-CE1 3.73Å; V907-F944 HydrophobicContact CG1-CD1 4.44Å; V907-F944 HydrophobicContact CG2-CD1 3.82Å; V907-F944 HydrophobicContact CG2-CE1 3.55Å; T940-F944 VanDerWaalsContact O-CB 3.28Å; T940-F944 WeakPolarHBondContact O-CB 3.42Å; T940-F944 PolarHBondContact O-N 3.15Å; F941-F944 PolarHBondContact O-N 3.07Å; S942-F944 VanDerWaalsContact C-N 3.25Å; S942-F944 PolarHBondContact O-N 3.47Å; F944-N948 VanDerWaalsContact O-CB 3.29Å; F944-N948 WeakPolarHBondContact O-CB 3.05Å; F944-N948 PolarHBondContact O-N 3.06Å; F944-N948 VanDerWaalsContact O-N 3.09Å; F944-N948 PolarHBondContact O-ND2 3.48Å
945	I	64.4	Low	63.8	Low	4 Å²	4	49 Å²	49	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-46	176.1	-69	-146.4	0	0	0	111.2	F900 F903 F941 S942 G947 N948 I949 L950	F900-I945 HydrophobicContact CB-CD1 4.05Å; F900-I945 HydrophobicContact CD1-CD1 4.45Å; F900-I945 HydrophobicContact CD1-CG2 3.44Å; F900-I945 VanDerWaalsContact CD1-CG2 3.44Å; F900-I945 HydrophobicContact CD2-CG2 4.16Å; F900-I945 HydrophobicContact CE1-CG2 3.4Å; F900-I945 VanDerWaalsContact CE1-CG2 3.4Å; F900-I945 HydrophobicContact CE2-CG2 4.13Å; F900-I945 HydrophobicContact CG-CD1 4.29Å; F900-I945 HydrophobicContact CG-CG2 3.83Å; F900-I945 HydrophobicContact CZ-CG2 3.75Å; F900-I945 WeakPolarHBondContact O-CD1 3.48Å; F903-I945 HydrophobicContact CD1-CD1 4.16Å; F903-I945 HydrophobicContact CD1-CG1 4.04Å; F941-I945 HydrophobicContact CD2-CD1 4.2Å; F941-I945 HydrophobicContact CD2-CG1 4.02Å; F941-I945 HydrophobicContact CE1-CD1 4.18Å; F941-I945 HydrophobicContact CE2-CD1 3.17Å; F941-I945 HydrophobicContact CE2-CG1 3.46Å; F941-I945 VanDerWaalsContact CE2-CG1 3.46Å; F941-I945 HydrophobicContact CZ-CD1 3.19Å; F941-I945 HydrophobicContact CZ-CG1 3.84Å; F941-I945 PolarHBondContact O-N 2.84Å; S942-I945 PolarHBondContact O-N 3.43Å; I945-G947 VanDerWaalsContact C-N 3.35Å; I945-G947 PolarHBondContact O-N 3.4Å; I945-N948 PolarHBondContact O-N 2.87Å; I945-I949 PolarHBondContact O-N 3.45Å; I945-L950 PolarHBondContact O-N 2.87Å
946	C	59	Low	66.4	Low	7 Å²	7	47.7 Å²	47.7	5%	0.047	26%	0.258	C	S	.	.	I	π-helix	trans	-59.5	-48.8	-178.6	-71.1	0	0	0	0	110.1	S942 N948 Q951 F1036	S942-C946 WeakPolarHBondContact O-CA 3.31Å; S942-C946 WeakPolarHBondContact O-CB 3.47Å; S942-C946 PolarHBondContact O-N 3.47Å; S942-C946 PolarHBondContact O-SG 3.44Å; C946-N948 PolarHBondContact O-N 3.05Å; C946-Q951 PolarHBondContact O-N 3.12Å; C946-F1036 HydrophobicContact CB-CE2 4.04Å; C946-F1036 WeakPolarHBondContact O-CE2 3.24Å
947	G	65.1	Low	69.2	Low	34 Å²	34	39.8 Å²	39.8	35%	0.351	23%	0.229	S	C	.	.	I	π-helix	trans	-69.3	-28.6	179.5	0	0	0	0	0	114.7	S943 I945 Q951	S943-G947 PolarHBondContact O-N 3.4Å; I945-G947 VanDerWaalsContact C-N 3.35Å; I945-G947 PolarHBondContact O-N 3.4Å; G947-Q951 PolarHBondContact O-OE1 3.13Å
948	N	67.9	Low	71.8	Confident	46 Å²	46	40 Å²	40	25%	0.246	23%	0.227	C	C	.	.	I	π-helix	trans	-94.7	-46.6	-175.2	-80.9	-78.5	0	0	0	114.6	K868 F903 F944 I945 C946	K868-N948 WeakPolarHBondContact CE-O 3.27Å; K868-N948 PolarHBondContact NZ-O 2.85Å; F903-N948 HydrophobicContact CE1-CB 4.48Å; F903-N948 HydrophobicContact CZ-CB 4.44Å; F944-N948 VanDerWaalsContact O-CB 3.29Å; F944-N948 WeakPolarHBondContact O-CB 3.05Å; F944-N948 PolarHBondContact O-N 3.06Å; F944-N948 VanDerWaalsContact O-N 3.09Å; F944-N948 PolarHBondContact O-ND2 3.48Å; I945-N948 PolarHBondContact O-N 2.87Å; C946-N948 PolarHBondContact O-N 3.05Å
949	I	77.5	Confident	74.1	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	24%	0.238	C	C	.	.	I	π-helix	trans	-110.9	-53.8	-171.4	-64.9	-179.6	0	0	0	110.1	I899 F900 F903 I945 Q951 S952 I953	I899-I949 HydrophobicContact CG2-CD1 3.71Å; I899-I949 HydrophobicContact CG2-CG2 3.74Å; F900-I949 HydrophobicContact CE1-CG2 4.45Å; F903-I949 HydrophobicContact CB-CD1 3.86Å; F903-I949 HydrophobicContact CD1-CD1 3.8Å; F903-I949 HydrophobicContact CD2-CD1 3.58Å; F903-I949 HydrophobicContact CE1-CD1 4.16Å; F903-I949 HydrophobicContact CE2-CD1 3.99Å; F903-I949 HydrophobicContact CG-CD1 3.46Å; F903-I949 VanDerWaalsContact CG-CD1 3.46Å; F903-I949 HydrophobicContact CZ-CD1 4.26Å; I945-I949 PolarHBondContact O-N 3.45Å; I949-Q951 VanDerWaalsContact C-N 3.3Å; I949-Q951 PolarHBondContact O-N 3.45Å; I949-S952 WeakPolarHBondContact O-CB 3.44Å; I949-S952 PolarHBondContact O-N 3.22Å; I949-I953 HydrophobicContact CG2-CD1 4.02Å; I949-I953 HydrophobicContact CG2-CG1 4.5Å; I949-I953 PolarHBondContact O-N 2.75Å
950	L	83.6	Confident	76.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-59	-42.2	-172.7	-173.8	52.7	0	0	0	111.5	F900 I945 S952 I953 Y954 L957 F1036 P1038 F1095	F900-L950 HydrophobicContact CE1-CB 4.26Å; F900-L950 HydrophobicContact CZ-CB 3.93Å; F900-L950 HydrophobicContact CZ-CD1 3.93Å; F900-L950 HydrophobicContact CZ-CD2 4.06Å; F900-L950 HydrophobicContact CZ-CG 4.16Å; I945-L950 PolarHBondContact O-N 2.87Å; L950-S952 PolarHBondContact O-N 3.1Å; L950-I953 HydrophobicContact CD1-CD1 4.44Å; L950-I953 HydrophobicContact CD1-CG1 4.14Å; L950-I953 PolarHBondContact O-N 3.17Å; L950-I953 VanDerWaalsContact O-N 3.11Å; L950-Y954 HydrophobicContact CD1-CD2 4.38Å; L950-Y954 WeakPolarHBondContact O-CA 3.41Å; L950-Y954 WeakPolarHBondContact O-CB 3.26Å; L950-Y954 PolarHBondContact O-N 3.36Å; L950-L957 HydrophobicContact CD1-CD2 4.3Å; L950-F1036 HydrophobicContact CG-CD2 4.41Å; L950-P1038 HydrophobicContact CD2-CG 4.13Å; L950-F1095 HydrophobicContact CD2-CZ 4.43Å
951	Q	86.4	Confident	78.7	Confident	113 Å²	113	33.3 Å²	33.3	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-53.4	-32.1	176.9	-170	-179.9	8.9	0	0	113.3	C946 G947 I949 F1036	C946-Q951 PolarHBondContact O-N 3.12Å; G947-Q951 PolarHBondContact O-OE1 3.13Å; I949-Q951 VanDerWaalsContact C-N 3.3Å; I949-Q951 PolarHBondContact O-N 3.45Å; Q951-F1036 HydrophobicContact CB-CE2 4Å; Q951-F1036 HydrophobicContact CB-CZ 4.15Å; Q951-F1036 HydrophobicContact CG-CE2 4.5Å; Q951-F1036 HydrophobicContact CG-CZ 4.24Å
952	S	85.9	Confident	80.8	Confident	50 Å²	50	33.1 Å²	33.1	35%	0.35	19%	0.194	S	C	.	.	H	α-helix	trans	-86.2	-24.8	-177.9	-59.3	0	0	0	0	114.1	N876 I949 L950	N876-S952 PolarHBondContact ND2-O 2.97Å; I949-S952 WeakPolarHBondContact O-CB 3.44Å; I949-S952 PolarHBondContact O-N 3.22Å; L950-S952 PolarHBondContact O-N 3.1Å
953	I	90.8	Very high	82.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-105.8	-20.8	-177.9	63.3	172.3	0	0	0	113.2	I872 F875 T896 I949 L950 P955 N956 L957	I872-I953 HydrophobicContact CG1-CG2 4.28Å; I872-I953 HydrophobicContact CG2-CG2 4.48Å; F875-I953 HydrophobicContact CB-CG2 4.2Å; F875-I953 HydrophobicContact CD1-CB 3.56Å; F875-I953 HydrophobicContact CD1-CG2 3.59Å; F875-I953 HydrophobicContact CE1-CB 3.63Å; F875-I953 HydrophobicContact CE1-CD1 4.46Å; F875-I953 HydrophobicContact CE1-CG1 4.45Å; F875-I953 HydrophobicContact CE1-CG2 4.19Å; F875-I953 HydrophobicContact CG-CB 4.28Å; F875-I953 HydrophobicContact CG-CG2 3.94Å; F875-I953 HydrophobicContact CZ-CB 4.36Å; F875-I953 HydrophobicContact CZ-CD1 4.38Å; T896-I953 HydrophobicContact CG2-CD1 3.85Å; I949-I953 HydrophobicContact CG2-CD1 4.02Å; I949-I953 HydrophobicContact CG2-CG1 4.5Å; I949-I953 PolarHBondContact O-N 2.75Å; L950-I953 HydrophobicContact CD1-CD1 4.44Å; L950-I953 HydrophobicContact CD1-CG1 4.14Å; L950-I953 PolarHBondContact O-N 3.17Å; L950-I953 VanDerWaalsContact O-N 3.11Å; I953-P955 VanDerWaalsContact C-CD 3.49Å; I953-N956 PolarHBondContact O-N 3.47Å; I953-N956 VanDerWaalsContact O-N 3.17Å; I953-L957 PolarHBondContact O-N 3.23Å
954	Y	91.7	Very high	84.2	Confident	29 Å²	29	35.6 Å²	35.6	11%	0.114	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-43.1	-175.7	175.7	-101.8	0	0	0	113.5	L950 N956 L957 F958 F1036 K1041 F1095	L950-Y954 HydrophobicContact CD1-CD2 4.38Å; L950-Y954 WeakPolarHBondContact O-CA 3.41Å; L950-Y954 WeakPolarHBondContact O-CB 3.26Å; L950-Y954 PolarHBondContact O-N 3.36Å; Y954-N956 VanDerWaalsContact C-N 3.28Å; Y954-N956 PolarHBondContact O-N 2.64Å; Y954-L957 PolarHBondContact O-N 3.49Å; Y954-F958 HydrophobicContact CD2-CB 4.26Å; Y954-F958 HydrophobicContact CE1-CB 4.18Å; Y954-F958 HydrophobicContact CE1-CG 4.36Å; Y954-F958 HydrophobicContact CE2-CB 3.86Å; Y954-F958 AromaticContact CE2-CD2 3.82Å; Y954-F958 HydrophobicContact CE2-CD2 3.82Å; Y954-F958 HydrophobicContact CE2-CG 4.03Å; Y954-F958 AromaticContact CZ-CD2 3.78Å; Y954-F958 AromaticContact CZ-CG 3.73Å; Y954-F958 VanDerWaalsContact O-CB 3.24Å; Y954-F958 WeakPolarHBondContact O-CB 3.43Å; Y954-F958 PolarHBondContact O-N 2.88Å; Y954-F958 WeakPolarHBondContact OH-CD2 3.44Å; Y954-F1036 HydrophobicContact CD1-CB 3.48Å; Y954-F1036 VanDerWaalsContact CD1-CB 3.48Å; Y954-F1036 HydrophobicContact CD2-CB 4.13Å; Y954-F1036 HydrophobicContact CE1-CB 3.54Å; Y954-F1036 HydrophobicContact CE2-CB 4.21Å; Y954-F1036 HydrophobicContact CG-CB 3.78Å; Y954-K1041 WeakPolarHBondContact OH-CE 3.36Å; Y954-K1041 PolarHBondContact OH-NZ 2.87Å; Y954-F1095 HydrophobicContact CD2-CE1 4.3Å; Y954-F1095 AromaticContact CD2-CE2 3.91Å; Y954-F1095 HydrophobicContact CD2-CE2 3.91Å; Y954-F1095 AromaticContact CD2-CZ 3.65Å; Y954-F1095 HydrophobicContact CD2-CZ 3.65Å; Y954-F1095 HydrophobicContact CE2-CD1 4.18Å; Y954-F1095 HydrophobicContact CE2-CD2 4.32Å; Y954-F1095 AromaticContact CE2-CE1 3.67Å; Y954-F1095 HydrophobicContact CE2-CE1 3.67Å; Y954-F1095 AromaticContact CE2-CE2 3.83Å; Y954-F1095 HydrophobicContact CE2-CE2 3.83Å; Y954-F1095 HydrophobicContact CE2-CG 4.49Å; Y954-F1095 AromaticContact CE2-CZ 3.47Å; Y954-F1095 HydrophobicContact CE2-CZ 3.47Å; Y954-F1095 VanDerWaalsContact CE2-CZ 3.47Å
955	P	92.6	Very high	85.9	Confident	74 Å²	74	32.4 Å²	32.4	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-57.2	-40.5	179.2	-26.8	36.2	0	0	0	113.4	I953 T959	I953-P955 VanDerWaalsContact C-CD 3.49Å; P955-T959 WeakPolarHBondContact O-CB 3.14Å; P955-T959 PolarHBondContact O-N 3.05Å; P955-T959 VanDerWaalsContact O-N 3.16Å; P955-T959 PolarHBondContact O-OG1 2.86Å
956	N	93.4	Very high	87.2	Confident	34 Å²	34	35.6 Å²	35.6	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-78.2	-41.5	179.7	-66.3	-42.9	0	0	0	111.6	N876 S880 I953 Y954 T959 L960	N876-N956 WeakPolarHBondContact CB-ND2 3.15Å; N876-N956 PolarHBondContact OD1-ND2 3.47Å; S880-N956 VanDerWaalsContact CB-OD1 3.24Å; S880-N956 WeakPolarHBondContact CB-OD1 3.39Å; I953-N956 PolarHBondContact O-N 3.47Å; I953-N956 VanDerWaalsContact O-N 3.17Å; Y954-N956 VanDerWaalsContact C-N 3.28Å; Y954-N956 PolarHBondContact O-N 2.64Å; N956-T959 WeakPolarHBondContact O-CB 3.45Å; N956-T959 PolarHBondContact O-N 2.89Å; N956-L960 PolarHBondContact O-N 2.94Å
957	L	93.8	Very high	88.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-47.6	175.3	177.9	60.6	0	0	0	111.8	F875 A892 V893 T896 L950 I953 Y954 T959 L960 Y961 F1095 F1099	F875-L957 HydrophobicContact CE1-CB 4.27Å; F875-L957 HydrophobicContact CZ-CB 4.15Å; F875-L957 HydrophobicContact CZ-CD1 4.33Å; A892-L957 HydrophobicContact CB-CD1 3.96Å; V893-L957 HydrophobicContact CG2-CD1 4.39Å; T896-L957 HydrophobicContact CG2-CD2 4.06Å; L950-L957 HydrophobicContact CD1-CD2 4.3Å; I953-L957 PolarHBondContact O-N 3.23Å; Y954-L957 PolarHBondContact O-N 3.49Å; L957-T959 VanDerWaalsContact C-N 3.31Å; L957-T959 PolarHBondContact O-N 3Å; L957-L960 WeakPolarHBondContact O-CB 3.23Å; L957-L960 PolarHBondContact O-N 3.27Å; L957-L960 VanDerWaalsContact O-N 3.13Å; L957-Y961 HydrophobicContact CD1-CE2 4.11Å; L957-Y961 HydrophobicContact CG-CE2 4.22Å; L957-Y961 WeakPolarHBondContact O-CD2 3.43Å; L957-Y961 PolarHBondContact O-N 3.32Å; L957-F1095 HydrophobicContact CD2-CE2 4.07Å; L957-F1099 HydrophobicContact CD1-CE2 4.48Å; L957-F1099 HydrophobicContact CD1-CZ 4.49Å; L957-F1099 HydrophobicContact CD2-CE2 3.76Å; L957-F1099 HydrophobicContact CD2-CZ 3.75Å; L957-F1099 HydrophobicContact CG-CE2 4.47Å
958	F	94.9	Very high	89.9	Confident	23 Å²	23	40.3 Å²	40.3	10%	0.101	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-32.4	179.9	-163.9	-106.5	0	0	0	111.8	Y954 L960 Y961 V962 A1091 E1092 F1095	Y954-F958 HydrophobicContact CD2-CB 4.26Å; Y954-F958 HydrophobicContact CE1-CB 4.18Å; Y954-F958 HydrophobicContact CE1-CG 4.36Å; Y954-F958 HydrophobicContact CE2-CB 3.86Å; Y954-F958 AromaticContact CE2-CD2 3.82Å; Y954-F958 HydrophobicContact CE2-CD2 3.82Å; Y954-F958 HydrophobicContact CE2-CG 4.03Å; Y954-F958 AromaticContact CZ-CD2 3.78Å; Y954-F958 AromaticContact CZ-CG 3.73Å; Y954-F958 VanDerWaalsContact O-CB 3.24Å; Y954-F958 WeakPolarHBondContact O-CB 3.43Å; Y954-F958 PolarHBondContact O-N 2.88Å; Y954-F958 WeakPolarHBondContact OH-CD2 3.44Å; F958-L960 PolarHBondContact O-N 2.87Å; F958-Y961 WeakPolarHBondContact O-CB 3.36Å; F958-Y961 PolarHBondContact O-N 2.84Å; F958-V962 HydrophobicContact CD1-CG2 3.95Å; F958-V962 HydrophobicContact CE1-CG2 3.83Å; F958-V962 WeakPolarHBondContact O-CG2 3.32Å; F958-V962 PolarHBondContact O-N 3.16Å; F958-A1091 HydrophobicContact CE2-CB 4.25Å; F958-A1091 HydrophobicContact CZ-CB 3.92Å; F958-E1092 HydrophobicContact CE2-CG 4.49Å; F958-E1092 WeakPolarHBondContact CE2-OE2 3.22Å; F958-E1092 HydrophobicContact CZ-CG 4.01Å; F958-E1092 WeakPolarHBondContact CZ-OE1 3.47Å; F958-F1095 HydrophobicContact CD2-CB 4.21Å; F958-F1095 HydrophobicContact CD2-CD2 4.48Å; F958-F1095 HydrophobicContact CD2-CG 4.2Å; F958-F1095 HydrophobicContact CE2-CB 4.12Å; F958-F1095 HydrophobicContact CE2-CG 4.43Å
959	T	94.1	Very high	91.2	Very high	63 Å²	63	38.4 Å²	38.4	39%	0.387	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-39.9	171.1	-63.9	0	0	0	0	111.5	P955 N956 L957 Y961 V962 I963	P955-T959 WeakPolarHBondContact O-CB 3.14Å; P955-T959 PolarHBondContact O-N 3.05Å; P955-T959 VanDerWaalsContact O-N 3.16Å; P955-T959 PolarHBondContact O-OG1 2.86Å; N956-T959 WeakPolarHBondContact O-CB 3.45Å; N956-T959 PolarHBondContact O-N 2.89Å; L957-T959 VanDerWaalsContact C-N 3.31Å; L957-T959 PolarHBondContact O-N 3Å; T959-Y961 PolarHBondContact O-N 3Å; T959-V962 PolarHBondContact O-N 2.79Å; T959-I963 HydrophobicContact CG2-CD1 3.87Å; T959-I963 HydrophobicContact CG2-CG1 4.34Å; T959-I963 VanDerWaalsContact O-CG1 3.26Å; T959-I963 WeakPolarHBondContact O-CG1 3.42Å; T959-I963 PolarHBondContact O-N 3.31Å
960	L	94.7	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-38.8	174.3	-72.7	165.9	0	0	0	112.7	Y879 V884 L888 L889 A892 N956 L957 F958 V962 I963 K964	Y879-L960 HydrophobicContact CD1-CD1 3.84Å; Y879-L960 HydrophobicContact CG-CD1 3.99Å; V884-L960 HydrophobicContact CG1-CD2 3.35Å; V884-L960 HydrophobicContact CG1-CG 4.07Å; L888-L960 HydrophobicContact CB-CD2 4.03Å; L889-L960 HydrophobicContact CB-CB 4.21Å; L889-L960 HydrophobicContact CD1-CB 3.66Å; A892-L960 HydrophobicContact CB-CD1 3.4Å; N956-L960 PolarHBondContact O-N 2.94Å; L957-L960 WeakPolarHBondContact O-CB 3.23Å; L957-L960 PolarHBondContact O-N 3.27Å; L957-L960 VanDerWaalsContact O-N 3.13Å; F958-L960 PolarHBondContact O-N 2.87Å; L960-V962 VanDerWaalsContact C-N 3.34Å; L960-I963 PolarHBondContact O-N 3.04Å; L960-K964 VanDerWaalsContact O-CB 3.3Å; L960-K964 WeakPolarHBondContact O-CB 3.47Å; L960-K964 PolarHBondContact O-N 3.36Å
961	Y	95.4	Very high	92.3	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-41.4	173.4	-80.2	-82.2	0	0	0	112	L889 V893 L957 F958 T959 K964 N965 N1094 F1095 D1098 F1099	L889-Y961 HydrophobicContact CD1-CD1 4.16Å; L889-Y961 HydrophobicContact CD1-CD2 3.68Å; L889-Y961 HydrophobicContact CD1-CE1 4.09Å; L889-Y961 HydrophobicContact CD1-CE2 3.62Å; L889-Y961 HydrophobicContact CD1-CG 3.96Å; L889-Y961 HydrophobicContact CD2-CD1 4.04Å; L889-Y961 HydrophobicContact CD2-CE1 4.1Å; L889-Y961 HydrophobicContact CD2-CG 4.47Å; V893-Y961 HydrophobicContact CG2-CE2 4.23Å; V893-Y961 WeakPolarHBondContact CG2-OH 3.41Å; L957-Y961 HydrophobicContact CD1-CE2 4.11Å; L957-Y961 HydrophobicContact CG-CE2 4.22Å; L957-Y961 WeakPolarHBondContact O-CD2 3.43Å; L957-Y961 PolarHBondContact O-N 3.32Å; F958-Y961 WeakPolarHBondContact O-CB 3.36Å; F958-Y961 PolarHBondContact O-N 2.84Å; T959-Y961 PolarHBondContact O-N 3Å; Y961-K964 PolarHBondContact O-N 3.36Å; Y961-N965 WeakPolarHBondContact O-CB 3.38Å; Y961-N965 PolarHBondContact O-N 3.44Å; Y961-N965 PolarHBondContact O-ND2 3.02Å; Y961-N1094 HydrophobicContact CD1-CB 3.72Å; Y961-N1094 VanDerWaalsContact CE1-C 3.41Å; Y961-N1094 HydrophobicContact CE1-CB 3.77Å; Y961-F1095 HydrophobicContact CD1-CB 4.24Å; Y961-F1095 HydrophobicContact CD2-CB 4.12Å; Y961-F1095 HydrophobicContact CD2-CD2 4.07Å; Y961-F1095 HydrophobicContact CE1-CB 4.23Å; Y961-F1095 HydrophobicContact CE2-CB 4.09Å; Y961-F1095 AromaticContact CE2-CD2 3.68Å; Y961-F1095 HydrophobicContact CE2-CD2 3.68Å; Y961-F1095 HydrophobicContact CE2-CG 4.39Å; Y961-F1095 HydrophobicContact CG-CB 4.19Å; Y961-D1098 WeakPolarHBondContact CE1-OD2 3.31Å; Y961-D1098 WeakPolarHBondContact OH-CB 3.36Å; Y961-D1098 VanDerWaalsContact OH-CG 3.29Å; Y961-D1098 PolarHBondContact OH-OD2 2.82Å; Y961-F1099 HydrophobicContact CE2-CE2 4.19Å; Y961-F1099 WeakPolarHBondContact OH-CE2 3.36Å
962	V	95.2	Very high	92.6	Very high	24 Å²	24	39.2 Å²	39.2	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-47.5	177.5	175.9	0	0	0	0	111.1	F958 T959 L960 K964 N965 E966 A1091	F958-V962 HydrophobicContact CD1-CG2 3.95Å; F958-V962 HydrophobicContact CE1-CG2 3.83Å; F958-V962 WeakPolarHBondContact O-CG2 3.32Å; F958-V962 PolarHBondContact O-N 3.16Å; T959-V962 PolarHBondContact O-N 2.79Å; L960-V962 VanDerWaalsContact C-N 3.34Å; V962-K964 VanDerWaalsContact C-N 3.34Å; V962-K964 PolarHBondContact O-N 2.8Å; V962-N965 PolarHBondContact O-N 2.95Å; V962-E966 WeakPolarHBondContact O-CA 3.33Å; V962-E966 PolarHBondContact O-N 2.85Å; V962-A1091 HydrophobicContact CG2-CB 4.07Å
963	I	91.7	Very high	92.9	Very high	41 Å²	41	38.8 Å²	38.8	21%	0.21	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-41	179.4	-59.1	166.6	0	0	0	109.9	V884 R886 T959 L960 N965	V884-I963 HydrophobicContact CB-CD1 4.06Å; V884-I963 HydrophobicContact CG1-CD1 3.48Å; V884-I963 VanDerWaalsContact CG1-CD1 3.48Å; R886-I963 HydrophobicContact CB-CG2 4.49Å; R886-I963 WeakPolarHBondContact CD-O 3.37Å; R886-I963 HydrophobicContact CG-CB 4.3Å; R886-I963 HydrophobicContact CG-CG2 3.31Å; R886-I963 PolarHBondContact NE-O 2.99Å; T959-I963 HydrophobicContact CG2-CD1 3.87Å; T959-I963 HydrophobicContact CG2-CG1 4.34Å; T959-I963 VanDerWaalsContact O-CG1 3.26Å; T959-I963 WeakPolarHBondContact O-CG1 3.42Å; T959-I963 PolarHBondContact O-N 3.31Å; L960-I963 PolarHBondContact O-N 3.04Å; I963-N965 VanDerWaalsContact C-N 3.33Å; I963-N965 PolarHBondContact O-N 3.4Å
964	K	91.2	Very high	92.8	Very high	115 Å²	115	44 Å²	44	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-37	178.4	-178	66.1	175.1	-176.4	0	113	R886 L889 L960 Y961 V962	R886-K964 HydrophobicContact CB-CD 4.47Å; L889-K964 HydrophobicContact CD2-CB 3.69Å; L889-K964 HydrophobicContact CD2-CG 3.68Å; L960-K964 VanDerWaalsContact O-CB 3.3Å; L960-K964 WeakPolarHBondContact O-CB 3.47Å; L960-K964 PolarHBondContact O-N 3.36Å; Y961-K964 PolarHBondContact O-N 3.36Å; V962-K964 VanDerWaalsContact C-N 3.34Å; V962-K964 PolarHBondContact O-N 2.8Å
965	N	94	Very high	92.6	Very high	16 Å²	16	44.2 Å²	44.2	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-98.5	4.4	-175.2	-68.9	-69.6	0	0	0	114	Y961 V962 I963 D967 S968 D969 A1091 N1094	Y961-N965 WeakPolarHBondContact O-CB 3.38Å; Y961-N965 PolarHBondContact O-N 3.44Å; Y961-N965 PolarHBondContact O-ND2 3.02Å; V962-N965 PolarHBondContact O-N 2.95Å; I963-N965 VanDerWaalsContact C-N 3.33Å; I963-N965 PolarHBondContact O-N 3.4Å; N965-D967 VanDerWaalsContact C-N 3.29Å; N965-D967 PolarHBondContact O-N 3.15Å; N965-S968 PolarHBondContact O-N 2.85Å; N965-D969 WeakPolarHBondContact O-CB 3.15Å; N965-D969 PolarHBondContact O-N 2.82Å; N965-A1091 HydrophobicContact CB-CB 4.48Å; N965-N1094 PolarHBondContact ND2-ND2 2.85Å; N965-N1094 PolarHBondContact OD1-ND2 2.88Å
966	E	92.8	Very high	92.3	Very high	72 Å²	72	41 Å²	41	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-53.4	-42.2	-172.8	-176.9	-175.7	-173.8	0	0	113.3	R886 V962 K970	R886-E966 IonicContact CZ-OE2 3.45Å; R886-E966 IonicContact NH2-OE2 3.92Å; R886-E966 PolarHBondContact NH2-OE2 2.83Å; V962-E966 WeakPolarHBondContact O-CA 3.33Å; V962-E966 PolarHBondContact O-N 2.85Å; E966-K970 HydrophobicContact CG-CD 4.13Å; E966-K970 VanDerWaalsContact O-CB 3.24Å; E966-K970 WeakPolarHBondContact O-CB 3.26Å; E966-K970 WeakPolarHBondContact O-CG 3.47Å; E966-K970 PolarHBondContact O-N 3.02Å; E966-K970 VanDerWaalsContact OE1-CE 3.3Å; E966-K970 WeakPolarHBondContact OE1-CE 3.39Å; E966-K970 IonicContact OE1-NZ 2.84Å; E966-K970 PolarHBondContact OE1-NZ 2.91Å
967	D	89.7	Confident	91.9	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	23%	0.233	S	C	.	.	H	α-helix	trans	-71.6	-42.2	-177.2	-54.2	-30.4	0	0	0	111.6	R886 N965 A971	R886-D967 IonicContact CZ-OD1 3.85Å; R886-D967 IonicContact CZ-OD2 3.84Å; R886-D967 IonicContact NH1-OD1 3.89Å; R886-D967 IonicContact NH1-OD2 2.91Å; R886-D967 PolarHBondContact NH1-OD2 3.15Å; R886-D967 IonicContact NH2-OD1 3.72Å; R886-D967 PolarHBondContact NH2-OD1 3.08Å; R886-D967 VanDerWaalsContact NH2-OD1 3.17Å; R886-D967 IonicContact NH2-OD2 3.64Å; N965-D967 VanDerWaalsContact C-N 3.29Å; N965-D967 PolarHBondContact O-N 3.15Å; D967-A971 PolarHBondContact O-N 3.34Å; D967-A971 VanDerWaalsContact O-N 3.13Å
968	S	91.7	Very high	91.2	Very high	46 Å²	46	50.7 Å²	50.7	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-43.3	176.9	-58.9	0	0	0	0	111.7	N965 A971 Y972 Y1120	N965-S968 PolarHBondContact O-N 2.85Å; S968-A971 PolarHBondContact O-N 3.12Å; S968-Y972 VanDerWaalsContact O-CB 3.28Å; S968-Y972 WeakPolarHBondContact O-CB 3.41Å; S968-Y972 PolarHBondContact O-N 3.4Å; S968-Y1120 VanDerWaalsContact CB-OH 3.28Å; S968-Y1120 WeakPolarHBondContact CB-OH 3.42Å
969	D	95.1	Very high	90.6	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-32.8	177.9	-77.9	-16	0	0	0	112.1	N965 Q973 G1090 A1091 Y1120	N965-D969 WeakPolarHBondContact O-CB 3.15Å; N965-D969 PolarHBondContact O-N 2.82Å; D969-Q973 WeakPolarHBondContact O-CB 3.48Å; D969-Q973 VanDerWaalsContact O-CG 3.26Å; D969-Q973 WeakPolarHBondContact O-CG 3.21Å; D969-Q973 PolarHBondContact O-N 3.4Å; D969-G1090 WeakPolarHBondContact OD1-CA 3.31Å; D969-G1090 PolarHBondContact OD1-N 3.25Å; D969-A1091 PolarHBondContact OD2-N 2.79Å; D969-Y1120 WeakPolarHBondContact OD1-CE2 3.11Å; D969-Y1120 PolarHBondContact OD1-OH 3.1Å
970	K	93.3	Very high	90.1	Very high	103 Å²	103	48.1 Å²	48.1	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-47.7	169.9	-81.4	172.8	-175.1	169.4	0	111.8	E966 Q973 L974	E966-K970 HydrophobicContact CG-CD 4.13Å; E966-K970 VanDerWaalsContact O-CB 3.24Å; E966-K970 WeakPolarHBondContact O-CB 3.26Å; E966-K970 WeakPolarHBondContact O-CG 3.47Å; E966-K970 PolarHBondContact O-N 3.02Å; E966-K970 VanDerWaalsContact OE1-CE 3.3Å; E966-K970 WeakPolarHBondContact OE1-CE 3.39Å; E966-K970 IonicContact OE1-NZ 2.84Å; E966-K970 PolarHBondContact OE1-NZ 2.91Å; K970-Q973 PolarHBondContact O-N 2.95Å; K970-L974 VanDerWaalsContact O-CG 3.31Å; K970-L974 WeakPolarHBondContact O-CG 3.44Å; K970-L974 PolarHBondContact O-N 3.25Å
971	A	90.8	Very high	89.5	Confident	31 Å²	31	52.9 Å²	52.9	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-46.9	177.5	0	0	0	0	0	111.4	D967 S968 Q973 L974 N975 V1124	D967-A971 PolarHBondContact O-N 3.34Å; D967-A971 VanDerWaalsContact O-N 3.13Å; S968-A971 PolarHBondContact O-N 3.12Å; A971-Q973 PolarHBondContact O-N 3.33Å; A971-L974 PolarHBondContact O-N 3.15Å; A971-N975 WeakPolarHBondContact O-CB 3.39Å; A971-N975 PolarHBondContact O-N 3.41Å; A971-N975 PolarHBondContact O-ND2 3.34Å; A971-V1124 HydrophobicContact CB-CG1 4.34Å
972	Y	93	Very high	88.9	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-48.7	174.1	165.2	-98.6	0	0	0	112.8	S968 L974 N975 I976 L1081 I1086 L1089 Y1120 L1123	S968-Y972 VanDerWaalsContact O-CB 3.28Å; S968-Y972 WeakPolarHBondContact O-CB 3.41Å; S968-Y972 PolarHBondContact O-N 3.4Å; Y972-L974 PolarHBondContact O-N 2.88Å; Y972-N975 PolarHBondContact O-N 3.18Å; Y972-I976 HydrophobicContact CD1-CD1 4.46Å; Y972-I976 HydrophobicContact CD2-CD1 4.08Å; Y972-I976 HydrophobicContact CD2-CG1 4.36Å; Y972-I976 HydrophobicContact CE1-CD1 3.72Å; Y972-I976 HydrophobicContact CE2-CD1 3.28Å; Y972-I976 HydrophobicContact CE2-CG1 3.99Å; Y972-I976 PolarHBondContact O-N 3.01Å; Y972-I976 WeakPolarHBondContact OH-CD1 3.42Å; Y972-L1081 HydrophobicContact CE2-CD2 3.56Å; Y972-L1081 WeakPolarHBondContact OH-CD2 3.39Å; Y972-I1086 WeakPolarHBondContact CE1-O 3.02Å; Y972-I1086 PolarHBondContact OH-O 2.61Å; Y972-L1089 HydrophobicContact CE1-CB 3.99Å; Y972-L1089 HydrophobicContact CE2-CD2 4.16Å; Y972-Y1120 HydrophobicContact CD1-CE2 4.19Å; Y972-Y1120 AromaticContact CD2-CD2 3.57Å; Y972-Y1120 HydrophobicContact CD2-CD2 3.57Å; Y972-Y1120 AromaticContact CD2-CE2 3.75Å; Y972-Y1120 HydrophobicContact CD2-CE2 3.75Å; Y972-Y1120 AromaticContact CE2-CD2 3.83Å; Y972-Y1120 HydrophobicContact CE2-CD2 3.83Å; Y972-Y1120 HydrophobicContact CE2-CE2 4.31Å; Y972-Y1120 HydrophobicContact CG-CD2 4Å; Y972-Y1120 AromaticContact CG-CE2 3.66Å; Y972-Y1120 HydrophobicContact CG-CE2 3.66Å; Y972-L1123 HydrophobicContact CD2-CB 3.93Å; Y972-L1123 HydrophobicContact CD2-CD1 4.33Å; Y972-L1123 HydrophobicContact CE2-CB 4.33Å; Y972-L1123 HydrophobicContact CE2-CD1 3.89Å
973	Q	90.3	Very high	88	Confident	42 Å²	42	55.5 Å²	55.5	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-41.1	179	-79.2	-176.2	14.7	0	0	112.6	D969 K970 A971 R977 Q1087	D969-Q973 WeakPolarHBondContact O-CB 3.48Å; D969-Q973 VanDerWaalsContact O-CG 3.26Å; D969-Q973 WeakPolarHBondContact O-CG 3.21Å; D969-Q973 PolarHBondContact O-N 3.4Å; K970-Q973 PolarHBondContact O-N 2.95Å; A971-Q973 PolarHBondContact O-N 3.33Å; Q973-R977 VanDerWaalsContact O-CG 3.31Å; Q973-R977 WeakPolarHBondContact O-CG 3.03Å; Q973-R977 PolarHBondContact O-N 3.16Å; Q973-Q1087 WeakPolarHBondContact CG-O 3.41Å; Q973-Q1087 PolarHBondContact NE2-O 3.08Å
974	L	88.6	Confident	87.4	Confident	110 Å²	110	53.8 Å²	53.8	58%	0.576	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-46	177.2	-74.1	170.8	0	0	0	110.8	K970 A971 Y972 R977 H978	K970-L974 VanDerWaalsContact O-CG 3.31Å; K970-L974 WeakPolarHBondContact O-CG 3.44Å; K970-L974 PolarHBondContact O-N 3.25Å; A971-L974 PolarHBondContact O-N 3.15Å; Y972-L974 PolarHBondContact O-N 2.88Å; L974-R977 PolarHBondContact O-N 3.11Å; L974-H978 PolarHBondContact O-N 3.29Å
975	N	87.4	Confident	86.6	Confident	32 Å²	32	48.7 Å²	48.7	17%	0.171	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-44.3	179.5	-70.6	-16.5	0	0	0	111.5	A971 Y972 R977 H978 V979 L1123 S1126	A971-N975 WeakPolarHBondContact O-CB 3.39Å; A971-N975 PolarHBondContact O-N 3.41Å; A971-N975 PolarHBondContact O-ND2 3.34Å; Y972-N975 PolarHBondContact O-N 3.18Å; N975-R977 VanDerWaalsContact C-N 3.35Å; N975-R977 PolarHBondContact O-N 3.43Å; N975-H978 PolarHBondContact O-N 2.79Å; N975-V979 WeakPolarHBondContact O-CG2 3.11Å; N975-V979 PolarHBondContact O-N 2.98Å; N975-L1123 WeakPolarHBondContact CB-O 3.29Å; N975-L1123 PolarHBondContact ND2-O 3.49Å; N975-S1126 PolarHBondContact ND2-O 3.36Å; N975-S1126 VanDerWaalsContact ND2-O 3.11Å
976	I	87.2	Confident	85.9	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-43.3	174.5	-77.2	-168.3	0	0	0	112	Y972 H978 V979 N980 L1081 I1082 Q1085 L1123	Y972-I976 HydrophobicContact CD1-CD1 4.46Å; Y972-I976 HydrophobicContact CD2-CD1 4.08Å; Y972-I976 HydrophobicContact CD2-CG1 4.36Å; Y972-I976 HydrophobicContact CE1-CD1 3.72Å; Y972-I976 HydrophobicContact CE2-CD1 3.28Å; Y972-I976 HydrophobicContact CE2-CG1 3.99Å; Y972-I976 PolarHBondContact O-N 3.01Å; Y972-I976 WeakPolarHBondContact OH-CD1 3.42Å; I976-H978 VanDerWaalsContact C-N 3.27Å; I976-H978 PolarHBondContact O-N 2.91Å; I976-V979 PolarHBondContact O-N 2.89Å; I976-N980 HydrophobicContact CG2-CB 4.41Å; I976-N980 WeakPolarHBondContact O-CA 3.3Å; I976-N980 WeakPolarHBondContact O-CB 3.45Å; I976-N980 PolarHBondContact O-N 2.92Å; I976-L1081 HydrophobicContact CD1-CD2 3.96Å; I976-I1082 HydrophobicContact CG1-CG1 4.42Å; I976-Q1085 HydrophobicContact CG2-CG 4.48Å; I976-L1123 HydrophobicContact CD1-CD1 4.32Å; I976-L1123 HydrophobicContact CG1-CD1 4.27Å
977	R	84.1	Confident	85.5	Confident	154 Å²	154	49.4 Å²	49.4	58%	0.581	26%	0.257	S	S	*	.	H	α-helix	trans	-60.6	-38.7	180	-75.7	178.4	-161.1	171.2	8.5	112.2	Q973 L974 N975	Q973-R977 VanDerWaalsContact O-CG 3.31Å; Q973-R977 WeakPolarHBondContact O-CG 3.03Å; Q973-R977 PolarHBondContact O-N 3.16Å; L974-R977 PolarHBondContact O-N 3.11Å; N975-R977 VanDerWaalsContact C-N 3.35Å; N975-R977 PolarHBondContact O-N 3.43Å
978	H	80.3	Confident	85.2	Confident	84 Å²	84	45 Å²	45	39%	0.389	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-45.7	176.5	-172.3	78.3	0	0	0	112	L974 N975 I976 N980 S981 I1129 G1130	L974-H978 PolarHBondContact O-N 3.29Å; N975-H978 PolarHBondContact O-N 2.79Å; I976-H978 VanDerWaalsContact C-N 3.27Å; I976-H978 PolarHBondContact O-N 2.91Å; H978-N980 PolarHBondContact O-N 3.46Å; H978-S981 PolarHBondContact O-OG 3.28Å; H978-I1129 PolarHBondContact CD2-O 3.37Å; H978-I1129 VanDerWaalsContact CD2-O 3.24Å; H978-I1129 PolarHBondContact NE2-O 2.98Å; H978-G1130 WeakPolarHBondContact NE2-CA 3.34Å; H978-G1130 PolarHBondContact NE2-OXT 3.15Å
979	V	82.8	Confident	84.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-37.9	-178.5	-175.1	0	0	0	0	111.3	N975 I976 S981 K982 L987 I1082 I1129	N975-V979 WeakPolarHBondContact O-CG2 3.11Å; N975-V979 PolarHBondContact O-N 2.98Å; I976-V979 PolarHBondContact O-N 2.89Å; V979-S981 PolarHBondContact O-N 3.38Å; V979-K982 WeakPolarHBondContact O-CB 3.2Å; V979-K982 WeakPolarHBondContact O-CG 3.4Å; V979-K982 PolarHBondContact O-N 3.34Å; V979-K982 VanDerWaalsContact O-N 3.1Å; V979-L987 HydrophobicContact CG1-CD1 3.15Å; V979-L987 HydrophobicContact CG1-CG 4.47Å; V979-I1082 HydrophobicContact CB-CG2 4.47Å; V979-I1082 HydrophobicContact CG1-CD1 3.76Å; V979-I1082 HydrophobicContact CG1-CG2 4.22Å; V979-I1129 HydrophobicContact CB-CG2 4.31Å; V979-I1129 HydrophobicContact CG1-CG2 4.41Å; V979-I1129 HydrophobicContact CG2-CB 3.89Å; V979-I1129 HydrophobicContact CG2-CD1 3.76Å; V979-I1129 HydrophobicContact CG2-CG1 4.4Å; V979-I1129 HydrophobicContact CG2-CG2 3.29Å
980	N	83.7	Confident	84.3	Confident	31 Å²	31	50.7 Å²	50.7	17%	0.166	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11	-172.9	-167.3	65.8	0	0	0	113.4	I976 H978 K982 I1082 R1083 Q1085	I976-N980 HydrophobicContact CG2-CB 4.41Å; I976-N980 WeakPolarHBondContact O-CA 3.3Å; I976-N980 WeakPolarHBondContact O-CB 3.45Å; I976-N980 PolarHBondContact O-N 2.92Å; H978-N980 PolarHBondContact O-N 3.46Å; N980-K982 VanDerWaalsContact C-N 3.28Å; N980-I1082 HydrophobicContact CB-CG2 4.08Å; N980-R1083 PolarHBondContact O-NH1 2.98Å; N980-R1083 PolarHBondContact OD1-NH1 3.3Å; N980-Q1085 PolarHBondContact ND2-NE2 3.29Å
981	S	81.6	Confident	84.1	Confident	99 Å²	99	46.9 Å²	46.9	69%	0.692	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-14.5	170.8	67.4	0	0	0	0	113.4	H978 V979	H978-S981 PolarHBondContact O-OG 3.28Å; V979-S981 PolarHBondContact O-N 3.38Å
982	K	82.1	Confident	83.7	Confident	48 Å²	48	48 Å²	48	21%	0.209	26%	0.256	C	S	.	.	S	Bend	trans	-70.6	143.8	174.7	-63.8	178.1	179.7	172.5	0	110.1	V979 N980 M986 L987 H990 R1083	V979-K982 WeakPolarHBondContact O-CB 3.2Å; V979-K982 WeakPolarHBondContact O-CG 3.4Å; V979-K982 PolarHBondContact O-N 3.34Å; V979-K982 VanDerWaalsContact O-N 3.1Å; N980-K982 VanDerWaalsContact C-N 3.28Å; K982-M986 HydrophobicContact CB-CB 4.09Å; K982-L987 HydrophobicContact CB-CB 4.31Å; K982-H990 HydrophobicContact CD-CB 4.46Å; K982-H990 PolarHBondContact NZ-CE1 3.14Å; K982-H990 PolarHBondContact NZ-ND1 3.38Å; K982-H990 VanDerWaalsContact NZ-ND1 3.19Å; K982-R1083 PolarHBondContact O-NH2 3.27Å
983	S	77.5	Confident	83.2	Confident	33 Å²	33	48.3 Å²	48.3	23%	0.231	26%	0.258	C	S	.	.			trans	-60.6	161.6	168.1	63.3	0	0	0	0	110.8	V985 M986 L987 C1014	S983-V985 VanDerWaalsContact C-N 3.3Å; S983-V985 PolarHBondContact O-N 2.77Å; S983-M986 PolarHBondContact O-N 2.94Å; S983-M986 WeakPolarHBondContact OG-CB 3.48Å; S983-M986 WeakPolarHBondContact OG-CG 3.35Å; S983-M986 PolarHBondContact OG-N 3.45Å; S983-L987 WeakPolarHBondContact O-CB 3.42Å; S983-L987 PolarHBondContact O-N 3.16Å; S983-C1014 WeakPolarHBondContact CB-SG 3.21Å
984	D	77.5	Confident	82.7	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-42.8	-178.8	-65.8	-31.3	0	0	0	111.9	M986 L987 L988 A1017 R1018 Y1079 R1083	D984-M986 PolarHBondContact O-N 3.37Å; D984-L987 PolarHBondContact O-N 2.84Å; D984-L988 WeakPolarHBondContact O-CB 3.04Å; D984-L988 WeakPolarHBondContact O-CD1 3.25Å; D984-L988 WeakPolarHBondContact O-CG 3.24Å; D984-L988 PolarHBondContact O-N 3.23Å; D984-A1017 HydrophobicContact CB-CB 3.62Å; D984-A1017 WeakPolarHBondContact OD2-CB 3.41Å; D984-R1018 VanDerWaalsContact OD2-CA 3.28Å; D984-R1018 WeakPolarHBondContact OD2-CA 3.4Å; D984-R1018 VanDerWaalsContact OD2-CB 3.29Å; D984-R1018 WeakPolarHBondContact OD2-CB 3.47Å; D984-R1018 PolarHBondContact OD2-N 3.02Å; D984-Y1079 HydrophobicContact CB-CE2 4.31Å; D984-Y1079 VanDerWaalsContact CG-OH 3.3Å; D984-Y1079 PolarHBondContact OD1-OH 3.11Å; D984-R1083 IonicContact OD1-CZ 3.27Å; D984-R1083 IonicContact OD1-NE 2.76Å; D984-R1083 PolarHBondContact OD1-NE 2.94Å; D984-R1083 IonicContact OD1-NH2 3.3Å; D984-R1083 PolarHBondContact OD1-NH2 3.45Å
985	V	76.1	Confident	82.1	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-55.1	173.2	175.2	0	0	0	0	111.5	S983 L987 L988 D989 W998 I1000 F1002 L1008	S983-V985 VanDerWaalsContact C-N 3.3Å; S983-V985 PolarHBondContact O-N 2.77Å; V985-L987 PolarHBondContact O-N 2.66Å; V985-L988 PolarHBondContact O-N 3.41Å; V985-D989 WeakPolarHBondContact O-CB 3.33Å; V985-D989 PolarHBondContact O-N 2.89Å; V985-W998 HydrophobicContact CG1-CE3 4.48Å; V985-W998 HydrophobicContact CG1-CH2 4.44Å; V985-W998 HydrophobicContact CG1-CZ3 3.82Å; V985-I1000 HydrophobicContact CG2-CD1 3.25Å; V985-F1002 HydrophobicContact CG2-CE2 4.35Å; V985-L1008 HydrophobicContact CB-CD2 4.43Å; V985-L1008 HydrophobicContact CG1-CD2 3.33Å; V985-L1008 HydrophobicContact CG2-CD2 4.19Å
986	M	79.2	Confident	81.5	Confident	104 Å²	104	56.4 Å²	56.4	51%	0.512	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-30.4	-177.4	-70	-68	-111.9	0	0	111.9	K982 S983 D984 H990	K982-M986 HydrophobicContact CB-CB 4.09Å; S983-M986 PolarHBondContact O-N 2.94Å; S983-M986 WeakPolarHBondContact OG-CB 3.48Å; S983-M986 WeakPolarHBondContact OG-CG 3.35Å; S983-M986 PolarHBondContact OG-N 3.45Å; D984-M986 PolarHBondContact O-N 3.37Å; M986-H990 WeakPolarHBondContact O-CB 3.24Å; M986-H990 PolarHBondContact O-N 2.77Å
987	L	83.8	Confident	81	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-73.1	-45.9	177	-179.6	54.2	0	0	0	111.7	V979 K982 S983 D984 V985 H990 L991 Y1079 I1082 R1083	V979-L987 HydrophobicContact CG1-CD1 3.15Å; V979-L987 HydrophobicContact CG1-CG 4.47Å; K982-L987 HydrophobicContact CB-CB 4.31Å; S983-L987 WeakPolarHBondContact O-CB 3.42Å; S983-L987 PolarHBondContact O-N 3.16Å; D984-L987 PolarHBondContact O-N 2.84Å; V985-L987 PolarHBondContact O-N 2.66Å; L987-H990 PolarHBondContact O-N 3.09Å; L987-L991 HydrophobicContact CD1-CD1 3.89Å; L987-L991 HydrophobicContact CD1-CG 3.99Å; L987-L991 HydrophobicContact CG-CD1 3.96Å; L987-L991 HydrophobicContact CG-CG 4.46Å; L987-L991 WeakPolarHBondContact O-CB 3.39Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.41Å; L987-L991 PolarHBondContact O-N 3.02Å; L987-Y1079 HydrophobicContact CD2-CD2 3.65Å; L987-Y1079 HydrophobicContact CD2-CE2 4Å; L987-Y1079 HydrophobicContact CG-CD2 3.96Å; L987-Y1079 HydrophobicContact CG-CE2 4.48Å; L987-I1082 HydrophobicContact CD1-CD1 4.06Å; L987-I1082 HydrophobicContact CD2-CB 4.4Å; L987-I1082 HydrophobicContact CD2-CD1 4.39Å; L987-I1082 HydrophobicContact CD2-CG2 3.93Å; L987-R1083 VanDerWaalsContact CD2-CZ 3.45Å
988	L	83.6	Confident	80.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-42.9	179.4	-68.2	164.7	0	0	0	111.5	D984 V985 L991 G992 V993 W998 P999 Y1079	D984-L988 WeakPolarHBondContact O-CB 3.04Å; D984-L988 WeakPolarHBondContact O-CD1 3.25Å; D984-L988 WeakPolarHBondContact O-CG 3.24Å; D984-L988 PolarHBondContact O-N 3.23Å; V985-L988 PolarHBondContact O-N 3.41Å; L988-L991 PolarHBondContact O-N 3.26Å; L988-G992 PolarHBondContact O-N 3.26Å; L988-V993 HydrophobicContact CB-CB 4.27Å; L988-V993 HydrophobicContact CB-CG2 4.39Å; L988-V993 HydrophobicContact CD2-CB 4.18Å; L988-V993 HydrophobicContact CD2-CG1 4.29Å; L988-V993 HydrophobicContact CD2-CG2 3.77Å; L988-V993 PolarHBondContact O-N 3.41Å; L988-W998 HydrophobicContact CB-CD2 4.43Å; L988-W998 HydrophobicContact CB-CG 4.48Å; L988-W998 HydrophobicContact CD1-CG 4.36Å; L988-P999 HydrophobicContact CD1-CG 3.62Å; L988-Y1079 HydrophobicContact CD2-CD1 4.34Å; L988-Y1079 HydrophobicContact CD2-CD2 3.62Å; L988-Y1079 HydrophobicContact CD2-CE2 4.07Å; L988-Y1079 HydrophobicContact CD2-CG 3.77Å; L988-Y1079 HydrophobicContact CG-CD2 4.02Å; L988-Y1079 HydrophobicContact CG-CE2 4.13Å
989	D	83.8	Confident	79.4	Confident	92 Å²	92	46.6 Å²	46.6	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-46.3	172.5	-168.5	67.9	0	0	0	111.2	V985 L991 G992 W998	V985-D989 WeakPolarHBondContact O-CB 3.33Å; V985-D989 PolarHBondContact O-N 2.89Å; D989-L991 VanDerWaalsContact C-N 3.31Å; D989-L991 PolarHBondContact O-N 3.47Å; D989-G992 PolarHBondContact O-N 3.31Å; D989-W998 HydrophobicContact CB-CH2 3.68Å; D989-W998 HydrophobicContact CB-CZ2 3.67Å
990	H	84.3	Confident	78.2	Confident	79 Å²	79	48.2 Å²	48.2	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-34.2	178.5	179.5	73.7	0	0	0	113.7	K982 M986 L987 I1129	K982-H990 HydrophobicContact CD-CB 4.46Å; K982-H990 PolarHBondContact NZ-CE1 3.14Å; K982-H990 PolarHBondContact NZ-ND1 3.38Å; K982-H990 VanDerWaalsContact NZ-ND1 3.19Å; M986-H990 WeakPolarHBondContact O-CB 3.24Å; M986-H990 PolarHBondContact O-N 2.77Å; L987-H990 PolarHBondContact O-N 3.09Å; H990-I1129 WeakPolarHBondContact NE2-CG2 3.36Å
991	L	87.4	Confident	76.7	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.12	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.6	176.1	-68.4	172.7	0	0	0	112.7	L987 L988 D989 V993 P1075 T1078 I1082 F1122	L987-L991 HydrophobicContact CD1-CD1 3.89Å; L987-L991 HydrophobicContact CD1-CG 3.99Å; L987-L991 HydrophobicContact CG-CD1 3.96Å; L987-L991 HydrophobicContact CG-CG 4.46Å; L987-L991 WeakPolarHBondContact O-CB 3.39Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.41Å; L987-L991 PolarHBondContact O-N 3.02Å; L988-L991 PolarHBondContact O-N 3.26Å; D989-L991 VanDerWaalsContact C-N 3.31Å; D989-L991 PolarHBondContact O-N 3.47Å; L991-V993 VanDerWaalsContact C-N 3.34Å; L991-V993 HydrophobicContact CB-CG2 4.13Å; L991-P1075 HydrophobicContact CB-CB 4.48Å; L991-T1078 HydrophobicContact CD1-CG2 4.33Å; L991-T1078 HydrophobicContact CD2-CG2 3.67Å; L991-I1082 HydrophobicContact CD1-CD1 4.09Å; L991-I1082 HydrophobicContact CD2-CD1 4.24Å; L991-F1122 HydrophobicContact CD2-CE1 4.25Å
992	G	84	Confident	75.2	Confident	54 Å²	54	50.4 Å²	50.4	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	30.6	-177.2	0	0	0	0	0	113	L988 D989 D994	L988-G992 PolarHBondContact O-N 3.26Å; D989-G992 PolarHBondContact O-N 3.31Å; G992-D994 PolarHBondContact O-N 3.24Å
993	V	82.1	Confident	73.6	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.048	29%	0.292	C	S	.	.			trans	-68	129.5	173.2	-179	0	0	0	0	107.9	L988 L991 R995 F997 W998 P1075 I1076	L988-V993 HydrophobicContact CB-CB 4.27Å; L988-V993 HydrophobicContact CB-CG2 4.39Å; L988-V993 HydrophobicContact CD2-CB 4.18Å; L988-V993 HydrophobicContact CD2-CG1 4.29Å; L988-V993 HydrophobicContact CD2-CG2 3.77Å; L988-V993 PolarHBondContact O-N 3.41Å; L991-V993 VanDerWaalsContact C-N 3.34Å; L991-V993 HydrophobicContact CB-CG2 4.13Å; V993-R995 PolarHBondContact O-N 3.23Å; V993-F997 HydrophobicContact CG1-CB 3.91Å; V993-W998 PolarHBondContact O-NE1 3.17Å; V993-P1075 HydrophobicContact CG2-CB 3.59Å; V993-I1076 HydrophobicContact CG1-CD1 4.18Å; V993-I1076 HydrophobicContact CG1-CG1 3.8Å; V993-I1076 HydrophobicContact CG2-CG1 4.24Å
994	D	79.9	Confident	72.2	Confident	83 Å²	83	59.1 Å²	59.1	44%	0.444	31%	0.308	S	S	.	.			trans	-59.5	139.6	175.3	-89.8	-37.9	0	0	0	111.1	G992 E996 F997	G992-D994 PolarHBondContact O-N 3.24Å; D994-E996 PolarHBondContact O-N 2.81Å; D994-F997 HydrophobicContact CB-CD2 3.8Å; D994-F997 HydrophobicContact CB-CE2 4.02Å; D994-F997 PolarHBondContact O-N 2.88Å
995	R	75.7	Confident	70.9	Confident	164 Å²	164	63.9 Å²	63.9	62%	0.619	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-58	-25.5	-175.1	-71.9	-175	176.4	-169.3	-1.4	113.4	V993 F997 W998	V993-R995 PolarHBondContact O-N 3.23Å; R995-F997 PolarHBondContact O-N 3.4Å; R995-W998 HydrophobicContact CG-CD2 4.23Å; R995-W998 HydrophobicContact CG-CH2 4.38Å; R995-W998 HydrophobicContact CG-CZ2 4.01Å; R995-W998 WeakPolarHBondContact O-CB 3.49Å; R995-W998 PolarHBondContact O-N 2.71Å
996	E	74.4	Confident	69.7	Low	108 Å²	108	67.2 Å²	67.2	51%	0.505	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.3	175.4	-62.1	-175.2	175.2	0	0	112.9	D994 C1066	D994-E996 PolarHBondContact O-N 2.81Å; E996-C1066 WeakPolarHBondContact OE2-CB 3.47Å
997	F	76.7	Confident	68.5	Low	9 Å²	9	64.9 Å²	64.9	4%	0.039	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-100.4	5.7	176.3	-51.4	-65.5	0	0	0	113.3	V993 D994 R995 Y1022 V1056 C1066 W1068 N1072 I1076	V993-F997 HydrophobicContact CG1-CB 3.91Å; D994-F997 HydrophobicContact CB-CD2 3.8Å; D994-F997 HydrophobicContact CB-CE2 4.02Å; D994-F997 PolarHBondContact O-N 2.88Å; R995-F997 PolarHBondContact O-N 3.4Å; F997-Y1022 PolarHBondContact O-OH 3.4Å; F997-V1056 HydrophobicContact CD1-CG1 3.92Å; F997-V1056 HydrophobicContact CE1-CG1 3.85Å; F997-C1066 HydrophobicContact CZ-CB 4.42Å; F997-W1068 HydrophobicContact CD1-CE3 4.41Å; F997-W1068 HydrophobicContact CD1-CZ3 4.13Å; F997-W1068 AromaticContact CE1-CE3 3.88Å; F997-W1068 HydrophobicContact CE1-CE3 3.88Å; F997-W1068 HydrophobicContact CE1-CZ3 4.05Å; F997-W1068 HydrophobicContact CG-CZ3 4.47Å; F997-W1068 HydrophobicContact CZ-CE3 4.06Å; F997-W1068 HydrophobicContact CZ-CZ3 4.32Å; F997-N1072 HydrophobicContact CD2-CB 4.46Å; F997-N1072 HydrophobicContact CE2-CB 3.89Å; F997-N1072 WeakPolarHBondContact CE2-ND2 3.45Å; F997-N1072 HydrophobicContact CZ-CB 4.34Å; F997-I1076 HydrophobicContact CB-CD1 3.68Å; F997-I1076 HydrophobicContact CD2-CD1 4.3Å; F997-I1076 HydrophobicContact CG-CD1 3.92Å
998	W	72.4	Confident	67	Low	26 Å²	26	66.5 Å²	66.5	10%	0.098	36%	0.364	C	S	.	.			trans	-70.7	139.1	176.4	-73.5	22.8	0	0	0	109.5	V985 L988 D989 V993 R995 I1000 L1008	V985-W998 HydrophobicContact CG1-CE3 4.48Å; V985-W998 HydrophobicContact CG1-CH2 4.44Å; V985-W998 HydrophobicContact CG1-CZ3 3.82Å; L988-W998 HydrophobicContact CB-CD2 4.43Å; L988-W998 HydrophobicContact CB-CG 4.48Å; L988-W998 HydrophobicContact CD1-CG 4.36Å; D989-W998 HydrophobicContact CB-CH2 3.68Å; D989-W998 HydrophobicContact CB-CZ2 3.67Å; V993-W998 PolarHBondContact O-NE1 3.17Å; R995-W998 HydrophobicContact CG-CD2 4.23Å; R995-W998 HydrophobicContact CG-CH2 4.38Å; R995-W998 HydrophobicContact CG-CZ2 4.01Å; R995-W998 WeakPolarHBondContact O-CB 3.49Å; R995-W998 PolarHBondContact O-N 2.71Å; W998-I1000 PolarHBondContact O-N 3.19Å; W998-L1008 HydrophobicContact CZ3-CD2 3.91Å
999	P	58.6	Low	65.4	Low	3 Å²	3	73.4 Å²	73.4	2%	0.019	40%	0.401	C	S	.	.	S	Bend	trans	-75.5	23.7	-177	34.1	-36.7	0	0	0	113.8	L988 A1017 Y1021	L988-P999 HydrophobicContact CD1-CG 3.62Å; P999-A1017 HydrophobicContact CG-CB 4.14Å; P999-Y1021 VanDerWaalsContact CA-CD2 3.46Å; P999-Y1021 VanDerWaalsContact CA-CG 3.48Å; P999-Y1021 HydrophobicContact CB-CD1 3.73Å; P999-Y1021 HydrophobicContact CB-CD2 3.28Å; P999-Y1021 HydrophobicContact CB-CE1 4.41Å; P999-Y1021 HydrophobicContact CB-CE2 4.06Å; P999-Y1021 HydrophobicContact CB-CG 3.11Å; P999-Y1021 WeakPolarHBondContact O-CD2 2.93Å; P999-Y1021 WeakPolarHBondContact O-CE2 3.44Å
1000	I	56.8	Low	64.2	Low	36 Å²	36	74 Å²	74	19%	0.185	40%	0.399	C	S	.	.			trans	-145.1	116.1	-170.4	-41.4	-179.6	0	0	0	110.3	V985 W998 F1002 A1017	V985-I1000 HydrophobicContact CG2-CD1 3.25Å; W998-I1000 PolarHBondContact O-N 3.19Å; I1000-F1002 HydrophobicContact CB-CD2 4.13Å; I1000-F1002 HydrophobicContact CB-CE2 3.88Å; I1000-F1002 HydrophobicContact CD1-CE2 3.97Å; I1000-F1002 HydrophobicContact CD1-CZ 4.27Å; I1000-F1002 HydrophobicContact CG2-CD1 4.31Å; I1000-F1002 HydrophobicContact CG2-CD2 3.62Å; I1000-F1002 HydrophobicContact CG2-CE1 4.09Å; I1000-F1002 HydrophobicContact CG2-CE2 3.35Å; I1000-F1002 HydrophobicContact CG2-CG 4.12Å; I1000-F1002 HydrophobicContact CG2-CZ 3.64Å; I1000-F1002 PolarHBondContact O-N 2.88Å; I1000-A1017 HydrophobicContact CD1-CB 3.73Å; I1000-A1017 HydrophobicContact CG1-CB 3.94Å
1001	V	53.8	Low	62.6	Low	122 Å²	122	75.1 Å²	75.1	74%	0.739	41%	0.413	S	S	*	.			trans	-84.8	98.1	167	-173.5	0	0	0	0	107.5
1002	F	49.9	Very low	60.8	Low	54 Å²	54	77.6 Å²	77.6	24%	0.237	43%	0.432	C	S	.	.			trans	-89.2	123.3	165.7	-72.6	-73.6	0	0	0	109.1	V985 I1000 D1007 L1008 A1013	V985-F1002 HydrophobicContact CG2-CE2 4.35Å; I1000-F1002 HydrophobicContact CB-CD2 4.13Å; I1000-F1002 HydrophobicContact CB-CE2 3.88Å; I1000-F1002 HydrophobicContact CD1-CE2 3.97Å; I1000-F1002 HydrophobicContact CD1-CZ 4.27Å; I1000-F1002 HydrophobicContact CG2-CD1 4.31Å; I1000-F1002 HydrophobicContact CG2-CD2 3.62Å; I1000-F1002 HydrophobicContact CG2-CE1 4.09Å; I1000-F1002 HydrophobicContact CG2-CE2 3.35Å; I1000-F1002 HydrophobicContact CG2-CG 4.12Å; I1000-F1002 HydrophobicContact CG2-CZ 3.64Å; I1000-F1002 PolarHBondContact O-N 2.88Å; F1002-D1007 HydrophobicContact CD1-CB 3.57Å; F1002-D1007 HydrophobicContact CE1-CB 3.52Å; F1002-L1008 HydrophobicContact CD2-CD2 3.67Å; F1002-L1008 HydrophobicContact CD2-CG 3.87Å; F1002-L1008 HydrophobicContact CE2-CD2 3.23Å; F1002-L1008 HydrophobicContact CE2-CG 3.68Å; F1002-L1008 HydrophobicContact CG-CG 4.48Å; F1002-L1008 HydrophobicContact CZ-CD2 3.98Å; F1002-L1008 HydrophobicContact CZ-CG 4.12Å; F1002-A1013 HydrophobicContact CE1-CB 3.81Å; F1002-A1013 HydrophobicContact CZ-CB 3.6Å
1003	N	48.3	Very low	59.2	Low	158 Å²	158	75.7 Å²	75.7	85%	0.845	41%	0.411	S	S	*	.	S	Bend	trans	-72	-21.1	162.6	-73.9	-13.8	0	0	0	111.4
1004	D	47	Very low	57.5	Low	106 Å²	106	76.9 Å²	76.9	57%	0.567	42%	0.42	S	S	*	.			trans	-135.3	128	179.6	-101.8	-38.3	0	0	0	112.2	A1006 D1007	D1004-A1006 PolarHBondContact O-N 3.18Å; D1004-A1006 VanDerWaalsContact O-N 3.14Å; D1004-D1007 PolarHBondContact O-N 2.84Å
1005	T	50.8	Low	56	Low	104 Å²	104	78.9 Å²	78.9	64%	0.638	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-63.5	-16.8	176.4	50.7	0	0	0	0	113.2	D1007 L1008	T1005-D1007 VanDerWaalsContact C-N 3.26Å; T1005-D1007 PolarHBondContact O-N 3.29Å; T1005-L1008 WeakPolarHBondContact O-CD1 3.33Å
1006	A	51.9	Low	54.6	Low	77 Å²	77	74.4 Å²	74.4	64%	0.636	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.8	178.6	0	0	0	0	0	113.8	D1004	D1004-A1006 PolarHBondContact O-N 3.18Å; D1004-A1006 VanDerWaalsContact O-N 3.14Å
1007	D	53.8	Low	53.5	Low	55 Å²	55	69.3 Å²	69.3	29%	0.294	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-88	-7.3	-177.4	-78.7	-23.2	0	0	0	114.2	F1002 D1004 T1005 D1009 K1010	F1002-D1007 HydrophobicContact CD1-CB 3.57Å; F1002-D1007 HydrophobicContact CE1-CB 3.52Å; D1004-D1007 PolarHBondContact O-N 2.84Å; T1005-D1007 VanDerWaalsContact C-N 3.26Å; T1005-D1007 PolarHBondContact O-N 3.29Å; D1007-D1009 PolarHBondContact O-N 2.91Å; D1007-K1010 PolarHBondContact O-N 2.74Å; D1007-K1010 VanDerWaalsContact O-N 3.14Å; D1007-K1010 WeakPolarHBondContact OD1-CD 3.34Å; D1007-K1010 WeakPolarHBondContact OD1-CE 3.48Å; D1007-K1010 IonicContact OD1-NZ 2.7Å; D1007-K1010 PolarHBondContact OD1-NZ 3.07Å
1008	L	51.5	Low	52.3	Low	35 Å²	35	75.1 Å²	75.1	18%	0.183	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.7	179.4	-80.8	158.1	0	0	0	113.2	V985 W998 F1002 T1005	V985-L1008 HydrophobicContact CB-CD2 4.43Å; V985-L1008 HydrophobicContact CG1-CD2 3.33Å; V985-L1008 HydrophobicContact CG2-CD2 4.19Å; W998-L1008 HydrophobicContact CZ3-CD2 3.91Å; F1002-L1008 HydrophobicContact CD2-CD2 3.67Å; F1002-L1008 HydrophobicContact CD2-CG 3.87Å; F1002-L1008 HydrophobicContact CE2-CD2 3.23Å; F1002-L1008 HydrophobicContact CE2-CG 3.68Å; F1002-L1008 HydrophobicContact CG-CG 4.48Å; F1002-L1008 HydrophobicContact CZ-CD2 3.98Å; F1002-L1008 HydrophobicContact CZ-CG 4.12Å; T1005-L1008 WeakPolarHBondContact O-CD1 3.33Å
1009	D	51	Low	51.3	Low	146 Å²	146	81.1 Å²	81.1	78%	0.781	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	-178	-74.7	-28	0	0	0	113.9	D1007	D1007-D1009 PolarHBondContact O-N 2.91Å
1010	K	57.3	Low	51.5	Low	104 Å²	104	86.4 Å²	86.4	45%	0.452	47%	0.473	S	S	.	.			trans	-77.1	132.1	-179.2	-73.5	179.8	179.7	164.9	0	111.2	D1007 S1012 A1013	D1007-K1010 PolarHBondContact O-N 2.74Å; D1007-K1010 VanDerWaalsContact O-N 3.14Å; D1007-K1010 WeakPolarHBondContact OD1-CD 3.34Å; D1007-K1010 WeakPolarHBondContact OD1-CE 3.48Å; D1007-K1010 IonicContact OD1-NZ 2.7Å; D1007-K1010 PolarHBondContact OD1-NZ 3.07Å; K1010-S1012 PolarHBondContact O-N 2.85Å; K1010-S1012 VanDerWaalsContact O-N 3.1Å; K1010-A1013 PolarHBondContact O-N 3.46Å; K1010-A1013 VanDerWaalsContact O-N 3.1Å
1011	P	50.3	Low	52.1	Low	102 Å²	102	86.3 Å²	86.3	66%	0.662	47%	0.471	S	S	*	.	H	α-helix	trans	-56.3	-28.9	175.5	-24.6	32.2	0	0	0	113.9	C1014 I1015	P1011-C1014 WeakPolarHBondContact O-CB 3.41Å; P1011-C1014 PolarHBondContact O-N 2.96Å; P1011-I1015 PolarHBondContact O-N 3.37Å
1012	S	49.6	Very low	53.5	Low	76 Å²	76	80.9 Å²	80.9	53%	0.531	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-39.5	178.2	49.1	0	0	0	0	112.5	K1010 C1014 I1015 T1016	K1010-S1012 PolarHBondContact O-N 2.85Å; K1010-S1012 VanDerWaalsContact O-N 3.1Å; S1012-C1014 PolarHBondContact O-N 2.81Å; S1012-I1015 PolarHBondContact O-N 2.92Å; S1012-T1016 PolarHBondContact O-N 2.84Å; S1012-T1016 PolarHBondContact O-OG1 3.4Å; S1012-T1016 VanDerWaalsContact O-OG1 3.05Å
1013	A	50.9	Low	55.2	Low	14 Å²	14	79.9 Å²	79.9	12%	0.116	44%	0.437	C	S	.	.	H	α-helix	trans	-65.9	-31.5	176.5	0	0	0	0	0	112	F1002 K1010 I1015 T1016 A1017	F1002-A1013 HydrophobicContact CE1-CB 3.81Å; F1002-A1013 HydrophobicContact CZ-CB 3.6Å; K1010-A1013 PolarHBondContact O-N 3.46Å; K1010-A1013 VanDerWaalsContact O-N 3.1Å; A1013-I1015 PolarHBondContact O-N 2.95Å; A1013-T1016 PolarHBondContact O-N 3.35Å; A1013-A1017 PolarHBondContact O-N 3.16Å
1014	C	47.8	Very low	57.1	Low	33 Å²	33	75.7 Å²	75.7	22%	0.223	41%	0.412	C	S	.	.	H	α-helix	trans	-69.3	-28.2	-179.9	-61.9	0	0	0	0	113.8	S983 P1011 S1012	S983-C1014 WeakPolarHBondContact CB-SG 3.21Å; P1011-C1014 WeakPolarHBondContact O-CB 3.41Å; P1011-C1014 PolarHBondContact O-N 2.96Å; S1012-C1014 PolarHBondContact O-N 2.81Å
1015	I	47.1	Very low	59.2	Low	124 Å²	124	70.7 Å²	70.7	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-82.3	-34.3	179	-64.2	172.1	0	0	0	110.7	P1011 S1012 A1013	P1011-I1015 PolarHBondContact O-N 3.37Å; S1012-I1015 PolarHBondContact O-N 2.92Å; A1013-I1015 PolarHBondContact O-N 2.95Å
1016	T	47.1	Very low	61.1	Low	71 Å²	71	66.4 Å²	66.4	44%	0.436	36%	0.358	S	S	.	.	H	α-helix	trans	-71.4	-37.3	-174.3	-48.4	0	0	0	0	112.9	S1012 A1013 R1018 M1019 Q1020	S1012-T1016 PolarHBondContact O-N 2.84Å; S1012-T1016 PolarHBondContact O-OG1 3.4Å; S1012-T1016 VanDerWaalsContact O-OG1 3.05Å; A1013-T1016 PolarHBondContact O-N 3.35Å; T1016-R1018 VanDerWaalsContact C-N 3.34Å; T1016-R1018 PolarHBondContact O-N 3.48Å; T1016-M1019 PolarHBondContact O-N 3.14Å; T1016-Q1020 PolarHBondContact O-N 2.81Å
1017	A	51.5	Low	62.9	Low	1 Å²	1	67.3 Å²	67.3	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-43.2	-178.4	0	0	0	0	0	113	D984 P999 I1000 A1013 M1019 Q1020	D984-A1017 HydrophobicContact CB-CB 3.62Å; D984-A1017 WeakPolarHBondContact OD2-CB 3.41Å; P999-A1017 HydrophobicContact CG-CB 4.14Å; I1000-A1017 HydrophobicContact CD1-CB 3.73Å; I1000-A1017 HydrophobicContact CG1-CB 3.94Å; A1013-A1017 PolarHBondContact O-N 3.16Å; A1017-M1019 PolarHBondContact O-N 2.75Å; A1017-Q1020 PolarHBondContact O-N 2.76Å
1018	R	51.2	Low	64.9	Low	130 Å²	130	65 Å²	65	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-30	-179	-148.9	178.1	-176.8	-177.5	1	113.4	D984 T1016	D984-R1018 VanDerWaalsContact OD2-CA 3.28Å; D984-R1018 WeakPolarHBondContact OD2-CA 3.4Å; D984-R1018 VanDerWaalsContact OD2-CB 3.29Å; D984-R1018 WeakPolarHBondContact OD2-CB 3.47Å; D984-R1018 PolarHBondContact OD2-N 3.02Å; T1016-R1018 VanDerWaalsContact C-N 3.34Å; T1016-R1018 PolarHBondContact O-N 3.48Å
1019	M	51.6	Low	66.9	Low	153 Å²	153	63.5 Å²	63.5	75%	0.754	33%	0.332	S	S	*	.	H	α-helix	trans	-91.3	-24.6	-173.1	-72.4	-65.4	-167.5	0	0	113.6	T1016 A1017	T1016-M1019 PolarHBondContact O-N 3.14Å; A1017-M1019 PolarHBondContact O-N 2.75Å
1020	Q	61.8	Low	69	Low	113 Å²	113	60.5 Å²	60.5	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-97.7	-39.8	-172.1	-74	-174.7	-16.7	0	0	114.2	T1016 A1017	T1016-Q1020 PolarHBondContact O-N 2.81Å; A1017-Q1020 PolarHBondContact O-N 2.76Å
1021	Y	70.5	Confident	70.7	Confident	34 Å²	34	61.1 Å²	61.1	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-117.6	141.6	-171.7	-73.9	-110.1	0	0	0	112.9	P999 S1023 N1059	P999-Y1021 VanDerWaalsContact CA-CD2 3.46Å; P999-Y1021 VanDerWaalsContact CA-CG 3.48Å; P999-Y1021 HydrophobicContact CB-CD1 3.73Å; P999-Y1021 HydrophobicContact CB-CD2 3.28Å; P999-Y1021 HydrophobicContact CB-CE1 4.41Å; P999-Y1021 HydrophobicContact CB-CE2 4.06Å; P999-Y1021 HydrophobicContact CB-CG 3.11Å; P999-Y1021 WeakPolarHBondContact O-CD2 2.93Å; P999-Y1021 WeakPolarHBondContact O-CE2 3.44Å; Y1021-S1023 PolarHBondContact O-N 2.92Å; Y1021-N1059 HydrophobicContact CE1-CB 3.52Å; Y1021-N1059 WeakPolarHBondContact CE1-ND2 3.39Å; Y1021-N1059 PolarHBondContact OH-OD1 2.66Å
1022	Y	82.3	Confident	72.8	Confident	8 Å²	8	56.2 Å²	56.2	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	56.6	4.1	-178.4	-47.5	-70.2	0	0	0	115.4	F997 K1024 A1025 I1026 V1052 C1055 V1056 I1076 Y1079 V1080	F997-Y1022 PolarHBondContact O-OH 3.4Å; Y1022-K1024 VanDerWaalsContact C-N 3.29Å; Y1022-K1024 PolarHBondContact O-N 2.97Å; Y1022-A1025 WeakPolarHBondContact O-CA 3.46Å; Y1022-A1025 WeakPolarHBondContact O-CB 3.3Å; Y1022-A1025 PolarHBondContact O-N 3.22Å; Y1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; Y1022-I1026 PolarHBondContact O-N 3.32Å; Y1022-V1052 HydrophobicContact CD1-CG1 4.5Å; Y1022-V1052 HydrophobicContact CD1-CG2 4.4Å; Y1022-V1052 HydrophobicContact CE1-CG1 4.21Å; Y1022-C1055 HydrophobicContact CD1-CB 3.73Å; Y1022-C1055 HydrophobicContact CE1-CB 3.74Å; Y1022-C1055 PolarHBondContact N-SG 3.14Å; Y1022-C1055 VanDerWaalsContact N-SG 3.4Å; Y1022-V1056 HydrophobicContact CE1-CG2 4.23Å; Y1022-I1076 HydrophobicContact CD1-CG2 4.29Å; Y1022-I1076 HydrophobicContact CE1-CG2 3.71Å; Y1022-I1076 HydrophobicContact CE2-CG2 4.31Å; Y1022-Y1079 HydrophobicContact CD2-CD1 4.22Å; Y1022-Y1079 AromaticContact CD2-CE1 3.95Å; Y1022-Y1079 HydrophobicContact CD2-CE1 3.95Å; Y1022-V1080 HydrophobicContact CG-CG2 4.33Å
1023	S	85.8	Confident	74.7	Confident	34 Å²	34	56.2 Å²	56.2	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-53.9	-45.8	178.3	55.6	0	0	0	0	111.6	Y1021 A1025 I1026 D1027	Y1021-S1023 PolarHBondContact O-N 2.92Å; S1023-A1025 VanDerWaalsContact C-N 3.31Å; S1023-A1025 PolarHBondContact O-N 2.95Å; S1023-I1026 PolarHBondContact O-N 3.22Å; S1023-D1027 WeakPolarHBondContact O-CB 3.02Å; S1023-D1027 VanDerWaalsContact O-CG 3.22Å; S1023-D1027 PolarHBondContact O-N 3.45Å
1024	K	88.3	Confident	76.5	Confident	70 Å²	70	59.5 Å²	59.5	30%	0.304	30%	0.303	S	S	.	.	H	α-helix	trans	-58.2	-39.9	174	-61.7	179.9	-172	169.1	0	112.8	R272 Y1022 C1028 H1051	R272-K1024 VanDerWaalsContact CZ-CE 3.47Å; Y1022-K1024 VanDerWaalsContact C-N 3.29Å; Y1022-K1024 PolarHBondContact O-N 2.97Å; K1024-C1028 WeakPolarHBondContact O-CB 3.01Å; K1024-C1028 PolarHBondContact O-N 3.44Å; K1024-H1051 HydrophobicContact CB-CB 4.4Å
1025	A	90.4	Very high	78.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-43.1	178.3	0	0	0	0	0	111.3	Y1022 S1023 C1028 F1029 T1048 H1051 V1052 V1080	Y1022-A1025 WeakPolarHBondContact O-CA 3.46Å; Y1022-A1025 WeakPolarHBondContact O-CB 3.3Å; Y1022-A1025 PolarHBondContact O-N 3.22Å; S1023-A1025 VanDerWaalsContact C-N 3.31Å; S1023-A1025 PolarHBondContact O-N 2.95Å; A1025-C1028 PolarHBondContact O-N 3.1Å; A1025-F1029 WeakPolarHBondContact O-CB 3.5Å; A1025-F1029 PolarHBondContact O-N 3.11Å; A1025-T1048 HydrophobicContact CB-CG2 4.27Å; A1025-H1051 HydrophobicContact CB-CB 3.67Å; A1025-V1052 HydrophobicContact CB-CG2 3.83Å; A1025-V1080 HydrophobicContact CB-CG1 4.16Å; A1025-V1080 HydrophobicContact CB-CG2 4.37Å
1026	I	91.1	Very high	80.2	Confident	14 Å²	14	57.2 Å²	57.2	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-50.5	177.1	-66.9	162.9	0	0	0	110.3	Y1022 S1023 C1028 F1029 Q1030 Y1079 V1080 R1083 A1084	Y1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; Y1022-I1026 PolarHBondContact O-N 3.32Å; S1023-I1026 PolarHBondContact O-N 3.22Å; I1026-C1028 VanDerWaalsContact C-N 3.33Å; I1026-C1028 PolarHBondContact O-N 3.03Å; I1026-F1029 PolarHBondContact O-N 2.78Å; I1026-Q1030 WeakPolarHBondContact O-CG 3.38Å; I1026-Q1030 PolarHBondContact O-N 2.83Å; I1026-Y1079 HydrophobicContact CD1-CE1 4.43Å; I1026-V1080 HydrophobicContact CG1-CG1 4.08Å; I1026-R1083 HydrophobicContact CD1-CB 3.66Å; I1026-R1083 HydrophobicContact CD1-CG 4.33Å; I1026-R1083 HydrophobicContact CG1-CB 4.04Å; I1026-R1083 HydrophobicContact CG2-CB 4.4Å; I1026-A1084 HydrophobicContact CG2-CB 4.31Å
1027	D	91.3	Very high	81.9	Confident	96 Å²	96	54 Å²	54	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-40.7	179.7	-67.7	-15.6	0	0	0	111.4	S1023	S1023-D1027 WeakPolarHBondContact O-CB 3.02Å; S1023-D1027 VanDerWaalsContact O-CG 3.22Å; S1023-D1027 PolarHBondContact O-N 3.45Å
1028	C	94.4	Very high	83.3	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-50.5	174.7	-177.3	0	0	0	0	110.7	K1024 A1025 I1026 Q1030 R1031 I1044	K1024-C1028 WeakPolarHBondContact O-CB 3.01Å; K1024-C1028 PolarHBondContact O-N 3.44Å; A1025-C1028 PolarHBondContact O-N 3.1Å; I1026-C1028 VanDerWaalsContact C-N 3.33Å; I1026-C1028 PolarHBondContact O-N 3.03Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.41Å; C1028-R1031 VanDerWaalsContact O-CB 3.28Å; C1028-R1031 WeakPolarHBondContact O-CB 3.38Å; C1028-R1031 PolarHBondContact O-N 3.47Å; C1028-I1044 WeakPolarHBondContact O-CG2 3.49Å
1029	F	94.8	Very high	84.5	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-32.3	-176.3	-162.2	-121.6	0	0	0	113	A1025 I1026 R1031 L1032 I1045 T1048 L1081 A1084 I1086 L1089 L1116	A1025-F1029 WeakPolarHBondContact O-CB 3.5Å; A1025-F1029 PolarHBondContact O-N 3.11Å; I1026-F1029 PolarHBondContact O-N 2.78Å; F1029-R1031 PolarHBondContact O-N 3.44Å; F1029-L1032 HydrophobicContact CE2-CD2 3.96Å; F1029-L1032 HydrophobicContact CZ-CD2 4.02Å; F1029-L1032 WeakPolarHBondContact O-CB 3.46Å; F1029-L1032 PolarHBondContact O-N 3.43Å; F1029-I1045 HydrophobicContact CE2-CG1 4.3Å; F1029-T1048 HydrophobicContact CB-CG2 3.85Å; F1029-T1048 HydrophobicContact CD2-CG2 4.04Å; F1029-T1048 HydrophobicContact CG-CG2 4.18Å; F1029-T1048 PolarHBondContact N-OG1 2.96Å; F1029-L1081 HydrophobicContact CE1-CG 4.23Å; F1029-A1084 HydrophobicContact CB-CB 4.23Å; F1029-A1084 HydrophobicContact CD1-CB 3.63Å; F1029-A1084 HydrophobicContact CG-CB 4.42Å; F1029-I1086 HydrophobicContact CD1-CD1 4.22Å; F1029-I1086 HydrophobicContact CD1-CG1 3.72Å; F1029-I1086 HydrophobicContact CE1-CD1 4.48Å; F1029-I1086 HydrophobicContact CE1-CG1 3.57Å; F1029-I1086 HydrophobicContact CZ-CG1 4.43Å; F1029-I1086 WeakPolarHBondContact O-CD1 3.48Å; F1029-L1089 HydrophobicContact CE1-CD1 4.32Å; F1029-L1089 HydrophobicContact CZ-CD1 3.86Å; F1029-L1116 HydrophobicContact CE1-CD1 4.35Å; F1029-L1116 HydrophobicContact CE2-CD1 4.04Å; F1029-L1116 HydrophobicContact CE2-CD2 3.83Å; F1029-L1116 HydrophobicContact CZ-CD1 3.61Å; F1029-L1116 HydrophobicContact CZ-CD2 3.84Å; F1029-L1116 HydrophobicContact CZ-CG 4.29Å
1030	Q	94.4	Very high	85.9	Confident	83 Å²	83	45 Å²	45	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-56.5	-29.2	174	-77.8	177	-15	0	0	113.6	I1026 C1028 L1032 S1033 A1084	I1026-Q1030 WeakPolarHBondContact O-CG 3.38Å; I1026-Q1030 PolarHBondContact O-N 2.83Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.41Å; Q1030-L1032 PolarHBondContact O-N 2.68Å; Q1030-S1033 PolarHBondContact O-OG 3.19Å; Q1030-A1084 HydrophobicContact CG-CB 4.1Å; Q1030-A1084 WeakPolarHBondContact CG-O 3.49Å; Q1030-A1084 PolarHBondContact NE2-O 2.68Å
1031	R	93.9	Very high	87.1	Confident	117 Å²	117	39.6 Å²	39.6	44%	0.442	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.6	-17.8	178.2	-62	170.8	59.3	-167.2	-6.5	113.3	C1028 F1029 S1033 S1034 I1044	C1028-R1031 VanDerWaalsContact O-CB 3.28Å; C1028-R1031 WeakPolarHBondContact O-CB 3.38Å; C1028-R1031 PolarHBondContact O-N 3.47Å; F1029-R1031 PolarHBondContact O-N 3.44Å; R1031-S1033 PolarHBondContact O-N 3.28Å; R1031-S1033 VanDerWaalsContact O-N 3.11Å; R1031-S1034 PolarHBondContact O-N 3.49Å; R1031-S1034 PolarHBondContact O-OG 2.94Å; R1031-I1044 HydrophobicContact CB-CD1 3.84Å; R1031-I1044 HydrophobicContact CB-CG1 4.47Å
1032	L	92.9	Very high	87.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52.6	-38.3	-177.8	-172.4	71.8	0	0	0	113	F1029 Q1030 S1034 K1041 I1044 I1045 L1089 E1092 I1096	F1029-L1032 HydrophobicContact CE2-CD2 3.96Å; F1029-L1032 HydrophobicContact CZ-CD2 4.02Å; F1029-L1032 WeakPolarHBondContact O-CB 3.46Å; F1029-L1032 PolarHBondContact O-N 3.43Å; Q1030-L1032 PolarHBondContact O-N 2.68Å; L1032-S1034 VanDerWaalsContact C-N 3.31Å; L1032-S1034 PolarHBondContact O-N 3.05Å; L1032-K1041 HydrophobicContact CD1-CB 3.74Å; L1032-K1041 HydrophobicContact CD1-CG 4.12Å; L1032-K1041 VanDerWaalsContact CD1-O 3.29Å; L1032-K1041 WeakPolarHBondContact CD1-O 3.38Å; L1032-K1041 PolarHBondContact O-NZ 2.73Å; L1032-I1044 HydrophobicContact CB-CG2 4.22Å; L1032-I1044 HydrophobicContact CD1-CB 4.49Å; L1032-I1044 HydrophobicContact CD1-CG2 4.34Å; L1032-I1045 HydrophobicContact CD1-CD1 4.41Å; L1032-I1045 HydrophobicContact CD1-CG1 4.15Å; L1032-L1089 HydrophobicContact CD2-CD1 3.94Å; L1032-E1092 HydrophobicContact CD2-CB 4.13Å; L1032-E1092 HydrophobicContact CD2-CG 4.37Å; L1032-I1096 HydrophobicContact CD1-CD1 4.04Å
1033	S	89.4	Confident	87.5	Confident	76 Å²	76	43.4 Å²	43.4	53%	0.531	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-75.9	-16.4	-179	65.5	0	0	0	0	114.4	Q1030 R1031	Q1030-S1033 PolarHBondContact O-OG 3.19Å; R1031-S1033 PolarHBondContact O-N 3.28Å; R1031-S1033 VanDerWaalsContact O-N 3.11Å
1034	S	88.3	Confident	87.7	Confident	83 Å²	83	42 Å²	42	58%	0.58	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-19.7	180	66.6	0	0	0	0	113.6	R1031 L1032	R1031-S1034 PolarHBondContact O-N 3.49Å; R1031-S1034 PolarHBondContact O-OG 2.94Å; L1032-S1034 VanDerWaalsContact C-N 3.31Å; L1032-S1034 PolarHBondContact O-N 3.05Å
1035	E	88	Confident	87.7	Confident	52 Å²	52	38.9 Å²	38.9	24%	0.243	20%	0.199	C	C	.	.			trans	-88.6	153.1	178.4	-62.8	-55.7	155.2	0	0	111.9	D1040 K1041 I1044	E1035-D1040 HydrophobicContact CB-CB 4.43Å; E1035-D1040 HydrophobicContact CG-CB 4.25Å; E1035-K1041 HydrophobicContact CB-CG 3.86Å; E1035-K1041 WeakPolarHBondContact O-CE 3.13Å; E1035-K1041 PolarHBondContact O-NZ 3.45Å; E1035-I1044 HydrophobicContact CB-CD1 4.28Å; E1035-I1044 HydrophobicContact CG-CD1 3.36Å
1036	F	85.7	Confident	87.5	Confident	56 Å²	56	40.3 Å²	40.3	25%	0.246	21%	0.211	C	C	.	.			trans	-117.3	-22.1	173	66.1	-90.3	0	0	0	113	C946 L950 Q951 Y954 F1095	C946-F1036 HydrophobicContact CB-CE2 4.04Å; C946-F1036 WeakPolarHBondContact O-CE2 3.24Å; L950-F1036 HydrophobicContact CG-CD2 4.41Å; Q951-F1036 HydrophobicContact CB-CE2 4Å; Q951-F1036 HydrophobicContact CB-CZ 4.15Å; Q951-F1036 HydrophobicContact CG-CE2 4.5Å; Q951-F1036 HydrophobicContact CG-CZ 4.24Å; Y954-F1036 HydrophobicContact CD1-CB 3.48Å; Y954-F1036 VanDerWaalsContact CD1-CB 3.48Å; Y954-F1036 HydrophobicContact CD2-CB 4.13Å; Y954-F1036 HydrophobicContact CE1-CB 3.54Å; Y954-F1036 HydrophobicContact CE2-CB 4.21Å; Y954-F1036 HydrophobicContact CG-CB 3.78Å; F1036-F1095 WeakPolarHBondContact O-CE1 3.1Å
1037	S	82.6	Confident	87.4	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.021	22%	0.224	C	C	.	.			trans	-70.3	123.9	177.1	162.7	0	0	0	0	109.7	I1039 D1040 K1041	S1037-I1039 PolarHBondContact O-N 2.94Å; S1037-D1040 WeakPolarHBondContact CB-OD2 3.41Å; S1037-D1040 PolarHBondContact O-N 2.74Å; S1037-D1040 PolarHBondContact OG-N 3.15Å; S1037-D1040 PolarHBondContact OG-OD2 3.02Å; S1037-K1041 WeakPolarHBondContact O-CG 3.43Å; S1037-K1041 PolarHBondContact O-N 3.24Å
1038	P	80.5	Confident	87.4	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-37.3	177.1	-23.8	31.1	0	0	0	112	L950 F1042 F1095 F1099	L950-P1038 HydrophobicContact CD2-CG 4.13Å; P1038-F1042 VanDerWaalsContact O-CB 3.27Å; P1038-F1042 WeakPolarHBondContact O-CB 3.38Å; P1038-F1042 PolarHBondContact O-N 2.65Å; P1038-F1095 HydrophobicContact CB-CE1 4.32Å; P1038-F1095 HydrophobicContact CG-CE1 3.82Å; P1038-F1095 HydrophobicContact CG-CZ 3.74Å; P1038-F1099 HydrophobicContact CB-CB 3.97Å; P1038-F1099 HydrophobicContact CG-CB 3.61Å
1039	I	75.9	Confident	87.2	Confident	28 Å²	28	38.8 Å²	38.8	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-42.9	179.4	-61.2	-166.1	0	0	0	111.1	L938 S942 S1037 F1042 K1043 P1101	L938-I1039 HydrophobicContact CD2-CD1 4.22Å; S942-I1039 WeakPolarHBondContact OG-CD1 3.35Å; S942-I1039 WeakPolarHBondContact OG-CG1 3.12Å; S1037-I1039 PolarHBondContact O-N 2.94Å; I1039-F1042 CarbonylContact O-C 3.56Å; I1039-F1042 WeakPolarHBondContact O-CA 3.42Å; I1039-F1042 WeakPolarHBondContact O-CB 3.45Å; I1039-F1042 PolarHBondContact O-N 3.03Å; I1039-F1042 VanDerWaalsContact O-N 3.1Å; I1039-K1043 HydrophobicContact CG2-CD 4.38Å; I1039-K1043 HydrophobicContact CG2-CG 4.44Å; I1039-K1043 WeakPolarHBondContact O-CG 3.46Å; I1039-K1043 PolarHBondContact O-N 3.35Å; I1039-P1101 HydrophobicContact CD1-CG 4.32Å; I1039-P1101 HydrophobicContact CG1-CG 4.36Å
1040	D	82.3	Confident	86.9	Confident	62 Å²	62	43.4 Å²	43.4	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-69.7	-37.8	179.9	-61.1	-47.7	0	0	0	111.1	E1035 S1037 F1042 K1043 I1044	E1035-D1040 HydrophobicContact CB-CB 4.43Å; E1035-D1040 HydrophobicContact CG-CB 4.25Å; S1037-D1040 WeakPolarHBondContact CB-OD2 3.41Å; S1037-D1040 PolarHBondContact O-N 2.74Å; S1037-D1040 PolarHBondContact OG-N 3.15Å; S1037-D1040 PolarHBondContact OG-OD2 3.02Å; D1040-F1042 PolarHBondContact O-N 2.98Å; D1040-K1043 PolarHBondContact O-N 3.37Å; D1040-I1044 WeakPolarHBondContact O-CG1 3.34Å; D1040-I1044 PolarHBondContact O-N 2.93Å
1041	K	87.3	Confident	86.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-39.7	168.3	-72	-177.3	-174.1	-76	0	111.6	Y954 L1032 E1035 S1037 I1044 I1045 E1092 F1095 I1096	Y954-K1041 WeakPolarHBondContact OH-CE 3.36Å; Y954-K1041 PolarHBondContact OH-NZ 2.87Å; L1032-K1041 HydrophobicContact CD1-CB 3.74Å; L1032-K1041 HydrophobicContact CD1-CG 4.12Å; L1032-K1041 VanDerWaalsContact CD1-O 3.29Å; L1032-K1041 WeakPolarHBondContact CD1-O 3.38Å; L1032-K1041 PolarHBondContact O-NZ 2.73Å; E1035-K1041 HydrophobicContact CB-CG 3.86Å; E1035-K1041 WeakPolarHBondContact O-CE 3.13Å; E1035-K1041 PolarHBondContact O-NZ 3.45Å; S1037-K1041 WeakPolarHBondContact O-CG 3.43Å; S1037-K1041 PolarHBondContact O-N 3.24Å; K1041-I1044 PolarHBondContact O-N 3.48Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.34Å; K1041-I1045 PolarHBondContact O-N 3.07Å; K1041-E1092 WeakPolarHBondContact CE-OE2 3.48Å; K1041-E1092 IonicContact NZ-OE1 2.65Å; K1041-E1092 PolarHBondContact NZ-OE1 2.98Å; K1041-E1092 VanDerWaalsContact NZ-OE1 3.1Å; K1041-E1092 IonicContact NZ-OE2 3.2Å; K1041-E1092 PolarHBondContact NZ-OE2 2.75Å; K1041-F1095 HydrophobicContact CD-CD1 3.94Å; K1041-F1095 HydrophobicContact CD-CE1 4.02Å; K1041-I1096 HydrophobicContact CB-CD1 3.79Å; K1041-I1096 HydrophobicContact CB-CG1 3.95Å; K1041-I1096 HydrophobicContact CD-CD1 4.24Å; K1041-I1096 HydrophobicContact CD-CG1 4.02Å
1042	F	79.9	Confident	86.4	Confident	32 Å²	32	35.1 Å²	35.1	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-39.2	178.2	-159.4	-110.4	0	0	0	112.9	P1038 I1039 D1040 I1044 I1045 A1046 I1096 A1100 L1103 I1109 F1113	P1038-F1042 VanDerWaalsContact O-CB 3.27Å; P1038-F1042 WeakPolarHBondContact O-CB 3.38Å; P1038-F1042 PolarHBondContact O-N 2.65Å; I1039-F1042 CarbonylContact O-C 3.56Å; I1039-F1042 WeakPolarHBondContact O-CA 3.42Å; I1039-F1042 WeakPolarHBondContact O-CB 3.45Å; I1039-F1042 PolarHBondContact O-N 3.03Å; I1039-F1042 VanDerWaalsContact O-N 3.1Å; D1040-F1042 PolarHBondContact O-N 2.98Å; F1042-I1044 VanDerWaalsContact C-N 3.32Å; F1042-I1044 PolarHBondContact O-N 3.02Å; F1042-I1045 WeakPolarHBondContact O-CB 3.37Å; F1042-I1045 PolarHBondContact O-N 2.88Å; F1042-I1045 VanDerWaalsContact O-N 3.13Å; F1042-A1046 PolarHBondContact O-N 2.82Å; F1042-I1096 HydrophobicContact CD2-CG2 3.72Å; F1042-I1096 HydrophobicContact CE2-CG2 4.36Å; F1042-A1100 HydrophobicContact CD2-CB 4.2Å; F1042-A1100 HydrophobicContact CE2-CB 4.44Å; F1042-L1103 HydrophobicContact CE2-CD2 3.9Å; F1042-L1103 HydrophobicContact CZ-CD2 3.74Å; F1042-I1109 HydrophobicContact CD1-CG2 4.21Å; F1042-I1109 HydrophobicContact CE1-CG2 3.22Å; F1042-I1109 HydrophobicContact CE2-CG2 4.28Å; F1042-I1109 HydrophobicContact CZ-CG2 3.26Å; F1042-F1113 HydrophobicContact CE2-CB 4.48Å; F1042-F1113 HydrophobicContact CE2-CD2 4.41Å; F1042-F1113 HydrophobicContact CE2-CG 4.47Å
1043	K	81.6	Confident	86	Confident	90 Å²	90	37.9 Å²	37.9	39%	0.391	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-41	172.3	-75.4	178	175.1	-177.7	0	111.6	E939 I1039 D1040 I1045 A1046 E1047	E939-K1043 IonicContact OE1-NZ 2.71Å; E939-K1043 PolarHBondContact OE1-NZ 2.95Å; I1039-K1043 HydrophobicContact CG2-CD 4.38Å; I1039-K1043 HydrophobicContact CG2-CG 4.44Å; I1039-K1043 WeakPolarHBondContact O-CG 3.46Å; I1039-K1043 PolarHBondContact O-N 3.35Å; D1040-K1043 PolarHBondContact O-N 3.37Å; K1043-I1045 VanDerWaalsContact C-N 3.29Å; K1043-I1045 PolarHBondContact O-N 2.82Å; K1043-A1046 PolarHBondContact O-N 3.48Å; K1043-E1047 WeakPolarHBondContact O-CB 3.36Å; K1043-E1047 PolarHBondContact O-N 2.86Å
1044	I	89.3	Confident	85.8	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-40.9	174.1	-71.5	166.3	0	0	0	111.2	C1028 R1031 L1032 E1035 D1040 K1041 F1042 T1048	C1028-I1044 WeakPolarHBondContact O-CG2 3.49Å; R1031-I1044 HydrophobicContact CB-CD1 3.84Å; R1031-I1044 HydrophobicContact CB-CG1 4.47Å; L1032-I1044 HydrophobicContact CB-CG2 4.22Å; L1032-I1044 HydrophobicContact CD1-CB 4.49Å; L1032-I1044 HydrophobicContact CD1-CG2 4.34Å; E1035-I1044 HydrophobicContact CB-CD1 4.28Å; E1035-I1044 HydrophobicContact CG-CD1 3.36Å; D1040-I1044 WeakPolarHBondContact O-CG1 3.34Å; D1040-I1044 PolarHBondContact O-N 2.93Å; K1041-I1044 PolarHBondContact O-N 3.48Å; F1042-I1044 VanDerWaalsContact C-N 3.32Å; F1042-I1044 PolarHBondContact O-N 3.02Å; I1044-T1048 VanDerWaalsContact O-CB 3.31Å; I1044-T1048 WeakPolarHBondContact O-CB 3.43Å; I1044-T1048 PolarHBondContact O-N 2.9Å; I1044-T1048 PolarHBondContact O-OG1 2.9Å
1045	I	88.2	Confident	85.5	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-50.8	175.8	-65.4	171.2	0	0	0	109.8	F1029 L1032 K1041 F1042 K1043 E1047 T1048 F1049 I1096 F1113 L1116	F1029-I1045 HydrophobicContact CE2-CG1 4.3Å; L1032-I1045 HydrophobicContact CD1-CD1 4.41Å; L1032-I1045 HydrophobicContact CD1-CG1 4.15Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.34Å; K1041-I1045 PolarHBondContact O-N 3.07Å; F1042-I1045 WeakPolarHBondContact O-CB 3.37Å; F1042-I1045 PolarHBondContact O-N 2.88Å; F1042-I1045 VanDerWaalsContact O-N 3.13Å; K1043-I1045 VanDerWaalsContact C-N 3.29Å; K1043-I1045 PolarHBondContact O-N 2.82Å; I1045-E1047 PolarHBondContact O-N 2.78Å; I1045-T1048 WeakPolarHBondContact O-CB 3.49Å; I1045-T1048 PolarHBondContact O-N 2.99Å; I1045-F1049 HydrophobicContact CG2-CD2 4.03Å; I1045-F1049 HydrophobicContact CG2-CE2 3.97Å; I1045-F1049 WeakPolarHBondContact O-CD2 3.41Å; I1045-F1049 PolarHBondContact O-N 3.03Å; I1045-F1049 VanDerWaalsContact O-N 3.14Å; I1045-I1096 HydrophobicContact CD1-CD1 3.72Å; I1045-F1113 HydrophobicContact CD1-CD2 3.99Å; I1045-F1113 HydrophobicContact CD1-CE2 4.23Å; I1045-L1116 HydrophobicContact CD1-CD2 3.88Å; I1045-L1116 HydrophobicContact CG1-CD2 4.09Å; I1045-L1116 HydrophobicContact CG2-CD2 4.29Å
1046	A	85.5	Confident	85.1	Confident	31 Å²	31	33.2 Å²	33.2	26%	0.256	16%	0.162	S	C	.	.	H	α-helix	trans	-58.9	-47.1	179.2	0	0	0	0	0	112.6	F1042 K1043 T1048 F1049 E1050 M1112	F1042-A1046 PolarHBondContact O-N 2.82Å; K1043-A1046 PolarHBondContact O-N 3.48Å; A1046-T1048 VanDerWaalsContact C-N 3.29Å; A1046-T1048 PolarHBondContact O-N 3.26Å; A1046-F1049 PolarHBondContact O-N 2.75Å; A1046-E1050 PolarHBondContact O-N 2.87Å; A1046-M1112 HydrophobicContact CB-CE 4.19Å
1047	E	89.1	Confident	84.7	Confident	72 Å²	72	34.7 Å²	34.7	34%	0.336	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-36	177.5	-172.7	-177.5	-177.6	0	0	111.7	K1043 I1045 E1050 H1051	K1043-E1047 WeakPolarHBondContact O-CB 3.36Å; K1043-E1047 PolarHBondContact O-N 2.86Å; I1045-E1047 PolarHBondContact O-N 2.78Å; E1047-E1050 PolarHBondContact O-N 2.84Å; E1047-H1051 PolarHBondContact O-CD2 3.33Å; E1047-H1051 PolarHBondContact O-N 3.28Å; E1047-H1051 IonicContact OE1-NE2 2.96Å
1048	T	92.1	Very high	84.4	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.043	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-46.7	174.6	-62.2	0	0	0	0	111.2	A1025 F1029 I1044 I1045 A1046 H1051 V1052 V1080	A1025-T1048 HydrophobicContact CB-CG2 4.27Å; F1029-T1048 HydrophobicContact CB-CG2 3.85Å; F1029-T1048 HydrophobicContact CD2-CG2 4.04Å; F1029-T1048 HydrophobicContact CG-CG2 4.18Å; F1029-T1048 PolarHBondContact N-OG1 2.96Å; I1044-T1048 VanDerWaalsContact O-CB 3.31Å; I1044-T1048 WeakPolarHBondContact O-CB 3.43Å; I1044-T1048 PolarHBondContact O-N 2.9Å; I1044-T1048 PolarHBondContact O-OG1 2.9Å; I1045-T1048 WeakPolarHBondContact O-CB 3.49Å; I1045-T1048 PolarHBondContact O-N 2.99Å; A1046-T1048 VanDerWaalsContact C-N 3.29Å; A1046-T1048 PolarHBondContact O-N 3.26Å; T1048-H1051 WeakPolarHBondContact O-CB 3.38Å; T1048-H1051 PolarHBondContact O-N 2.89Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.2Å; T1048-V1052 PolarHBondContact O-N 2.87Å; T1048-V1080 HydrophobicContact CG2-CG1 4.17Å
1049	F	90	Very high	84	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.022	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-35.1	178.2	-85.7	-91.9	0	0	0	112.5	I1045 A1046 H1051 V1052 N1053 L1073 T1077 M1112 T1115	I1045-F1049 HydrophobicContact CG2-CD2 4.03Å; I1045-F1049 HydrophobicContact CG2-CE2 3.97Å; I1045-F1049 WeakPolarHBondContact O-CD2 3.41Å; I1045-F1049 PolarHBondContact O-N 3.03Å; I1045-F1049 VanDerWaalsContact O-N 3.14Å; A1046-F1049 PolarHBondContact O-N 2.75Å; F1049-H1051 VanDerWaalsContact C-N 3.28Å; F1049-H1051 PolarHBondContact O-N 2.82Å; F1049-V1052 PolarHBondContact O-N 3Å; F1049-V1052 VanDerWaalsContact O-N 3.15Å; F1049-N1053 WeakPolarHBondContact O-CB 3.5Å; F1049-N1053 PolarHBondContact O-N 3.07Å; F1049-N1053 PolarHBondContact O-ND2 2.82Å; F1049-L1073 HydrophobicContact CD1-CD1 3.95Å; F1049-L1073 HydrophobicContact CD1-CD2 4.24Å; F1049-L1073 HydrophobicContact CE1-CD1 3.9Å; F1049-L1073 HydrophobicContact CE1-CD2 3.83Å; F1049-L1073 HydrophobicContact CE1-CG 4.03Å; F1049-T1077 HydrophobicContact CE1-CG2 4.21Å; F1049-T1077 HydrophobicContact CE2-CG2 4.48Å; F1049-T1077 HydrophobicContact CZ-CG2 3.77Å; F1049-M1112 HydrophobicContact CB-CG 3.99Å; F1049-M1112 HydrophobicContact CB-SD 3.16Å; F1049-M1112 WeakPolarHBondContact CB-SD 3.12Å; F1049-M1112 HydrophobicContact CD1-CB 4.21Å; F1049-M1112 HydrophobicContact CD1-CG 3.66Å; F1049-M1112 HydrophobicContact CD1-SD 4.05Å; F1049-M1112 HydrophobicContact CD2-CB 3.71Å; F1049-M1112 HydrophobicContact CD2-CG 3.83Å; F1049-M1112 HydrophobicContact CD2-SD 3.83Å; F1049-M1112 HydrophobicContact CE1-CB 4.19Å; F1049-M1112 HydrophobicContact CE1-CG 4.03Å; F1049-M1112 HydrophobicContact CE2-CB 3.68Å; F1049-M1112 HydrophobicContact CE2-CG 4.18Å; F1049-M1112 WeakPolarHBondContact CE2-O 3.42Å; F1049-M1112 HydrophobicContact CG-CB 3.99Å; F1049-M1112 HydrophobicContact CG-CG 3.56Å; F1049-M1112 HydrophobicContact CG-SD 3.43Å; F1049-M1112 WeakPolarHBondContact CG-SD 3.41Å; F1049-M1112 HydrophobicContact CZ-CB 3.92Å; F1049-M1112 HydrophobicContact CZ-CG 4.27Å; F1049-M1112 VanDerWaalsContact CZ-O 3.26Å; F1049-M1112 WeakPolarHBondContact CZ-O 3.5Å; F1049-T1115 HydrophobicContact CE1-CG2 4.14Å; F1049-T1115 HydrophobicContact CZ-CG2 4.07Å
1050	E	88.2	Confident	83.6	Confident	100 Å²	100	42.1 Å²	42.1	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-41	171.5	-169.4	-171.9	156.3	0	0	111	A1046 E1047 N1053 R1054	A1046-E1050 PolarHBondContact O-N 2.87Å; E1047-E1050 PolarHBondContact O-N 2.84Å; E1050-N1053 PolarHBondContact O-N 2.86Å; E1050-R1054 WeakPolarHBondContact O-CB 3.45Å; E1050-R1054 PolarHBondContact O-N 2.89Å; E1050-R1054 IonicContact OE1-CZ 3.81Å; E1050-R1054 IonicContact OE1-NH1 3.47Å; E1050-R1054 IonicContact OE1-NH2 3.27Å; E1050-R1054 PolarHBondContact OE1-NH2 3.1Å
1051	H	90.2	Very high	82.5	Confident	24 Å²	24	48.8 Å²	48.8	11%	0.111	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-36.7	173.2	-77	-49.3	0	0	0	113.3	K1024 A1025 E1047 T1048 F1049 R1054 C1055	K1024-H1051 HydrophobicContact CB-CB 4.4Å; A1025-H1051 HydrophobicContact CB-CB 3.67Å; E1047-H1051 PolarHBondContact O-CD2 3.33Å; E1047-H1051 PolarHBondContact O-N 3.28Å; E1047-H1051 IonicContact OE1-NE2 2.96Å; T1048-H1051 WeakPolarHBondContact O-CB 3.38Å; T1048-H1051 PolarHBondContact O-N 2.89Å; F1049-H1051 VanDerWaalsContact C-N 3.28Å; F1049-H1051 PolarHBondContact O-N 2.82Å; H1051-R1054 PolarHBondContact ND1-NH1 3.37Å; H1051-C1055 VanDerWaalsContact O-CB 3.27Å; H1051-C1055 WeakPolarHBondContact O-CB 3.41Å; H1051-C1055 PolarHBondContact O-N 2.84Å; H1051-C1055 VanDerWaalsContact O-N 3.07Å
1052	V	87.7	Confident	81.2	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-52.5	173.4	172.5	0	0	0	0	110.5	Y1022 A1025 T1048 F1049 R1054 C1055 V1056 W1068 L1073 I1076 V1080	Y1022-V1052 HydrophobicContact CD1-CG1 4.5Å; Y1022-V1052 HydrophobicContact CD1-CG2 4.4Å; Y1022-V1052 HydrophobicContact CE1-CG1 4.21Å; A1025-V1052 HydrophobicContact CB-CG2 3.83Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.2Å; T1048-V1052 PolarHBondContact O-N 2.87Å; F1049-V1052 PolarHBondContact O-N 3Å; F1049-V1052 VanDerWaalsContact O-N 3.15Å; V1052-R1054 PolarHBondContact O-N 2.81Å; V1052-C1055 WeakPolarHBondContact O-CB 3.47Å; V1052-C1055 PolarHBondContact O-N 2.76Å; V1052-C1055 VanDerWaalsContact O-N 3.15Å; V1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; V1052-V1056 PolarHBondContact O-N 3.16Å; V1052-W1068 HydrophobicContact CG1-CH2 4.36Å; V1052-W1068 HydrophobicContact CG1-CZ2 4.09Å; V1052-L1073 HydrophobicContact CG1-CD1 4.27Å; V1052-I1076 HydrophobicContact CG1-CG2 3.73Å; V1052-V1080 HydrophobicContact CG2-CG2 3.97Å
1053	N	84.3	Confident	80	Confident	58 Å²	58	56.1 Å²	56.1	31%	0.31	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-45.7	-179.2	-71.4	-22.7	0	0	0	111.4	F1049 E1050 C1055 V1056 S1057 W1068	F1049-N1053 WeakPolarHBondContact O-CB 3.5Å; F1049-N1053 PolarHBondContact O-N 3.07Å; F1049-N1053 PolarHBondContact O-ND2 2.82Å; E1050-N1053 PolarHBondContact O-N 2.86Å; N1053-C1055 VanDerWaalsContact C-N 3.32Å; N1053-C1055 PolarHBondContact O-N 3.5Å; N1053-V1056 PolarHBondContact O-N 2.87Å; N1053-V1056 VanDerWaalsContact O-N 3.15Å; N1053-S1057 PolarHBondContact O-N 3.3Å; N1053-S1057 PolarHBondContact O-OG 2.93Å; N1053-S1057 VanDerWaalsContact O-OG 3.11Å; N1053-W1068 PolarHBondContact OD1-NE1 2.95Å
1054	R	84.7	Confident	78.6	Confident	89 Å²	89	60.2 Å²	60.2	34%	0.336	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-44.3	175.6	-177.6	179.3	-64.8	122.6	0.3	111.7	E1050 H1051 V1052 V1056 S1057 E1058	E1050-R1054 WeakPolarHBondContact O-CB 3.45Å; E1050-R1054 PolarHBondContact O-N 2.89Å; E1050-R1054 IonicContact OE1-CZ 3.81Å; E1050-R1054 IonicContact OE1-NH1 3.47Å; E1050-R1054 IonicContact OE1-NH2 3.27Å; E1050-R1054 PolarHBondContact OE1-NH2 3.1Å; H1051-R1054 PolarHBondContact ND1-NH1 3.37Å; V1052-R1054 PolarHBondContact O-N 2.81Å; R1054-V1056 VanDerWaalsContact C-N 3.27Å; R1054-V1056 PolarHBondContact O-N 2.83Å; R1054-S1057 PolarHBondContact O-N 2.87Å; R1054-E1058 WeakPolarHBondContact CD-OE1 3.26Å; R1054-E1058 HydrophobicContact CG-CG 4.26Å; R1054-E1058 WeakPolarHBondContact CG-OE1 3.18Å; R1054-E1058 WeakPolarHBondContact O-CB 3.22Å; R1054-E1058 VanDerWaalsContact O-CG 3.31Å; R1054-E1058 WeakPolarHBondContact O-CG 3.39Å; R1054-E1058 PolarHBondContact O-N 2.95Å
1055	C	83	Confident	77	Confident	13 Å²	13	63 Å²	63	9%	0.088	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-33.9	178.5	-168.1	0	0	0	0	112.4	Y1022 H1051 V1052 N1053 N1059	Y1022-C1055 HydrophobicContact CD1-CB 3.73Å; Y1022-C1055 HydrophobicContact CE1-CB 3.74Å; Y1022-C1055 PolarHBondContact N-SG 3.14Å; Y1022-C1055 VanDerWaalsContact N-SG 3.4Å; H1051-C1055 VanDerWaalsContact O-CB 3.27Å; H1051-C1055 WeakPolarHBondContact O-CB 3.41Å; H1051-C1055 PolarHBondContact O-N 2.84Å; H1051-C1055 VanDerWaalsContact O-N 3.07Å; V1052-C1055 WeakPolarHBondContact O-CB 3.47Å; V1052-C1055 PolarHBondContact O-N 2.76Å; V1052-C1055 VanDerWaalsContact O-N 3.15Å; N1053-C1055 VanDerWaalsContact C-N 3.32Å; N1053-C1055 PolarHBondContact O-N 3.5Å; C1055-N1059 PolarHBondContact O-ND2 3.4Å
1056	V	80.1	Confident	75.4	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	34%	0.343	C	S	.	.	H	α-helix	trans	-73.8	-47.2	175.6	174.2	0	0	0	0	110.9	F997 Y1022 V1052 N1053 R1054 E1058 N1059 C1060 W1068	F997-V1056 HydrophobicContact CD1-CG1 3.92Å; F997-V1056 HydrophobicContact CE1-CG1 3.85Å; Y1022-V1056 HydrophobicContact CE1-CG2 4.23Å; V1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; V1052-V1056 PolarHBondContact O-N 3.16Å; N1053-V1056 PolarHBondContact O-N 2.87Å; N1053-V1056 VanDerWaalsContact O-N 3.15Å; R1054-V1056 VanDerWaalsContact C-N 3.27Å; R1054-V1056 PolarHBondContact O-N 2.83Å; V1056-E1058 VanDerWaalsContact C-N 3.32Å; V1056-E1058 PolarHBondContact O-N 2.9Å; V1056-N1059 PolarHBondContact O-N 2.94Å; V1056-C1060 HydrophobicContact CG1-CB 4.48Å; V1056-C1060 VanDerWaalsContact O-CB 3.26Å; V1056-C1060 WeakPolarHBondContact O-CB 3.04Å; V1056-C1060 PolarHBondContact O-N 3.07Å; V1056-W1068 HydrophobicContact CG1-CD2 4.22Å; V1056-W1068 HydrophobicContact CG1-CE3 3.86Å; V1056-W1068 HydrophobicContact CG1-CZ3 4.1Å; V1056-W1068 HydrophobicContact CG2-CE3 4.32Å; V1056-W1068 HydrophobicContact CG2-CH2 3.63Å; V1056-W1068 HydrophobicContact CG2-CZ2 4.05Å; V1056-W1068 HydrophobicContact CG2-CZ3 3.77Å
1057	S	76.7	Confident	74.2	Confident	87 Å²	87	66 Å²	66	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-63.4	-34	-179	-58.5	0	0	0	0	113.7	N1053 R1054	N1053-S1057 PolarHBondContact O-N 3.3Å; N1053-S1057 PolarHBondContact O-OG 2.93Å; N1053-S1057 VanDerWaalsContact O-OG 3.11Å; R1054-S1057 PolarHBondContact O-N 2.87Å
1058	E	76.5	Confident	73.2	Confident	105 Å²	105	66.3 Å²	66.3	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-75.9	-21.6	-179.9	-73.5	172.2	178.4	0	0	113.3	R1054 V1056	R1054-E1058 WeakPolarHBondContact CD-OE1 3.26Å; R1054-E1058 HydrophobicContact CG-CG 4.26Å; R1054-E1058 WeakPolarHBondContact CG-OE1 3.18Å; R1054-E1058 WeakPolarHBondContact O-CB 3.22Å; R1054-E1058 VanDerWaalsContact O-CG 3.31Å; R1054-E1058 WeakPolarHBondContact O-CG 3.39Å; R1054-E1058 PolarHBondContact O-N 2.95Å; V1056-E1058 VanDerWaalsContact C-N 3.32Å; V1056-E1058 PolarHBondContact O-N 2.9Å
1059	N	71.3	Confident	72.3	Confident	72 Å²	72	68.5 Å²	68.5	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-119.9	-15.8	-168.8	-65.8	-59.1	0	0	0	115	Y1021 C1055 V1056 E1061	Y1021-N1059 HydrophobicContact CE1-CB 3.52Å; Y1021-N1059 WeakPolarHBondContact CE1-ND2 3.39Å; Y1021-N1059 PolarHBondContact OH-OD1 2.66Å; C1055-N1059 PolarHBondContact O-ND2 3.4Å; V1056-N1059 PolarHBondContact O-N 2.94Å; N1059-E1061 PolarHBondContact O-N 3.45Å
1060	C	68.3	Low	71.3	Confident	15 Å²	15	70.4 Å²	70.4	10%	0.101	38%	0.384	C	S	.	.			trans	-89.8	96.9	177.6	-171.2	0	0	0	0	109.8	V1056 N1062 V1063	V1056-C1060 HydrophobicContact CG1-CB 4.48Å; V1056-C1060 VanDerWaalsContact O-CB 3.26Å; V1056-C1060 WeakPolarHBondContact O-CB 3.04Å; V1056-C1060 PolarHBondContact O-N 3.07Å; C1060-N1062 PolarHBondContact O-N 3.49Å; C1060-N1062 VanDerWaalsContact O-N 3.11Å; C1060-V1063 HydrophobicContact CB-CG2 4.26Å; C1060-V1063 WeakPolarHBondContact O-CG2 3.22Å
1061	E	59.8	Low	70.8	Confident	203 Å²	203	71.9 Å²	71.9	95%	0.949	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.3	-179.5	-68.8	-174.2	168.2	0	0	113.2	N1059	N1059-E1061 PolarHBondContact O-N 3.45Å
1062	N	58.6	Low	70.3	Confident	104 Å²	104	71.8 Å²	71.8	56%	0.556	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	51.9	-168.1	-129.7	-1.6	0	0	0	112.8	C1060 L1064 A1065	C1060-N1062 PolarHBondContact O-N 3.49Å; C1060-N1062 VanDerWaalsContact O-N 3.11Å; N1062-L1064 PolarHBondContact O-N 3.05Å; N1062-A1065 HydrophobicContact CB-CB 4.1Å; N1062-A1065 WeakPolarHBondContact O-CB 3.24Å; N1062-A1065 PolarHBondContact O-N 3.3Å
1063	V	54.5	Low	70.2	Confident	82 Å²	82	72.2 Å²	72.2	50%	0.497	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.3	178.3	-175.6	0	0	0	0	113.1	C1060 C1066	C1060-V1063 HydrophobicContact CB-CG2 4.26Å; C1060-V1063 WeakPolarHBondContact O-CG2 3.22Å; V1063-C1066 CarbonylContact O-C 3.59Å
1064	L	53	Low	70.4	Confident	175 Å²	175	71.8 Å²	71.8	92%	0.916	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-27.6	175.2	-72.5	168.9	0	0	0	113.9	N1062	N1062-L1064 PolarHBondContact O-N 3.05Å
1065	A	54.6	Low	70.6	Confident	64 Å²	64	68.6 Å²	68.6	53%	0.529	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-32.1	-178	0	0	0	0	0	112.4	N1062	N1062-A1065 HydrophobicContact CB-CB 4.1Å; N1062-A1065 WeakPolarHBondContact O-CB 3.24Å; N1062-A1065 PolarHBondContact O-N 3.3Å
1066	C	55.9	Low	70.8	Confident	18 Å²	18	68 Å²	68	12%	0.122	38%	0.383	C	S	.	.	S	Bend	trans	-131.8	101.5	176.1	-171.4	0	0	0	0	110.5	E996 F997 V1063 W1068	E996-C1066 WeakPolarHBondContact OE2-CB 3.47Å; F997-C1066 HydrophobicContact CZ-CB 4.42Å; V1063-C1066 CarbonylContact O-C 3.59Å; C1066-W1068 PolarHBondContact O-N 2.82Å
1067	P	59.6	Low	71.3	Confident	80 Å²	80	67.9 Å²	67.9	52%	0.519	38%	0.383	S	S	.	.			trans	-63.5	137.2	-179.3	24.3	-31	0	0	0	110.6	T1069 N1072	P1067-T1069 HydrophobicContact CB-CG2 4.04Å; P1067-T1069 HydrophobicContact CG-CG2 4.01Å; P1067-T1069 PolarHBondContact O-N 3.26Å; P1067-N1072 PolarHBondContact O-ND2 3.48Å
1068	W	68	Low	72	Confident	79 Å²	79	63.9 Å²	63.9	30%	0.299	36%	0.355	S	S	.	.			trans	-69.4	92.8	171.3	-174.1	-122.4	0	0	0	109.6	F997 V1052 N1053 V1056 C1066 N1072 L1073 I1076	F997-W1068 HydrophobicContact CD1-CE3 4.41Å; F997-W1068 HydrophobicContact CD1-CZ3 4.13Å; F997-W1068 AromaticContact CE1-CE3 3.88Å; F997-W1068 HydrophobicContact CE1-CE3 3.88Å; F997-W1068 HydrophobicContact CE1-CZ3 4.05Å; F997-W1068 HydrophobicContact CG-CZ3 4.47Å; F997-W1068 HydrophobicContact CZ-CE3 4.06Å; F997-W1068 HydrophobicContact CZ-CZ3 4.32Å; V1052-W1068 HydrophobicContact CG1-CH2 4.36Å; V1052-W1068 HydrophobicContact CG1-CZ2 4.09Å; N1053-W1068 PolarHBondContact OD1-NE1 2.95Å; V1056-W1068 HydrophobicContact CG1-CD2 4.22Å; V1056-W1068 HydrophobicContact CG1-CE3 3.86Å; V1056-W1068 HydrophobicContact CG1-CZ3 4.1Å; V1056-W1068 HydrophobicContact CG2-CE3 4.32Å; V1056-W1068 HydrophobicContact CG2-CH2 3.63Å; V1056-W1068 HydrophobicContact CG2-CZ2 4.05Å; V1056-W1068 HydrophobicContact CG2-CZ3 3.77Å; C1066-W1068 PolarHBondContact O-N 2.82Å; W1068-N1072 HydrophobicContact CE3-CB 4Å; W1068-N1072 HydrophobicContact CZ3-CB 3.9Å; W1068-L1073 HydrophobicContact CH2-CD1 4.17Å; W1068-L1073 HydrophobicContact CZ2-CB 4.18Å; W1068-L1073 HydrophobicContact CZ2-CD1 3.42Å; W1068-L1073 VanDerWaalsContact CZ2-CD1 3.42Å; W1068-L1073 HydrophobicContact CZ2-CG 4.4Å; W1068-I1076 HydrophobicContact CH2-CB 4.42Å; W1068-I1076 HydrophobicContact CH2-CD1 3.46Å; W1068-I1076 VanDerWaalsContact CH2-CD1 3.46Å; W1068-I1076 HydrophobicContact CZ3-CD1 3.47Å; W1068-I1076 VanDerWaalsContact CZ3-CD1 3.47Å
1069	T	72.7	Confident	72.6	Confident	53 Å²	53	58.9 Å²	58.9	33%	0.325	33%	0.331	S	S	.	.			trans	-106.2	168.8	-177.9	63.1	0	0	0	0	111.8	P1067 D1071 N1072 L1073	P1067-T1069 HydrophobicContact CB-CG2 4.04Å; P1067-T1069 HydrophobicContact CG-CG2 4.01Å; P1067-T1069 PolarHBondContact O-N 3.26Å; T1069-D1071 PolarHBondContact O-N 3.32Å; T1069-N1072 PolarHBondContact O-N 2.81Å; T1069-N1072 VanDerWaalsContact O-N 3.13Å; T1069-L1073 PolarHBondContact O-N 2.83Å; T1069-L1073 VanDerWaalsContact O-N 3.12Å
1070	A	69.3	Low	73.6	Confident	45 Å²	45	55.6 Å²	55.6	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-51.3	-37	171.5	0	0	0	0	0	114	N1072 L1073 V1074 Y1111	A1070-N1072 VanDerWaalsContact C-N 3.3Å; A1070-N1072 PolarHBondContact O-N 3Å; A1070-L1073 PolarHBondContact O-N 3.46Å; A1070-V1074 WeakPolarHBondContact O-CG2 3.27Å; A1070-V1074 PolarHBondContact O-N 3.41Å; A1070-Y1111 WeakPolarHBondContact CA-OH 3.28Å; A1070-Y1111 HydrophobicContact CB-CE2 4.25Å; A1070-Y1111 WeakPolarHBondContact CB-OH 3.32Å
1071	D	77.6	Confident	74.7	Confident	131 Å²	131	54.9 Å²	54.9	70%	0.701	31%	0.309	S	S	*	.	H	α-helix	trans	-68.4	-31.2	-177.3	-61	-36.1	0	0	0	111.8	T1069 P1075	T1069-D1071 PolarHBondContact O-N 3.32Å; D1071-P1075 WeakPolarHBondContact O-CD 3.31Å; D1071-P1075 WeakPolarHBondContact O-CG 3.17Å
1072	N	81.1	Confident	76.2	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-83.6	-31.4	176.7	-68.5	-27	0	0	0	112.3	F997 P1067 W1068 T1069 A1070 P1075 I1076	F997-N1072 HydrophobicContact CD2-CB 4.46Å; F997-N1072 HydrophobicContact CE2-CB 3.89Å; F997-N1072 WeakPolarHBondContact CE2-ND2 3.45Å; F997-N1072 HydrophobicContact CZ-CB 4.34Å; P1067-N1072 PolarHBondContact O-ND2 3.48Å; W1068-N1072 HydrophobicContact CE3-CB 4Å; W1068-N1072 HydrophobicContact CZ3-CB 3.9Å; T1069-N1072 PolarHBondContact O-N 2.81Å; T1069-N1072 VanDerWaalsContact O-N 3.13Å; A1070-N1072 VanDerWaalsContact C-N 3.3Å; A1070-N1072 PolarHBondContact O-N 3Å; N1072-P1075 WeakPolarHBondContact O-CD 3.38Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.39Å
1073	L	84.8	Confident	77.6	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-40.2	-179.7	-178	66.5	0	0	0	112.7	F1049 V1052 W1068 T1069 A1070 I1076 T1077 Y1111 T1115	F1049-L1073 HydrophobicContact CD1-CD1 3.95Å; F1049-L1073 HydrophobicContact CD1-CD2 4.24Å; F1049-L1073 HydrophobicContact CE1-CD1 3.9Å; F1049-L1073 HydrophobicContact CE1-CD2 3.83Å; F1049-L1073 HydrophobicContact CE1-CG 4.03Å; V1052-L1073 HydrophobicContact CG1-CD1 4.27Å; W1068-L1073 HydrophobicContact CH2-CD1 4.17Å; W1068-L1073 HydrophobicContact CZ2-CB 4.18Å; W1068-L1073 HydrophobicContact CZ2-CD1 3.42Å; W1068-L1073 VanDerWaalsContact CZ2-CD1 3.42Å; W1068-L1073 HydrophobicContact CZ2-CG 4.4Å; T1069-L1073 PolarHBondContact O-N 2.83Å; T1069-L1073 VanDerWaalsContact O-N 3.12Å; A1070-L1073 PolarHBondContact O-N 3.46Å; L1073-I1076 PolarHBondContact O-N 2.84Å; L1073-T1077 VanDerWaalsContact O-CB 3.24Å; L1073-T1077 WeakPolarHBondContact O-CB 3.41Å; L1073-T1077 PolarHBondContact O-N 2.8Å; L1073-T1077 PolarHBondContact O-OG1 3.04Å; L1073-Y1111 HydrophobicContact CD2-CD1 4.41Å; L1073-Y1111 HydrophobicContact CD2-CE1 3.5Å; L1073-Y1111 VanDerWaalsContact CD2-CE1 3.5Å; L1073-T1115 HydrophobicContact CD2-CG2 4.27Å; L1073-T1115 HydrophobicContact CG-CG2 4.27Å
1074	V	88	Confident	79.4	Confident	50 Å²	50	37 Å²	37	30%	0.303	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-50.7	-176.3	170.1	0	0	0	0	112.3	A1070 I1076 T1077 T1078 T1115 C1119	A1070-V1074 WeakPolarHBondContact O-CG2 3.27Å; A1070-V1074 PolarHBondContact O-N 3.41Å; V1074-I1076 PolarHBondContact O-N 2.94Å; V1074-T1077 PolarHBondContact O-N 2.87Å; V1074-T1078 WeakPolarHBondContact O-CB 3.43Å; V1074-T1078 PolarHBondContact O-N 2.78Å; V1074-T1078 PolarHBondContact O-OG1 3.17Å; V1074-T1115 HydrophobicContact CG2-CG2 3.95Å; V1074-C1119 PolarHBondContact O-SG 2.71Å
1075	P	89.1	Confident	81.2	Confident	22 Å²	22	32 Å²	32	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-43.8	175.9	-28.7	37.5	0	0	0	113.6	L991 V993 D1071 N1072 T1078 Y1079	L991-P1075 HydrophobicContact CB-CB 4.48Å; V993-P1075 HydrophobicContact CG2-CB 3.59Å; D1071-P1075 WeakPolarHBondContact O-CD 3.31Å; D1071-P1075 WeakPolarHBondContact O-CG 3.17Å; N1072-P1075 WeakPolarHBondContact O-CD 3.38Å; P1075-T1078 WeakPolarHBondContact O-CB 3.09Å; P1075-T1078 PolarHBondContact O-N 3.04Å; P1075-Y1079 PolarHBondContact O-N 2.83Å
1076	I	87.7	Confident	83	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-41.2	-179.3	-69	163.7	0	0	0	111.1	V993 F997 Y1022 V1052 W1068 N1072 L1073 V1074 T1078 Y1079 V1080	V993-I1076 HydrophobicContact CG1-CD1 4.18Å; V993-I1076 HydrophobicContact CG1-CG1 3.8Å; V993-I1076 HydrophobicContact CG2-CG1 4.24Å; F997-I1076 HydrophobicContact CB-CD1 3.68Å; F997-I1076 HydrophobicContact CD2-CD1 4.3Å; F997-I1076 HydrophobicContact CG-CD1 3.92Å; Y1022-I1076 HydrophobicContact CD1-CG2 4.29Å; Y1022-I1076 HydrophobicContact CE1-CG2 3.71Å; Y1022-I1076 HydrophobicContact CE2-CG2 4.31Å; V1052-I1076 HydrophobicContact CG1-CG2 3.73Å; W1068-I1076 HydrophobicContact CH2-CB 4.42Å; W1068-I1076 HydrophobicContact CH2-CD1 3.46Å; W1068-I1076 VanDerWaalsContact CH2-CD1 3.46Å; W1068-I1076 HydrophobicContact CZ3-CD1 3.47Å; W1068-I1076 VanDerWaalsContact CZ3-CD1 3.47Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.39Å; L1073-I1076 PolarHBondContact O-N 2.84Å; V1074-I1076 PolarHBondContact O-N 2.94Å; I1076-T1078 VanDerWaalsContact C-N 3.27Å; I1076-T1078 PolarHBondContact O-N 3.28Å; I1076-Y1079 WeakPolarHBondContact O-CB 3.48Å; I1076-Y1079 PolarHBondContact O-N 2.97Å; I1076-V1080 WeakPolarHBondContact O-CG2 3.46Å; I1076-V1080 PolarHBondContact O-N 3.12Å
1077	T	90.4	Very high	84.6	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-40.1	173.3	-56.3	0	0	0	0	110.6	F1049 L1073 V1074 Y1079 V1080 L1081 T1115 L1116	F1049-T1077 HydrophobicContact CE1-CG2 4.21Å; F1049-T1077 HydrophobicContact CE2-CG2 4.48Å; F1049-T1077 HydrophobicContact CZ-CG2 3.77Å; L1073-T1077 VanDerWaalsContact O-CB 3.24Å; L1073-T1077 WeakPolarHBondContact O-CB 3.41Å; L1073-T1077 PolarHBondContact O-N 2.8Å; L1073-T1077 PolarHBondContact O-OG1 3.04Å; V1074-T1077 PolarHBondContact O-N 2.87Å; T1077-Y1079 VanDerWaalsContact C-N 3.33Å; T1077-Y1079 PolarHBondContact O-N 2.83Å; T1077-V1080 PolarHBondContact O-N 2.99Å; T1077-L1081 VanDerWaalsContact O-CB 3.23Å; T1077-L1081 WeakPolarHBondContact O-CB 3.24Å; T1077-L1081 PolarHBondContact O-N 3.47Å; T1077-T1115 HydrophobicContact CG2-CG2 4.27Å; T1077-L1116 HydrophobicContact CG2-CD1 4.27Å
1078	T	91.5	Very high	86.2	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-41.5	175.1	-57	0	0	0	0	111.1	L991 V1074 P1075 I1076 L1081 I1082 C1119 F1122 L1123	L991-T1078 HydrophobicContact CD1-CG2 4.33Å; L991-T1078 HydrophobicContact CD2-CG2 3.67Å; V1074-T1078 WeakPolarHBondContact O-CB 3.43Å; V1074-T1078 PolarHBondContact O-N 2.78Å; V1074-T1078 PolarHBondContact O-OG1 3.17Å; P1075-T1078 WeakPolarHBondContact O-CB 3.09Å; P1075-T1078 PolarHBondContact O-N 3.04Å; I1076-T1078 VanDerWaalsContact C-N 3.27Å; I1076-T1078 PolarHBondContact O-N 3.28Å; T1078-L1081 PolarHBondContact O-N 2.82Å; T1078-I1082 HydrophobicContact CG2-CD1 3.86Å; T1078-I1082 HydrophobicContact CG2-CG1 4.47Å; T1078-I1082 WeakPolarHBondContact O-CD1 2.97Å; T1078-I1082 VanDerWaalsContact O-CG1 3.23Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.14Å; T1078-I1082 PolarHBondContact O-N 3.39Å; T1078-C1119 PolarHBondContact OG1-SG 2.9Å; T1078-F1122 HydrophobicContact CG2-CD1 4.18Å; T1078-F1122 HydrophobicContact CG2-CE1 4.37Å; T1078-L1123 HydrophobicContact CG2-CD1 4.25Å; T1078-L1123 HydrophobicContact CG2-CD2 4.18Å; T1078-L1123 HydrophobicContact CG2-CG 4.23Å
1079	Y	89.7	Confident	87.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-51.7	173.4	169.5	-94.8	0	0	0	112	D984 L987 L988 Y1022 I1026 P1075 I1076 T1077 L1081 I1082 R1083	D984-Y1079 HydrophobicContact CB-CE2 4.31Å; D984-Y1079 VanDerWaalsContact CG-OH 3.3Å; D984-Y1079 PolarHBondContact OD1-OH 3.11Å; L987-Y1079 HydrophobicContact CD2-CD2 3.65Å; L987-Y1079 HydrophobicContact CD2-CE2 4Å; L987-Y1079 HydrophobicContact CG-CD2 3.96Å; L987-Y1079 HydrophobicContact CG-CE2 4.48Å; L988-Y1079 HydrophobicContact CD2-CD1 4.34Å; L988-Y1079 HydrophobicContact CD2-CD2 3.62Å; L988-Y1079 HydrophobicContact CD2-CE2 4.07Å; L988-Y1079 HydrophobicContact CD2-CG 3.77Å; L988-Y1079 HydrophobicContact CG-CD2 4.02Å; L988-Y1079 HydrophobicContact CG-CE2 4.13Å; Y1022-Y1079 HydrophobicContact CD2-CD1 4.22Å; Y1022-Y1079 AromaticContact CD2-CE1 3.95Å; Y1022-Y1079 HydrophobicContact CD2-CE1 3.95Å; I1026-Y1079 HydrophobicContact CD1-CE1 4.43Å; P1075-Y1079 PolarHBondContact O-N 2.83Å; I1076-Y1079 WeakPolarHBondContact O-CB 3.48Å; I1076-Y1079 PolarHBondContact O-N 2.97Å; T1077-Y1079 VanDerWaalsContact C-N 3.33Å; T1077-Y1079 PolarHBondContact O-N 2.83Å; Y1079-L1081 VanDerWaalsContact C-N 3.29Å; Y1079-L1081 PolarHBondContact O-N 2.94Å; Y1079-I1082 PolarHBondContact O-N 3.22Å; Y1079-R1083 HydrophobicContact CD2-CG 4.34Å; Y1079-R1083 HydrophobicContact CE1-CG 4.29Å; Y1079-R1083 HydrophobicContact CE2-CG 3.91Å; Y1079-R1083 WeakPolarHBondContact O-CG 3.23Å; Y1079-R1083 PolarHBondContact O-N 3.14Å
1080	V	91	Very high	88.6	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-44.5	178.2	172.5	0	0	0	0	110.8	Y1022 A1025 I1026 T1048 V1052 I1076 T1077 R1083 A1084	Y1022-V1080 HydrophobicContact CG-CG2 4.33Å; A1025-V1080 HydrophobicContact CB-CG1 4.16Å; A1025-V1080 HydrophobicContact CB-CG2 4.37Å; I1026-V1080 HydrophobicContact CG1-CG1 4.08Å; T1048-V1080 HydrophobicContact CG2-CG1 4.17Å; V1052-V1080 HydrophobicContact CG2-CG2 3.97Å; I1076-V1080 WeakPolarHBondContact O-CG2 3.46Å; I1076-V1080 PolarHBondContact O-N 3.12Å; T1077-V1080 PolarHBondContact O-N 2.99Å; V1080-R1083 PolarHBondContact O-N 2.93Å; V1080-A1084 VanDerWaalsContact O-CB 3.28Å; V1080-A1084 WeakPolarHBondContact O-CB 3.43Å; V1080-A1084 PolarHBondContact O-N 2.92Å
1081	L	91.9	Very high	89.9	Confident	1 Å²	1	27 Å²	27	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-47.9	179.2	-167.3	174.6	0	0	0	111.5	Y972 I976 F1029 T1077 T1078 Y1079 R1083 A1084 Q1085 L1089 L1116 C1119 L1123	Y972-L1081 HydrophobicContact CE2-CD2 3.56Å; Y972-L1081 WeakPolarHBondContact OH-CD2 3.39Å; I976-L1081 HydrophobicContact CD1-CD2 3.96Å; F1029-L1081 HydrophobicContact CE1-CG 4.23Å; T1077-L1081 VanDerWaalsContact O-CB 3.23Å; T1077-L1081 WeakPolarHBondContact O-CB 3.24Å; T1077-L1081 PolarHBondContact O-N 3.47Å; T1078-L1081 PolarHBondContact O-N 2.82Å; Y1079-L1081 VanDerWaalsContact C-N 3.29Å; Y1079-L1081 PolarHBondContact O-N 2.94Å; L1081-R1083 VanDerWaalsContact C-N 3.33Å; L1081-R1083 PolarHBondContact O-N 2.95Å; L1081-A1084 PolarHBondContact O-N 2.85Å; L1081-Q1085 PolarHBondContact O-N 3.48Å; L1081-L1089 HydrophobicContact CD1-CD2 3.64Å; L1081-L1089 HydrophobicContact CD2-CD2 3.62Å; L1081-L1089 HydrophobicContact CG-CD2 3.65Å; L1081-L1116 HydrophobicContact CD1-CD1 3.93Å; L1081-L1116 HydrophobicContact CG-CD1 4.46Å; L1081-C1119 HydrophobicContact CD1-CB 3.68Å; L1081-L1123 HydrophobicContact CD1-CD1 4.34Å; L1081-L1123 HydrophobicContact CD2-CD1 3.67Å
1082	I	90.8	Very high	90.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-45.7	177.1	-69.4	159.5	0	0	0	110.5	I976 V979 N980 L987 L991 T1078 Y1079 Q1085 L1123	I976-I1082 HydrophobicContact CG1-CG1 4.42Å; V979-I1082 HydrophobicContact CB-CG2 4.47Å; V979-I1082 HydrophobicContact CG1-CD1 3.76Å; V979-I1082 HydrophobicContact CG1-CG2 4.22Å; N980-I1082 HydrophobicContact CB-CG2 4.08Å; L987-I1082 HydrophobicContact CD1-CD1 4.06Å; L987-I1082 HydrophobicContact CD2-CB 4.4Å; L987-I1082 HydrophobicContact CD2-CD1 4.39Å; L987-I1082 HydrophobicContact CD2-CG2 3.93Å; L991-I1082 HydrophobicContact CD1-CD1 4.09Å; L991-I1082 HydrophobicContact CD2-CD1 4.24Å; T1078-I1082 HydrophobicContact CG2-CD1 3.86Å; T1078-I1082 HydrophobicContact CG2-CG1 4.47Å; T1078-I1082 WeakPolarHBondContact O-CD1 2.97Å; T1078-I1082 VanDerWaalsContact O-CG1 3.23Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.14Å; T1078-I1082 PolarHBondContact O-N 3.39Å; Y1079-I1082 PolarHBondContact O-N 3.22Å; I1082-Q1085 WeakPolarHBondContact O-CG 3.25Å; I1082-Q1085 PolarHBondContact O-N 2.85Å; I1082-L1123 HydrophobicContact CD1-CD2 4.05Å; I1082-L1123 HydrophobicContact CG1-CD1 3.97Å; I1082-L1123 HydrophobicContact CG1-CD2 4.07Å
1083	R	89.6	Confident	91.3	Very high	9 Å²	9	20.2 Å²	20.2	3%	0.034	10%	0.096	C	C	.	.	H	α-helix	trans	-72.9	-27.9	-177.7	-69.8	-61.9	-173.2	-124.1	1.5	113.6	N980 K982 D984 L987 I1026 Y1079 V1080 L1081 Q1085	N980-R1083 PolarHBondContact O-NH1 2.98Å; N980-R1083 PolarHBondContact OD1-NH1 3.3Å; K982-R1083 PolarHBondContact O-NH2 3.27Å; D984-R1083 IonicContact OD1-CZ 3.27Å; D984-R1083 IonicContact OD1-NE 2.76Å; D984-R1083 PolarHBondContact OD1-NE 2.94Å; D984-R1083 IonicContact OD1-NH2 3.3Å; D984-R1083 PolarHBondContact OD1-NH2 3.45Å; L987-R1083 VanDerWaalsContact CD2-CZ 3.45Å; I1026-R1083 HydrophobicContact CD1-CB 3.66Å; I1026-R1083 HydrophobicContact CD1-CG 4.33Å; I1026-R1083 HydrophobicContact CG1-CB 4.04Å; I1026-R1083 HydrophobicContact CG2-CB 4.4Å; Y1079-R1083 HydrophobicContact CD2-CG 4.34Å; Y1079-R1083 HydrophobicContact CE1-CG 4.29Å; Y1079-R1083 HydrophobicContact CE2-CG 3.91Å; Y1079-R1083 WeakPolarHBondContact O-CG 3.23Å; Y1079-R1083 PolarHBondContact O-N 3.14Å; V1080-R1083 PolarHBondContact O-N 2.93Å; L1081-R1083 VanDerWaalsContact C-N 3.33Å; L1081-R1083 PolarHBondContact O-N 2.95Å; R1083-Q1085 VanDerWaalsContact C-N 3.34Å
1084	A	91.9	Very high	91.6	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-71.7	-26.4	173.9	0	0	0	0	0	113.3	I1026 F1029 Q1030 V1080 L1081 I1086	I1026-A1084 HydrophobicContact CG2-CB 4.31Å; F1029-A1084 HydrophobicContact CB-CB 4.23Å; F1029-A1084 HydrophobicContact CD1-CB 3.63Å; F1029-A1084 HydrophobicContact CG-CB 4.42Å; Q1030-A1084 HydrophobicContact CG-CB 4.1Å; Q1030-A1084 WeakPolarHBondContact CG-O 3.49Å; Q1030-A1084 PolarHBondContact NE2-O 2.68Å; V1080-A1084 VanDerWaalsContact O-CB 3.28Å; V1080-A1084 WeakPolarHBondContact O-CB 3.43Å; V1080-A1084 PolarHBondContact O-N 2.92Å; L1081-A1084 PolarHBondContact O-N 2.85Å; A1084-I1086 VanDerWaalsContact C-N 3.35Å; A1084-I1086 HydrophobicContact CB-CD1 4.34Å; A1084-I1086 HydrophobicContact CB-CG1 4.29Å; A1084-I1086 PolarHBondContact O-N 2.87Å
1085	Q	90.6	Very high	91.9	Very high	70 Å²	70	18.7 Å²	18.7	33%	0.327	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.1	174.2	-56.3	-168.6	-75.7	0	0	115.3	I976 N980 L1081 I1082 R1083 Q1087	I976-Q1085 HydrophobicContact CG2-CG 4.48Å; N980-Q1085 PolarHBondContact ND2-NE2 3.29Å; L1081-Q1085 PolarHBondContact O-N 3.48Å; I1082-Q1085 WeakPolarHBondContact O-CG 3.25Å; I1082-Q1085 PolarHBondContact O-N 2.85Å; R1083-Q1085 VanDerWaalsContact C-N 3.34Å; Q1085-Q1087 PolarHBondContact O-N 3.13Å; Q1085-Q1087 VanDerWaalsContact O-N 3.12Å; Q1085-Q1087 PolarHBondContact O-NE2 3.21Å; Q1085-Q1087 VanDerWaalsContact O-NE2 3.11Å
1086	I	92.8	Very high	91.8	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.036	8%	0.08	C	C	.	.			trans	-62.7	111.1	177.9	-53	-58.2	0	0	0	110.4	Y972 F1029 A1084 R1088 L1089	Y972-I1086 WeakPolarHBondContact CE1-O 3.02Å; Y972-I1086 PolarHBondContact OH-O 2.61Å; F1029-I1086 HydrophobicContact CD1-CD1 4.22Å; F1029-I1086 HydrophobicContact CD1-CG1 3.72Å; F1029-I1086 HydrophobicContact CE1-CD1 4.48Å; F1029-I1086 HydrophobicContact CE1-CG1 3.57Å; F1029-I1086 HydrophobicContact CZ-CG1 4.43Å; F1029-I1086 WeakPolarHBondContact O-CD1 3.48Å; A1084-I1086 VanDerWaalsContact C-N 3.35Å; A1084-I1086 HydrophobicContact CB-CD1 4.34Å; A1084-I1086 HydrophobicContact CB-CG1 4.29Å; A1084-I1086 PolarHBondContact O-N 2.87Å; I1086-R1088 PolarHBondContact O-N 2.84Å; I1086-L1089 HydrophobicContact CB-CB 4.29Å; I1086-L1089 HydrophobicContact CG2-CB 4.1Å; I1086-L1089 HydrophobicContact CG2-CD1 4.21Å
1087	Q	89.6	Confident	91.8	Very high	100 Å²	100	23 Å²	23	47%	0.467	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.9	-169.6	-64.5	-60.8	-56.5	0	0	114.6	Q973 Q1085	Q973-Q1087 WeakPolarHBondContact CG-O 3.41Å; Q973-Q1087 PolarHBondContact NE2-O 3.08Å; Q1085-Q1087 PolarHBondContact O-N 3.13Å; Q1085-Q1087 VanDerWaalsContact O-N 3.12Å; Q1085-Q1087 PolarHBondContact O-NE2 3.21Å; Q1085-Q1087 VanDerWaalsContact O-NE2 3.11Å
1088	R	92.5	Very high	91.6	Very high	126 Å²	126	24.3 Å²	24.3	48%	0.475	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	44.4	-170.3	-62.9	176.1	174.8	177.6	-1.3	111.7	I1086 G1090 A1091 E1092	I1086-R1088 PolarHBondContact O-N 2.84Å; R1088-G1090 VanDerWaalsContact C-N 3.28Å; R1088-G1090 PolarHBondContact O-N 2.94Å; R1088-A1091 HydrophobicContact CB-CB 4.24Å; R1088-A1091 WeakPolarHBondContact O-CB 3.3Å; R1088-A1091 PolarHBondContact O-N 3.42Å; R1088-A1091 VanDerWaalsContact O-N 3.14Å; R1088-E1092 WeakPolarHBondContact O-CG 3.42Å; R1088-E1092 PolarHBondContact O-N 2.88Å; R1088-E1092 VanDerWaalsContact O-N 3.08Å
1089	L	95.4	Very high	91.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-36.6	-171.2	-176.1	59.5	0	0	0	112.6	Y972 F1029 L1032 L1081 I1086 A1091 E1092 L1093 Y1120	Y972-L1089 HydrophobicContact CE1-CB 3.99Å; Y972-L1089 HydrophobicContact CE2-CD2 4.16Å; F1029-L1089 HydrophobicContact CE1-CD1 4.32Å; F1029-L1089 HydrophobicContact CZ-CD1 3.86Å; L1032-L1089 HydrophobicContact CD2-CD1 3.94Å; L1081-L1089 HydrophobicContact CD1-CD2 3.64Å; L1081-L1089 HydrophobicContact CD2-CD2 3.62Å; L1081-L1089 HydrophobicContact CG-CD2 3.65Å; I1086-L1089 HydrophobicContact CB-CB 4.29Å; I1086-L1089 HydrophobicContact CG2-CB 4.1Å; I1086-L1089 HydrophobicContact CG2-CD1 4.21Å; L1089-A1091 PolarHBondContact O-N 3.15Å; L1089-E1092 WeakPolarHBondContact O-CB 3.45Å; L1089-E1092 PolarHBondContact O-N 2.94Å; L1089-L1093 HydrophobicContact CD1-CD1 4.3Å; L1089-L1093 HydrophobicContact CD1-CD2 4.21Å; L1089-L1093 HydrophobicContact CD1-CG 3.96Å; L1089-L1093 HydrophobicContact CD2-CD1 4.47Å; L1089-L1093 HydrophobicContact CG-CD1 3.94Å; L1089-L1093 HydrophobicContact CG-CG 4.07Å; L1089-L1093 VanDerWaalsContact O-CG 3.26Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 3.14Å; L1089-Y1120 HydrophobicContact CB-CD2 4.12Å; L1089-Y1120 HydrophobicContact CB-CE2 4.33Å; L1089-Y1120 HydrophobicContact CD2-CD2 4.07Å; L1089-Y1120 HydrophobicContact CG-CD2 4.1Å
1090	G	95.5	Very high	90.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-42.5	176.4	0	0	0	0	0	112.7	D969 R1088 E1092 N1094 Y1120	D969-G1090 WeakPolarHBondContact OD1-CA 3.31Å; D969-G1090 PolarHBondContact OD1-N 3.25Å; R1088-G1090 VanDerWaalsContact C-N 3.28Å; R1088-G1090 PolarHBondContact O-N 2.94Å; G1090-E1092 VanDerWaalsContact C-N 3.33Å; G1090-E1092 PolarHBondContact O-N 3.32Å; G1090-N1094 WeakPolarHBondContact O-CB 3.26Å; G1090-N1094 PolarHBondContact O-N 3.41Å; G1090-N1094 PolarHBondContact O-ND2 3.13Å; G1090-Y1120 VanDerWaalsContact CA-CZ 3.42Å; G1090-Y1120 WeakPolarHBondContact CA-OH 3.42Å
1091	A	96.2	Very high	88.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-44.1	172.6	0	0	0	0	0	111.9	F958 V962 N965 D969 R1088 L1089 F1095	F958-A1091 HydrophobicContact CE2-CB 4.25Å; F958-A1091 HydrophobicContact CZ-CB 3.92Å; V962-A1091 HydrophobicContact CG2-CB 4.07Å; N965-A1091 HydrophobicContact CB-CB 4.48Å; D969-A1091 PolarHBondContact OD2-N 2.79Å; R1088-A1091 HydrophobicContact CB-CB 4.24Å; R1088-A1091 WeakPolarHBondContact O-CB 3.3Å; R1088-A1091 PolarHBondContact O-N 3.42Å; R1088-A1091 VanDerWaalsContact O-N 3.14Å; L1089-A1091 PolarHBondContact O-N 3.15Å; A1091-F1095 WeakPolarHBondContact O-CB 3.47Å; A1091-F1095 PolarHBondContact O-N 3.19Å
1092	E	94.7	Very high	87	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-50.4	177.6	-64.8	-66.2	-175.3	0	0	112.6	F958 L1032 K1041 R1088 L1089 G1090 N1094 F1095 I1096	F958-E1092 HydrophobicContact CE2-CG 4.49Å; F958-E1092 WeakPolarHBondContact CE2-OE2 3.22Å; F958-E1092 HydrophobicContact CZ-CG 4.01Å; F958-E1092 WeakPolarHBondContact CZ-OE1 3.47Å; L1032-E1092 HydrophobicContact CD2-CB 4.13Å; L1032-E1092 HydrophobicContact CD2-CG 4.37Å; K1041-E1092 WeakPolarHBondContact CE-OE2 3.48Å; K1041-E1092 IonicContact NZ-OE1 2.65Å; K1041-E1092 PolarHBondContact NZ-OE1 2.98Å; K1041-E1092 VanDerWaalsContact NZ-OE1 3.1Å; K1041-E1092 IonicContact NZ-OE2 3.2Å; K1041-E1092 PolarHBondContact NZ-OE2 2.75Å; R1088-E1092 WeakPolarHBondContact O-CG 3.42Å; R1088-E1092 PolarHBondContact O-N 2.88Å; R1088-E1092 VanDerWaalsContact O-N 3.08Å; L1089-E1092 WeakPolarHBondContact O-CB 3.45Å; L1089-E1092 PolarHBondContact O-N 2.94Å; G1090-E1092 VanDerWaalsContact C-N 3.33Å; G1090-E1092 PolarHBondContact O-N 3.32Å; E1092-N1094 VanDerWaalsContact C-N 3.34Å; E1092-N1094 PolarHBondContact O-N 2.97Å; E1092-F1095 PolarHBondContact O-N 3.29Å; E1092-I1096 VanDerWaalsContact O-CG1 3.23Å; E1092-I1096 WeakPolarHBondContact O-CG1 3.4Å; E1092-I1096 PolarHBondContact O-N 3.3Å
1093	L	93.5	Very high	84.9	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-40.6	-179.1	-66.9	177.3	0	0	0	112	L1089 R1097 F1113 L1116 Q1117 Y1120	L1089-L1093 HydrophobicContact CD1-CD1 4.3Å; L1089-L1093 HydrophobicContact CD1-CD2 4.21Å; L1089-L1093 HydrophobicContact CD1-CG 3.96Å; L1089-L1093 HydrophobicContact CD2-CD1 4.47Å; L1089-L1093 HydrophobicContact CG-CD1 3.94Å; L1089-L1093 HydrophobicContact CG-CG 4.07Å; L1089-L1093 VanDerWaalsContact O-CG 3.26Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 3.14Å; L1093-R1097 WeakPolarHBondContact O-CB 3.2Å; L1093-R1097 PolarHBondContact O-N 2.81Å; L1093-F1113 HydrophobicContact CD2-CD2 4.44Å; L1093-F1113 HydrophobicContact CD2-CE2 3.82Å; L1093-F1113 HydrophobicContact CD2-CZ 4.48Å; L1093-F1113 WeakPolarHBondContact O-CZ 3.34Å; L1093-L1116 HydrophobicContact CD2-CD2 3.44Å; L1093-L1116 VanDerWaalsContact CD2-CD2 3.44Å; L1093-L1116 HydrophobicContact CD2-CG 3.93Å; L1093-Q1117 HydrophobicContact CD1-CG 4.33Å; L1093-Y1120 HydrophobicContact CD1-CD1 4.32Å; L1093-Y1120 HydrophobicContact CD1-CG 3.97Å
1094	N	92.4	Very high	82.8	Confident	28 Å²	28	37.1 Å²	37.1	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-37.9	177.9	-71.8	-55.2	0	0	0	111.9	Y961 N965 G1090 E1092 R1097 D1098	Y961-N1094 HydrophobicContact CD1-CB 3.72Å; Y961-N1094 VanDerWaalsContact CE1-C 3.41Å; Y961-N1094 HydrophobicContact CE1-CB 3.77Å; N965-N1094 PolarHBondContact ND2-ND2 2.85Å; N965-N1094 PolarHBondContact OD1-ND2 2.88Å; G1090-N1094 WeakPolarHBondContact O-CB 3.26Å; G1090-N1094 PolarHBondContact O-N 3.41Å; G1090-N1094 PolarHBondContact O-ND2 3.13Å; E1092-N1094 VanDerWaalsContact C-N 3.34Å; E1092-N1094 PolarHBondContact O-N 2.97Å; N1094-R1097 PolarHBondContact O-N 2.78Å; N1094-R1097 PolarHBondContact OD1-NH1 2.95Å; N1094-R1097 PolarHBondContact OD1-NH2 3.44Å; N1094-D1098 PolarHBondContact O-N 3.15Å; N1094-D1098 VanDerWaalsContact O-N 3.11Å
1095	F	92.3	Very high	80.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-47.3	174.1	172.7	-103.2	0	0	0	111.4	L950 Y954 L957 F958 Y961 F1036 P1038 K1041 A1091 E1092 D1098 F1099	L950-F1095 HydrophobicContact CD2-CZ 4.43Å; Y954-F1095 HydrophobicContact CD2-CE1 4.3Å; Y954-F1095 AromaticContact CD2-CE2 3.91Å; Y954-F1095 HydrophobicContact CD2-CE2 3.91Å; Y954-F1095 AromaticContact CD2-CZ 3.65Å; Y954-F1095 HydrophobicContact CD2-CZ 3.65Å; Y954-F1095 HydrophobicContact CE2-CD1 4.18Å; Y954-F1095 HydrophobicContact CE2-CD2 4.32Å; Y954-F1095 AromaticContact CE2-CE1 3.67Å; Y954-F1095 HydrophobicContact CE2-CE1 3.67Å; Y954-F1095 AromaticContact CE2-CE2 3.83Å; Y954-F1095 HydrophobicContact CE2-CE2 3.83Å; Y954-F1095 HydrophobicContact CE2-CG 4.49Å; Y954-F1095 AromaticContact CE2-CZ 3.47Å; Y954-F1095 HydrophobicContact CE2-CZ 3.47Å; Y954-F1095 VanDerWaalsContact CE2-CZ 3.47Å; L957-F1095 HydrophobicContact CD2-CE2 4.07Å; F958-F1095 HydrophobicContact CD2-CB 4.21Å; F958-F1095 HydrophobicContact CD2-CD2 4.48Å; F958-F1095 HydrophobicContact CD2-CG 4.2Å; F958-F1095 HydrophobicContact CE2-CB 4.12Å; F958-F1095 HydrophobicContact CE2-CG 4.43Å; Y961-F1095 HydrophobicContact CD1-CB 4.24Å; Y961-F1095 HydrophobicContact CD2-CB 4.12Å; Y961-F1095 HydrophobicContact CD2-CD2 4.07Å; Y961-F1095 HydrophobicContact CE1-CB 4.23Å; Y961-F1095 HydrophobicContact CE2-CB 4.09Å; Y961-F1095 AromaticContact CE2-CD2 3.68Å; Y961-F1095 HydrophobicContact CE2-CD2 3.68Å; Y961-F1095 HydrophobicContact CE2-CG 4.39Å; Y961-F1095 HydrophobicContact CG-CB 4.19Å; F1036-F1095 WeakPolarHBondContact O-CE1 3.1Å; P1038-F1095 HydrophobicContact CB-CE1 4.32Å; P1038-F1095 HydrophobicContact CG-CE1 3.82Å; P1038-F1095 HydrophobicContact CG-CZ 3.74Å; K1041-F1095 HydrophobicContact CD-CD1 3.94Å; K1041-F1095 HydrophobicContact CD-CE1 4.02Å; A1091-F1095 WeakPolarHBondContact O-CB 3.47Å; A1091-F1095 PolarHBondContact O-N 3.19Å; E1092-F1095 PolarHBondContact O-N 3.29Å; F1095-D1098 PolarHBondContact O-N 2.93Å; F1095-F1099 AromaticContact CD2-CD2 3.64Å; F1095-F1099 HydrophobicContact CD2-CD2 3.64Å; F1095-F1099 AromaticContact CD2-CE2 3.98Å; F1095-F1099 HydrophobicContact CD2-CE2 3.98Å; F1095-F1099 AromaticContact CE2-CD2 3.53Å; F1095-F1099 HydrophobicContact CE2-CD2 3.53Å; F1095-F1099 AromaticContact CE2-CE2 3.9Å; F1095-F1099 HydrophobicContact CE2-CE2 3.9Å; F1095-F1099 HydrophobicContact CE2-CG 4.32Å; F1095-F1099 HydrophobicContact CG-CD2 4.5Å; F1095-F1099 HydrophobicContact CZ-CD2 4.33Å; F1095-F1099 WeakPolarHBondContact O-CD2 3.3Å; F1095-F1099 PolarHBondContact O-N 3.39Å
1096	I	88.1	Confident	78.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-47.3	175.9	-65.4	166.2	0	0	0	109.8	L1032 K1041 F1042 I1045 E1092 D1098 F1099 A1100 F1113	L1032-I1096 HydrophobicContact CD1-CD1 4.04Å; K1041-I1096 HydrophobicContact CB-CD1 3.79Å; K1041-I1096 HydrophobicContact CB-CG1 3.95Å; K1041-I1096 HydrophobicContact CD-CD1 4.24Å; K1041-I1096 HydrophobicContact CD-CG1 4.02Å; F1042-I1096 HydrophobicContact CD2-CG2 3.72Å; F1042-I1096 HydrophobicContact CE2-CG2 4.36Å; I1045-I1096 HydrophobicContact CD1-CD1 3.72Å; E1092-I1096 VanDerWaalsContact O-CG1 3.23Å; E1092-I1096 WeakPolarHBondContact O-CG1 3.4Å; E1092-I1096 PolarHBondContact O-N 3.3Å; I1096-D1098 VanDerWaalsContact C-N 3.25Å; I1096-D1098 PolarHBondContact O-N 3.18Å; I1096-F1099 PolarHBondContact O-N 3.3Å; I1096-A1100 HydrophobicContact CG2-CB 3.78Å; I1096-A1100 WeakPolarHBondContact O-CA 3.07Å; I1096-A1100 WeakPolarHBondContact O-CB 3.11Å; I1096-A1100 PolarHBondContact O-N 3.11Å; I1096-F1113 HydrophobicContact CB-CE2 3.97Å; I1096-F1113 HydrophobicContact CB-CZ 4.16Å; I1096-F1113 HydrophobicContact CG2-CD2 4.27Å; I1096-F1113 HydrophobicContact CG2-CE2 3.53Å; I1096-F1113 HydrophobicContact CG2-CZ 3.9Å
1097	R	86.6	Confident	77.1	Confident	112 Å²	112	45.5 Å²	45.5	42%	0.423	25%	0.247	S	C	.	.	H	α-helix	trans	-56.5	-40.2	179.2	-175.5	-173.7	62.7	-132.3	-11.9	112.8	L1093 N1094 F1113	L1093-R1097 WeakPolarHBondContact O-CB 3.2Å; L1093-R1097 PolarHBondContact O-N 2.81Å; N1094-R1097 PolarHBondContact O-N 2.78Å; N1094-R1097 PolarHBondContact OD1-NH1 2.95Å; N1094-R1097 PolarHBondContact OD1-NH2 3.44Å; R1097-F1113 HydrophobicContact CB-CE1 4.04Å; R1097-F1113 HydrophobicContact CB-CZ 4.04Å; R1097-F1113 HydrophobicContact CG-CE1 4.45Å
1098	D	86.3	Confident	76	Confident	35 Å²	35	48.6 Å²	48.6	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-80.7	-26.4	-172.7	-64.3	-14.6	0	0	0	112.9	V893 K897 Y961 N1094 F1095 I1096	V893-D1098 HydrophobicContact CG1-CB 4.17Å; K897-D1098 WeakPolarHBondContact CE-O 3.03Å; K897-D1098 PolarHBondContact NZ-O 3.31Å; Y961-D1098 WeakPolarHBondContact CE1-OD2 3.31Å; Y961-D1098 WeakPolarHBondContact OH-CB 3.36Å; Y961-D1098 VanDerWaalsContact OH-CG 3.29Å; Y961-D1098 PolarHBondContact OH-OD2 2.82Å; N1094-D1098 PolarHBondContact O-N 3.15Å; N1094-D1098 VanDerWaalsContact O-N 3.11Å; F1095-D1098 PolarHBondContact O-N 2.93Å; I1096-D1098 VanDerWaalsContact C-N 3.25Å; I1096-D1098 PolarHBondContact O-N 3.18Å
1099	F	81.4	Confident	74.7	Confident	27 Å²	27	45 Å²	45	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-120.3	-15.5	-174.9	-68.7	-74.8	0	0	0	115.8	V893 T896 K897 F900 L957 Y961 P1038 F1095 I1096	V893-F1099 HydrophobicContact CB-CZ 4.34Å; V893-F1099 HydrophobicContact CG1-CE2 4.41Å; V893-F1099 HydrophobicContact CG1-CZ 4.07Å; V893-F1099 HydrophobicContact CG2-CE2 4.14Å; V893-F1099 HydrophobicContact CG2-CZ 4.21Å; T896-F1099 HydrophobicContact CG2-CD1 4.35Å; T896-F1099 HydrophobicContact CG2-CE1 3.37Å; T896-F1099 HydrophobicContact CG2-CZ 3.65Å; K897-F1099 HydrophobicContact CG-CE1 4.05Å; F900-F1099 HydrophobicContact CE2-CD1 4.04Å; F900-F1099 HydrophobicContact CE2-CE1 4.4Å; L957-F1099 HydrophobicContact CD1-CE2 4.48Å; L957-F1099 HydrophobicContact CD1-CZ 4.49Å; L957-F1099 HydrophobicContact CD2-CE2 3.76Å; L957-F1099 HydrophobicContact CD2-CZ 3.75Å; L957-F1099 HydrophobicContact CG-CE2 4.47Å; Y961-F1099 HydrophobicContact CE2-CE2 4.19Å; Y961-F1099 WeakPolarHBondContact OH-CE2 3.36Å; P1038-F1099 HydrophobicContact CB-CB 3.97Å; P1038-F1099 HydrophobicContact CG-CB 3.61Å; F1095-F1099 AromaticContact CD2-CD2 3.64Å; F1095-F1099 HydrophobicContact CD2-CD2 3.64Å; F1095-F1099 AromaticContact CD2-CE2 3.98Å; F1095-F1099 HydrophobicContact CD2-CE2 3.98Å; F1095-F1099 AromaticContact CE2-CD2 3.53Å; F1095-F1099 HydrophobicContact CE2-CD2 3.53Å; F1095-F1099 AromaticContact CE2-CE2 3.9Å; F1095-F1099 HydrophobicContact CE2-CE2 3.9Å; F1095-F1099 HydrophobicContact CE2-CG 4.32Å; F1095-F1099 HydrophobicContact CG-CD2 4.5Å; F1095-F1099 HydrophobicContact CZ-CD2 4.33Å; F1095-F1099 WeakPolarHBondContact O-CD2 3.3Å; F1095-F1099 PolarHBondContact O-N 3.39Å; I1096-F1099 PolarHBondContact O-N 3.3Å
1100	A	70.7	Confident	73.7	Confident	10 Å²	10	48.1 Å²	48.1	8%	0.083	27%	0.266	C	S	.	.	S	Bend	trans	-65.7	148.8	171.4	0	0	0	0	0	108.8	F1042 I1096 S1102	F1042-A1100 HydrophobicContact CD2-CB 4.2Å; F1042-A1100 HydrophobicContact CE2-CB 4.44Å; I1096-A1100 HydrophobicContact CG2-CB 3.78Å; I1096-A1100 WeakPolarHBondContact O-CA 3.07Å; I1096-A1100 WeakPolarHBondContact O-CB 3.11Å; I1096-A1100 PolarHBondContact O-N 3.11Å; A1100-S1102 PolarHBondContact O-N 2.89Å
1101	P	61	Low	72.9	Confident	32 Å²	32	52.8 Å²	52.8	21%	0.208	28%	0.284	C	S	.	.	S	Bend	trans	-48	136.4	174.7	-22	31.5	0	0	0	111	V924 L938 I1039 L1103	V924-P1101 HydrophobicContact CB-CB 3.94Å; V924-P1101 HydrophobicContact CG1-CB 3Å; V924-P1101 HydrophobicContact CG1-CG 4.44Å; V924-P1101 HydrophobicContact CG2-CB 3.7Å; L938-P1101 HydrophobicContact CD2-CG 4.15Å; I1039-P1101 HydrophobicContact CD1-CG 4.32Å; I1039-P1101 HydrophobicContact CG1-CG 4.36Å; P1101-L1103 PolarHBondContact O-N 3.07Å
1102	S	54.8	Low	72.2	Confident	48 Å²	48	54 Å²	54	34%	0.336	29%	0.289	S	S	.	.			trans	-33	103.8	176.1	64.4	0	0	0	0	112.5	V924 A1100 D1104	V924-S1102 WeakPolarHBondContact CG1-OG 3.45Å; A1100-S1102 PolarHBondContact O-N 2.89Å; S1102-D1104 PolarHBondContact O-N 2.94Å
1103	L	47.7	Very low	71.8	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.141	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	13.3	166.5	-74.2	151.7	0	0	0	112.2	F1042 P1101 E1105 Q1110 F1113	F1042-L1103 HydrophobicContact CE2-CD2 3.9Å; F1042-L1103 HydrophobicContact CZ-CD2 3.74Å; P1101-L1103 PolarHBondContact O-N 3.07Å; L1103-E1105 VanDerWaalsContact C-N 3.28Å; L1103-E1105 PolarHBondContact O-N 3.32Å; L1103-Q1110 HydrophobicContact CB-CG 4.27Å; L1103-Q1110 HydrophobicContact CD2-CB 4.1Å; L1103-Q1110 HydrophobicContact CD2-CG 4.23Å; L1103-Q1110 WeakPolarHBondContact O-CG 3.32Å; L1103-Q1110 PolarHBondContact O-NE2 2.85Å; L1103-Q1110 PolarHBondContact O-OE1 3.32Å; L1103-F1113 HydrophobicContact CD1-CD1 3.59Å; L1103-F1113 HydrophobicContact CD1-CE1 3.67Å; L1103-F1113 HydrophobicContact CD1-CG 4.41Å; L1103-F1113 HydrophobicContact CD2-CB 4.17Å; L1103-F1113 HydrophobicContact CD2-CD1 4.16Å; L1103-F1113 HydrophobicContact CD2-CG 4.38Å
1104	D	45.5	Very low	71.4	Confident	141 Å²	141	56.2 Å²	56.2	75%	0.754	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.2	-168.4	-74.8	-23.2	0	0	0	113.6	S1102	S1102-D1104 PolarHBondContact O-N 2.94Å
1105	E	45.1	Very low	71.3	Confident	118 Å²	118	55.1 Å²	55.1	55%	0.551	30%	0.298	S	S	*	.	S	Bend	trans	-117	140.9	169.7	-66.7	-162.5	174.3	0	0	113.4	S925 L1103 G1107	S925-E1105 WeakPolarHBondContact CB-OE1 3.46Å; S925-E1105 VanDerWaalsContact O-OE2 3.11Å; L1103-E1105 VanDerWaalsContact C-N 3.28Å; L1103-E1105 PolarHBondContact O-N 3.32Å; E1105-G1107 PolarHBondContact O-N 3.19Å
1106	A	44.3	Very low	71.2	Confident	104 Å²	104	55.3 Å²	55.3	86%	0.86	30%	0.299	S	S	*	.			trans	-70.5	44.1	-156.8	0	0	0	0	0	116.3
1107	G	65	Low	71.3	Confident	36 Å²	36	57.7 Å²	57.7	37%	0.371	31%	0.31	S	S	.	.			trans	-81.4	160.8	-180	0	0	0	0	0	114.3	E1105 I1109 Q1110 Y1111	E1105-G1107 PolarHBondContact O-N 3.19Å; G1107-I1109 PolarHBondContact O-N 3.2Å; G1107-Q1110 PolarHBondContact O-N 3.38Å; G1107-Q1110 VanDerWaalsContact O-N 3.12Å; G1107-Y1111 PolarHBondContact O-N 2.85Å
1108	E	67.1	Low	71.5	Confident	164 Å²	164	55.5 Å²	55.5	77%	0.766	31%	0.311	S	S	*	.	H	α-helix	trans	-48.6	-29.6	168.9	-64.8	-176.6	165	0	0	112	Y1111 M1112	E1108-Y1111 WeakPolarHBondContact O-CB 3.45Å; E1108-Y1111 PolarHBondContact O-N 3.14Å; E1108-M1112 VanDerWaalsContact O-CG 3.3Å; E1108-M1112 WeakPolarHBondContact O-CG 3.12Å; E1108-M1112 PolarHBondContact O-N 3.1Å
1109	I	66.4	Low	71.8	Confident	51 Å²	51	53.8 Å²	53.8	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-72	-42.2	-177.8	-52.3	173.8	0	0	0	113.3	F1042 G1107 Y1111 M1112 F1113	F1042-I1109 HydrophobicContact CD1-CG2 4.21Å; F1042-I1109 HydrophobicContact CE1-CG2 3.22Å; F1042-I1109 HydrophobicContact CE2-CG2 4.28Å; F1042-I1109 HydrophobicContact CZ-CG2 3.26Å; G1107-I1109 PolarHBondContact O-N 3.2Å; I1109-Y1111 PolarHBondContact O-N 3.46Å; I1109-M1112 HydrophobicContact CB-CE 3.98Å; I1109-M1112 HydrophobicContact CG1-CE 3.72Å; I1109-M1112 HydrophobicContact CG2-CE 4.13Å; I1109-M1112 PolarHBondContact O-N 2.65Å; I1109-F1113 PolarHBondContact O-N 2.76Å
1110	Q	72.5	Confident	72.4	Confident	66 Å²	66	52.9 Å²	52.9	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-37.8	172.8	-177.6	-174.6	25.1	0	0	110.3	L1103 G1107 F1113 T1114	L1103-Q1110 HydrophobicContact CB-CG 4.27Å; L1103-Q1110 HydrophobicContact CD2-CB 4.1Å; L1103-Q1110 HydrophobicContact CD2-CG 4.23Å; L1103-Q1110 WeakPolarHBondContact O-CG 3.32Å; L1103-Q1110 PolarHBondContact O-NE2 2.85Å; L1103-Q1110 PolarHBondContact O-OE1 3.32Å; G1107-Q1110 PolarHBondContact O-N 3.38Å; G1107-Q1110 VanDerWaalsContact O-N 3.12Å; Q1110-F1113 PolarHBondContact O-N 2.96Å; Q1110-T1114 VanDerWaalsContact O-CB 3.29Å; Q1110-T1114 WeakPolarHBondContact O-CB 3.48Å; Q1110-T1114 PolarHBondContact O-N 3.16Å; Q1110-T1114 PolarHBondContact O-OG1 3.14Å
1111	Y	78.9	Confident	73.4	Confident	98 Å²	98	56.6 Å²	56.6	38%	0.384	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-44.5	176.5	176.8	-98.5	0	0	0	111.7	A1070 L1073 G1107 E1108 I1109 F1113 T1114 T1115	A1070-Y1111 WeakPolarHBondContact CA-OH 3.28Å; A1070-Y1111 HydrophobicContact CB-CE2 4.25Å; A1070-Y1111 WeakPolarHBondContact CB-OH 3.32Å; L1073-Y1111 HydrophobicContact CD2-CD1 4.41Å; L1073-Y1111 HydrophobicContact CD2-CE1 3.5Å; L1073-Y1111 VanDerWaalsContact CD2-CE1 3.5Å; G1107-Y1111 PolarHBondContact O-N 2.85Å; E1108-Y1111 WeakPolarHBondContact O-CB 3.45Å; E1108-Y1111 PolarHBondContact O-N 3.14Å; I1109-Y1111 PolarHBondContact O-N 3.46Å; Y1111-F1113 PolarHBondContact O-N 2.73Å; Y1111-T1114 PolarHBondContact O-N 3.03Å; Y1111-T1115 VanDerWaalsContact O-CB 3.29Å; Y1111-T1115 WeakPolarHBondContact O-CB 3.23Å; Y1111-T1115 PolarHBondContact O-N 3.23Å; Y1111-T1115 PolarHBondContact O-OG1 3.4Å
1112	M	82.7	Confident	74.8	Confident	24 Å²	24	59.8 Å²	59.8	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-46.8	173	-71.8	-174	-69	0	0	112.5	A1046 F1049 E1108 I1109 T1115 L1116	A1046-M1112 HydrophobicContact CB-CE 4.19Å; F1049-M1112 HydrophobicContact CB-CG 3.99Å; F1049-M1112 HydrophobicContact CB-SD 3.16Å; F1049-M1112 WeakPolarHBondContact CB-SD 3.12Å; F1049-M1112 HydrophobicContact CD1-CB 4.21Å; F1049-M1112 HydrophobicContact CD1-CG 3.66Å; F1049-M1112 HydrophobicContact CD1-SD 4.05Å; F1049-M1112 HydrophobicContact CD2-CB 3.71Å; F1049-M1112 HydrophobicContact CD2-CG 3.83Å; F1049-M1112 HydrophobicContact CD2-SD 3.83Å; F1049-M1112 HydrophobicContact CE1-CB 4.19Å; F1049-M1112 HydrophobicContact CE1-CG 4.03Å; F1049-M1112 HydrophobicContact CE2-CB 3.68Å; F1049-M1112 HydrophobicContact CE2-CG 4.18Å; F1049-M1112 WeakPolarHBondContact CE2-O 3.42Å; F1049-M1112 HydrophobicContact CG-CB 3.99Å; F1049-M1112 HydrophobicContact CG-CG 3.56Å; F1049-M1112 HydrophobicContact CG-SD 3.43Å; F1049-M1112 WeakPolarHBondContact CG-SD 3.41Å; F1049-M1112 HydrophobicContact CZ-CB 3.92Å; F1049-M1112 HydrophobicContact CZ-CG 4.27Å; F1049-M1112 VanDerWaalsContact CZ-O 3.26Å; F1049-M1112 WeakPolarHBondContact CZ-O 3.5Å; E1108-M1112 VanDerWaalsContact O-CG 3.3Å; E1108-M1112 WeakPolarHBondContact O-CG 3.12Å; E1108-M1112 PolarHBondContact O-N 3.1Å; I1109-M1112 HydrophobicContact CB-CE 3.98Å; I1109-M1112 HydrophobicContact CG1-CE 3.72Å; I1109-M1112 HydrophobicContact CG2-CE 4.13Å; I1109-M1112 PolarHBondContact O-N 2.65Å; M1112-T1115 WeakPolarHBondContact O-CB 3.44Å; M1112-T1115 PolarHBondContact O-N 3.3Å; M1112-L1116 PolarHBondContact O-N 3.5Å
1113	F	85.4	Confident	76.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-42	179.1	-173	-111.3	0	0	0	112.6	F1042 I1045 L1093 I1096 R1097 L1103 I1109 Q1110 Y1111 T1115 L1116 Q1117	F1042-F1113 HydrophobicContact CE2-CB 4.48Å; F1042-F1113 HydrophobicContact CE2-CD2 4.41Å; F1042-F1113 HydrophobicContact CE2-CG 4.47Å; I1045-F1113 HydrophobicContact CD1-CD2 3.99Å; I1045-F1113 HydrophobicContact CD1-CE2 4.23Å; L1093-F1113 HydrophobicContact CD2-CD2 4.44Å; L1093-F1113 HydrophobicContact CD2-CE2 3.82Å; L1093-F1113 HydrophobicContact CD2-CZ 4.48Å; L1093-F1113 WeakPolarHBondContact O-CZ 3.34Å; I1096-F1113 HydrophobicContact CB-CE2 3.97Å; I1096-F1113 HydrophobicContact CB-CZ 4.16Å; I1096-F1113 HydrophobicContact CG2-CD2 4.27Å; I1096-F1113 HydrophobicContact CG2-CE2 3.53Å; I1096-F1113 HydrophobicContact CG2-CZ 3.9Å; R1097-F1113 HydrophobicContact CB-CE1 4.04Å; R1097-F1113 HydrophobicContact CB-CZ 4.04Å; R1097-F1113 HydrophobicContact CG-CE1 4.45Å; L1103-F1113 HydrophobicContact CD1-CD1 3.59Å; L1103-F1113 HydrophobicContact CD1-CE1 3.67Å; L1103-F1113 HydrophobicContact CD1-CG 4.41Å; L1103-F1113 HydrophobicContact CD2-CB 4.17Å; L1103-F1113 HydrophobicContact CD2-CD1 4.16Å; L1103-F1113 HydrophobicContact CD2-CG 4.38Å; I1109-F1113 PolarHBondContact O-N 2.76Å; Q1110-F1113 PolarHBondContact O-N 2.96Å; Y1111-F1113 PolarHBondContact O-N 2.73Å; F1113-T1115 VanDerWaalsContact C-N 3.33Å; F1113-T1115 PolarHBondContact O-N 2.8Å; F1113-L1116 WeakPolarHBondContact O-CB 3.17Å; F1113-L1116 PolarHBondContact O-N 3.19Å; F1113-Q1117 HydrophobicContact CD1-CG 4.48Å; F1113-Q1117 HydrophobicContact CE1-CG 4.3Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.34Å; F1113-Q1117 PolarHBondContact O-N 3.16Å
1114	T	86.2	Confident	78.5	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-40.4	175.6	-56.8	0	0	0	0	110.8	Q1110 Y1111 L1116 Q1117 C1118	Q1110-T1114 VanDerWaalsContact O-CB 3.29Å; Q1110-T1114 WeakPolarHBondContact O-CB 3.48Å; Q1110-T1114 PolarHBondContact O-N 3.16Å; Q1110-T1114 PolarHBondContact O-OG1 3.14Å; Y1111-T1114 PolarHBondContact O-N 3.03Å; T1114-L1116 VanDerWaalsContact C-N 3.34Å; T1114-L1116 PolarHBondContact O-N 3.27Å; T1114-Q1117 WeakPolarHBondContact O-CB 3.5Å; T1114-Q1117 PolarHBondContact O-N 3.47Å; T1114-C1118 WeakPolarHBondContact O-CB 3.39Å; T1114-C1118 PolarHBondContact O-N 2.88Å; T1114-C1118 PolarHBondContact O-SG 3.21Å
1115	T	89.2	Confident	80.4	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-47.1	174.5	-64.1	0	0	0	0	110.6	F1049 L1073 V1074 T1077 Y1111 M1112 F1113 Q1117 C1118 C1119	F1049-T1115 HydrophobicContact CE1-CG2 4.14Å; F1049-T1115 HydrophobicContact CZ-CG2 4.07Å; L1073-T1115 HydrophobicContact CD2-CG2 4.27Å; L1073-T1115 HydrophobicContact CG-CG2 4.27Å; V1074-T1115 HydrophobicContact CG2-CG2 3.95Å; T1077-T1115 HydrophobicContact CG2-CG2 4.27Å; Y1111-T1115 VanDerWaalsContact O-CB 3.29Å; Y1111-T1115 WeakPolarHBondContact O-CB 3.23Å; Y1111-T1115 PolarHBondContact O-N 3.23Å; Y1111-T1115 PolarHBondContact O-OG1 3.4Å; M1112-T1115 WeakPolarHBondContact O-CB 3.44Å; M1112-T1115 PolarHBondContact O-N 3.3Å; F1113-T1115 VanDerWaalsContact C-N 3.33Å; F1113-T1115 PolarHBondContact O-N 2.8Å; T1115-Q1117 PolarHBondContact O-N 2.73Å; T1115-C1118 WeakPolarHBondContact O-CB 3.33Å; T1115-C1118 PolarHBondContact O-N 3.49Å; T1115-C1119 PolarHBondContact O-N 2.71Å; T1115-C1119 PolarHBondContact O-SG 2.99Å
1116	L	91	Very high	81.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-40.4	177.3	-169.9	69.1	0	0	0	112.3	F1029 I1045 T1077 L1081 L1093 M1112 F1113 T1114 C1119 Y1120	F1029-L1116 HydrophobicContact CE1-CD1 4.35Å; F1029-L1116 HydrophobicContact CE2-CD1 4.04Å; F1029-L1116 HydrophobicContact CE2-CD2 3.83Å; F1029-L1116 HydrophobicContact CZ-CD1 3.61Å; F1029-L1116 HydrophobicContact CZ-CD2 3.84Å; F1029-L1116 HydrophobicContact CZ-CG 4.29Å; I1045-L1116 HydrophobicContact CD1-CD2 3.88Å; I1045-L1116 HydrophobicContact CG1-CD2 4.09Å; I1045-L1116 HydrophobicContact CG2-CD2 4.29Å; T1077-L1116 HydrophobicContact CG2-CD1 4.27Å; L1081-L1116 HydrophobicContact CD1-CD1 3.93Å; L1081-L1116 HydrophobicContact CG-CD1 4.46Å; L1093-L1116 HydrophobicContact CD2-CD2 3.44Å; L1093-L1116 VanDerWaalsContact CD2-CD2 3.44Å; L1093-L1116 HydrophobicContact CD2-CG 3.93Å; M1112-L1116 PolarHBondContact O-N 3.5Å; F1113-L1116 WeakPolarHBondContact O-CB 3.17Å; F1113-L1116 PolarHBondContact O-N 3.19Å; T1114-L1116 VanDerWaalsContact C-N 3.34Å; T1114-L1116 PolarHBondContact O-N 3.27Å; L1116-C1119 PolarHBondContact O-N 3.31Å; L1116-Y1120 WeakPolarHBondContact O-CB 3.23Å; L1116-Y1120 PolarHBondContact O-N 3.46Å
1117	Q	90.9	Very high	82.5	Confident	50 Å²	50	57 Å²	57	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-42.7	173.4	-73.4	-178.3	-21.3	0	0	112.1	L1093 F1113 T1114 T1115 Y1120 Q1121	L1093-Q1117 HydrophobicContact CD1-CG 4.33Å; F1113-Q1117 HydrophobicContact CD1-CG 4.48Å; F1113-Q1117 HydrophobicContact CE1-CG 4.3Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.34Å; F1113-Q1117 PolarHBondContact O-N 3.16Å; T1114-Q1117 WeakPolarHBondContact O-CB 3.5Å; T1114-Q1117 PolarHBondContact O-N 3.47Å; T1115-Q1117 PolarHBondContact O-N 2.73Å; Q1117-Y1120 PolarHBondContact O-N 3.21Å; Q1117-Q1121 WeakPolarHBondContact O-CB 2.94Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.31Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.43Å; Q1117-Q1121 PolarHBondContact O-N 3.27Å
1118	C	90.4	Very high	81.8	Confident	66 Å²	66	62.3 Å²	62.3	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-45.3	175.5	-71.9	0	0	0	0	111.4	T1114 T1115 Y1120 Q1121 F1122	T1114-C1118 WeakPolarHBondContact O-CB 3.39Å; T1114-C1118 PolarHBondContact O-N 2.88Å; T1114-C1118 PolarHBondContact O-SG 3.21Å; T1115-C1118 WeakPolarHBondContact O-CB 3.33Å; T1115-C1118 PolarHBondContact O-N 3.49Å; C1118-Y1120 VanDerWaalsContact C-N 3.34Å; C1118-Y1120 PolarHBondContact O-N 2.8Å; C1118-Q1121 PolarHBondContact O-N 3.3Å; C1118-F1122 WeakPolarHBondContact O-CB 3.36Å; C1118-F1122 PolarHBondContact O-N 2.88Å
1119	C	92.1	Very high	80.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-44.6	176.1	-62.4	0	0	0	0	111.3	V1074 T1078 L1081 T1115 L1116 F1122 L1123	V1074-C1119 PolarHBondContact O-SG 2.71Å; T1078-C1119 PolarHBondContact OG1-SG 2.9Å; L1081-C1119 HydrophobicContact CD1-CB 3.68Å; T1115-C1119 PolarHBondContact O-N 2.71Å; T1115-C1119 PolarHBondContact O-SG 2.99Å; L1116-C1119 PolarHBondContact O-N 3.31Å; C1119-F1122 PolarHBondContact O-N 2.83Å; C1119-L1123 WeakPolarHBondContact O-CG 3.49Å; C1119-L1123 PolarHBondContact O-N 3.37Å
1120	Y	94.1	Very high	79.4	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-48.7	174.9	172.1	-99.3	0	0	0	111.9	S968 D969 Y972 L1089 G1090 L1093 L1116 Q1117 C1118 F1122 L1123 V1124	S968-Y1120 VanDerWaalsContact CB-OH 3.28Å; S968-Y1120 WeakPolarHBondContact CB-OH 3.42Å; D969-Y1120 WeakPolarHBondContact OD1-CE2 3.11Å; D969-Y1120 PolarHBondContact OD1-OH 3.1Å; Y972-Y1120 HydrophobicContact CD1-CE2 4.19Å; Y972-Y1120 AromaticContact CD2-CD2 3.57Å; Y972-Y1120 HydrophobicContact CD2-CD2 3.57Å; Y972-Y1120 AromaticContact CD2-CE2 3.75Å; Y972-Y1120 HydrophobicContact CD2-CE2 3.75Å; Y972-Y1120 AromaticContact CE2-CD2 3.83Å; Y972-Y1120 HydrophobicContact CE2-CD2 3.83Å; Y972-Y1120 HydrophobicContact CE2-CE2 4.31Å; Y972-Y1120 HydrophobicContact CG-CD2 4Å; Y972-Y1120 AromaticContact CG-CE2 3.66Å; Y972-Y1120 HydrophobicContact CG-CE2 3.66Å; L1089-Y1120 HydrophobicContact CB-CD2 4.12Å; L1089-Y1120 HydrophobicContact CB-CE2 4.33Å; L1089-Y1120 HydrophobicContact CD2-CD2 4.07Å; L1089-Y1120 HydrophobicContact CG-CD2 4.1Å; G1090-Y1120 VanDerWaalsContact CA-CZ 3.42Å; G1090-Y1120 WeakPolarHBondContact CA-OH 3.42Å; L1093-Y1120 HydrophobicContact CD1-CD1 4.32Å; L1093-Y1120 HydrophobicContact CD1-CG 3.97Å; L1116-Y1120 WeakPolarHBondContact O-CB 3.23Å; L1116-Y1120 PolarHBondContact O-N 3.46Å; Q1117-Y1120 PolarHBondContact O-N 3.21Å; C1118-Y1120 VanDerWaalsContact C-N 3.34Å; C1118-Y1120 PolarHBondContact O-N 2.8Å; Y1120-F1122 VanDerWaalsContact C-N 3.34Å; Y1120-F1122 PolarHBondContact O-N 3.47Å; Y1120-L1123 PolarHBondContact O-N 3.04Å; Y1120-V1124 HydrophobicContact CD1-CG2 4.15Å; Y1120-V1124 HydrophobicContact CD2-CG2 4.31Å; Y1120-V1124 HydrophobicContact CE1-CG2 3.68Å; Y1120-V1124 HydrophobicContact CE2-CG2 3.89Å; Y1120-V1124 HydrophobicContact CG-CG2 4.44Å; Y1120-V1124 WeakPolarHBondContact O-CG2 3.44Å; Y1120-V1124 PolarHBondContact O-N 2.88Å
1121	Q	91.4	Very high	79.8	Confident	89 Å²	89	57.1 Å²	57.1	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-40.1	179.4	-72.6	-63.9	-31.5	0	0	112.2	Q1117 C1118 L1123 V1124 Q1125	Q1117-Q1121 WeakPolarHBondContact O-CB 2.94Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.31Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.43Å; Q1117-Q1121 PolarHBondContact O-N 3.27Å; C1118-Q1121 PolarHBondContact O-N 3.3Å; Q1121-L1123 VanDerWaalsContact C-N 3.34Å; Q1121-L1123 PolarHBondContact O-N 2.8Å; Q1121-V1124 PolarHBondContact O-N 3.42Å; Q1121-Q1125 WeakPolarHBondContact O-CB 3.37Å; Q1121-Q1125 WeakPolarHBondContact O-CG 3.18Å; Q1121-Q1125 PolarHBondContact O-N 3.48Å
1122	F	89.6	Confident	79.8	Confident	98 Å²	98	54.9 Å²	54.9	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-57.4	-46.6	173	172	-104.2	0	0	0	111.3	L991 T1078 C1118 C1119 Y1120 V1124 Q1125 S1126	L991-F1122 HydrophobicContact CD2-CE1 4.25Å; T1078-F1122 HydrophobicContact CG2-CD1 4.18Å; T1078-F1122 HydrophobicContact CG2-CE1 4.37Å; C1118-F1122 WeakPolarHBondContact O-CB 3.36Å; C1118-F1122 PolarHBondContact O-N 2.88Å; C1119-F1122 PolarHBondContact O-N 2.83Å; Y1120-F1122 VanDerWaalsContact C-N 3.34Å; Y1120-F1122 PolarHBondContact O-N 3.47Å; F1122-V1124 PolarHBondContact O-N 3.36Å; F1122-Q1125 PolarHBondContact O-N 3.25Å; F1122-S1126 WeakPolarHBondContact O-CB 3.46Å; F1122-S1126 PolarHBondContact O-N 3.12Å; F1122-S1126 VanDerWaalsContact O-N 3.08Å; F1122-S1126 PolarHBondContact O-OG 2.64Å
1123	L	90.5	Very high	79.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-30	177.4	-69.1	171.8	0	0	0	113.2	Y972 N975 I976 T1078 L1081 I1082 C1119 Y1120 Q1121 I1129	Y972-L1123 HydrophobicContact CD2-CB 3.93Å; Y972-L1123 HydrophobicContact CD2-CD1 4.33Å; Y972-L1123 HydrophobicContact CE2-CB 4.33Å; Y972-L1123 HydrophobicContact CE2-CD1 3.89Å; N975-L1123 WeakPolarHBondContact CB-O 3.29Å; N975-L1123 PolarHBondContact ND2-O 3.49Å; I976-L1123 HydrophobicContact CD1-CD1 4.32Å; I976-L1123 HydrophobicContact CG1-CD1 4.27Å; T1078-L1123 HydrophobicContact CG2-CD1 4.25Å; T1078-L1123 HydrophobicContact CG2-CD2 4.18Å; T1078-L1123 HydrophobicContact CG2-CG 4.23Å; L1081-L1123 HydrophobicContact CD1-CD1 4.34Å; L1081-L1123 HydrophobicContact CD2-CD1 3.67Å; I1082-L1123 HydrophobicContact CD1-CD2 4.05Å; I1082-L1123 HydrophobicContact CG1-CD1 3.97Å; I1082-L1123 HydrophobicContact CG1-CD2 4.07Å; C1119-L1123 WeakPolarHBondContact O-CG 3.49Å; C1119-L1123 PolarHBondContact O-N 3.37Å; Y1120-L1123 PolarHBondContact O-N 3.04Å; Q1121-L1123 VanDerWaalsContact C-N 3.34Å; Q1121-L1123 PolarHBondContact O-N 2.8Å; L1123-I1129 HydrophobicContact CD2-CD1 4.22Å
1124	V	90.3	Very high	79.3	Confident	27 Å²	27	59.8 Å²	59.8	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-71.9	-42.7	174.6	171.6	0	0	0	0	111.5	A971 Y1120 Q1121 F1122	A971-V1124 HydrophobicContact CB-CG1 4.34Å; Y1120-V1124 HydrophobicContact CD1-CG2 4.15Å; Y1120-V1124 HydrophobicContact CD2-CG2 4.31Å; Y1120-V1124 HydrophobicContact CE1-CG2 3.68Å; Y1120-V1124 HydrophobicContact CE2-CG2 3.89Å; Y1120-V1124 HydrophobicContact CG-CG2 4.44Å; Y1120-V1124 WeakPolarHBondContact O-CG2 3.44Å; Y1120-V1124 PolarHBondContact O-N 2.88Å; Q1121-V1124 PolarHBondContact O-N 3.42Å; F1122-V1124 PolarHBondContact O-N 3.36Å
1125	Q	85.3	Confident	78.9	Confident	136 Å²	136	60 Å²	60	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-84	-19.4	-171.9	-68.9	-179.7	16.7	0	0	114	Q1121 F1122 K1127	Q1121-Q1125 WeakPolarHBondContact O-CB 3.37Å; Q1121-Q1125 WeakPolarHBondContact O-CG 3.18Å; Q1121-Q1125 PolarHBondContact O-N 3.48Å; F1122-Q1125 PolarHBondContact O-N 3.25Å; Q1125-K1127 PolarHBondContact O-N 3.19Å
1126	S	72.7	Confident	78.2	Confident	21 Å²	21	63.6 Å²	63.6	15%	0.147	35%	0.352	C	S	.	.			trans	-69.1	90.8	-177.4	-63	0	0	0	0	111.4	N975 F1122 N1128 I1129	N975-S1126 PolarHBondContact ND2-O 3.36Å; N975-S1126 VanDerWaalsContact ND2-O 3.11Å; F1122-S1126 WeakPolarHBondContact O-CB 3.46Å; F1122-S1126 PolarHBondContact O-N 3.12Å; F1122-S1126 VanDerWaalsContact O-N 3.08Å; F1122-S1126 PolarHBondContact O-OG 2.64Å; S1126-N1128 PolarHBondContact O-N 3.1Å; S1126-I1129 VanDerWaalsContact CB-CD1 3.4Å; S1126-I1129 VanDerWaalsContact CB-CG1 3.41Å
1127	K	60.2	Low	77.3	Confident	195 Å²	195	67.9 Å²	67.9	85%	0.848	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	176.8	-70.6	-174.7	177.5	-178	0	113.5	Q1125	Q1125-K1127 PolarHBondContact O-N 3.19Å
1128	N	51	Low	76.2	Confident	148 Å²	148	69.3 Å²	69.3	79%	0.791	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	43	-167.1	-69.1	-18.2	0	0	0	112.7	S1126 G1130	S1126-N1128 PolarHBondContact O-N 3.1Å; N1128-G1130 PolarHBondContact O-N 3.17Å
1129	I	48.6	Very low	75	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.046	38%	0.382	C	S	.	.			trans	-76.8	-3.4	161.4	-51.5	177.6	0	0	0	111.1	H978 V979 H990 L1123 S1126	H978-I1129 PolarHBondContact CD2-O 3.37Å; H978-I1129 VanDerWaalsContact CD2-O 3.24Å; H978-I1129 PolarHBondContact NE2-O 2.98Å; V979-I1129 HydrophobicContact CB-CG2 4.31Å; V979-I1129 HydrophobicContact CG1-CG2 4.41Å; V979-I1129 HydrophobicContact CG2-CB 3.89Å; V979-I1129 HydrophobicContact CG2-CD1 3.76Å; V979-I1129 HydrophobicContact CG2-CG1 4.4Å; V979-I1129 HydrophobicContact CG2-CG2 3.29Å; H990-I1129 WeakPolarHBondContact NE2-CG2 3.36Å; L1123-I1129 HydrophobicContact CD2-CD1 4.22Å; S1126-I1129 VanDerWaalsContact CB-CD1 3.4Å; S1126-I1129 VanDerWaalsContact CB-CG1 3.41Å
1130	G	35	Very low	73.5	Confident	105 Å²	105	75.9 Å²	75.9	100%	1.082	42%	0.417	S	S	*	.			trans	-34.4	0	163.9	0	0	0	0	0	114.1	H978 N1128	H978-G1130 WeakPolarHBondContact NE2-CA 3.34Å; H978-G1130 PolarHBondContact NE2-OXT 3.15Å; N1128-G1130 PolarHBondContact O-N 3.17Å

Retrieved 1,130 of 1,130 residues in 655.6 ms (Link to these results)

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