A0A5K4F1J1_SCHMA Loading...

Calpain catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1J1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,817 aa.

						>A0A5K4F1J1_SCHMA|A0A5K4F1J1
MMMNMSHLPNYIYEWKPWEHIYAMTKITKDNNSNTPQYNPYGKYIVKLYWMGCWRKIIIDDSIPFDENNKPLLPQSKQPHELWPMLLTKALLKIVSIDCKTIHNTTTTTEIGDFSTIQCLTGWIKHTIVVKKQSIDKLWNYLSDYLLDWERPEDIMMKRNEKLLKMEQMEMIEKIEHHGVISSVEKNKETNKEKKDQTDHNTTKLMNPKIPETIIFASCKNTVSSLASLVPSATKEEITMKLKQFGFSYTDSYPICIAKRRTIPIIPPSPIQPTPQWKLIRPRPPDFPFDSSNDSDLHSNKEKEPIRSLLLWTPVQEHIFYEPEKVILSPPTSTVESVYVSSSSPDTGKQNSGIMKTRSNSQTSPTRRRRESSSNNPSPSKTQKRGSREDILKKEKSTSGITNKSKEVKGQNKTPETSGSSQLNSSSRTTNSLHMKSSGEDIMPEIPIKSISVTNPKETWIDIKDFCEIFKTVDIYHKPNTYSIVKTYSNIKPSYQSKVHYLFCDSIQPCEIIIQLSVIYQWPIPIAKRLTPTTYSRGLTCMPETDDVVTMPTNERSSIHFLPVTTTSASFVRDDNSHSQNNSPDDLQSTTCGINPSVQTSSSTSSSSSSSTPPSSLLIETYHWNKSIQGDPIKYVETTGSSSISLLLPFSRYCYKLLITAPLGYVITILGRIRSSIINTKYNSFMKGIHQSSMNVMLDDYDYILLNGITTYPLLIRYYANQLISCMVSIGQALEVLVHLTETYEQHIHESLVTTTTTHSNNNNNGTIINNSELNELEFKEKLTSAIKNFNDKHEELKQFLSIWPNQKIIKPTLLSILQRLTENSGTSDMNYAWCILQKDFITINPFRVTYGHETVSNPPPVSITKQKSKVLSSRGEKANQSVKINPIEETIISRWNQPIDPDILVAIVRIQSLFRGYRIRNAIRLNQPNYMIETLLSIIHSHNKSNINQHTTTNTTTIDNRFLHKVSLLRIKRLSIGWMNCLNLLQQGQIQFEAGNQIIEKLILTNNDDSDLQSKFYKDLNSYLSIKEYSGNYSEIPSPYLMHHTGESQFTNMDESFHKDWIHLLFRDCIYSSTMLKNEVMINEEEVKYSFRLKTTVSNSYILLINNDNGEIIQPSIEYPYSWLNLKVNHHGYSLLGIVNNPLAPIPSGKWNLQLLGPGIIGNENLPKPIGTTLNLCSNFYTIELEDYYEPNLKNLLFRRRIIASNDSLITIHLRLSVPNVYTRLCIKMGNKEMIFAEGYGGACIYAYIILADTIIEEKKRQTPNSGRLLEVNKTDGIKLSLKDVVSSKVTLNKLNTSKISPRRSASVKKNMKPGSSSSSSTGGSTTGSGRGSSSTNSANIERTHHYEQSNTSSPHSHMLNSQRLEQEQEQEEEEERYYWIEAYVDGKNWPLSISNWSFLEEQRCNKLEECQVNNTTSRSTSADKSSDSRTIKSATKSPGNKTIGVTGQKSGSTRGTSAKIDYNQAHWKMRIICNNSNDIKIMNMDNKMSEIKALKRAWEEMEPGRAIRAELSRARYLEEYGLMNEPDHKTYVDDSGSEITMKSDDNPISTLDPSKIYCLTLPSQLNHTIKPIKLMSFNKFYLKFNEMKLKQIEQIKNLFYPYNTTYNTTTNNNTTNSNTNNNTTNYTTYNTTNITTNDTTNDTTNNTTNNTTYNTTHNDTTNNTTYNITNSIMINMNQWLIINQYLKQIELLSNQNMNQLMKIKYELFNELMENFKFNLMNSKNKFNQFKQNYIEILKTIQFLNDEAHYKYYELCNNYKNNIIKQYENDKEFNQLINNESVTMPTMLSPIETLQKRERTKSSKSSKSGSNKKIKI
					

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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	25.7	Very low	25.7	Very low	140 Å²	140	138.9 Å²	138.9	69%	0.69	71%	0.708	S	S	*	*				0	150.8	0	-70.6	155.8	175	0	0	107.9	W15 T121	M1-W15 HydrophobicContact SD-CZ3 4.12Å; M1-T121 HydrophobicContact CE-CG2 4.08Å; M1-T121 HydrophobicContact SD-CG2 4.36Å
2	M	24.6	Very low	26.3	Very low	95 Å²	95	137 Å²	137	47%	0.468	70%	0.698	S	S	.	*			trans	-147.2	113.6	-175.2	-85.9	179.4	150.1	0	0	112.8	I12	M2-I12 HydrophobicContact CE-CD1 4.45Å; M2-I12 HydrophobicContact CE-CG2 3.55Å
3	M	22.5	Very low	27.2	Very low	138 Å²	138	141 Å²	141	68%	0.68	70%	0.702	S	S	*	*			trans	-100.8	96.1	146.7	-81.7	-164.1	178	0	0	107.8	M5	M3-M5 PolarHBondContact O-N 3.11Å
4	N	26.1	Very low	28.8	Very low	87 Å²	87	141 Å²	141	47%	0.465	70%	0.699	S	S	.	*			trans	-83.3	94.4	164	-101.2	36	0	0	0	108.7
5	M	23.9	Very low	30.6	Very low	154 Å²	154	136.9 Å²	136.9	76%	0.759	67%	0.672	S	S	*	*			trans	-75.1	155.8	159.6	-93.9	-78.6	-171.2	0	0	110.2	M3	M3-M5 PolarHBondContact O-N 3.11Å
6	S	24.9	Very low	33	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	65%	0.651	S	S	*	*	S	Bend	trans	73	143.9	168.3	76.5	0	0	0	0	119	L8	S6-L8 PolarHBondContact O-N 2.77Å
7	H	26.5	Very low	34.9	Very low	192 Å²	192	126.5 Å²	126.5	89%	0.889	62%	0.62	S	S	*	*	S	Bend	trans	-76.8	108.6	167.5	-66.6	-119.1	0	0	0	109.4
8	L	23.6	Very low	37	Very low	149 Å²	149	123.8 Å²	123.8	78%	0.78	60%	0.602	S	S	*	*			trans	-168.2	123.1	157.6	-106.1	150.7	0	0	0	108.8	S6	S6-L8 PolarHBondContact O-N 2.77Å
9	P	29.9	Very low	39	Very low	108 Å²	108	119.3 Å²	119.3	70%	0.701	58%	0.58	S	S	*	*	S	Bend	trans	-68.1	144.4	167.4	29.6	-32.8	0	0	0	109.5
10	N	26.8	Very low	41	Very low	148 Å²	148	114.9 Å²	114.9	79%	0.791	56%	0.558	S	S	*	*	S	Bend	trans	76.6	56.3	176.2	-43.5	-35.2	0	0	0	117.4
11	Y	28.2	Very low	42.8	Very low	213 Å²	213	109.4 Å²	109.4	84%	0.835	53%	0.532	S	S	*	.			trans	-163.7	127.1	134.2	-102.2	-68.1	0	0	0	110.5
12	I	33.1	Very low	45.4	Very low	116 Å²	116	106.6 Å²	106.6	60%	0.595	51%	0.514	S	S	*	.			trans	-108.1	107.5	171.7	-62.5	175.6	0	0	0	107.5	M2	M2-I12 HydrophobicContact CE-CD1 4.45Å; M2-I12 HydrophobicContact CE-CG2 3.55Å
13	Y	37.5	Very low	47.5	Very low	189 Å²	189	103 Å²	103	74%	0.741	50%	0.499	S	S	*	.			trans	-91	106	176	-145.4	-77.8	0	0	0	109	W15	Y13-W15 PolarHBondContact O-N 3.19Å; Y13-W15 VanDerWaalsContact O-N 3.09Å
14	E	50.1	Low	49.3	Very low	141 Å²	141	100.3 Å²	100.3	66%	0.659	49%	0.486	S	S	*	.			trans	-77.4	99.5	-175.9	-169.1	171.8	-129.1	0	0	110.9	K16	E14-K16 PolarHBondContact O-N 3.22Å
15	W	56	Low	50.9	Low	80 Å²	80	98.7 Å²	98.7	30%	0.303	48%	0.48	S	S	.	.			trans	-61.3	126.7	-173.4	179.2	79.9	0	0	0	113.2	M1 Y13 P17 H20 L120	M1-W15 HydrophobicContact SD-CZ3 4.12Å; Y13-W15 PolarHBondContact O-N 3.19Å; Y13-W15 VanDerWaalsContact O-N 3.09Å; W15-P17 HydrophobicContact CE3-CG 4.36Å; W15-P17 HydrophobicContact CH2-CB 3.8Å; W15-P17 HydrophobicContact CH2-CG 3.74Å; W15-P17 HydrophobicContact CZ2-CB 4.28Å; W15-P17 HydrophobicContact CZ3-CB 4.23Å; W15-P17 HydrophobicContact CZ3-CG 3.63Å; W15-H20 AromaticContact CD1-NE2 3.53Å; W15-H20 AromaticContact NE1-CD2 3.4Å; W15-H20 PolarHBondContact NE1-CD2 3.12Å; W15-H20 AromaticContact NE1-CE1 3.85Å; W15-H20 AromaticContact NE1-NE2 2.93Å; W15-H20 PolarHBondContact NE1-NE2 2.87Å; W15-L120 HydrophobicContact CH2-CB 4.37Å; W15-L120 HydrophobicContact CH2-CD2 4.28Å; W15-L120 WeakPolarHBondContact CH2-O 3.41Å; W15-L120 WeakPolarHBondContact CZ3-O 3.44Å
16	K	67.9	Low	52.2	Low	77 Å²	77	100.9 Å²	100.9	34%	0.335	49%	0.485	S	S	.	.			trans	-118	122.2	179.8	-75.4	157.4	-177.5	167.3	0	110.4	E14 W18 E19	E14-K16 PolarHBondContact O-N 3.22Å; K16-W18 VanDerWaalsContact C-N 3.27Å; K16-W18 HydrophobicContact CB-CD2 4.3Å; K16-W18 HydrophobicContact CB-CH2 4.45Å; K16-W18 HydrophobicContact CB-CZ2 3.86Å; K16-W18 HydrophobicContact CD-CZ2 3.97Å; K16-W18 HydrophobicContact CG-CH2 4.23Å; K16-W18 HydrophobicContact CG-CZ2 3.67Å; K16-W18 PolarHBondContact O-N 3.2Å; K16-W18 VanDerWaalsContact O-N 3.17Å; K16-E19 HydrophobicContact CB-CG 3.88Å; K16-E19 WeakPolarHBondContact CD-OE1 3.44Å; K16-E19 PolarHBondContact O-N 3Å
17	P	65.8	Low	53.5	Low	20 Å²	20	102.2 Å²	102.2	13%	0.13	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-57.3	-36.7	-172.3	-21.6	26.6	0	0	0	114.4	W15 H20 W83 L87	W15-P17 HydrophobicContact CE3-CG 4.36Å; W15-P17 HydrophobicContact CH2-CB 3.8Å; W15-P17 HydrophobicContact CH2-CG 3.74Å; W15-P17 HydrophobicContact CZ2-CB 4.28Å; W15-P17 HydrophobicContact CZ3-CB 4.23Å; W15-P17 HydrophobicContact CZ3-CG 3.63Å; P17-H20 PolarHBondContact O-N 3.04Å; P17-W83 HydrophobicContact CB-CE3 4.07Å; P17-W83 HydrophobicContact CB-CH2 4.28Å; P17-W83 HydrophobicContact CB-CZ3 3.57Å; P17-W83 HydrophobicContact CG-CH2 4.15Å; P17-W83 HydrophobicContact CG-CZ3 3.93Å; P17-L87 HydrophobicContact CB-CD2 3.63Å
18	W	73.5	Confident	54.6	Low	77 Å²	77	96.6 Å²	96.6	29%	0.292	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-74.7	-21.6	-176	54.4	78.9	0	0	0	114.2	K16 H20 I21 P36 W83	K16-W18 VanDerWaalsContact C-N 3.27Å; K16-W18 HydrophobicContact CB-CD2 4.3Å; K16-W18 HydrophobicContact CB-CH2 4.45Å; K16-W18 HydrophobicContact CB-CZ2 3.86Å; K16-W18 HydrophobicContact CD-CZ2 3.97Å; K16-W18 HydrophobicContact CG-CH2 4.23Å; K16-W18 HydrophobicContact CG-CZ2 3.67Å; K16-W18 PolarHBondContact O-N 3.2Å; K16-W18 VanDerWaalsContact O-N 3.17Å; W18-H20 PolarHBondContact O-N 3.5Å; W18-I21 PolarHBondContact O-N 3.37Å; W18-P36 HydrophobicContact CB-CB 4.38Å; W18-P36 HydrophobicContact CB-CG 3.81Å; W18-P36 HydrophobicContact CG-CG 4.48Å; W18-W83 HydrophobicContact CB-CB 4.45Å; W18-W83 HydrophobicContact CB-CG 4.39Å; W18-W83 HydrophobicContact CE3-CD2 4.33Å; W18-W83 HydrophobicContact CE3-CZ2 4.13Å; W18-W83 HydrophobicContact CZ3-CZ2 4.27Å
19	E	75.3	Confident	55.9	Low	39 Å²	39	99 Å²	99	18%	0.182	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-66.6	-8	177	-65.7	-178	175.9	0	0	112.6	K16 Y22 N34	K16-E19 HydrophobicContact CB-CG 3.88Å; K16-E19 WeakPolarHBondContact CD-OE1 3.44Å; K16-E19 PolarHBondContact O-N 3Å; E19-Y22 PolarHBondContact O-OH 3Å; E19-N34 HydrophobicContact CB-CB 4.48Å; E19-N34 PolarHBondContact O-ND2 3.44Å
20	H	77.4	Confident	57	Low	30 Å²	30	100.3 Å²	100.3	14%	0.139	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-90.7	-5.6	172.4	-69.8	-96.3	0	0	0	113.9	W15 P17 W18 Y22 V46 K47 W54	W15-H20 AromaticContact CD1-NE2 3.53Å; W15-H20 AromaticContact NE1-CD2 3.4Å; W15-H20 PolarHBondContact NE1-CD2 3.12Å; W15-H20 AromaticContact NE1-CE1 3.85Å; W15-H20 AromaticContact NE1-NE2 2.93Å; W15-H20 PolarHBondContact NE1-NE2 2.87Å; P17-H20 PolarHBondContact O-N 3.04Å; W18-H20 PolarHBondContact O-N 3.5Å; H20-Y22 WeakPolarHBondContact O-CD2 3.34Å; H20-Y22 WeakPolarHBondContact O-CE2 3.32Å; H20-V46 CarbonylContact O-C 3.58Å; H20-V46 VanDerWaalsContact O-CA 3.3Å; H20-V46 WeakPolarHBondContact O-CA 3.34Å; H20-K47 PolarHBondContact ND1-O 3.41Å; H20-K47 PolarHBondContact O-N 2.91Å; H20-W54 AromaticContact CE1-CH2 3.6Å; H20-W54 AromaticContact CE1-CZ3 3.64Å; H20-W54 AromaticContact ND1-CZ3 3.78Å
21	I	79.6	Confident	57.9	Low	1 Å²	1	96.8 Å²	96.8	1%	0.005	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.2	-176.9	-51	178.4	0	0	0	109.4	W18 Y44 V46 W83 L86 L87	W18-I21 PolarHBondContact O-N 3.37Å; I21-Y44 HydrophobicContact CG2-CD1 4.22Å; I21-V46 HydrophobicContact CG1-CG1 4.35Å; I21-V46 HydrophobicContact CG1-CG2 4.3Å; I21-V46 HydrophobicContact CG2-CG2 4.35Å; I21-W83 HydrophobicContact CD1-CB 3.86Å; I21-W83 WeakPolarHBondContact CD1-O 3.42Å; I21-L86 HydrophobicContact CD1-CB 4.34Å; I21-L86 HydrophobicContact CG2-CD1 4.49Å; I21-L87 HydrophobicContact CD1-CB 4.11Å; I21-L87 HydrophobicContact CD1-CD1 4.41Å; I21-L87 HydrophobicContact CG1-CD1 4.27Å
22	Y	79.9	Confident	58.9	Low	80 Å²	80	94.8 Å²	94.8	31%	0.314	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.8	-177.7	-56.8	-102.5	0	0	0	108.5	E19 H20 N34 Y44 I45 K47	E19-Y22 PolarHBondContact O-OH 3Å; H20-Y22 WeakPolarHBondContact O-CD2 3.34Å; H20-Y22 WeakPolarHBondContact O-CE2 3.32Å; Y22-N34 WeakPolarHBondContact CE1-ND2 3.46Å; Y22-Y44 WeakPolarHBondContact O-CA 3.44Å; Y22-I45 PolarHBondContact N-O 3.12Å; Y22-I45 PolarHBondContact O-N 2.98Å; Y22-K47 HydrophobicContact CE2-CB 3.98Å
23	A	68.8	Low	59.8	Low	20 Å²	20	92.2 Å²	92.2	17%	0.165	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.1	166.7	0	0	0	0	0	109.7	T25 Q37 N39 Y44	A23-T25 HydrophobicContact CB-CG2 4.29Å; A23-T25 WeakPolarHBondContact CB-OG1 3.48Å; A23-T25 PolarHBondContact O-N 3.15Å; A23-Q37 WeakPolarHBondContact CB-O 3.48Å; A23-N39 HydrophobicContact CB-CB 4.18Å; A23-Y44 HydrophobicContact CB-CD1 4.32Å; A23-Y44 HydrophobicContact CB-CE1 4.45Å
24	M	59.8	Low	60.7	Low	82 Å²	82	85.3 Å²	85.3	40%	0.404	42%	0.42	S	S	.	.	S	Bend	trans	-78.9	61.1	170.3	-70.1	-138.5	-75.1	0	0	111.2	N39 K43 I45 I58	M24-N39 PolarHBondContact N-ND2 3.27Å; M24-N39 PolarHBondContact O-ND2 3.48Å; M24-K43 HydrophobicContact CE-CB 4.18Å; M24-K43 PolarHBondContact N-O 2.87Å; M24-K43 VanDerWaalsContact N-O 3.16Å; M24-I45 HydrophobicContact CG-CD1 3.67Å; M24-I45 HydrophobicContact CG-CG1 3.87Å; M24-I45 HydrophobicContact SD-CD1 3.52Å; M24-I45 VanDerWaalsContact SD-CD1 3.52Å; M24-I45 HydrophobicContact SD-CG1 3.92Å; M24-I58 HydrophobicContact CE-CG2 4.46Å
25	T	60.2	Low	61.2	Low	53 Å²	53	81.5 Å²	81.5	33%	0.325	41%	0.407	S	S	.	.	S	Bend	trans	-124.2	165	175.7	54.1	0	0	0	0	109.4	A23 I27 N39	A23-T25 HydrophobicContact CB-CG2 4.29Å; A23-T25 WeakPolarHBondContact CB-OG1 3.48Å; A23-T25 PolarHBondContact O-N 3.15Å; T25-I27 PolarHBondContact O-N 2.94Å; T25-N39 HydrophobicContact CG2-CB 4.23Å; T25-N39 WeakPolarHBondContact CG2-OD1 3.46Å
26	K	52	Low	61.3	Low	200 Å²	200	80 Å²	80	87%	0.87	41%	0.407	S	S	*	.			trans	-72.4	115.6	172.6	-78.1	-176.6	176.6	177.3	0	109.1	T28	K26-T28 PolarHBondContact O-N 3.48Å; K26-T28 VanDerWaalsContact O-N 3.17Å
27	I	51.3	Low	61.4	Low	131 Å²	131	80.9 Å²	80.9	67%	0.672	41%	0.412	S	S	*	.			trans	-57.3	117.3	168.8	-58.6	171.5	0	0	0	107.9	T25	T25-I27 PolarHBondContact O-N 2.94Å
28	T	50.5	Low	61.7	Low	74 Å²	74	86.9 Å²	86.9	45%	0.454	43%	0.434	S	S	.	.			trans	-72	145.2	169.4	48	0	0	0	0	109.2	K26 D30	K26-T28 PolarHBondContact O-N 3.48Å; K26-T28 VanDerWaalsContact O-N 3.17Å; T28-D30 PolarHBondContact O-N 2.99Å
29	K	50.4	Low	61.8	Low	199 Å²	199	83.3 Å²	83.3	87%	0.865	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16	-172.9	-84.1	-172.3	169	-172.5	0	114.3
30	D	53.6	Low	61.9	Low	136 Å²	136	86.1 Å²	86.1	73%	0.727	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-15.8	-161.7	-33.8	-64.2	0	0	0	112.2	T28	T28-D30 PolarHBondContact O-N 2.99Å
31	N	46	Very low	61.9	Low	75 Å²	75	93.8 Å²	93.8	40%	0.401	47%	0.471	S	S	.	.			trans	-107.7	83.1	177.7	-78.3	-10.4	0	0	0	112.1	S33 Q37	N31-S33 PolarHBondContact O-N 3.08Å; N31-Q37 PolarHBondContact ND2-NE2 3.34Å
32	N	48.6	Very low	62	Low	170 Å²	170	94 Å²	94	91%	0.909	47%	0.474	S	S	*	.			trans	-68.5	-8.3	166.6	-94.6	-8.8	0	0	0	113.5
33	S	52	Low	62.2	Low	63 Å²	63	95.5 Å²	95.5	44%	0.441	48%	0.482	S	S	.	.	S	Bend	trans	-90.6	118.1	170.4	-174.6	0	0	0	0	109.8	N31 T35	N31-S33 PolarHBondContact O-N 3.08Å; S33-T35 PolarHBondContact O-N 2.99Å; S33-T35 PolarHBondContact O-OG1 3.48Å
34	N	56.4	Low	63.1	Low	43 Å²	43	94.8 Å²	94.8	23%	0.23	48%	0.475	C	S	.	.			trans	-74.8	70.9	-179.2	-161.8	39.5	0	0	0	111	E19 Y22	E19-N34 HydrophobicContact CB-CB 4.48Å; E19-N34 PolarHBondContact O-ND2 3.44Å; Y22-N34 WeakPolarHBondContact CE1-ND2 3.46Å
35	T	59.3	Low	64.4	Low	62 Å²	62	92.3 Å²	92.3	38%	0.38	46%	0.463	S	S	.	.			trans	-82.9	140.3	179.1	39.8	0	0	0	0	110.7	S33 Q37	S33-T35 PolarHBondContact O-N 2.99Å; S33-T35 PolarHBondContact O-OG1 3.48Å; T35-Q37 PolarHBondContact O-N 2.76Å
36	P	59.7	Low	65.7	Low	48 Å²	48	89.8 Å²	89.8	31%	0.312	45%	0.448	S	S	.	.			trans	-78	87.1	-172.4	32.3	-34.6	0	0	0	110.5	W18 W83	W18-P36 HydrophobicContact CB-CB 4.38Å; W18-P36 HydrophobicContact CB-CG 3.81Å; W18-P36 HydrophobicContact CG-CG 4.48Å; P36-W83 HydrophobicContact CB-CB 4.18Å; P36-W83 HydrophobicContact CG-CB 3.97Å; P36-W83 HydrophobicContact CG-CG 4.44Å
37	Q	68.9	Low	67.1	Low	95 Å²	95	84.4 Å²	84.4	44%	0.444	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-76.6	143.5	175.8	-65	-171.2	-12.8	0	0	111.9	A23 N31 T35 N39 Y44	A23-Q37 WeakPolarHBondContact CB-O 3.48Å; N31-Q37 PolarHBondContact ND2-NE2 3.34Å; T35-Q37 PolarHBondContact O-N 2.76Å; Q37-N39 PolarHBondContact O-N 3.08Å; Q37-Y44 WeakPolarHBondContact O-CE1 3.3Å
38	Y	72	Confident	68.4	Low	147 Å²	147	78.9 Å²	78.9	58%	0.576	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-62.7	130.2	173.1	177.3	-104.5	0	0	0	111.5	Y44 D61 L82	Y38-Y44 VanDerWaalsContact CD2-OH 3.26Å; Y38-Y44 WeakPolarHBondContact CD2-OH 3.24Å; Y38-D61 VanDerWaalsContact CE2-OD2 3.31Å; Y38-D61 WeakPolarHBondContact CE2-OD2 3.38Å; Y38-L82 HydrophobicContact CD2-CD1 4.3Å
39	N	76.9	Confident	69.3	Low	1 Å²	1	81.7 Å²	81.7	1%	0.005	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-96.3	119.8	173.7	-173	-2.8	0	0	0	110.8	A23 M24 T25 Q37 Y41 G42 K43 Y44	A23-N39 HydrophobicContact CB-CB 4.18Å; M24-N39 PolarHBondContact N-ND2 3.27Å; M24-N39 PolarHBondContact O-ND2 3.48Å; T25-N39 HydrophobicContact CG2-CB 4.23Å; T25-N39 WeakPolarHBondContact CG2-OD1 3.46Å; Q37-N39 PolarHBondContact O-N 3.08Å; N39-Y41 PolarHBondContact O-N 3.5Å; N39-Y41 VanDerWaalsContact O-N 3.09Å; N39-Y41 WeakPolarHBondContact OD1-CD2 3.32Å; N39-Y41 PolarHBondContact OD1-N 3.32Å; N39-G42 WeakPolarHBondContact O-CA 3.39Å; N39-G42 PolarHBondContact O-N 3.09Å; N39-K43 PolarHBondContact ND2-O 3.28Å; N39-Y44 HydrophobicContact CB-CE1 4.1Å; N39-Y44 HydrophobicContact CB-CE2 4.37Å; N39-Y44 PolarHBondContact N-OH 3.06Å
40	P	76.3	Confident	70.1	Confident	99 Å²	99	73.6 Å²	73.6	64%	0.643	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.4	173	-25.7	35.5	0	0	0	115.3	G42	P40-G42 VanDerWaalsContact C-N 3.31Å
41	Y	78.3	Confident	70.2	Confident	190 Å²	190	68.1 Å²	68.1	75%	0.745	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	4.9	173.4	-60.8	-71.1	0	0	0	113.8	N39 K43	N39-Y41 PolarHBondContact O-N 3.5Å; N39-Y41 VanDerWaalsContact O-N 3.09Å; N39-Y41 WeakPolarHBondContact OD1-CD2 3.32Å; N39-Y41 PolarHBondContact OD1-N 3.32Å; Y41-K43 WeakPolarHBondContact O-CG 3.49Å; Y41-K43 PolarHBondContact O-N 2.81Å
42	G	81.5	Confident	70.4	Confident	7 Å²	7	66.9 Å²	66.9	7%	0.072	34%	0.339	C	S	.	.			trans	65.5	-1.6	-178.6	0	0	0	0	0	116.4	N39 P40 Y44 D60 D61	N39-G42 WeakPolarHBondContact O-CA 3.39Å; N39-G42 PolarHBondContact O-N 3.09Å; P40-G42 VanDerWaalsContact C-N 3.31Å; G42-Y44 VanDerWaalsContact O-CD2 3.23Å; G42-Y44 WeakPolarHBondContact O-CD2 3.39Å; G42-Y44 WeakPolarHBondContact O-CE2 3.41Å; G42-D60 CarbonylContact O-C 3.56Å; G42-D60 WeakPolarHBondContact O-CA 3.4Å; G42-D61 VanDerWaalsContact CA-CG 3.49Å; G42-D61 WeakPolarHBondContact CA-OD1 3.41Å; G42-D61 WeakPolarHBondContact CA-OD2 3.41Å; G42-D61 PolarHBondContact O-N 3.38Å
43	K	84.2	Confident	70.8	Confident	111 Å²	111	61.2 Å²	61.2	48%	0.483	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.2	-167.1	-73.1	168.6	-172.7	174.6	0	113.6	M24 N39 Y41 I59	M24-K43 HydrophobicContact CE-CB 4.18Å; M24-K43 PolarHBondContact N-O 2.87Å; M24-K43 VanDerWaalsContact N-O 3.16Å; N39-K43 PolarHBondContact ND2-O 3.28Å; Y41-K43 WeakPolarHBondContact O-CG 3.49Å; Y41-K43 PolarHBondContact O-N 2.81Å; K43-I59 CarbonylContact C-O 3.56Å; K43-I59 WeakPolarHBondContact CA-O 3.3Å
44	Y	87.9	Confident	71.8	Confident	4 Å²	4	65 Å²	65	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.7	-179.2	-51.6	-103	0	0	0	109.9	I21 Y22 A23 Q37 Y38 N39 G42 I58 I59 D61 L86	I21-Y44 HydrophobicContact CG2-CD1 4.22Å; Y22-Y44 WeakPolarHBondContact O-CA 3.44Å; A23-Y44 HydrophobicContact CB-CD1 4.32Å; A23-Y44 HydrophobicContact CB-CE1 4.45Å; Q37-Y44 WeakPolarHBondContact O-CE1 3.3Å; Y38-Y44 VanDerWaalsContact CD2-OH 3.26Å; Y38-Y44 WeakPolarHBondContact CD2-OH 3.24Å; N39-Y44 HydrophobicContact CB-CE1 4.1Å; N39-Y44 HydrophobicContact CB-CE2 4.37Å; N39-Y44 PolarHBondContact N-OH 3.06Å; G42-Y44 VanDerWaalsContact O-CD2 3.23Å; G42-Y44 WeakPolarHBondContact O-CD2 3.39Å; G42-Y44 WeakPolarHBondContact O-CE2 3.41Å; Y44-I58 WeakPolarHBondContact O-CA 3.27Å; Y44-I59 PolarHBondContact N-O 2.89Å; Y44-I59 PolarHBondContact O-N 3.37Å; Y44-D61 HydrophobicContact CE2-CB 3.73Å; Y44-D61 PolarHBondContact OH-OD2 2.84Å; Y44-L86 HydrophobicContact CD1-CD1 3.92Å; Y44-L86 HydrophobicContact CD2-CD1 4.19Å; Y44-L86 HydrophobicContact CD2-CD2 3.8Å; Y44-L86 HydrophobicContact CE1-CD1 3.89Å; Y44-L86 HydrophobicContact CE2-CD1 4.21Å; Y44-L86 HydrophobicContact CE2-CD2 4.05Å; Y44-L86 HydrophobicContact CG-CD1 4.08Å; Y44-L86 HydrophobicContact CG-CD2 4.29Å
45	I	86.5	Confident	72.6	Confident	31 Å²	31	65.9 Å²	65.9	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.8	166.1	-69.7	160.2	0	0	0	107.5	Y22 M24 K56 I57 I58	Y22-I45 PolarHBondContact N-O 3.12Å; Y22-I45 PolarHBondContact O-N 2.98Å; M24-I45 HydrophobicContact CG-CD1 3.67Å; M24-I45 HydrophobicContact CG-CG1 3.87Å; M24-I45 HydrophobicContact SD-CD1 3.52Å; M24-I45 VanDerWaalsContact SD-CD1 3.52Å; M24-I45 HydrophobicContact SD-CG1 3.92Å; I45-K56 VanDerWaalsContact CD1-CE 3.46Å; I45-K56 HydrophobicContact CG2-CD 4.44Å; I45-K56 HydrophobicContact CG2-CG 3.67Å; I45-I57 CarbonylContact C-O 3.59Å; I45-I57 VanDerWaalsContact CA-O 3.31Å; I45-I57 WeakPolarHBondContact CA-O 3.48Å; I45-I58 HydrophobicContact CG1-CG1 4.24Å
46	V	86.5	Confident	73.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.6	170.4	-170.4	0	0	0	0	109.5	H20 I21 L48 I57 I59 L87 A90	H20-V46 CarbonylContact O-C 3.58Å; H20-V46 VanDerWaalsContact O-CA 3.3Å; H20-V46 WeakPolarHBondContact O-CA 3.34Å; I21-V46 HydrophobicContact CG1-CG1 4.35Å; I21-V46 HydrophobicContact CG1-CG2 4.3Å; I21-V46 HydrophobicContact CG2-CG2 4.35Å; V46-L48 HydrophobicContact CG1-CD1 4.35Å; V46-L48 HydrophobicContact CG1-CD2 3.77Å; V46-L48 HydrophobicContact CG1-CG 3.8Å; V46-I57 PolarHBondContact N-O 3.43Å; V46-I57 PolarHBondContact O-N 2.81Å; V46-I59 HydrophobicContact CG2-CD1 3.78Å; V46-I59 HydrophobicContact CG2-CG1 4.08Å; V46-L87 HydrophobicContact CG1-CD1 3.79Å; V46-A90 HydrophobicContact CB-CB 3.61Å; V46-A90 HydrophobicContact CG1-CB 3.88Å; V46-A90 HydrophobicContact CG2-CB 3.64Å
47	K	82.3	Confident	75.1	Confident	87 Å²	87	68.6 Å²	68.6	38%	0.378	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	92.7	-179.9	-176.5	-171.3	173.5	-173.4	0	109.8	H20 Y22 W54	H20-K47 PolarHBondContact ND1-O 3.41Å; H20-K47 PolarHBondContact O-N 2.91Å; Y22-K47 HydrophobicContact CE2-CB 3.98Å; K47-W54 HydrophobicContact CD-CE3 4.28Å; K47-W54 HydrophobicContact CG-CE3 3.8Å; K47-W54 HydrophobicContact CG-CZ3 4.3Å
48	L	78.5	Confident	76	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149.6	-178.2	-62.9	176.3	0	0	0	111.1	V46 R55 I57 L87 A90 L91 I94	V46-L48 HydrophobicContact CG1-CD1 4.35Å; V46-L48 HydrophobicContact CG1-CD2 3.77Å; V46-L48 HydrophobicContact CG1-CG 3.8Å; L48-R55 PolarHBondContact N-O 3.41Å; L48-R55 PolarHBondContact O-N 2.92Å; L48-I57 HydrophobicContact CD1-CG1 4.2Å; L48-L87 HydrophobicContact CD2-CD1 4.02Å; L48-A90 HydrophobicContact CD1-CB 3.84Å; L48-L91 HydrophobicContact CD1-CD2 3.83Å; L48-L91 HydrophobicContact CD1-CG 3.88Å; L48-L91 HydrophobicContact CD2-CD2 4.39Å; L48-L91 HydrophobicContact CD2-CG 4.46Å; L48-I94 HydrophobicContact CB-CD1 4.05Å; L48-I94 HydrophobicContact CD1-CD1 3.64Å; L48-I94 HydrophobicContact CD1-CG1 4.5Å; L48-I94 HydrophobicContact CG-CD1 4.48Å
49	Y	69.4	Low	76.7	Confident	134 Å²	134	60.8 Å²	60.8	53%	0.525	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.2	170.6	-169.4	-104.2	0	0	0	108.7	G52 W54	Y49-G52 PolarHBondContact OH-O 2.87Å; Y49-W54 AromaticContact CD2-CD1 3.96Å; Y49-W54 AromaticContact CD2-CD2 3.78Å; Y49-W54 HydrophobicContact CD2-CD2 3.78Å; Y49-W54 AromaticContact CD2-CE2 3.74Å; Y49-W54 HydrophobicContact CD2-CE3 4.31Å; Y49-W54 AromaticContact CD2-CG 3.93Å; Y49-W54 HydrophobicContact CD2-CG 3.93Å; Y49-W54 HydrophobicContact CD2-CZ2 4.25Å; Y49-W54 AromaticContact CD2-NE1 3.84Å; Y49-W54 HydrophobicContact CG-CD2 4.49Å
50	W	66.9	Low	77.2	Confident	28 Å²	28	63.3 Å²	63.3	11%	0.106	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	130.2	-172.7	-174.5	-95.8	0	0	0	112	C53 R55 I94 V95 F114	W50-C53 PolarHBondContact N-O 2.91Å; W50-C53 PolarHBondContact O-N 2.84Å; W50-C53 PolarHBondContact O-SG 3.04Å; W50-C53 VanDerWaalsContact O-SG 3.34Å; W50-R55 HydrophobicContact CB-CG 4.47Å; W50-R55 PolarHBondContact O-NE 3.33Å; W50-I94 HydrophobicContact CB-CD1 4.08Å; W50-I94 HydrophobicContact CD2-CD1 4.47Å; W50-I94 HydrophobicContact CD2-CG2 3.71Å; W50-I94 VanDerWaalsContact CE2-CG2 3.45Å; W50-I94 HydrophobicContact CE3-CG2 4.44Å; W50-I94 HydrophobicContact CG-CD1 4.17Å; W50-I94 HydrophobicContact CG-CG2 3.81Å; W50-I94 HydrophobicContact CZ2-CG2 4.01Å; W50-V95 HydrophobicContact CH2-CG2 4.22Å; W50-F114 HydrophobicContact CH2-CD2 4.13Å; W50-F114 HydrophobicContact CZ3-CD2 4.32Å; W50-F114 HydrophobicContact CZ3-CE2 4.39Å
51	M	56.4	Low	77.7	Confident	22 Å²	22	60.2 Å²	60.2	11%	0.108	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	57.7	-174.5	-66.8	177.8	162.7	0	0	112.2	C53 V518 T639	M51-C53 VanDerWaalsContact C-N 3.25Å; M51-C53 PolarHBondContact O-N 3.11Å; M51-C53 VanDerWaalsContact O-N 3.16Å; M51-C53 PolarHBondContact O-SG 3.13Å; M51-C53 VanDerWaalsContact O-SG 3.4Å; M51-V518 WeakPolarHBondContact CG-O 3.44Å; M51-T639 VanDerWaalsContact CE-O 3.31Å; M51-T639 WeakPolarHBondContact CE-O 3.41Å
52	G	50.1	Low	78	Confident	49 Å²	49	55 Å²	55	51%	0.505	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	6.6	173.5	0	0	0	0	0	116.5	Y49	Y49-G52 PolarHBondContact OH-O 2.87Å
53	C	56.6	Low	78.1	Confident	51 Å²	51	56 Å²	56	35%	0.345	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.5	-177.8	55.7	0	0	0	0	113.1	W50 M51 R55	W50-C53 PolarHBondContact N-O 2.91Å; W50-C53 PolarHBondContact O-N 2.84Å; W50-C53 PolarHBondContact O-SG 3.04Å; W50-C53 VanDerWaalsContact O-SG 3.34Å; M51-C53 VanDerWaalsContact C-N 3.25Å; M51-C53 PolarHBondContact O-N 3.11Å; M51-C53 VanDerWaalsContact O-N 3.16Å; M51-C53 PolarHBondContact O-SG 3.13Å; M51-C53 VanDerWaalsContact O-SG 3.4Å; C53-R55 PolarHBondContact SG-NE 3.32Å; C53-R55 PolarHBondContact SG-NH2 2.9Å; C53-R55 VanDerWaalsContact SG-NH2 3.43Å
54	W	74.2	Confident	77.7	Confident	142 Å²	142	53.8 Å²	53.8	54%	0.538	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.2	171.9	-72.8	104.3	0	0	0	110.7	H20 K47 Y49	H20-W54 AromaticContact CE1-CH2 3.6Å; H20-W54 AromaticContact CE1-CZ3 3.64Å; H20-W54 AromaticContact ND1-CZ3 3.78Å; K47-W54 HydrophobicContact CD-CE3 4.28Å; K47-W54 HydrophobicContact CG-CE3 3.8Å; K47-W54 HydrophobicContact CG-CZ3 4.3Å; Y49-W54 AromaticContact CD2-CD1 3.96Å; Y49-W54 AromaticContact CD2-CD2 3.78Å; Y49-W54 HydrophobicContact CD2-CD2 3.78Å; Y49-W54 AromaticContact CD2-CE2 3.74Å; Y49-W54 HydrophobicContact CD2-CE3 4.31Å; Y49-W54 AromaticContact CD2-CG 3.93Å; Y49-W54 HydrophobicContact CD2-CG 3.93Å; Y49-W54 HydrophobicContact CD2-CZ2 4.25Å; Y49-W54 AromaticContact CD2-NE1 3.84Å; Y49-W54 HydrophobicContact CG-CD2 4.49Å
55	R	72.4	Confident	77.2	Confident	61 Å²	61	58.6 Å²	58.6	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	-179	-57.2	-166	-177.3	-129.8	-6.6	111.3	L48 W50 C53 I57 W522	L48-R55 PolarHBondContact N-O 3.41Å; L48-R55 PolarHBondContact O-N 2.92Å; W50-R55 HydrophobicContact CB-CG 4.47Å; W50-R55 PolarHBondContact O-NE 3.33Å; C53-R55 PolarHBondContact SG-NE 3.32Å; C53-R55 PolarHBondContact SG-NH2 2.9Å; C53-R55 VanDerWaalsContact SG-NH2 3.43Å; R55-I57 HydrophobicContact CB-CD1 4.25Å; R55-W522 VanDerWaalsContact NH1-NE1 3.13Å
56	K	85.8	Confident	76.5	Confident	143 Å²	143	59.6 Å²	59.6	62%	0.622	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	106.5	175.9	-178.2	-170.2	177.1	177.9	0	109.1	I45	I45-K56 VanDerWaalsContact CD1-CE 3.46Å; I45-K56 HydrophobicContact CG2-CD 4.44Å; I45-K56 HydrophobicContact CG2-CG 3.67Å
57	I	85.5	Confident	75.9	Confident	24 Å²	24	68.6 Å²	68.6	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.2	177.5	-50.9	-53.2	0	0	0	109.2	I45 V46 L48 R55 I59 A90 K93 I94	I45-I57 CarbonylContact C-O 3.59Å; I45-I57 VanDerWaalsContact CA-O 3.31Å; I45-I57 WeakPolarHBondContact CA-O 3.48Å; V46-I57 PolarHBondContact N-O 3.43Å; V46-I57 PolarHBondContact O-N 2.81Å; L48-I57 HydrophobicContact CD1-CG1 4.2Å; R55-I57 HydrophobicContact CB-CD1 4.25Å; I57-I59 HydrophobicContact CG2-CG2 4.21Å; I57-A90 HydrophobicContact CB-CB 4.44Å; I57-A90 HydrophobicContact CG2-CB 4.18Å; I57-K93 HydrophobicContact CG2-CB 4.25Å; I57-K93 HydrophobicContact CG2-CD 4.29Å; I57-K93 HydrophobicContact CG2-CG 4.36Å; I57-I94 HydrophobicContact CD1-CD1 3.84Å; I57-I94 HydrophobicContact CD1-CG1 3.48Å; I57-I94 VanDerWaalsContact CD1-CG1 3.48Å; I57-I94 HydrophobicContact CG1-CD1 3.82Å; I57-I94 HydrophobicContact CG1-CG1 3.74Å
58	I	87.6	Confident	75.5	Confident	77 Å²	77	70.2 Å²	70.2	40%	0.395	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.5	173.3	-56	177.1	0	0	0	108.5	M24 Y44 I45 K93	M24-I58 HydrophobicContact CE-CG2 4.46Å; Y44-I58 WeakPolarHBondContact O-CA 3.27Å; I45-I58 HydrophobicContact CG1-CG1 4.24Å; I58-K93 WeakPolarHBondContact O-CD 3.28Å; I58-K93 WeakPolarHBondContact O-CE 3.48Å; I58-K93 PolarHBondContact O-NZ 3.28Å
59	I	86.7	Confident	75.3	Confident	2 Å²	2	76 Å²	76	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.3	175.9	50.9	166.2	0	0	0	111	K43 Y44 V46 I57 L86 K89 A90 K93	K43-I59 CarbonylContact C-O 3.56Å; K43-I59 WeakPolarHBondContact CA-O 3.3Å; Y44-I59 PolarHBondContact N-O 2.89Å; Y44-I59 PolarHBondContact O-N 3.37Å; V46-I59 HydrophobicContact CG2-CD1 3.78Å; V46-I59 HydrophobicContact CG2-CG1 4.08Å; I57-I59 HydrophobicContact CG2-CG2 4.21Å; I59-L86 HydrophobicContact CD1-CB 3.89Å; I59-L86 HydrophobicContact CD1-CD2 3.76Å; I59-L86 HydrophobicContact CD1-CG 4.44Å; I59-L86 WeakPolarHBondContact CD1-O 3.41Å; I59-K89 HydrophobicContact CG2-CG 4.26Å; I59-A90 HydrophobicContact CD1-CB 4.12Å; I59-A90 HydrophobicContact CG2-CB 4.16Å; I59-K93 HydrophobicContact CG2-CB 4.24Å; I59-K93 HydrophobicContact CG2-CD 3.71Å
60	D	88.1	Confident	75.2	Confident	54 Å²	54	73.7 Å²	73.7	29%	0.289	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	164.1	163.7	61.4	-60.8	0	0	0	110.4	G42 S62 K89	G42-D60 CarbonylContact O-C 3.56Å; G42-D60 WeakPolarHBondContact O-CA 3.4Å; D60-S62 VanDerWaalsContact OD2-CB 3.23Å; D60-S62 WeakPolarHBondContact OD2-CB 3.38Å; D60-S62 PolarHBondContact OD2-N 3.14Å; D60-S62 PolarHBondContact OD2-OG 3.28Å; D60-K89 WeakPolarHBondContact O-CD 3.23Å; D60-K89 WeakPolarHBondContact O-CE 3.28Å; D60-K89 PolarHBondContact O-NZ 2.83Å; D60-K89 WeakPolarHBondContact OD1-CE 3.4Å; D60-K89 IonicContact OD1-NZ 2.64Å; D60-K89 PolarHBondContact OD1-NZ 3.32Å; D60-K89 IonicContact OD2-NZ 3.54Å; D60-K89 PolarHBondContact OD2-NZ 3.38Å
61	D	86	Confident	75.4	Confident	34 Å²	34	73.5 Å²	73.5	18%	0.182	38%	0.381	C	S	.	.			trans	-88.7	1.8	179	45.2	8.1	0	0	0	115.7	Y38 G42 Y44 I63 L86	Y38-D61 VanDerWaalsContact CE2-OD2 3.31Å; Y38-D61 WeakPolarHBondContact CE2-OD2 3.38Å; G42-D61 VanDerWaalsContact CA-CG 3.49Å; G42-D61 WeakPolarHBondContact CA-OD1 3.41Å; G42-D61 WeakPolarHBondContact CA-OD2 3.41Å; G42-D61 PolarHBondContact O-N 3.38Å; Y44-D61 HydrophobicContact CE2-CB 3.73Å; Y44-D61 PolarHBondContact OH-OD2 2.84Å; D61-I63 VanDerWaalsContact O-CD1 3.31Å; D61-I63 WeakPolarHBondContact O-CD1 3.22Å; D61-I63 WeakPolarHBondContact O-CG1 3.29Å; D61-I63 PolarHBondContact O-N 2.96Å; D61-I63 VanDerWaalsContact O-N 3.07Å; D61-L86 HydrophobicContact CB-CD2 4.06Å
62	S	85.5	Confident	76	Confident	80 Å²	80	77.8 Å²	77.8	56%	0.559	40%	0.403	S	S	*	.			trans	-62	110.6	175.8	-24	0	0	0	0	111.5	D60 K89	D60-S62 VanDerWaalsContact OD2-CB 3.23Å; D60-S62 WeakPolarHBondContact OD2-CB 3.38Å; D60-S62 PolarHBondContact OD2-N 3.14Å; D60-S62 PolarHBondContact OD2-OG 3.28Å; S62-K89 PolarHBondContact O-NZ 3.33Å
63	I	82.4	Confident	77	Confident	27 Å²	27	76.3 Å²	76.3	14%	0.138	38%	0.384	C	S	.	.			trans	-94.9	140.2	-178.3	-52.8	-52	0	0	0	110.1	D61 F65 P71 L73 M85	D61-I63 VanDerWaalsContact O-CD1 3.31Å; D61-I63 WeakPolarHBondContact O-CD1 3.22Å; D61-I63 WeakPolarHBondContact O-CG1 3.29Å; D61-I63 PolarHBondContact O-N 2.96Å; D61-I63 VanDerWaalsContact O-N 3.07Å; I63-F65 HydrophobicContact CB-CE2 4.04Å; I63-F65 HydrophobicContact CG2-CE2 4.46Å; I63-F65 WeakPolarHBondContact O-CD2 3.29Å; I63-F65 WeakPolarHBondContact O-CE2 3.35Å; I63-P71 HydrophobicContact CG2-CB 4.06Å; I63-L73 HydrophobicContact CD1-CD1 4.31Å; I63-L73 HydrophobicContact CG2-CB 4.42Å; I63-L73 HydrophobicContact CG2-CD1 4.27Å; I63-L73 HydrophobicContact CG2-CG 4.22Å; I63-M85 HydrophobicContact CB-CE 4.28Å; I63-M85 HydrophobicContact CD1-CB 4.06Å; I63-M85 HydrophobicContact CD1-CE 4.48Å; I63-M85 HydrophobicContact CG1-CE 3.9Å; I63-M85 HydrophobicContact CG2-CE 3.58Å
64	P	77.1	Confident	77.6	Confident	65 Å²	65	77 Å²	77	42%	0.422	39%	0.388	S	S	.	.			trans	-74.2	138.9	168.8	31.2	-34.9	0	0	0	111.9	L72 L73	P64-L72 HydrophobicContact CB-CD1 4.33Å; P64-L72 HydrophobicContact CG-CB 4.4Å; P64-L72 PolarHBondContact O-N 2.77Å; P64-L73 HydrophobicContact CG-CD2 4.33Å; P64-L73 HydrophobicContact CG-CG 4.14Å
65	F	77.4	Confident	77.3	Confident	106 Å²	106	74.1 Å²	74.1	47%	0.465	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-119.9	161.1	178.5	-70.1	-99.7	0	0	0	110.8	I63 N69 K70 P71 L72	I63-F65 HydrophobicContact CB-CE2 4.04Å; I63-F65 HydrophobicContact CG2-CE2 4.46Å; I63-F65 WeakPolarHBondContact O-CD2 3.29Å; I63-F65 WeakPolarHBondContact O-CE2 3.35Å; F65-N69 VanDerWaalsContact CD1-O 3.31Å; F65-N69 WeakPolarHBondContact CD1-O 3.07Å; F65-K70 CarbonylContact C-O 3.51Å; F65-K70 WeakPolarHBondContact CA-O 3.26Å; F65-P71 HydrophobicContact CD1-CB 3.89Å; F65-P71 HydrophobicContact CD1-CG 4.48Å; F65-P71 HydrophobicContact CE1-CB 3.7Å; F65-P71 HydrophobicContact CE1-CG 4.13Å; F65-P71 HydrophobicContact CZ-CB 4.22Å; F65-L72 WeakPolarHBondContact O-CD1 3.39Å
66	D	70.2	Confident	77.1	Confident	51 Å²	51	73 Å²	73	27%	0.273	38%	0.382	S	S	.	.			trans	-84.8	178.4	169.4	82.8	-15.1	0	0	0	112.3	N68 N69 K70 L72	D66-N68 PolarHBondContact O-N 3.15Å; D66-N68 VanDerWaalsContact O-N 3.09Å; D66-N68 WeakPolarHBondContact OD1-CA 3.32Å; D66-N68 WeakPolarHBondContact OD1-CB 3.31Å; D66-N68 PolarHBondContact OD1-N 3.04Å; D66-N68 PolarHBondContact OD2-ND2 3.29Å; D66-N69 PolarHBondContact O-N 2.74Å; D66-N69 PolarHBondContact OD1-N 3.03Å; D66-K70 PolarHBondContact N-O 3.34Å; D66-K70 WeakPolarHBondContact OD1-CA 3.44Å; D66-K70 WeakPolarHBondContact OD1-CB 3.2Å; D66-K70 PolarHBondContact OD1-N 3.43Å; D66-L72 HydrophobicContact CB-CD2 3.99Å; D66-L72 HydrophobicContact CB-CG 4.36Å
67	E	75.7	Confident	75.9	Confident	189 Å²	189	72.2 Å²	72.2	88%	0.883	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.6	177.1	-66.4	162.2	-145.9	0	0	113.7
68	N	73.7	Confident	75.1	Confident	121 Å²	121	75.8 Å²	75.8	65%	0.647	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	7.1	-179.5	-51.3	-75.1	0	0	0	112.9	D66 K70	D66-N68 PolarHBondContact O-N 3.15Å; D66-N68 VanDerWaalsContact O-N 3.09Å; D66-N68 WeakPolarHBondContact OD1-CA 3.32Å; D66-N68 WeakPolarHBondContact OD1-CB 3.31Å; D66-N68 PolarHBondContact OD1-N 3.04Å; D66-N68 PolarHBondContact OD2-ND2 3.29Å; N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 2.98Å
69	N	73.2	Confident	74.1	Confident	136 Å²	136	76.9 Å²	76.9	73%	0.727	41%	0.406	S	S	*	.	S	Bend	trans	59.2	29.1	-169.2	-58.4	-77	0	0	0	114.2	F65 D66	F65-N69 VanDerWaalsContact CD1-O 3.31Å; F65-N69 WeakPolarHBondContact CD1-O 3.07Å; D66-N69 PolarHBondContact O-N 2.74Å; D66-N69 PolarHBondContact OD1-N 3.03Å
70	K	67.7	Low	73.3	Confident	86 Å²	86	83.5 Å²	83.5	37%	0.374	44%	0.437	S	S	.	.			trans	-89.7	129.2	167.3	-168.9	173.9	179.8	175.3	0	109.6	F65 D66 N68 D251 Y253	F65-K70 CarbonylContact C-O 3.51Å; F65-K70 WeakPolarHBondContact CA-O 3.26Å; D66-K70 PolarHBondContact N-O 3.34Å; D66-K70 WeakPolarHBondContact OD1-CA 3.44Å; D66-K70 WeakPolarHBondContact OD1-CB 3.2Å; D66-K70 PolarHBondContact OD1-N 3.43Å; N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 2.98Å; K70-D251 IonicContact NZ-OD1 2.96Å; K70-D251 PolarHBondContact NZ-OD1 3.12Å; K70-Y253 WeakPolarHBondContact CE-OH 3.26Å
71	P	71.2	Confident	72.7	Confident	24 Å²	24	83.4 Å²	83.4	16%	0.156	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-69.4	137.5	-177.5	25.9	-32.8	0	0	0	111.7	I63 F65 Q75 M85	I63-P71 HydrophobicContact CG2-CB 4.06Å; F65-P71 HydrophobicContact CD1-CB 3.89Å; F65-P71 HydrophobicContact CD1-CG 4.48Å; F65-P71 HydrophobicContact CE1-CB 3.7Å; F65-P71 HydrophobicContact CE1-CG 4.13Å; F65-P71 HydrophobicContact CZ-CB 4.22Å; P71-Q75 HydrophobicContact CG-CG 4.12Å; P71-M85 HydrophobicContact CB-CE 3.73Å; P71-M85 HydrophobicContact CG-CE 4.19Å
72	L	68.7	Low	72.4	Confident	111 Å²	111	84.8 Å²	84.8	58%	0.581	44%	0.442	S	S	*	.	S	Bend	trans	-85	-6.5	-174.3	-70.8	169.8	0	0	0	114.3	P64 F65 D66	P64-L72 HydrophobicContact CB-CD1 4.33Å; P64-L72 HydrophobicContact CG-CB 4.4Å; P64-L72 PolarHBondContact O-N 2.77Å; F65-L72 WeakPolarHBondContact O-CD1 3.39Å; D66-L72 HydrophobicContact CB-CD2 3.99Å; D66-L72 HydrophobicContact CB-CG 4.36Å
73	L	72.4	Confident	72.1	Confident	19 Å²	19	83.3 Å²	83.3	10%	0.099	42%	0.424	C	S	.	.	S	Bend	trans	-98.5	151.4	178.4	-60.9	-171.2	0	0	0	111.8	I63 P64 Q75 M85 K89 L92	I63-L73 HydrophobicContact CD1-CD1 4.31Å; I63-L73 HydrophobicContact CG2-CB 4.42Å; I63-L73 HydrophobicContact CG2-CD1 4.27Å; I63-L73 HydrophobicContact CG2-CG 4.22Å; P64-L73 HydrophobicContact CG-CD2 4.33Å; P64-L73 HydrophobicContact CG-CG 4.14Å; L73-Q75 PolarHBondContact O-N 2.75Å; L73-M85 HydrophobicContact CB-CB 4.46Å; L73-K89 HydrophobicContact CD1-CB 3.96Å; L73-L92 HydrophobicContact CD2-CD1 3.5Å; L73-L92 VanDerWaalsContact CD2-CD1 3.5Å
74	P	68.9	Low	71.8	Confident	66 Å²	66	82.7 Å²	82.7	43%	0.429	42%	0.422	S	S	.	.			trans	-54.1	128	177	-24.7	34.5	0	0	0	112.2	M85 T88	P74-M85 VanDerWaalsContact O-CG 3.27Å; P74-M85 WeakPolarHBondContact O-CG 3.39Å; P74-T88 HydrophobicContact CG-CG2 4.18Å
75	Q	67.4	Low	72.1	Confident	80 Å²	80	80.1 Å²	80.1	37%	0.374	40%	0.404	S	S	.	.			trans	-108.9	163	175.7	-57.8	-158.4	-78.1	0	0	111.1	P71 L73 M85	P71-Q75 HydrophobicContact CG-CG 4.12Å; L73-Q75 PolarHBondContact O-N 2.75Å; Q75-M85 HydrophobicContact CG-CE 3.94Å; Q75-M85 HydrophobicContact CG-CG 4.21Å; Q75-M85 HydrophobicContact CG-SD 3.89Å; Q75-M85 PolarHBondContact NE2-SD 2.9Å; Q75-M85 VanDerWaalsContact NE2-SD 3.39Å
76	S	68.1	Low	72.5	Confident	38 Å²	38	75.2 Å²	75.2	27%	0.266	38%	0.383	S	S	.	.			trans	-74.5	168.4	163	-179.6	0	0	0	0	110.8	Q78 E81	S76-Q78 PolarHBondContact O-N 3.48Å; S76-Q78 PolarHBondContact OG-N 2.99Å; S76-E81 WeakPolarHBondContact CB-OE2 3.42Å; S76-E81 PolarHBondContact OG-OE2 3.15Å
77	K	61.4	Low	73.1	Confident	126 Å²	126	72.9 Å²	72.9	55%	0.548	37%	0.371	S	S	.	.	S	Bend	trans	-59.2	-20.9	161.5	-71.9	-169.6	176	-178.2	0	111.7	P314 E317	K77-P314 WeakPolarHBondContact CE-O 3.41Å; K77-E317 IonicContact NZ-OE1 2.73Å; K77-E317 PolarHBondContact NZ-OE1 3.36Å; K77-E317 IonicContact NZ-OE2 3.83Å; K77-E317 PolarHBondContact NZ-OE2 2.94Å
78	Q	68.1	Low	73.2	Confident	100 Å²	100	64.3 Å²	64.3	47%	0.467	33%	0.331	S	S	.	.	S	Bend	trans	-97	109.2	172	-71.2	-176.8	-11.7	0	0	110.7	S76 H80 E81	S76-Q78 PolarHBondContact O-N 3.48Å; S76-Q78 PolarHBondContact OG-N 2.99Å; Q78-H80 PolarHBondContact O-N 3.46Å; Q78-H80 VanDerWaalsContact O-N 3.08Å; Q78-E81 HydrophobicContact CB-CG 3.94Å; Q78-E81 PolarHBondContact O-N 3.22Å
79	P	65.4	Low	73.7	Confident	99 Å²	99	60 Å²	60	64%	0.643	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.4	-172.3	27.7	-36	0	0	0	114.4
80	H	70.7	Confident	74.2	Confident	142 Å²	142	53.5 Å²	53.5	66%	0.657	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.7	174.6	54.1	-98.5	0	0	0	113.6	Q78 L82	Q78-H80 PolarHBondContact O-N 3.46Å; Q78-H80 VanDerWaalsContact O-N 3.08Å; H80-L82 PolarHBondContact O-N 2.73Å; H80-L82 VanDerWaalsContact O-N 3.15Å
81	E	76.1	Confident	74.7	Confident	52 Å²	52	49.7 Å²	49.7	24%	0.243	26%	0.255	C	S	.	.			trans	-79	96.1	174.4	-69.4	-164.2	105.7	0	0	111	S76 Q78 W83 P84	S76-E81 WeakPolarHBondContact CB-OE2 3.42Å; S76-E81 PolarHBondContact OG-OE2 3.15Å; Q78-E81 HydrophobicContact CB-CG 3.94Å; Q78-E81 PolarHBondContact O-N 3.22Å; E81-W83 VanDerWaalsContact C-N 3.26Å; E81-W83 VanDerWaalsContact CD-NE1 3.32Å; E81-W83 PolarHBondContact O-N 3.21Å; E81-W83 PolarHBondContact OE1-NE1 3Å; E81-P84 WeakPolarHBondContact O-CD 3.3Å
82	L	78.6	Confident	74.9	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.325	27%	0.266	S	S	.	.			trans	-67.2	-21.1	173.7	-93.2	151	0	0	0	113.8	Y38 H80 P84 M85 L86	Y38-L82 HydrophobicContact CD2-CD1 4.3Å; H80-L82 PolarHBondContact O-N 2.73Å; H80-L82 VanDerWaalsContact O-N 3.15Å; L82-P84 VanDerWaalsContact C-CD 3.49Å; L82-M85 PolarHBondContact O-N 2.99Å; L82-L86 HydrophobicContact CB-CD1 4.09Å; L82-L86 HydrophobicContact CB-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.27Å
83	W	79	Confident	75.5	Confident	49 Å²	49	50.9 Å²	50.9	19%	0.186	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-38.1	-169.6	74.8	-101.4	0	0	0	115.4	P17 W18 I21 P36 E81 M85 L87	P17-W83 HydrophobicContact CB-CE3 4.07Å; P17-W83 HydrophobicContact CB-CH2 4.28Å; P17-W83 HydrophobicContact CB-CZ3 3.57Å; P17-W83 HydrophobicContact CG-CH2 4.15Å; P17-W83 HydrophobicContact CG-CZ3 3.93Å; W18-W83 HydrophobicContact CB-CB 4.45Å; W18-W83 HydrophobicContact CB-CG 4.39Å; W18-W83 HydrophobicContact CE3-CD2 4.33Å; W18-W83 HydrophobicContact CE3-CZ2 4.13Å; W18-W83 HydrophobicContact CZ3-CZ2 4.27Å; I21-W83 HydrophobicContact CD1-CB 3.86Å; I21-W83 WeakPolarHBondContact CD1-O 3.42Å; P36-W83 HydrophobicContact CB-CB 4.18Å; P36-W83 HydrophobicContact CG-CB 3.97Å; P36-W83 HydrophobicContact CG-CG 4.44Å; E81-W83 VanDerWaalsContact C-N 3.26Å; E81-W83 VanDerWaalsContact CD-NE1 3.32Å; E81-W83 PolarHBondContact O-N 3.21Å; E81-W83 PolarHBondContact OE1-NE1 3Å; W83-M85 VanDerWaalsContact C-N 3.31Å; W83-M85 PolarHBondContact O-N 3.2Å; W83-L87 HydrophobicContact CE3-CD2 4.39Å; W83-L87 HydrophobicContact CZ3-CD2 4.32Å; W83-L87 WeakPolarHBondContact O-CB 3.43Å; W83-L87 PolarHBondContact O-N 2.78Å
84	P	78	Confident	75.4	Confident	15 Å²	15	50.1 Å²	50.1	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-35	177.9	-14.2	29.8	0	0	0	111.4	E81 L82 T88	E81-P84 WeakPolarHBondContact O-CD 3.3Å; L82-P84 VanDerWaalsContact C-CD 3.49Å; P84-T88 VanDerWaalsContact O-CB 3.29Å; P84-T88 WeakPolarHBondContact O-CB 3.3Å; P84-T88 PolarHBondContact O-N 3.41Å; P84-T88 PolarHBondContact O-OG1 3.06Å
85	M	81.8	Confident	75.3	Confident	10 Å²	10	47.4 Å²	47.4	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-71.8	-45	-179.3	-52.5	170.6	80.5	0	0	110.2	I63 P71 L73 P74 Q75 L82 W83 K89	I63-M85 HydrophobicContact CB-CE 4.28Å; I63-M85 HydrophobicContact CD1-CB 4.06Å; I63-M85 HydrophobicContact CD1-CE 4.48Å; I63-M85 HydrophobicContact CG1-CE 3.9Å; I63-M85 HydrophobicContact CG2-CE 3.58Å; P71-M85 HydrophobicContact CB-CE 3.73Å; P71-M85 HydrophobicContact CG-CE 4.19Å; L73-M85 HydrophobicContact CB-CB 4.46Å; P74-M85 VanDerWaalsContact O-CG 3.27Å; P74-M85 WeakPolarHBondContact O-CG 3.39Å; Q75-M85 HydrophobicContact CG-CE 3.94Å; Q75-M85 HydrophobicContact CG-CG 4.21Å; Q75-M85 HydrophobicContact CG-SD 3.89Å; Q75-M85 PolarHBondContact NE2-SD 2.9Å; Q75-M85 VanDerWaalsContact NE2-SD 3.39Å; L82-M85 PolarHBondContact O-N 2.99Å; W83-M85 VanDerWaalsContact C-N 3.31Å; W83-M85 PolarHBondContact O-N 3.2Å; M85-K89 VanDerWaalsContact O-CB 3.22Å; M85-K89 WeakPolarHBondContact O-CB 3.33Å; M85-K89 PolarHBondContact O-N 3.03Å
86	L	85.9	Confident	75.3	Confident	4 Å²	4	46 Å²	46	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-47.5	172.4	-71	173.2	0	0	0	111.7	I21 Y44 I59 D61 L82 T88 K89 A90	I21-L86 HydrophobicContact CD1-CB 4.34Å; I21-L86 HydrophobicContact CG2-CD1 4.49Å; Y44-L86 HydrophobicContact CD1-CD1 3.92Å; Y44-L86 HydrophobicContact CD2-CD1 4.19Å; Y44-L86 HydrophobicContact CD2-CD2 3.8Å; Y44-L86 HydrophobicContact CE1-CD1 3.89Å; Y44-L86 HydrophobicContact CE2-CD1 4.21Å; Y44-L86 HydrophobicContact CE2-CD2 4.05Å; Y44-L86 HydrophobicContact CG-CD1 4.08Å; Y44-L86 HydrophobicContact CG-CD2 4.29Å; I59-L86 HydrophobicContact CD1-CB 3.89Å; I59-L86 HydrophobicContact CD1-CD2 3.76Å; I59-L86 HydrophobicContact CD1-CG 4.44Å; I59-L86 WeakPolarHBondContact CD1-O 3.41Å; D61-L86 HydrophobicContact CB-CD2 4.06Å; L82-L86 HydrophobicContact CB-CD1 4.09Å; L82-L86 HydrophobicContact CB-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.27Å; L86-T88 PolarHBondContact O-N 2.85Å; L86-K89 PolarHBondContact O-N 3.35Å; L86-A90 PolarHBondContact O-N 2.9Å
87	L	82.4	Confident	74.8	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-42.8	179.9	-167.6	65.2	0	0	0	111.6	P17 I21 V46 L48 W83 A90 L91 L120	P17-L87 HydrophobicContact CB-CD2 3.63Å; I21-L87 HydrophobicContact CD1-CB 4.11Å; I21-L87 HydrophobicContact CD1-CD1 4.41Å; I21-L87 HydrophobicContact CG1-CD1 4.27Å; V46-L87 HydrophobicContact CG1-CD1 3.79Å; L48-L87 HydrophobicContact CD2-CD1 4.02Å; W83-L87 HydrophobicContact CE3-CD2 4.39Å; W83-L87 HydrophobicContact CZ3-CD2 4.32Å; W83-L87 WeakPolarHBondContact O-CB 3.43Å; W83-L87 PolarHBondContact O-N 2.78Å; L87-A90 PolarHBondContact O-N 3.38Å; L87-L91 PolarHBondContact O-N 2.71Å; L87-L91 VanDerWaalsContact O-N 3.12Å; L87-L120 HydrophobicContact CD1-CD2 4.49Å; L87-L120 HydrophobicContact CD2-CD1 4.21Å; L87-L120 HydrophobicContact CD2-CD2 3.51Å; L87-L120 HydrophobicContact CG-CD2 3.86Å
88	T	77.9	Confident	74.1	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-41.4	173.8	-53.6	0	0	0	0	111.4	P74 P84 L86 A90 L91 L92 T116	P74-T88 HydrophobicContact CG-CG2 4.18Å; P84-T88 VanDerWaalsContact O-CB 3.29Å; P84-T88 WeakPolarHBondContact O-CB 3.3Å; P84-T88 PolarHBondContact O-N 3.41Å; P84-T88 PolarHBondContact O-OG1 3.06Å; L86-T88 PolarHBondContact O-N 2.85Å; T88-A90 VanDerWaalsContact C-N 3.31Å; T88-A90 PolarHBondContact O-N 2.95Å; T88-L91 PolarHBondContact O-N 2.85Å; T88-L92 HydrophobicContact CG2-CD1 4Å; T88-L92 HydrophobicContact CG2-CG 4.22Å; T88-L92 WeakPolarHBondContact O-CB 3.34Å; T88-L92 WeakPolarHBondContact O-CG 3.32Å; T88-L92 PolarHBondContact O-N 2.8Å; T88-T116 HydrophobicContact CG2-CG2 4.13Å
89	K	84.6	Confident	72.9	Confident	30 Å²	30	40.3 Å²	40.3	13%	0.13	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-34.8	176.2	-173.4	174.7	174.8	-176	0	112.3	I59 D60 S62 L73 M85 L86 K93	I59-K89 HydrophobicContact CG2-CG 4.26Å; D60-K89 WeakPolarHBondContact O-CD 3.23Å; D60-K89 WeakPolarHBondContact O-CE 3.28Å; D60-K89 PolarHBondContact O-NZ 2.83Å; D60-K89 WeakPolarHBondContact OD1-CE 3.4Å; D60-K89 IonicContact OD1-NZ 2.64Å; D60-K89 PolarHBondContact OD1-NZ 3.32Å; D60-K89 IonicContact OD2-NZ 3.54Å; D60-K89 PolarHBondContact OD2-NZ 3.38Å; S62-K89 PolarHBondContact O-NZ 3.33Å; L73-K89 HydrophobicContact CD1-CB 3.96Å; M85-K89 VanDerWaalsContact O-CB 3.22Å; M85-K89 WeakPolarHBondContact O-CB 3.33Å; M85-K89 PolarHBondContact O-N 3.03Å; L86-K89 PolarHBondContact O-N 3.35Å; K89-K93 WeakPolarHBondContact O-CB 3.48Å; K89-K93 PolarHBondContact O-N 3.34Å
90	A	83.7	Confident	71.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-41	173.8	0	0	0	0	0	112.5	V46 L48 I57 I59 L86 L87 T88 K93 I94	V46-A90 HydrophobicContact CB-CB 3.61Å; V46-A90 HydrophobicContact CG1-CB 3.88Å; V46-A90 HydrophobicContact CG2-CB 3.64Å; L48-A90 HydrophobicContact CD1-CB 3.84Å; I57-A90 HydrophobicContact CB-CB 4.44Å; I57-A90 HydrophobicContact CG2-CB 4.18Å; I59-A90 HydrophobicContact CD1-CB 4.12Å; I59-A90 HydrophobicContact CG2-CB 4.16Å; L86-A90 PolarHBondContact O-N 2.9Å; L87-A90 PolarHBondContact O-N 3.38Å; T88-A90 VanDerWaalsContact C-N 3.31Å; T88-A90 PolarHBondContact O-N 2.95Å; A90-K93 PolarHBondContact O-N 2.76Å; A90-I94 PolarHBondContact O-N 3.44Å; A90-I94 VanDerWaalsContact O-N 3.16Å
91	L	77.6	Confident	70.3	Confident	6 Å²	6	42 Å²	42	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-49.9	173.1	-75.2	163.9	0	0	0	111.4	L48 L87 T88 K93 I94 V95 F114 T116 C119 L120	L48-L91 HydrophobicContact CD1-CD2 3.83Å; L48-L91 HydrophobicContact CD1-CG 3.88Å; L48-L91 HydrophobicContact CD2-CD2 4.39Å; L48-L91 HydrophobicContact CD2-CG 4.46Å; L87-L91 PolarHBondContact O-N 2.71Å; L87-L91 VanDerWaalsContact O-N 3.12Å; T88-L91 PolarHBondContact O-N 2.85Å; L91-K93 PolarHBondContact O-N 3.36Å; L91-I94 WeakPolarHBondContact O-CB 3.43Å; L91-I94 PolarHBondContact O-N 3.14Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.9Å; L91-V95 VanDerWaalsContact O-N 3.08Å; L91-F114 HydrophobicContact CB-CE2 4.26Å; L91-F114 HydrophobicContact CB-CZ 3.78Å; L91-F114 HydrophobicContact CD2-CE2 4.37Å; L91-T116 HydrophobicContact CD1-CG2 3.89Å; L91-C119 HydrophobicContact CD1-CB 4.34Å; L91-C119 HydrophobicContact CD2-CB 3.87Å; L91-L120 HydrophobicContact CD1-CD2 3.85Å; L91-L120 HydrophobicContact CD1-CG 4Å
92	L	75.8	Confident	68.5	Low	71 Å²	71	41.7 Å²	41.7	37%	0.372	22%	0.216	S	C	.	.	H	α-helix	trans	-57.6	-34.4	174	-71.7	172.9	0	0	0	111.9	L73 T88 V95 S96 F114	L73-L92 HydrophobicContact CD2-CD1 3.5Å; L73-L92 VanDerWaalsContact CD2-CD1 3.5Å; T88-L92 HydrophobicContact CG2-CD1 4Å; T88-L92 HydrophobicContact CG2-CG 4.22Å; T88-L92 WeakPolarHBondContact O-CB 3.34Å; T88-L92 WeakPolarHBondContact O-CG 3.32Å; T88-L92 PolarHBondContact O-N 2.8Å; L92-V95 PolarHBondContact O-N 2.7Å; L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.47Å; L92-S96 PolarHBondContact O-OG 3.02Å; L92-F114 HydrophobicContact CD2-CE1 4.26Å
93	K	80.7	Confident	66.6	Low	89 Å²	89	46.9 Å²	46.9	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-30.6	175.9	-169.9	163.6	-172.2	171.5	0	113.2	I57 I58 I59 K89 A90 L91 S96 I97	I57-K93 HydrophobicContact CG2-CB 4.25Å; I57-K93 HydrophobicContact CG2-CD 4.29Å; I57-K93 HydrophobicContact CG2-CG 4.36Å; I58-K93 WeakPolarHBondContact O-CD 3.28Å; I58-K93 WeakPolarHBondContact O-CE 3.48Å; I58-K93 PolarHBondContact O-NZ 3.28Å; I59-K93 HydrophobicContact CG2-CB 4.24Å; I59-K93 HydrophobicContact CG2-CD 3.71Å; K89-K93 WeakPolarHBondContact O-CB 3.48Å; K89-K93 PolarHBondContact O-N 3.34Å; A90-K93 PolarHBondContact O-N 2.76Å; L91-K93 PolarHBondContact O-N 3.36Å; K93-S96 PolarHBondContact O-OG 3.13Å; K93-I97 WeakPolarHBondContact O-CD1 3.42Å
94	I	72.2	Confident	64.4	Low	4 Å²	4	52 Å²	52	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-56.1	168	-66.9	176.6	0	0	0	109.4	L48 W50 I57 A90 L91 S96 I97	L48-I94 HydrophobicContact CB-CD1 4.05Å; L48-I94 HydrophobicContact CD1-CD1 3.64Å; L48-I94 HydrophobicContact CD1-CG1 4.5Å; L48-I94 HydrophobicContact CG-CD1 4.48Å; W50-I94 HydrophobicContact CB-CD1 4.08Å; W50-I94 HydrophobicContact CD2-CD1 4.47Å; W50-I94 HydrophobicContact CD2-CG2 3.71Å; W50-I94 VanDerWaalsContact CE2-CG2 3.45Å; W50-I94 HydrophobicContact CE3-CG2 4.44Å; W50-I94 HydrophobicContact CG-CD1 4.17Å; W50-I94 HydrophobicContact CG-CG2 3.81Å; W50-I94 HydrophobicContact CZ2-CG2 4.01Å; I57-I94 HydrophobicContact CD1-CD1 3.84Å; I57-I94 HydrophobicContact CD1-CG1 3.48Å; I57-I94 VanDerWaalsContact CD1-CG1 3.48Å; I57-I94 HydrophobicContact CG1-CD1 3.82Å; I57-I94 HydrophobicContact CG1-CG1 3.74Å; A90-I94 PolarHBondContact O-N 3.44Å; A90-I94 VanDerWaalsContact O-N 3.16Å; L91-I94 WeakPolarHBondContact O-CB 3.43Å; L91-I94 PolarHBondContact O-N 3.14Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.16Å; I94-I97 PolarHBondContact O-N 3.1Å
95	V	66.6	Low	62.1	Low	8 Å²	8	55.4 Å²	55.4	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-33.1	-173.1	179.9	0	0	0	0	112.7	W50 L91 L92 I97 D98 F114	W50-V95 HydrophobicContact CH2-CG2 4.22Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.9Å; L91-V95 VanDerWaalsContact O-N 3.08Å; L92-V95 PolarHBondContact O-N 2.7Å; V95-I97 PolarHBondContact O-N 2.78Å; V95-D98 PolarHBondContact O-N 3.47Å; V95-D98 VanDerWaalsContact O-N 3.09Å; V95-F114 HydrophobicContact CB-CG 4.42Å; V95-F114 HydrophobicContact CG1-CB 4.07Å; V95-F114 HydrophobicContact CG1-CD1 4.49Å; V95-F114 HydrophobicContact CG1-CG 4.16Å; V95-F114 HydrophobicContact CG2-CB 4.12Å; V95-F114 HydrophobicContact CG2-CD1 4.02Å; V95-F114 HydrophobicContact CG2-CD2 3.33Å; V95-F114 HydrophobicContact CG2-CE1 4.35Å; V95-F114 HydrophobicContact CG2-CE2 3.71Å; V95-F114 HydrophobicContact CG2-CG 3.51Å; V95-F114 HydrophobicContact CG2-CZ 4.23Å
96	S	66.6	Low	59.6	Low	52 Å²	52	58.1 Å²	58.1	36%	0.364	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.2	179.5	69.5	0	0	0	0	114.9	L92 K93 I94	L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.47Å; L92-S96 PolarHBondContact O-OG 3.02Å; K93-S96 PolarHBondContact O-OG 3.13Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.16Å
97	I	57.5	Low	56.9	Low	71 Å²	71	64.3 Å²	64.3	36%	0.364	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-31.2	180	-60.8	163.1	0	0	0	110.4	K93 I94 V95 C99 K100 W522	K93-I97 WeakPolarHBondContact O-CD1 3.42Å; I94-I97 PolarHBondContact O-N 3.1Å; V95-I97 PolarHBondContact O-N 2.78Å; I97-C99 VanDerWaalsContact C-N 3.34Å; I97-K100 PolarHBondContact O-N 3.25Å; I97-W522 HydrophobicContact CB-CH2 3.98Å; I97-W522 HydrophobicContact CB-CZ3 4.27Å; I97-W522 HydrophobicContact CD1-CH2 3.61Å; I97-W522 HydrophobicContact CD1-CZ3 3.82Å; I97-W522 HydrophobicContact CG1-CH2 4.37Å; I97-W522 HydrophobicContact CG2-CH2 3.79Å; I97-W522 HydrophobicContact CG2-CZ3 3.63Å
98	D	47.8	Very low	54.6	Low	35 Å²	35	68.1 Å²	68.1	19%	0.187	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-63.5	-44.1	169.1	-54.2	-32.3	0	0	0	109.5	V95 K100 T101	V95-D98 PolarHBondContact O-N 3.47Å; V95-D98 VanDerWaalsContact O-N 3.09Å; D98-K100 PolarHBondContact O-N 2.95Å; D98-T101 PolarHBondContact O-N 3.27Å
99	C	41.9	Very low	52.8	Low	38 Å²	38	70.6 Å²	70.6	26%	0.257	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-55	-22.8	179.9	-55.4	0	0	0	0	115.3	I97 T101 I102	I97-C99 VanDerWaalsContact C-N 3.34Å; C99-T101 VanDerWaalsContact C-N 3.29Å; C99-T101 PolarHBondContact O-N 3.17Å; C99-I102 PolarHBondContact O-N 2.83Å
100	K	41.3	Very low	50.7	Low	158 Å²	158	72 Å²	72	69%	0.687	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-73.3	-17.2	-173.5	-74.9	-170.9	175.1	-169.1	0	114.3	I97 D98	I97-K100 PolarHBondContact O-N 3.25Å; D98-K100 PolarHBondContact O-N 2.95Å
101	T	39.5	Very low	48.7	Very low	119 Å²	119	74.9 Å²	74.9	73%	0.73	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-83.3	-17.9	179.5	-47.5	0	0	0	0	112.1	D98 C99 H103	D98-T101 PolarHBondContact O-N 3.27Å; C99-T101 VanDerWaalsContact C-N 3.29Å; C99-T101 PolarHBondContact O-N 3.17Å; T101-H103 PolarHBondContact O-N 2.92Å
102	I	39.9	Very low	47.4	Very low	45 Å²	45	75.4 Å²	75.4	23%	0.231	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-80.7	-12.6	-165.5	-52.6	176.8	0	0	0	113.7	C99 N104 T105 E110	C99-I102 PolarHBondContact O-N 2.83Å; I102-N104 PolarHBondContact O-N 3.2Å; I102-T105 PolarHBondContact O-N 2.93Å; I102-E110 HydrophobicContact CD1-CB 4.02Å; I102-E110 HydrophobicContact CD1-CG 4.02Å; I102-E110 WeakPolarHBondContact CD1-OE2 3.35Å
103	H	38.2	Very low	46.4	Very low	170 Å²	170	73.5 Å²	73.5	79%	0.787	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-59.7	-12.8	-172.5	-85.8	-65.6	0	0	0	116.5	T101	T101-H103 PolarHBondContact O-N 2.92Å
104	N	32.7	Very low	45.6	Very low	157 Å²	157	71 Å²	71	84%	0.84	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-117.8	-0.3	-177.1	-81.7	5	0	0	0	116.2	I102	I102-N104 PolarHBondContact O-N 3.2Å
105	T	28.8	Very low	45.5	Very low	86 Å²	86	71.2 Å²	71.2	53%	0.528	39%	0.394	S	S	.	.	S	Bend	trans	-140.7	132.9	178.5	48.2	0	0	0	0	114.6	I102 T107	I102-T105 PolarHBondContact O-N 2.93Å; T105-T107 PolarHBondContact O-N 3.11Å
106	T	28.9	Very low	45.6	Very low	68 Å²	68	72.5 Å²	72.5	42%	0.417	40%	0.402	S	S	.	.			trans	-30.6	117	179.5	52	0	0	0	0	118	T108	T106-T108 PolarHBondContact O-N 2.91Å
107	T	31	Very low	45.9	Very low	133 Å²	133	72.8 Å²	72.8	82%	0.816	40%	0.399	S	S	*	.			trans	54.3	2.9	139.7	56.1	0	0	0	0	120.9	T105 T109	T105-T107 PolarHBondContact O-N 3.11Å; T107-T109 PolarHBondContact O-N 3.4Å
108	T	34.1	Very low	46.7	Very low	83 Å²	83	70.1 Å²	70.1	51%	0.509	39%	0.385	S	S	.	.			trans	-75.3	118.7	169.7	45.2	0	0	0	0	110.7	T106 E110	T106-T108 PolarHBondContact O-N 2.91Å; T108-E110 PolarHBondContact O-N 3.5Å
109	T	38.2	Very low	47.8	Very low	60 Å²	60	71 Å²	71	37%	0.368	39%	0.393	S	S	.	.			trans	-96	68.2	-167.4	37.3	0	0	0	0	111.5	T107 I111 G112 V223	T107-T109 PolarHBondContact O-N 3.4Å; T109-I111 PolarHBondContact O-N 3.04Å; T109-G112 PolarHBondContact O-N 2.84Å; T109-V223 WeakPolarHBondContact CB-O 3.14Å; T109-V223 WeakPolarHBondContact CG2-O 3.4Å; T109-V223 WeakPolarHBondContact OG1-CG1 3.38Å; T109-V223 PolarHBondContact OG1-O 3.06Å
110	E	41	Very low	49	Very low	59 Å²	59	71.2 Å²	71.2	28%	0.276	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-57.8	-16.9	-174.8	-56.8	-173.2	152	0	0	114.4	I102 T108 G112	I102-E110 HydrophobicContact CD1-CB 4.02Å; I102-E110 HydrophobicContact CD1-CG 4.02Å; I102-E110 WeakPolarHBondContact CD1-OE2 3.35Å; T108-E110 PolarHBondContact O-N 3.5Å; E110-G112 PolarHBondContact O-N 2.8Å
111	I	43.1	Very low	50.4	Low	60 Å²	60	64.7 Å²	64.7	31%	0.308	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-70.1	-18.4	176.6	-55.6	171.8	0	0	0	112.3	T109 D113 F114 L226	T109-I111 PolarHBondContact O-N 3.04Å; I111-D113 PolarHBondContact O-N 3.19Å; I111-D113 VanDerWaalsContact O-N 3.07Å; I111-F114 PolarHBondContact O-N 3.45Å; I111-L226 HydrophobicContact CD1-CD1 3.67Å; I111-L226 HydrophobicContact CG2-CD1 4.08Å
112	G	48.8	Very low	52	Low	17 Å²	17	59.6 Å²	59.6	18%	0.175	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.6	-25.4	-169.9	0	0	0	0	0	116.5	T109 E110 K125	T109-G112 PolarHBondContact O-N 2.84Å; E110-G112 PolarHBondContact O-N 2.8Å; G112-K125 PolarHBondContact O-NZ 3.48Å
113	D	55.4	Low	54	Low	32 Å²	32	59.1 Å²	59.1	17%	0.171	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-85.9	-19.6	178.6	-66.2	-42.2	0	0	0	113.9	I111 S115 T638 S642	I111-D113 PolarHBondContact O-N 3.19Å; I111-D113 VanDerWaalsContact O-N 3.07Å; D113-S115 PolarHBondContact O-N 2.88Å; D113-S115 VanDerWaalsContact O-N 3.13Å; D113-T638 WeakPolarHBondContact OD2-CA 3.25Å; D113-T638 WeakPolarHBondContact OD2-CB 3.44Å; D113-T638 PolarHBondContact OD2-OG1 3.09Å; D113-S642 WeakPolarHBondContact OD1-CB 3.2Å; D113-S642 PolarHBondContact OD1-OG 2.94Å
114	F	65	Low	56.2	Low	37 Å²	37	51 Å²	51	16%	0.162	29%	0.294	C	S	.	.			trans	-70.5	116.4	-179.5	174.6	-106.6	0	0	0	110.9	W50 L91 L92 V95 I111 T116 C119	W50-F114 HydrophobicContact CH2-CD2 4.13Å; W50-F114 HydrophobicContact CZ3-CD2 4.32Å; W50-F114 HydrophobicContact CZ3-CE2 4.39Å; L91-F114 HydrophobicContact CB-CE2 4.26Å; L91-F114 HydrophobicContact CB-CZ 3.78Å; L91-F114 HydrophobicContact CD2-CE2 4.37Å; L92-F114 HydrophobicContact CD2-CE1 4.26Å; V95-F114 HydrophobicContact CB-CG 4.42Å; V95-F114 HydrophobicContact CG1-CB 4.07Å; V95-F114 HydrophobicContact CG1-CD1 4.49Å; V95-F114 HydrophobicContact CG1-CG 4.16Å; V95-F114 HydrophobicContact CG2-CB 4.12Å; V95-F114 HydrophobicContact CG2-CD1 4.02Å; V95-F114 HydrophobicContact CG2-CD2 3.33Å; V95-F114 HydrophobicContact CG2-CE1 4.35Å; V95-F114 HydrophobicContact CG2-CE2 3.71Å; V95-F114 HydrophobicContact CG2-CG 3.51Å; V95-F114 HydrophobicContact CG2-CZ 4.23Å; I111-F114 PolarHBondContact O-N 3.45Å; F114-T116 WeakPolarHBondContact CE1-OG1 3.47Å; F114-C119 HydrophobicContact CE2-CB 4.41Å; F114-C119 VanDerWaalsContact CE2-SG 3.58Å
115	S	69.8	Low	58.7	Low	8 Å²	8	44.4 Å²	44.4	6%	0.056	26%	0.258	C	S	.	.			trans	-121.1	113.9	170	175.5	0	0	0	0	111.4	D113 I117 Q118 C119 Y476	D113-S115 PolarHBondContact O-N 2.88Å; D113-S115 VanDerWaalsContact O-N 3.13Å; S115-I117 PolarHBondContact O-N 3.39Å; S115-I117 PolarHBondContact OG-N 3.38Å; S115-Q118 PolarHBondContact O-N 2.93Å; S115-Q118 PolarHBondContact OG-N 3.38Å; S115-C119 PolarHBondContact O-N 2.85Å; S115-C119 PolarHBondContact O-SG 3.47Å; S115-Y476 WeakPolarHBondContact OG-CE1 3.38Å; S115-Y476 PolarHBondContact OG-OH 3.42Å
116	T	68.6	Low	61.4	Low	34 Å²	34	40.9 Å²	40.9	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-52.2	-38.7	168.8	-43.3	0	0	0	0	111.2	T88 L91 F114 C119 L120	T88-T116 HydrophobicContact CG2-CG2 4.13Å; L91-T116 HydrophobicContact CD1-CG2 3.89Å; F114-T116 WeakPolarHBondContact CE1-OG1 3.47Å; T116-C119 PolarHBondContact O-N 3.25Å; T116-L120 HydrophobicContact CG2-CD1 3.9Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 VanDerWaalsContact O-CG 3.23Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 3.42Å
117	I	71.8	Confident	63.9	Low	58 Å²	58	39.6 Å²	39.6	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-48.5	179.5	-61.3	175.3	0	0	0	110.3	S115 C119 L120 T121 F216 Y476	S115-I117 PolarHBondContact O-N 3.39Å; S115-I117 PolarHBondContact OG-N 3.38Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.99Å; I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.44Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.34Å; I117-T121 PolarHBondContact O-OG1 2.9Å; I117-F216 HydrophobicContact CD1-CD2 4.48Å; I117-F216 HydrophobicContact CD1-CE2 4.14Å; I117-Y476 HydrophobicContact CB-CD1 4.19Å; I117-Y476 HydrophobicContact CB-CE1 3.56Å; I117-Y476 HydrophobicContact CD1-CE1 4.48Å; I117-Y476 HydrophobicContact CD1-CE2 4.12Å; I117-Y476 HydrophobicContact CG2-CD1 3.58Å; I117-Y476 HydrophobicContact CG2-CE1 3.51Å; I117-Y476 HydrophobicContact CG2-CG 4.14Å
118	Q	75.7	Confident	66.2	Low	15 Å²	15	33.6 Å²	33.6	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.6	178.3	162.6	-18.2	0	0	111.6	S115 L120 G122 W123 K125	S115-Q118 PolarHBondContact O-N 2.93Å; S115-Q118 PolarHBondContact OG-N 3.38Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.77Å; Q118-G122 WeakPolarHBondContact O-CA 3.38Å; Q118-G122 PolarHBondContact O-N 3.37Å; Q118-W123 WeakPolarHBondContact CA-O 3.39Å; Q118-W123 WeakPolarHBondContact CB-O 3.33Å; Q118-W123 VanDerWaalsContact CG-O 3.28Å; Q118-W123 WeakPolarHBondContact CG-O 3.32Å; Q118-K125 VanDerWaalsContact OE1-CB 3.22Å
119	C	70.5	Confident	68.3	Low	54 Å²	54	32.2 Å²	32.2	37%	0.365	18%	0.182	S	C	.	.	H	α-helix	trans	-67.7	-28.8	-179.6	-61.8	0	0	0	0	113.8	L91 F114 S115 T116 I117	L91-C119 HydrophobicContact CD1-CB 4.34Å; L91-C119 HydrophobicContact CD2-CB 3.87Å; F114-C119 HydrophobicContact CE2-CB 4.41Å; F114-C119 VanDerWaalsContact CE2-SG 3.58Å; S115-C119 PolarHBondContact O-N 2.85Å; S115-C119 PolarHBondContact O-SG 3.47Å; T116-C119 PolarHBondContact O-N 3.25Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 2.96Å
120	L	66.6	Low	70.1	Confident	43 Å²	43	29.5 Å²	29.5	23%	0.225	17%	0.165	C	C	.	.	H	α-helix	trans	-92.8	-27.6	178.6	-67	-179.3	0	0	0	113.8	W15 L87 L91 T116 I117 Q118	W15-L120 HydrophobicContact CH2-CB 4.37Å; W15-L120 HydrophobicContact CH2-CD2 4.28Å; W15-L120 WeakPolarHBondContact CH2-O 3.41Å; W15-L120 WeakPolarHBondContact CZ3-O 3.44Å; L87-L120 HydrophobicContact CD1-CD2 4.49Å; L87-L120 HydrophobicContact CD2-CD1 4.21Å; L87-L120 HydrophobicContact CD2-CD2 3.51Å; L87-L120 HydrophobicContact CG-CD2 3.86Å; L91-L120 HydrophobicContact CD1-CD2 3.85Å; L91-L120 HydrophobicContact CD1-CG 4Å; T116-L120 HydrophobicContact CG2-CD1 3.9Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 VanDerWaalsContact O-CG 3.23Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 3.42Å; I117-L120 PolarHBondContact O-N 2.99Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.77Å
121	T	71.2	Confident	71.5	Confident	20 Å²	20	34.2 Å²	34.2	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-108	-23.8	-172.3	64.7	0	0	0	0	114.3	M1 I117 W123	M1-T121 HydrophobicContact CE-CG2 4.08Å; M1-T121 HydrophobicContact SD-CG2 4.36Å; I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.44Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.34Å; I117-T121 PolarHBondContact O-OG1 2.9Å; T121-W123 PolarHBondContact O-N 3.48Å; T121-W123 WeakPolarHBondContact OG1-CB 3.4Å; T121-W123 PolarHBondContact OG1-N 3.4Å; T121-W123 VanDerWaalsContact OG1-N 3.1Å
122	G	72.4	Confident	72.5	Confident	13 Å²	13	39.9 Å²	39.9	13%	0.134	21%	0.207	C	C	.	.			trans	73.5	7.5	-166.8	0	0	0	0	0	114.9	Q118	Q118-G122 WeakPolarHBondContact O-CA 3.38Å; Q118-G122 PolarHBondContact O-N 3.37Å
123	W	83.1	Confident	73.3	Confident	34 Å²	34	42.3 Å²	42.3	13%	0.129	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-81.7	131.5	176.3	-66.8	39	0	0	0	109.5	Q118 T121 K125 E212 I214 Y476 H477 K478	Q118-W123 WeakPolarHBondContact CA-O 3.39Å; Q118-W123 WeakPolarHBondContact CB-O 3.33Å; Q118-W123 VanDerWaalsContact CG-O 3.28Å; Q118-W123 WeakPolarHBondContact CG-O 3.32Å; T121-W123 PolarHBondContact O-N 3.48Å; T121-W123 WeakPolarHBondContact OG1-CB 3.4Å; T121-W123 PolarHBondContact OG1-N 3.4Å; T121-W123 VanDerWaalsContact OG1-N 3.1Å; W123-K125 PolarHBondContact O-N 2.84Å; W123-E212 HydrophobicContact CH2-CB 4.13Å; W123-I214 HydrophobicContact CE3-CD1 4.33Å; W123-I214 HydrophobicContact CH2-CD1 3.7Å; W123-I214 HydrophobicContact CH2-CG1 4.07Å; W123-I214 HydrophobicContact CZ2-CD1 4.48Å; W123-I214 HydrophobicContact CZ3-CB 4.27Å; W123-I214 HydrophobicContact CZ3-CD1 3.62Å; W123-I214 HydrophobicContact CZ3-CG1 3.68Å; W123-Y476 HydrophobicContact CB-CD1 4.43Å; W123-H477 CarbonylContact C-O 3.54Å; W123-H477 VanDerWaalsContact CA-O 3.31Å; W123-H477 WeakPolarHBondContact CA-O 3.49Å; W123-K478 HydrophobicContact CD2-CB 3.8Å; W123-K478 HydrophobicContact CD2-CG 4.33Å; W123-K478 HydrophobicContact CE3-CB 3.96Å; W123-K478 HydrophobicContact CG-CB 4.4Å; W123-K478 HydrophobicContact CH2-CB 4.05Å; W123-K478 HydrophobicContact CH2-CD 4.17Å; W123-K478 HydrophobicContact CZ2-CB 3.91Å; W123-K478 HydrophobicContact CZ2-CD 3.65Å; W123-K478 HydrophobicContact CZ2-CG 3.97Å; W123-K478 HydrophobicContact CZ3-CB 4.06Å
124	I	84.4	Confident	74.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.5	-176.4	-44.8	-166.6	0	0	0	109.2	Y476 H477 P479 I513 Q515 S643 T668 L670	I124-Y476 CarbonylContact O-C 3.55Å; I124-Y476 WeakPolarHBondContact O-CA 3.32Å; I124-H477 HydrophobicContact CB-CB 4.35Å; I124-H477 PolarHBondContact N-O 3.49Å; I124-H477 PolarHBondContact O-CD2 2.82Å; I124-H477 PolarHBondContact O-N 2.85Å; I124-P479 HydrophobicContact CD1-CG 4.27Å; I124-P479 HydrophobicContact CG1-CG 3.94Å; I124-I513 HydrophobicContact CG2-CG2 4.43Å; I124-Q515 HydrophobicContact CD1-CB 4.16Å; I124-Q515 VanDerWaalsContact CD1-OE1 3.3Å; I124-Q515 HydrophobicContact CG2-CB 3.86Å; I124-Q515 HydrophobicContact CG2-CG 4.15Å; I124-S643 VanDerWaalsContact CG2-OG 3.24Å; I124-S643 WeakPolarHBondContact CG2-OG 3.4Å; I124-T668 HydrophobicContact CD1-CG2 4.29Å; I124-L670 HydrophobicContact CD1-CD1 3.54Å; I124-L670 HydrophobicContact CD1-CD2 4.32Å; I124-L670 HydrophobicContact CD1-CG 3.89Å; I124-L670 HydrophobicContact CG1-CD1 4.33Å
125	K	84.4	Confident	75.2	Confident	18 Å²	18	44.7 Å²	44.7	8%	0.078	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.1	172.6	179.6	-177.9	177.9	-115.4	0	110.3	G112 Q118 W123 T127 D474 Y476 S643	G112-K125 PolarHBondContact O-NZ 3.48Å; Q118-K125 VanDerWaalsContact OE1-CB 3.22Å; W123-K125 PolarHBondContact O-N 2.84Å; K125-T127 WeakPolarHBondContact CE-OG1 3.4Å; K125-T127 PolarHBondContact NZ-OG1 3.41Å; K125-D474 VanDerWaalsContact CE-OD1 3.24Å; K125-D474 WeakPolarHBondContact CE-OD1 3.12Å; K125-D474 WeakPolarHBondContact CE-OD2 3.45Å; K125-D474 HydrophobicContact CG-CB 4.45Å; K125-D474 IonicContact NZ-OD1 2.64Å; K125-D474 IonicContact NZ-OD2 2.97Å; K125-Y476 HydrophobicContact CB-CD1 4.09Å; K125-Y476 HydrophobicContact CB-CE1 3.6Å; K125-Y476 HydrophobicContact CD-CE1 4.3Å; K125-Y476 WeakPolarHBondContact CD-OH 3.43Å; K125-Y476 HydrophobicContact CG-CE1 3.95Å; K125-Y476 HydrophobicContact CG-CE2 4.48Å; K125-S643 VanDerWaalsContact C-OG 3.26Å; K125-S643 PolarHBondContact O-OG 3.33Å
126	H	84.6	Confident	75.9	Confident	12 Å²	12	48 Å²	48	6%	0.056	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116	165.8	179.8	39.8	0	0	0	109.7	I475 H477 S643 I644 S645	H126-I475 PolarHBondContact N-O 3.39Å; H126-I475 PolarHBondContact O-N 3.42Å; H126-H477 WeakPolarHBondContact CB-NE2 3.44Å; H126-S643 PolarHBondContact ND1-O 2.91Å; H126-I644 WeakPolarHBondContact ND1-CA 3.41Å; H126-S645 PolarHBondContact CE1-N 2.87Å
127	T	81.8	Confident	76.3	Confident	42 Å²	42	53.5 Å²	53.5	26%	0.258	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.6	179.8	-60.6	0	0	0	0	111.6	K125 T472 D474	K125-T127 WeakPolarHBondContact CE-OG1 3.4Å; K125-T127 PolarHBondContact NZ-OG1 3.41Å; T127-T472 HydrophobicContact CG2-CG2 4.34Å; T127-D474 VanDerWaalsContact CB-OD1 3.31Å; T127-D474 WeakPolarHBondContact CB-OD1 3.16Å; T127-D474 VanDerWaalsContact CG2-OD1 3.31Å; T127-D474 WeakPolarHBondContact CG2-OD1 3.45Å; T127-D474 PolarHBondContact OG1-OD1 3.49Å
128	I	79.9	Confident	76.9	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.7	174.8	-59.8	171.7	0	0	0	108.5	L138 Y141 T472 V473 I475	I128-L138 HydrophobicContact CG2-CD1 4.28Å; I128-Y141 HydrophobicContact CD1-CD1 3.79Å; I128-Y141 HydrophobicContact CD1-CE1 3.39Å; I128-T472 CarbonylContact O-C 3.49Å; I128-T472 VanDerWaalsContact O-CA 3.29Å; I128-T472 WeakPolarHBondContact O-CA 3.36Å; I128-V473 HydrophobicContact CB-CB 4.44Å; I128-V473 PolarHBondContact N-O 3.49Å; I128-V473 PolarHBondContact O-N 2.81Å; I128-I475 HydrophobicContact CD1-CD1 3.77Å; I128-I475 HydrophobicContact CD1-CG1 4.34Å
129	V	77.8	Confident	77.4	Confident	54 Å²	54	50.9 Å²	50.9	33%	0.327	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.2	172.8	-178.3	0	0	0	0	108.7	K131 K132 T472	V129-K131 PolarHBondContact O-N 2.82Å; V129-K132 HydrophobicContact CB-CD 4.33Å; V129-K132 HydrophobicContact CB-CG 4.39Å; V129-K132 HydrophobicContact CG1-CD 4.43Å; V129-K132 HydrophobicContact CG1-CG 4.19Å; V129-K132 PolarHBondContact O-N 2.88Å; V129-K132 VanDerWaalsContact O-N 3.13Å; V129-T472 HydrophobicContact CG2-CG2 4.37Å
130	V	77.3	Confident	78	Confident	3 Å²	3	53 Å²	53	2%	0.018	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.7	-46.7	-170.8	174.1	0	0	0	0	111.5	K132 Q133 L138 F466 C467 F470 K471 V473	V130-K132 PolarHBondContact O-N 3.5Å; V130-Q133 PolarHBondContact O-N 3.41Å; V130-Q133 VanDerWaalsContact O-N 3.13Å; V130-L138 HydrophobicContact CG1-CD2 3.91Å; V130-L138 HydrophobicContact CG2-CD2 4.46Å; V130-F466 HydrophobicContact CG2-CE1 4.42Å; V130-C467 HydrophobicContact CG1-CB 4.05Å; V130-F470 WeakPolarHBondContact CB-O 3.39Å; V130-F470 WeakPolarHBondContact CG1-O 3.04Å; V130-K471 PolarHBondContact N-O 3.47Å; V130-V473 HydrophobicContact CG2-CG2 3.77Å
131	K	68.7	Low	78.7	Confident	157 Å²	157	51.8 Å²	51.8	68%	0.683	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63.3	2.2	179.5	-64	-155.5	172	-151.5	0	115.9	V129	V129-K131 PolarHBondContact O-N 2.82Å
132	K	64.4	Low	79.3	Confident	179 Å²	179	50.9 Å²	50.9	78%	0.778	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-109.9	2.6	176.8	-66.8	-172.1	175.8	-177.1	0	114	V129 V130	V129-K132 HydrophobicContact CB-CD 4.33Å; V129-K132 HydrophobicContact CB-CG 4.39Å; V129-K132 HydrophobicContact CG1-CD 4.43Å; V129-K132 HydrophobicContact CG1-CG 4.19Å; V129-K132 PolarHBondContact O-N 2.88Å; V129-K132 VanDerWaalsContact O-N 3.13Å; V130-K132 PolarHBondContact O-N 3.5Å
133	Q	66.3	Low	79.8	Confident	68 Å²	68	51.2 Å²	51.2	32%	0.318	25%	0.251	S	S	.	.	S	Bend	trans	-120.2	149.5	177.7	-61.3	-167	2.4	0	0	110.9	V130 L138	V130-Q133 PolarHBondContact O-N 3.41Å; V130-Q133 VanDerWaalsContact O-N 3.13Å; Q133-L138 HydrophobicContact CB-CB 4.27Å
134	S	78.8	Confident	79.4	Confident	59 Å²	59	51.7 Å²	51.7	41%	0.413	26%	0.256	S	S	.	.			trans	-73.3	151	166.7	63.8	0	0	0	0	110.1	D136 K137 L138	S134-D136 VanDerWaalsContact C-N 3.3Å; S134-D136 PolarHBondContact O-N 2.81Å; S134-K137 WeakPolarHBondContact O-CB 3.47Å; S134-K137 PolarHBondContact O-N 3.28Å; S134-K137 WeakPolarHBondContact OG-CD 3.47Å; S134-K137 WeakPolarHBondContact OG-CG 3.25Å; S134-L138 PolarHBondContact O-N 3Å
135	I	82.3	Confident	79.1	Confident	61 Å²	61	52.5 Å²	52.5	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-56	-43.2	-174	-60	178.1	0	0	0	111.2	K137 L138 W139 I463 K464	I135-K137 PolarHBondContact O-N 2.86Å; I135-L138 PolarHBondContact O-N 3.01Å; I135-W139 VanDerWaalsContact O-CB 3.29Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 3.32Å; I135-I463 HydrophobicContact CG2-CB 4.34Å; I135-I463 HydrophobicContact CG2-CG1 3.88Å; I135-I463 HydrophobicContact CG2-CG2 3.64Å; I135-K464 HydrophobicContact CD1-CG 4.21Å
136	D	82.7	Confident	79	Confident	78 Å²	78	52.4 Å²	52.4	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.6	-54.2	-80.3	0	0	0	113.4	S134 N140 R307	S134-D136 VanDerWaalsContact C-N 3.3Å; S134-D136 PolarHBondContact O-N 2.81Å; D136-N140 VanDerWaalsContact O-CB 3.26Å; D136-N140 WeakPolarHBondContact O-CB 3.42Å; D136-N140 PolarHBondContact O-N 3.48Å; D136-N140 PolarHBondContact O-ND2 2.83Å; D136-R307 IonicContact OD1-CZ 2.63Å; D136-R307 IonicContact OD1-NH1 2.74Å; D136-R307 PolarHBondContact OD1-NH1 2.89Å; D136-R307 IonicContact OD1-NH2 3.31Å; D136-R307 PolarHBondContact OD1-NH2 2.83Å
137	K	78.1	Confident	78.7	Confident	148 Å²	148	57.4 Å²	57.4	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-67.3	-43.1	177.8	-75.7	177.5	-177.6	174.7	0	110.6	S134 I135 Y141	S134-K137 WeakPolarHBondContact O-CB 3.47Å; S134-K137 PolarHBondContact O-N 3.28Å; S134-K137 WeakPolarHBondContact OG-CD 3.47Å; S134-K137 WeakPolarHBondContact OG-CG 3.25Å; I135-K137 PolarHBondContact O-N 2.86Å; K137-Y141 WeakPolarHBondContact O-CB 3.36Å; K137-Y141 PolarHBondContact O-N 3.06Å
138	L	83.8	Confident	78.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-42.5	176.9	-176.4	64.5	0	0	0	111.9	I128 V130 Q133 S134 I135 N140 Y141 L142 I463 F466	I128-L138 HydrophobicContact CG2-CD1 4.28Å; V130-L138 HydrophobicContact CG1-CD2 3.91Å; V130-L138 HydrophobicContact CG2-CD2 4.46Å; Q133-L138 HydrophobicContact CB-CB 4.27Å; S134-L138 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 3.01Å; L138-N140 PolarHBondContact O-N 3.19Å; L138-Y141 PolarHBondContact O-N 3.08Å; L138-L142 HydrophobicContact CD1-CD1 4.02Å; L138-L142 HydrophobicContact CD1-CG 4Å; L138-L142 HydrophobicContact CG-CD1 3.93Å; L138-L142 HydrophobicContact CG-CG 4.29Å; L138-L142 WeakPolarHBondContact O-CB 3.43Å; L138-L142 WeakPolarHBondContact O-CG 3.25Å; L138-L142 PolarHBondContact O-N 2.97Å; L138-I463 HydrophobicContact CD2-CD1 4.44Å; L138-F466 HydrophobicContact CD2-CE1 4.39Å
139	W	87.3	Confident	78.8	Confident	17 Å²	17	59.8 Å²	59.8	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-48.4	175.5	178.1	-102.5	0	0	0	111.7	I135 S143 R260 T262 R307 L309 I463	I135-W139 VanDerWaalsContact O-CB 3.29Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 3.32Å; W139-S143 WeakPolarHBondContact O-CB 3.36Å; W139-S143 PolarHBondContact O-N 2.91Å; W139-S143 PolarHBondContact O-OG 2.71Å; W139-R260 HydrophobicContact CH2-CB 3.89Å; W139-R260 HydrophobicContact CZ2-CB 4.45Å; W139-R260 HydrophobicContact CZ3-CB 4.48Å; W139-T262 HydrophobicContact CZ2-CG2 3.94Å; W139-R307 HydrophobicContact CD2-CB 4.03Å; W139-R307 HydrophobicContact CD2-CG 4.14Å; W139-R307 HydrophobicContact CE3-CB 3.94Å; W139-R307 VanDerWaalsContact CH2-C 3.4Å; W139-R307 VanDerWaalsContact CH2-CA 3.43Å; W139-R307 HydrophobicContact CH2-CB 3.91Å; W139-R307 HydrophobicContact CH2-CG 4.47Å; W139-R307 HydrophobicContact CZ2-CB 4Å; W139-R307 HydrophobicContact CZ2-CG 4.06Å; W139-R307 HydrophobicContact CZ3-CB 3.86Å; W139-R307 VanDerWaalsContact CZ3-O 3.31Å; W139-R307 WeakPolarHBondContact CZ3-O 3.35Å; W139-L309 HydrophobicContact CE3-CD2 4.45Å; W139-L309 HydrophobicContact CZ3-CD2 3.82Å; W139-L309 HydrophobicContact CZ3-CG 4.18Å; W139-I463 HydrophobicContact CB-CG1 4.26Å; W139-I463 HydrophobicContact CE3-CB 3.82Å; W139-I463 HydrophobicContact CE3-CD1 4.13Å; W139-I463 HydrophobicContact CE3-CG1 3.96Å; W139-I463 HydrophobicContact CE3-CG2 4.22Å; W139-I463 HydrophobicContact CZ3-CB 4.32Å
140	N	82.1	Confident	78.7	Confident	98 Å²	98	60.8 Å²	60.8	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-41.4	178	-69.2	-13.9	0	0	0	111.1	D136 L138 S143 D144	D136-N140 VanDerWaalsContact O-CB 3.26Å; D136-N140 WeakPolarHBondContact O-CB 3.42Å; D136-N140 PolarHBondContact O-N 3.48Å; D136-N140 PolarHBondContact O-ND2 2.83Å; L138-N140 PolarHBondContact O-N 3.19Å; N140-S143 VanDerWaalsContact O-CB 3.31Å; N140-S143 WeakPolarHBondContact O-CB 3.46Å; N140-S143 PolarHBondContact O-N 3.35Å; N140-D144 PolarHBondContact O-N 3.45Å
141	Y	81.3	Confident	78.7	Confident	19 Å²	19	62 Å²	62	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-50.2	177.2	-169.6	-73.6	0	0	0	112.2	I128 K137 L138 S143 D144 Y145 I475 E511 S645 L647	I128-Y141 HydrophobicContact CD1-CD1 3.79Å; I128-Y141 HydrophobicContact CD1-CE1 3.39Å; K137-Y141 WeakPolarHBondContact O-CB 3.36Å; K137-Y141 PolarHBondContact O-N 3.06Å; L138-Y141 PolarHBondContact O-N 3.08Å; Y141-S143 VanDerWaalsContact C-N 3.25Å; Y141-S143 PolarHBondContact O-N 2.87Å; Y141-D144 PolarHBondContact O-N 3.24Å; Y141-Y145 HydrophobicContact CD1-CD2 4.31Å; Y141-Y145 HydrophobicContact CD1-CE2 4.08Å; Y141-Y145 HydrophobicContact CE1-CD2 4.07Å; Y141-Y145 AromaticContact CE1-CE2 3.47Å; Y141-Y145 HydrophobicContact CE1-CE2 3.47Å; Y141-Y145 VanDerWaalsContact CE1-CE2 3.47Å; Y141-Y145 AromaticContact CZ-CE2 3.96Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.32Å; Y141-I475 HydrophobicContact CD1-CD1 4.37Å; Y141-I475 HydrophobicContact CE1-CD1 3.68Å; Y141-E511 PolarHBondContact OH-OE1 2.87Å; Y141-S645 WeakPolarHBondContact OH-CB 3.15Å; Y141-S645 PolarHBondContact OH-OG 3.05Å; Y141-L647 HydrophobicContact CD2-CD1 3.61Å; Y141-L647 HydrophobicContact CD2-CG 4.31Å; Y141-L647 HydrophobicContact CE2-CD1 3.8Å; Y141-L647 HydrophobicContact CE2-CD2 4.17Å; Y141-L647 HydrophobicContact CE2-CG 3.99Å
142	L	84.4	Confident	78.7	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-30.2	178.4	-66.4	175.7	0	0	0	111.9	L138 D144 Y145 L146 I215 L309 I463 V473 I475	L138-L142 HydrophobicContact CD1-CD1 4.02Å; L138-L142 HydrophobicContact CD1-CG 4Å; L138-L142 HydrophobicContact CG-CD1 3.93Å; L138-L142 HydrophobicContact CG-CG 4.29Å; L138-L142 WeakPolarHBondContact O-CB 3.43Å; L138-L142 WeakPolarHBondContact O-CG 3.25Å; L138-L142 PolarHBondContact O-N 2.97Å; L142-D144 PolarHBondContact O-N 2.94Å; L142-Y145 PolarHBondContact O-N 3.43Å; L142-Y145 VanDerWaalsContact O-N 3.1Å; L142-L146 HydrophobicContact CB-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.1Å; L142-I215 HydrophobicContact CD2-CD1 4.08Å; L142-I215 HydrophobicContact CD2-CG2 4.31Å; L142-L309 HydrophobicContact CD1-CD1 4.19Å; L142-I463 HydrophobicContact CD1-CD1 4.43Å; L142-V473 HydrophobicContact CD2-CG1 4.22Å; L142-I475 HydrophobicContact CD2-CD1 4.49Å
143	S	82.2	Confident	78.8	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-22.5	174.9	-74.9	0	0	0	0	114.5	W139 N140 Y141 Y145 R260	W139-S143 WeakPolarHBondContact O-CB 3.36Å; W139-S143 PolarHBondContact O-N 2.91Å; W139-S143 PolarHBondContact O-OG 2.71Å; N140-S143 VanDerWaalsContact O-CB 3.31Å; N140-S143 WeakPolarHBondContact O-CB 3.46Å; N140-S143 PolarHBondContact O-N 3.35Å; Y141-S143 VanDerWaalsContact C-N 3.25Å; Y141-S143 PolarHBondContact O-N 2.87Å; S143-Y145 PolarHBondContact O-N 3.04Å; S143-R260 PolarHBondContact OG-NH1 3.24Å
144	D	74.9	Confident	79	Confident	44 Å²	44	54.4 Å²	54.4	24%	0.235	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9	175.3	-62.2	-73.4	0	0	0	113.8	N140 Y141 L142 R672 R674	N140-D144 PolarHBondContact O-N 3.45Å; Y141-D144 PolarHBondContact O-N 3.24Å; L142-D144 PolarHBondContact O-N 2.94Å; D144-R672 PolarHBondContact O-NH2 2.99Å; D144-R674 IonicContact OD1-CZ 3.87Å; D144-R674 IonicContact OD1-NH1 2.65Å; D144-R674 PolarHBondContact OD1-NH1 2.97Å; D144-R674 IonicContact OD1-NH2 3.68Å; D144-R674 IonicContact OD2-CZ 2.92Å; D144-R674 IonicContact OD2-NH1 3.85Å; D144-R674 PolarHBondContact OD2-NH1 2.83Å; D144-R674 IonicContact OD2-NH2 3.7Å; D144-R674 PolarHBondContact OD2-NH2 3.09Å
145	Y	78	Confident	78.5	Confident	16 Å²	16	54.4 Å²	54.4	6%	0.063	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-27.2	-172.9	-67.9	-75.7	0	0	0	113.6	Y141 L142 S143 T213 I475 H477 E511	Y141-Y145 HydrophobicContact CD1-CD2 4.31Å; Y141-Y145 HydrophobicContact CD1-CE2 4.08Å; Y141-Y145 HydrophobicContact CE1-CD2 4.07Å; Y141-Y145 AromaticContact CE1-CE2 3.47Å; Y141-Y145 HydrophobicContact CE1-CE2 3.47Å; Y141-Y145 VanDerWaalsContact CE1-CE2 3.47Å; Y141-Y145 AromaticContact CZ-CE2 3.96Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.32Å; L142-Y145 PolarHBondContact O-N 3.43Å; L142-Y145 VanDerWaalsContact O-N 3.1Å; S143-Y145 PolarHBondContact O-N 3.04Å; Y145-T213 HydrophobicContact CD1-CG2 3.58Å; Y145-T213 WeakPolarHBondContact CD1-OG1 3.27Å; Y145-T213 HydrophobicContact CE1-CG2 3.67Å; Y145-I475 HydrophobicContact CD2-CD1 4.16Å; Y145-I475 HydrophobicContact CE2-CD1 4.21Å; Y145-H477 AromaticContact CE1-CE1 3.7Å; Y145-H477 AromaticContact CE1-ND1 3.94Å; Y145-H477 AromaticContact CZ-CE1 3.76Å; Y145-H477 PolarHBondContact OH-CE1 2.93Å; Y145-E511 PolarHBondContact OH-OE1 3.05Å; Y145-E511 PolarHBondContact OH-OE2 3.02Å
146	L	82.2	Confident	77.5	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.084	29%	0.289	C	S	.	.	S	Bend	trans	-92.4	139.7	-178.2	-69	173.5	0	0	0	112.4	L142 I215 I257 R260 L309	L142-L146 HydrophobicContact CB-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.1Å; L146-I215 HydrophobicContact CD2-CD1 3.79Å; L146-I215 HydrophobicContact CG-CD1 3.86Å; L146-I257 HydrophobicContact CD1-CG2 3.73Å; L146-I257 HydrophobicContact CD2-CB 4.28Å; L146-I257 HydrophobicContact CD2-CG2 3.96Å; L146-R260 HydrophobicContact CB-CB 4.32Å; L146-R260 HydrophobicContact CB-CG 4.37Å; L146-R260 HydrophobicContact CD1-CB 4.45Å; L146-L309 HydrophobicContact CD1-CD2 3.47Å; L146-L309 VanDerWaalsContact CD1-CD2 3.47Å
147	L	78.7	Confident	76.6	Confident	118 Å²	118	59.9 Å²	59.9	62%	0.618	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.1	171.5	-71.1	166.3	0	0	0	111.1	K259 R260	L147-K259 CarbonylContact O-C 3.59Å; L147-K259 WeakPolarHBondContact O-CA 3.2Å; L147-R260 PolarHBondContact O-N 2.77Å
148	D	79.8	Confident	76	Confident	79 Å²	79	58 Å²	58	42%	0.422	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.8	167.1	-74.8	-58.9	0	0	0	111.6	R260	D148-R260 VanDerWaalsContact CG-NH2 3.28Å; D148-R260 IonicContact OD1-CZ 2.71Å; D148-R260 IonicContact OD1-NE 2.7Å; D148-R260 PolarHBondContact OD1-NE 3.23Å; D148-R260 IonicContact OD1-NH2 3.08Å; D148-R260 PolarHBondContact OD1-NH2 3.47Å; D148-R260 IonicContact OD2-CZ 2.76Å; D148-R260 IonicContact OD2-NE 3.72Å; D148-R260 IonicContact OD2-NH2 3.45Å; D148-R260 PolarHBondContact OD2-NH2 2.86Å
149	W	82.9	Confident	74.7	Confident	20 Å²	20	65.8 Å²	65.8	8%	0.076	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-87	124.3	168.7	-177.2	98.4	0	0	0	110.4	R151 K259 R260 R261 I265 E458 W460	W149-R151 HydrophobicContact CH2-CB 4.25Å; W149-R151 HydrophobicContact CH2-CG 3.74Å; W149-R151 HydrophobicContact CZ3-CB 4.36Å; W149-R151 HydrophobicContact CZ3-CG 3.6Å; W149-K259 HydrophobicContact CB-CD 4.2Å; W149-K259 HydrophobicContact CG-CD 4.39Å; W149-R260 WeakPolarHBondContact CB-O 3.37Å; W149-R260 PolarHBondContact N-O 2.99Å; W149-R261 HydrophobicContact CB-CB 4.14Å; W149-R261 HydrophobicContact CD2-CG 4.42Å; W149-R261 HydrophobicContact CE3-CG 3.84Å; W149-R261 HydrophobicContact CZ3-CG 4.33Å; W149-I265 HydrophobicContact CH2-CG1 4.47Å; W149-E458 PolarHBondContact NE1-OE2 2.96Å; W149-W460 HydrophobicContact CB-CH2 3.76Å; W149-W460 HydrophobicContact CB-CZ2 4.1Å; W149-W460 AromaticContact CD1-CH2 3.92Å; W149-W460 AromaticContact CD1-CZ2 3.41Å; W149-W460 VanDerWaalsContact CD1-CZ2 3.41Å; W149-W460 HydrophobicContact CD2-CZ2 4.19Å; W149-W460 AromaticContact CG-CH2 3.9Å; W149-W460 HydrophobicContact CG-CH2 3.9Å; W149-W460 AromaticContact CG-CZ2 3.69Å; W149-W460 HydrophobicContact CG-CZ2 3.69Å; W149-W460 AromaticContact NE1-CZ2 3.71Å
150	E	77	Confident	73.2	Confident	75 Å²	75	68.9 Å²	68.9	35%	0.35	34%	0.338	S	S	.	.			trans	-105.3	146.3	167.8	-55.5	-172.3	144.1	0	0	108.1	I155 K158	E150-I155 HydrophobicContact CB-CD1 4.02Å; E150-I155 HydrophobicContact CB-CG1 3.65Å; E150-I155 WeakPolarHBondContact O-CD1 3.32Å; E150-K158 IonicContact OE1-NZ 2.75Å; E150-K158 PolarHBondContact OE1-NZ 3.45Å; E150-K158 IonicContact OE2-NZ 2.63Å
151	R	76.2	Confident	72.1	Confident	29 Å²	29	69.3 Å²	69.3	11%	0.109	34%	0.337	C	S	.	.			trans	-62.2	150.1	177	-57.1	-175.5	-166.9	101.6	-10.5	110.1	W149 E153 D154 I155 P264	W149-R151 HydrophobicContact CH2-CB 4.25Å; W149-R151 HydrophobicContact CH2-CG 3.74Å; W149-R151 HydrophobicContact CZ3-CB 4.36Å; W149-R151 HydrophobicContact CZ3-CG 3.6Å; R151-E153 PolarHBondContact O-N 3.3Å; R151-D154 HydrophobicContact CB-CB 4.2Å; R151-D154 VanDerWaalsContact CB-OD2 3.26Å; R151-D154 WeakPolarHBondContact CB-OD2 3.29Å; R151-D154 WeakPolarHBondContact CD-OD2 3.31Å; R151-D154 WeakPolarHBondContact CG-OD2 3.43Å; R151-D154 IonicContact CZ-OD2 2.7Å; R151-D154 IonicContact NE-OD2 2.77Å; R151-D154 IonicContact NH1-OD1 2.71Å; R151-D154 IonicContact NH1-OD2 2.7Å; R151-D154 PolarHBondContact NH1-OD2 2.96Å; R151-D154 PolarHBondContact O-N 3.27Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 3.35Å; R151-P264 PolarHBondContact NE-O 3.44Å; R151-P264 PolarHBondContact NH2-O 3.38Å
152	P	70	Confident	70.9	Confident	82 Å²	82	75.8 Å²	75.8	53%	0.532	37%	0.366	S	S	.	.	H	α-helix	trans	-53.3	-37	171.4	-26	34.7	0	0	0	112.7	I155 M156	P152-I155 PolarHBondContact O-N 3.31Å; P152-M156 WeakPolarHBondContact O-CB 3.45Å; P152-M156 PolarHBondContact O-N 2.86Å
153	E	65.5	Low	69.4	Low	117 Å²	117	79.6 Å²	79.6	55%	0.547	39%	0.385	S	S	.	.	H	α-helix	trans	-66.4	-44.3	175.8	-62.4	169.5	-93.7	0	0	112.5	R151 M156 M157	R151-E153 PolarHBondContact O-N 3.3Å; E153-M156 CarbonylContact O-C 3.51Å; E153-M156 PolarHBondContact O-N 3.37Å; E153-M157 PolarHBondContact O-N 2.98Å
154	D	70.2	Confident	68.1	Low	44 Å²	44	83 Å²	83	24%	0.235	40%	0.402	C	S	.	.	H	α-helix	trans	-67.9	-35.9	176.5	-66	-50.3	0	0	0	111.5	R151 M157 K158	R151-D154 HydrophobicContact CB-CB 4.2Å; R151-D154 VanDerWaalsContact CB-OD2 3.26Å; R151-D154 WeakPolarHBondContact CB-OD2 3.29Å; R151-D154 WeakPolarHBondContact CD-OD2 3.31Å; R151-D154 WeakPolarHBondContact CG-OD2 3.43Å; R151-D154 IonicContact CZ-OD2 2.7Å; R151-D154 IonicContact NE-OD2 2.77Å; R151-D154 IonicContact NH1-OD1 2.71Å; R151-D154 IonicContact NH1-OD2 2.7Å; R151-D154 PolarHBondContact NH1-OD2 2.96Å; R151-D154 PolarHBondContact O-N 3.27Å; D154-M157 PolarHBondContact O-N 2.89Å; D154-K158 WeakPolarHBondContact O-CB 3.36Å; D154-K158 WeakPolarHBondContact O-CG 3.49Å; D154-K158 PolarHBondContact O-N 2.96Å
155	I	69.1	Low	67.2	Low	59 Å²	59	85.7 Å²	85.7	30%	0.303	41%	0.411	S	S	.	.	H	α-helix	trans	-66.9	-40.6	172.7	-65.6	166.2	0	0	0	110.5	E150 R151 P152 R159	E150-I155 HydrophobicContact CB-CD1 4.02Å; E150-I155 HydrophobicContact CB-CG1 3.65Å; E150-I155 WeakPolarHBondContact O-CD1 3.32Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 3.35Å; P152-I155 PolarHBondContact O-N 3.31Å; I155-R159 WeakPolarHBondContact O-CB 3.44Å; I155-R159 PolarHBondContact O-N 3.34Å
156	M	61.9	Low	66	Low	127 Å²	127	90.4 Å²	90.4	63%	0.626	44%	0.435	S	S	*	.	H	α-helix	trans	-66.9	-42.7	173.3	-84.2	-164.6	166	0	0	111.4	P152 E153 K158 R159 N160	P152-M156 WeakPolarHBondContact O-CB 3.45Å; P152-M156 PolarHBondContact O-N 2.86Å; E153-M156 CarbonylContact O-C 3.51Å; E153-M156 PolarHBondContact O-N 3.37Å; M156-K158 PolarHBondContact O-N 3.24Å; M156-R159 CarbonylContact O-C 3.58Å; M156-R159 PolarHBondContact O-N 2.88Å; M156-N160 VanDerWaalsContact O-CB 3.22Å; M156-N160 WeakPolarHBondContact O-CB 3.22Å; M156-N160 PolarHBondContact O-N 3.16Å; M156-N160 PolarHBondContact O-OD1 2.85Å
157	M	62.3	Low	64.5	Low	128 Å²	128	93.8 Å²	93.8	63%	0.631	45%	0.451	S	S	*	.	H	α-helix	trans	-66.5	-36	175	-74.6	-143	-75.5	0	0	112.4	E153 D154 N160 E161	E153-M157 PolarHBondContact O-N 2.98Å; D154-M157 PolarHBondContact O-N 2.89Å; M157-N160 PolarHBondContact O-N 2.71Å; M157-E161 VanDerWaalsContact O-CB 3.29Å; M157-E161 WeakPolarHBondContact O-CB 3.47Å; M157-E161 WeakPolarHBondContact O-CG 3.4Å; M157-E161 PolarHBondContact O-N 3.26Å
158	K	65.7	Low	63.2	Low	109 Å²	109	93.4 Å²	93.4	47%	0.474	45%	0.446	S	S	.	.	H	α-helix	trans	-69	-33.4	171.1	-75.2	179.6	-175.3	-177.1	0	113.1	E150 D154 M156 K162	E150-K158 IonicContact OE1-NZ 2.75Å; E150-K158 PolarHBondContact OE1-NZ 3.45Å; E150-K158 IonicContact OE2-NZ 2.63Å; D154-K158 WeakPolarHBondContact O-CB 3.36Å; D154-K158 WeakPolarHBondContact O-CG 3.49Å; D154-K158 PolarHBondContact O-N 2.96Å; M156-K158 PolarHBondContact O-N 3.24Å; K158-K162 WeakPolarHBondContact O-CB 3.38Å; K158-K162 WeakPolarHBondContact O-CG 3.41Å; K158-K162 PolarHBondContact O-N 3.37Å; K158-K162 VanDerWaalsContact O-N 3.1Å
159	R	57.6	Low	61.7	Low	164 Å²	164	95.6 Å²	95.6	62%	0.619	46%	0.455	S	S	*	.	H	α-helix	trans	-68.8	-43.5	170.9	-94.6	-171.4	166.9	86.5	-5	111.5	I155 M156 K162 L163	I155-R159 WeakPolarHBondContact O-CB 3.44Å; I155-R159 PolarHBondContact O-N 3.34Å; M156-R159 CarbonylContact O-C 3.58Å; M156-R159 PolarHBondContact O-N 2.88Å; R159-K162 CarbonylContact O-C 3.57Å; R159-K162 PolarHBondContact O-N 3.06Å; R159-L163 WeakPolarHBondContact O-CB 3.45Å; R159-L163 WeakPolarHBondContact O-CG 3.38Å; R159-L163 PolarHBondContact O-N 2.81Å
160	N	55.3	Low	59.9	Low	81 Å²	81	98.5 Å²	98.5	43%	0.433	47%	0.469	S	S	.	.	H	α-helix	trans	-74.4	-35	-177.6	-66.9	1.3	0	0	0	110.8	M156 M157 L163 L164	M156-N160 VanDerWaalsContact O-CB 3.22Å; M156-N160 WeakPolarHBondContact O-CB 3.22Å; M156-N160 PolarHBondContact O-N 3.16Å; M156-N160 PolarHBondContact O-OD1 2.85Å; M157-N160 PolarHBondContact O-N 2.71Å; N160-L163 PolarHBondContact O-N 3.14Å; N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 WeakPolarHBondContact O-CD1 3.45Å; N160-L164 PolarHBondContact O-N 3.19Å
161	E	58.7	Low	58.3	Low	108 Å²	108	100.9 Å²	100.9	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-41.5	165.7	-86.1	-144.2	133.3	0	0	111.6	M157 K165	M157-E161 VanDerWaalsContact O-CB 3.29Å; M157-E161 WeakPolarHBondContact O-CB 3.47Å; M157-E161 WeakPolarHBondContact O-CG 3.4Å; M157-E161 PolarHBondContact O-N 3.26Å; E161-K165 WeakPolarHBondContact O-CB 3.11Å; E161-K165 WeakPolarHBondContact O-CD 3.23Å; E161-K165 WeakPolarHBondContact O-CG 3.42Å; E161-K165 PolarHBondContact O-N 3.03Å; E161-K165 IonicContact OE1-NZ 2.7Å; E161-K165 PolarHBondContact OE1-NZ 2.99Å; E161-K165 IonicContact OE2-NZ 3.67Å; E161-K165 PolarHBondContact OE2-NZ 3.4Å
162	K	56	Low	56.8	Low	154 Å²	154	105.7 Å²	105.7	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-69.1	-35.1	176.2	-85.7	-174.4	171.2	-178.2	0	112.4	K158 R159 M166	K158-K162 WeakPolarHBondContact O-CB 3.38Å; K158-K162 WeakPolarHBondContact O-CG 3.41Å; K158-K162 PolarHBondContact O-N 3.37Å; K158-K162 VanDerWaalsContact O-N 3.1Å; R159-K162 CarbonylContact O-C 3.57Å; R159-K162 PolarHBondContact O-N 3.06Å; K162-M166 VanDerWaalsContact O-CB 3.25Å; K162-M166 WeakPolarHBondContact O-CB 2.96Å; K162-M166 VanDerWaalsContact O-CG 3.28Å; K162-M166 WeakPolarHBondContact O-CG 3.31Å; K162-M166 PolarHBondContact O-N 2.99Å
163	L	54	Low	55.2	Low	81 Å²	81	108.2 Å²	108.2	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-54.4	172.2	-80.5	161.6	0	0	0	109.5	R159 N160 K165 M166 E167	R159-L163 WeakPolarHBondContact O-CB 3.45Å; R159-L163 WeakPolarHBondContact O-CG 3.38Å; R159-L163 PolarHBondContact O-N 2.81Å; N160-L163 PolarHBondContact O-N 3.14Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.26Å; L163-M166 CarbonylContact O-C 3.57Å; L163-M166 WeakPolarHBondContact O-CA 3.18Å; L163-M166 WeakPolarHBondContact O-CB 3.4Å; L163-M166 PolarHBondContact O-N 3.32Å; L163-E167 VanDerWaalsContact O-CB 3.31Å; L163-E167 WeakPolarHBondContact O-CB 3.46Å; L163-E167 VanDerWaalsContact O-CG 3.3Å; L163-E167 WeakPolarHBondContact O-CG 3.27Å; L163-E167 PolarHBondContact O-N 3.32Å
164	L	54.9	Low	53.6	Low	92 Å²	92	108.1 Å²	108.1	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-57.3	-34.6	174.4	-91.3	83.4	0	0	0	113	N160 Q168	N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 WeakPolarHBondContact O-CD1 3.45Å; N160-L164 PolarHBondContact O-N 3.19Å; L164-Q168 WeakPolarHBondContact O-CB 3.46Å; L164-Q168 WeakPolarHBondContact O-CG 3.5Å; L164-Q168 PolarHBondContact O-N 3.01Å
165	K	56.1	Low	52.1	Low	101 Å²	101	113 Å²	113	44%	0.439	54%	0.536	S	S	.	.	H	α-helix	trans	-76.7	-32.2	176.3	-70.7	163.1	-168.2	172.7	0	111.9	E161 L163 M169	E161-K165 WeakPolarHBondContact O-CB 3.11Å; E161-K165 WeakPolarHBondContact O-CD 3.23Å; E161-K165 WeakPolarHBondContact O-CG 3.42Å; E161-K165 PolarHBondContact O-N 3.03Å; E161-K165 IonicContact OE1-NZ 2.7Å; E161-K165 PolarHBondContact OE1-NZ 2.99Å; E161-K165 IonicContact OE2-NZ 3.67Å; E161-K165 PolarHBondContact OE2-NZ 3.4Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.26Å; K165-M169 WeakPolarHBondContact O-CB 3.34Å; K165-M169 WeakPolarHBondContact O-CG 3.15Å; K165-M169 PolarHBondContact O-N 2.75Å; K165-M169 VanDerWaalsContact O-N 3.08Å
166	M	52.1	Low	50.3	Low	114 Å²	114	117.9 Å²	117.9	56%	0.562	56%	0.557	S	S	*	*	H	α-helix	trans	-70.9	-39.4	168.1	-80.7	174.5	52.1	0	0	112.1	K162 L163 M169 E170	K162-M166 VanDerWaalsContact O-CB 3.25Å; K162-M166 WeakPolarHBondContact O-CB 2.96Å; K162-M166 VanDerWaalsContact O-CG 3.28Å; K162-M166 WeakPolarHBondContact O-CG 3.31Å; K162-M166 PolarHBondContact O-N 2.99Å; L163-M166 CarbonylContact O-C 3.57Å; L163-M166 WeakPolarHBondContact O-CA 3.18Å; L163-M166 WeakPolarHBondContact O-CB 3.4Å; L163-M166 PolarHBondContact O-N 3.32Å; M166-M169 PolarHBondContact O-N 3.25Å; M166-E170 VanDerWaalsContact O-CB 3.22Å; M166-E170 WeakPolarHBondContact O-CB 3.31Å; M166-E170 VanDerWaalsContact O-CG 3.3Å; M166-E170 WeakPolarHBondContact O-CG 3.48Å; M166-E170 PolarHBondContact O-N 3.08Å
167	E	51.5	Low	48.8	Very low	88 Å²	88	119.6 Å²	119.6	41%	0.411	56%	0.563	S	S	.	*	H	α-helix	trans	-74.2	-30.9	178.3	-71.8	172.9	147.4	0	0	110.9	L163 M171	L163-E167 VanDerWaalsContact O-CB 3.31Å; L163-E167 WeakPolarHBondContact O-CB 3.46Å; L163-E167 VanDerWaalsContact O-CG 3.3Å; L163-E167 WeakPolarHBondContact O-CG 3.27Å; L163-E167 PolarHBondContact O-N 3.32Å; E167-M171 WeakPolarHBondContact O-CA 3.36Å; E167-M171 WeakPolarHBondContact O-CB 3.13Å; E167-M171 WeakPolarHBondContact O-CG 3.36Å; E167-M171 PolarHBondContact O-N 2.79Å
168	Q	50.9	Low	47.3	Very low	110 Å²	110	123 Å²	123	51%	0.514	58%	0.577	S	S	.	*	H	α-helix	trans	-71.6	-41.2	169.6	-77.5	168	-2.5	0	0	111.2	L164 M171 I172	L164-Q168 WeakPolarHBondContact O-CB 3.46Å; L164-Q168 WeakPolarHBondContact O-CG 3.5Å; L164-Q168 PolarHBondContact O-N 3.01Å; Q168-M171 PolarHBondContact O-N 2.89Å; Q168-I172 WeakPolarHBondContact O-CB 3.35Å; Q168-I172 WeakPolarHBondContact O-CD1 3.46Å; Q168-I172 WeakPolarHBondContact O-CG1 3.33Å; Q168-I172 PolarHBondContact O-N 3.33Å
169	M	47.9	Very low	45.4	Very low	125 Å²	125	121.1 Å²	121.1	62%	0.616	59%	0.589	S	S	*	*	H	α-helix	trans	-63.6	-46.2	170.6	-75.8	-179.9	61.5	0	0	111.6	K165 M166 M171 I172 E173	K165-M169 WeakPolarHBondContact O-CB 3.34Å; K165-M169 WeakPolarHBondContact O-CG 3.15Å; K165-M169 PolarHBondContact O-N 2.75Å; K165-M169 VanDerWaalsContact O-N 3.08Å; M166-M169 PolarHBondContact O-N 3.25Å; M169-M171 PolarHBondContact O-N 2.76Å; M169-I172 PolarHBondContact O-N 2.86Å; M169-E173 PolarHBondContact O-N 2.87Å
170	E	45.1	Very low	43.9	Very low	80 Å²	80	119.8 Å²	119.8	37%	0.374	60%	0.598	S	S	.	*	H	α-helix	trans	-69.1	-29.4	177.5	-77.8	-159.8	134	0	0	112.7	M166 K174	M166-E170 VanDerWaalsContact O-CB 3.22Å; M166-E170 WeakPolarHBondContact O-CB 3.31Å; M166-E170 VanDerWaalsContact O-CG 3.3Å; M166-E170 WeakPolarHBondContact O-CG 3.48Å; M166-E170 PolarHBondContact O-N 3.08Å; E170-K174 HydrophobicContact CB-CD 4.14Å; E170-K174 WeakPolarHBondContact O-CA 3.44Å; E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 WeakPolarHBondContact O-CD 3.23Å; E170-K174 WeakPolarHBondContact O-CG 3.17Å; E170-K174 PolarHBondContact O-N 2.75Å; E170-K174 WeakPolarHBondContact OE1-CE 3.49Å; E170-K174 IonicContact OE1-NZ 2.78Å; E170-K174 PolarHBondContact OE1-NZ 2.85Å; E170-K174 IonicContact OE2-NZ 3.77Å; E170-K174 PolarHBondContact OE2-NZ 2.75Å
171	M	43.7	Very low	42.7	Very low	125 Å²	125	122.7 Å²	122.7	62%	0.616	61%	0.613	S	S	*	*	H	α-helix	trans	-72.7	-33.1	171.6	-78.7	177	-165.7	0	0	111	E167 Q168 M169 I175	E167-M171 WeakPolarHBondContact O-CA 3.36Å; E167-M171 WeakPolarHBondContact O-CB 3.13Å; E167-M171 WeakPolarHBondContact O-CG 3.36Å; E167-M171 PolarHBondContact O-N 2.79Å; Q168-M171 PolarHBondContact O-N 2.89Å; M169-M171 PolarHBondContact O-N 2.76Å; M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.47Å; M171-I175 PolarHBondContact O-N 2.85Å
172	I	44.4	Very low	41	Very low	130 Å²	130	122.4 Å²	122.4	67%	0.667	62%	0.622	S	S	*	*	H	α-helix	trans	-68.2	-37.8	172.3	-70.4	165.7	0	0	0	110.8	Q168 M169	Q168-I172 WeakPolarHBondContact O-CB 3.35Å; Q168-I172 WeakPolarHBondContact O-CD1 3.46Å; Q168-I172 WeakPolarHBondContact O-CG1 3.33Å; Q168-I172 PolarHBondContact O-N 3.33Å; M169-I172 PolarHBondContact O-N 2.86Å
173	E	36.6	Very low	39.6	Very low	135 Å²	135	119.6 Å²	119.6	63%	0.631	62%	0.622	S	S	*	*	H	α-helix	trans	-80.1	-31.5	175	-69.9	-178	141.3	0	0	113.8	M169 E176	M169-E173 PolarHBondContact O-N 2.87Å; E173-E176 PolarHBondContact O-N 2.81Å
174	K	30.8	Very low	38.3	Very low	116 Å²	116	121.9 Å²	121.9	50%	0.504	64%	0.639	S	S	.	*	H	α-helix	trans	-91.5	2.1	-176.9	-63.9	169.4	-172.9	176.6	0	114.3	E170	E170-K174 HydrophobicContact CB-CD 4.14Å; E170-K174 WeakPolarHBondContact O-CA 3.44Å; E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 WeakPolarHBondContact O-CD 3.23Å; E170-K174 WeakPolarHBondContact O-CG 3.17Å; E170-K174 PolarHBondContact O-N 2.75Å; E170-K174 WeakPolarHBondContact OE1-CE 3.49Å; E170-K174 IonicContact OE1-NZ 2.78Å; E170-K174 PolarHBondContact OE1-NZ 2.85Å; E170-K174 IonicContact OE2-NZ 3.77Å; E170-K174 PolarHBondContact OE2-NZ 2.75Å
175	I	38.6	Very low	36.9	Very low	147 Å²	147	124.5 Å²	124.5	75%	0.754	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-22.1	160.8	-79.6	165.7	0	0	0	111	M171	M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.47Å; M171-I175 PolarHBondContact O-N 2.85Å
176	E	31.4	Very low	35.5	Very low	160 Å²	160	126.9 Å²	126.9	75%	0.748	66%	0.659	S	S	*	*	S	Bend	trans	-85.7	-20.2	179.9	-62.1	-161.5	135.7	0	0	114.7	E173	E173-E176 PolarHBondContact O-N 2.81Å
177	H	30.5	Very low	34.2	Very low	163 Å²	163	127.8 Å²	127.8	76%	0.755	67%	0.667	S	S	*	*			trans	-142.9	107.9	177.6	-79.9	-58.3	0	0	0	114.8
178	H	31.7	Very low	33	Very low	200 Å²	200	131.2 Å²	131.2	93%	0.926	68%	0.68	S	S	*	*			trans	-61.6	136.4	163.6	-75.7	-57.5	0	0	0	111.7
179	G	25.3	Very low	31.7	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	69%	0.687	S	S	*	*			trans	-124.1	176	166.6	0	0	0	0	0	111.7
180	V	27.2	Very low	30.7	Very low	136 Å²	136	131.9 Å²	131.9	82%	0.824	69%	0.689	S	S	*	*			trans	-164.2	136.8	167	116.2	0	0	0	0	113.7
181	I	28.5	Very low	29.8	Very low	143 Å²	143	135.1 Å²	135.1	73%	0.733	71%	0.709	S	S	*	*			trans	72.2	103.4	155.9	-68.2	174	0	0	0	121.5
182	S	24.6	Very low	28.9	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	73%	0.725	S	S	*	*				34.8	165.6	120.9	91.5	0	0	0	0	123.3
183	S	25.9	Very low	28	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	73%	0.726	S	S	*	*			cis	-164.8	150.7	8.4	9.1	0	0	0	0	114.4
184	V	27.3	Very low	27.5	Very low	129 Å²	129	141.9 Å²	141.9	78%	0.782	73%	0.73	S	S	*	*			trans	70.7	113.2	145.8	178	0	0	0	0	121.5
185	E	25.4	Very low	27.1	Very low	146 Å²	146	144.4 Å²	144.4	68%	0.682	74%	0.741	S	S	*	*			trans	15.4	156.1	133	-49.7	-171.2	131.5	0	0	122.1
186	K	25.6	Very low	26.5	Very low	151 Å²	151	142.8 Å²	142.8	66%	0.657	73%	0.734	S	S	*	*			cis	-161.6	138.9	31.9	-143.5	142.2	-168.3	155.2	0	115.5
187	N	25.2	Very low	26.3	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	74%	0.739	S	S	*	*			trans	63.5	127.2	145.2	-74.9	-3.7	0	0	0	125.7
188	K	25.6	Very low	25.9	Very low	159 Å²	159	141.5 Å²	141.5	69%	0.691	74%	0.737	S	S	*	*			trans	88.9	96.7	137.1	-78.7	-169.7	164.3	-114	0	122.5
189	E	25.5	Very low	25.5	Very low	142 Å²	142	138.4 Å²	138.4	66%	0.664	73%	0.727	S	S	*	*				116.6	119.2	107.8	-85.8	170.8	-174.6	0	0	121.6
190	T	26.2	Very low	25.4	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.663	73%	0.728	S	S	*	*			trans	84.5	104.8	139.8	54.8	0	0	0	0	124.1
191	N	25.5	Very low	25.2	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	72%	0.722	S	S	*	*				88.9	116.2	119.8	-62.7	-7.1	0	0	0	122
192	K	24.4	Very low	25.1	Very low	217 Å²	217	142.6 Å²	142.6	94%	0.943	73%	0.73	S	S	*	*			trans	-154.2	159.6	134.6	-115.6	168.2	-174.1	170.5	0	111.2
193	E	25.3	Very low	25.1	Very low	149 Å²	149	143.7 Å²	143.7	70%	0.696	73%	0.733	S	S	*	*			trans	-96.2	162.3	-175.2	-69.9	-170.4	108.5	0	0	114.7
194	K	26.7	Very low	25.3	Very low	165 Å²	165	149.1 Å²	149.1	72%	0.717	74%	0.744	S	S	*	*			trans	67.2	114.3	148.8	-74	150	-179.7	147.5	0	119.4
195	K	23.4	Very low	25.1	Very low	170 Å²	170	150 Å²	150	74%	0.739	74%	0.744	S	S	*	*				-163.9	150.2	101.9	-107.2	-168.6	158.6	-71.7	0	115.2
196	D	26.1	Very low	25.1	Very low	113 Å²	113	151.2 Å²	151.2	60%	0.604	75%	0.752	S	S	*	*			trans	41	113.1	147.4	-47	-10.4	0	0	0	123.7
197	Q	26.4	Very low	25.5	Very low	179 Å²	179	151 Å²	151	84%	0.836	76%	0.757	S	S	*	*				55.7	148.9	123.3	-70.2	-175.4	-14.7	0	0	125.5
198	T	22.7	Very low	26.3	Very low	116 Å²	116	148.3 Å²	148.3	71%	0.712	75%	0.747	S	S	*	*			trans	71.5	103	160	42.7	0	0	0	0	120.9
199	D	22.9	Very low	27.6	Very low	135 Å²	135	150 Å²	150	72%	0.722	76%	0.755	S	S	*	*				46.9	112.9	130	-45.6	-32.2	0	0	0	119.1
200	H	23.1	Very low	29.3	Very low	159 Å²	159	147.4 Å²	147.4	74%	0.736	74%	0.744	S	S	*	*				-168.4	162	64.3	-111.9	-75.5	0	0	0	114.3
201	N	23	Very low	31.5	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	72%	0.715	S	S	*	*			trans	53.2	97.8	148.6	-57.9	-16.9	0	0	0	120.2
202	T	26.8	Very low	34.2	Very low	146 Å²	146	139.8 Å²	139.8	90%	0.896	70%	0.697	S	S	*	*			trans	-139.9	119.3	133.2	-38.5	0	0	0	0	110.2	K204	T202-K204 PolarHBondContact O-N 2.99Å
203	T	24.4	Very low	37	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	66%	0.66	S	S	*	*			trans	-79.9	89.3	-163.8	-35	0	0	0	0	112.2	L205	T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 2.84Å
204	K	29.4	Very low	39.7	Very low	210 Å²	210	126.8 Å²	126.8	91%	0.913	64%	0.643	S	S	*	*			trans	-67.7	97.4	161.9	-91.2	-176	175.9	175	0	109.1	T202	T202-K204 PolarHBondContact O-N 2.99Å
205	L	24.5	Very low	42.6	Very low	147 Å²	147	119.1 Å²	119.1	77%	0.77	61%	0.61	S	S	*	*			trans	-53.8	145.3	-179.1	-165.8	68.1	0	0	0	111.3	T203	T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 2.84Å
206	M	25.6	Very low	45.5	Very low	172 Å²	172	112.7 Å²	112.7	85%	0.847	58%	0.582	S	S	*	*			trans	-61.9	135.1	-169.4	-62.6	161.5	73.9	0	0	112.7
207	N	32.4	Very low	48.2	Very low	146 Å²	146	107.3 Å²	107.3	78%	0.781	55%	0.554	S	S	*	*			trans	-140.5	129.7	148.6	-104.7	-12.4	0	0	0	107.1	K209	N207-K209 PolarHBondContact O-N 3.2Å
208	P	42	Very low	50.5	Low	78 Å²	78	100.1 Å²	100.1	51%	0.506	52%	0.523	S	S	.	.			trans	-63.7	131.4	173.6	27.6	-32.6	0	0	0	108.6	I210 S675	P208-I210 PolarHBondContact O-N 3.48Å; P208-S675 WeakPolarHBondContact CG-OG 3.31Å
209	K	52.7	Low	52.4	Low	194 Å²	194	95.3 Å²	95.3	84%	0.843	49%	0.494	S	S	*	.			trans	-65.2	106.5	-178.5	-73	-177.2	177.6	179.2	0	109.9	N207	N207-K209 PolarHBondContact O-N 3.2Å
210	I	63.1	Low	54	Low	87 Å²	87	91.2 Å²	91.2	45%	0.446	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-62	129	159.8	-55.9	174.8	0	0	0	106.1	P208	P208-I210 PolarHBondContact O-N 3.48Å
211	P	71.6	Confident	55.1	Low	7 Å²	7	86 Å²	86	5%	0.045	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-65.2	152.5	178.8	28.6	-35.8	0	0	0	110.3	T213 T481 Y482	P211-T213 PolarHBondContact O-N 2.74Å; P211-T481 WeakPolarHBondContact CA-OG1 3.45Å; P211-T481 WeakPolarHBondContact CB-OG1 3.41Å; P211-Y482 HydrophobicContact CB-CD1 4.49Å; P211-Y482 HydrophobicContact CB-CD2 3.7Å; P211-Y482 HydrophobicContact CB-CE1 4.27Å; P211-Y482 HydrophobicContact CB-CE2 3.41Å; P211-Y482 VanDerWaalsContact CB-CE2 3.41Å; P211-Y482 HydrophobicContact CB-CG 4.22Å; P211-Y482 HydrophobicContact CG-CD1 4.49Å; P211-Y482 HydrophobicContact CG-CD2 4.41Å; P211-Y482 HydrophobicContact CG-CE1 3.95Å; P211-Y482 HydrophobicContact CG-CE2 3.85Å
212	E	80.9	Confident	56	Low	89 Å²	89	82.7 Å²	82.7	42%	0.416	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-74.5	116.1	178.3	-70.6	170.7	-120.3	0	0	109.8	W123 K478 T481	W123-E212 HydrophobicContact CH2-CB 4.13Å; E212-K478 HydrophobicContact CB-CB 4.01Å; E212-K478 HydrophobicContact CB-CD 3.83Å; E212-K478 HydrophobicContact CG-CD 4.29Å; E212-K478 WeakPolarHBondContact O-CB 3.47Å; E212-K478 PolarHBondContact O-N 3.25Å; E212-K478 IonicContact OE1-NZ 2.73Å; E212-K478 PolarHBondContact OE1-NZ 2.92Å; E212-K478 WeakPolarHBondContact OE2-CD 3.19Å; E212-K478 IonicContact OE2-NZ 3.7Å; E212-K478 PolarHBondContact OE2-NZ 3.42Å; E212-T481 HydrophobicContact CB-CG2 4.04Å; E212-T481 HydrophobicContact CG-CG2 3.99Å; E212-T481 PolarHBondContact N-OG1 3.14Å; E212-T481 WeakPolarHBondContact OE1-CG2 3.43Å
213	T	83.7	Confident	56.5	Low	27 Å²	27	78.3 Å²	78.3	17%	0.166	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.4	174.4	55.9	0	0	0	0	111.2	Y145 P211 I475 Y476 H477	Y145-T213 HydrophobicContact CD1-CG2 3.58Å; Y145-T213 WeakPolarHBondContact CD1-OG1 3.27Å; Y145-T213 HydrophobicContact CE1-CG2 3.67Å; P211-T213 PolarHBondContact O-N 2.74Å; T213-I475 HydrophobicContact CG2-CG2 4.28Å; T213-Y476 WeakPolarHBondContact CA-O 3.3Å; T213-H477 WeakPolarHBondContact CG2-ND1 3.44Å
214	I	83.5	Confident	57	Low	67 Å²	67	74.8 Å²	74.8	34%	0.344	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.3	170.8	-65.3	164.4	0	0	0	107.8	W123 F216 Y476	W123-I214 HydrophobicContact CE3-CD1 4.33Å; W123-I214 HydrophobicContact CH2-CD1 3.7Å; W123-I214 HydrophobicContact CH2-CG1 4.07Å; W123-I214 HydrophobicContact CZ2-CD1 4.48Å; W123-I214 HydrophobicContact CZ3-CB 4.27Å; W123-I214 HydrophobicContact CZ3-CD1 3.62Å; W123-I214 HydrophobicContact CZ3-CG1 3.68Å; I214-F216 HydrophobicContact CB-CE2 4.48Å; I214-F216 HydrophobicContact CG2-CD2 3.99Å; I214-F216 HydrophobicContact CG2-CE1 4.33Å; I214-F216 HydrophobicContact CG2-CE2 3.42Å; I214-F216 VanDerWaalsContact CG2-CE2 3.42Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; I214-Y476 PolarHBondContact N-O 3.04Å; I214-Y476 PolarHBondContact O-N 3.3Å
215	I	86.3	Confident	57.2	Low	3 Å²	3	67.9 Å²	67.9	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127	-176.8	-52.2	-175.5	0	0	0	109.4	L142 L146 C256 I257 V473 I475	L142-I215 HydrophobicContact CD2-CD1 4.08Å; L142-I215 HydrophobicContact CD2-CG2 4.31Å; L146-I215 HydrophobicContact CD2-CD1 3.79Å; L146-I215 HydrophobicContact CG-CD1 3.86Å; I215-C256 CarbonylContact O-C 3.59Å; I215-C256 WeakPolarHBondContact O-CA 3.06Å; I215-C256 PolarHBondContact O-SG 3.34Å; I215-I257 HydrophobicContact CB-CB 4.21Å; I215-I257 HydrophobicContact CB-CG1 4.49Å; I215-I257 HydrophobicContact CG2-CB 4.13Å; I215-I257 HydrophobicContact CG2-CD1 3.67Å; I215-I257 HydrophobicContact CG2-CG1 3.94Å; I215-I257 PolarHBondContact O-N 2.65Å; I215-V473 HydrophobicContact CG2-CG1 3.34Å; I215-I475 HydrophobicContact CG1-CG1 4.23Å; I215-I475 HydrophobicContact CG1-CG2 4.28Å; I215-I475 HydrophobicContact CG2-CG1 4.24Å
216	F	84.7	Confident	57.6	Low	35 Å²	35	67.6 Å²	67.6	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	174.7	-69.7	-69.2	0	0	0	111.2	I117 I214 P254 I255 C256 V473 D474 Y476	I117-F216 HydrophobicContact CD1-CD2 4.48Å; I117-F216 HydrophobicContact CD1-CE2 4.14Å; I214-F216 HydrophobicContact CB-CE2 4.48Å; I214-F216 HydrophobicContact CG2-CD2 3.99Å; I214-F216 HydrophobicContact CG2-CE1 4.33Å; I214-F216 HydrophobicContact CG2-CE2 3.42Å; I214-F216 VanDerWaalsContact CG2-CE2 3.42Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; F216-P254 HydrophobicContact CB-CB 3.82Å; F216-P254 HydrophobicContact CD1-CB 3.69Å; F216-P254 HydrophobicContact CD1-CG 4.14Å; F216-P254 HydrophobicContact CE1-CB 4.42Å; F216-P254 HydrophobicContact CE1-CG 4.4Å; F216-P254 HydrophobicContact CG-CB 3.84Å; F216-P254 HydrophobicContact CG-CG 4.48Å; F216-I255 CarbonylContact C-O 3.4Å; F216-I255 WeakPolarHBondContact CA-O 3.4Å; F216-C256 HydrophobicContact CD1-CB 4Å; F216-C256 HydrophobicContact CE1-CB 3.88Å; F216-V473 CarbonylContact O-C 3.5Å; F216-V473 VanDerWaalsContact O-CA 3.3Å; F216-V473 WeakPolarHBondContact O-CA 3.45Å; F216-D474 PolarHBondContact N-O 3.4Å; F216-D474 PolarHBondContact O-N 3.38Å; F216-Y476 AromaticContact CD2-CD2 3.74Å; F216-Y476 HydrophobicContact CD2-CD2 3.74Å; F216-Y476 AromaticContact CD2-CE2 3.8Å; F216-Y476 HydrophobicContact CD2-CE2 3.8Å; F216-Y476 HydrophobicContact CE2-CD2 4.19Å; F216-Y476 HydrophobicContact CE2-CE2 4.42Å
217	A	82.4	Confident	57.9	Low	1 Å²	1	63.6 Å²	63.6	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.8	171.8	0	0	0	0	0	110.8	I255 I257 F466 F470 T472 V473	A217-I255 PolarHBondContact N-O 3.01Å; A217-I255 PolarHBondContact O-N 2.95Å; A217-I257 HydrophobicContact CB-CD1 4.27Å; A217-I257 HydrophobicContact CB-CG1 4.32Å; A217-F466 HydrophobicContact CB-CE2 3.73Å; A217-F466 HydrophobicContact CB-CZ 3.72Å; A217-F470 HydrophobicContact CB-CB 4.17Å; A217-F470 HydrophobicContact CB-CD1 3.31Å; A217-F470 HydrophobicContact CB-CD2 4.44Å; A217-F470 HydrophobicContact CB-CE1 3.69Å; A217-F470 HydrophobicContact CB-CG 3.73Å; A217-F470 HydrophobicContact CB-CZ 4.4Å; A217-T472 WeakPolarHBondContact CA-O 3.45Å; A217-V473 HydrophobicContact CB-CG2 4.25Å
218	S	74.8	Confident	57.8	Low	27 Å²	27	60.3 Å²	60.3	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.3	175.4	178.4	0	0	0	0	112.2	K220 K471 T472	S218-K220 VanDerWaalsContact C-N 3.31Å; S218-K220 PolarHBondContact OG-N 3.29Å; S218-K220 PolarHBondContact OG-O 2.96Å; S218-K471 PolarHBondContact O-N 2.82Å; S218-T472 PolarHBondContact N-O 2.8Å; S218-T472 PolarHBondContact O-N 2.98Å
219	C	63.8	Low	57.1	Low	16 Å²	16	64.7 Å²	64.7	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-77.2	-20.6	175.6	-43.3	0	0	0	0	111.9	L242 Y249 F470 K471	C219-L242 HydrophobicContact CB-CD1 4.32Å; C219-Y249 HydrophobicContact CB-CE2 4.46Å; C219-F470 WeakPolarHBondContact SG-CE1 3.39Å; C219-K471 VanDerWaalsContact O-CD 3.32Å; C219-K471 WeakPolarHBondContact O-CD 2.95Å; C219-K471 WeakPolarHBondContact O-CE 3.33Å
220	K	56.5	Low	56.1	Low	49 Å²	49	61 Å²	61	21%	0.213	36%	0.357	C	S	.	.	S	Bend	trans	-101.5	129.4	174.2	-63.9	174	-169.7	171.1	0	108.7	S218 T222 Y249 S252	S218-K220 VanDerWaalsContact C-N 3.31Å; S218-K220 PolarHBondContact OG-N 3.29Å; S218-K220 PolarHBondContact OG-O 2.96Å; K220-T222 PolarHBondContact O-N 3.46Å; K220-Y249 PolarHBondContact NZ-O 2.67Å; K220-S252 PolarHBondContact NZ-OG 2.88Å
221	N	44.3	Very low	54.7	Low	50 Å²	50	61.9 Å²	61.9	27%	0.267	37%	0.368	S	S	.	.			trans	-66.5	108	174.7	-175.6	25.7	0	0	0	108.5	V223 S224 S225 T472	N221-V223 PolarHBondContact O-N 2.92Å; N221-V223 VanDerWaalsContact O-N 3.12Å; N221-S224 PolarHBondContact ND2-OG 3.27Å; N221-S224 VanDerWaalsContact ND2-OG 3.09Å; N221-S224 PolarHBondContact O-N 3.49Å; N221-S225 PolarHBondContact O-N 2.86Å; N221-T472 WeakPolarHBondContact OD1-CG2 3.38Å
222	T	42.1	Very low	53.1	Low	60 Å²	60	65.1 Å²	65.1	37%	0.368	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.2	-175.6	44.8	0	0	0	0	112.3	K220 S224	K220-T222 PolarHBondContact O-N 3.46Å; T222-S224 VanDerWaalsContact C-N 3.33Å; T222-S224 PolarHBondContact O-N 3.34Å
223	V	38.5	Very low	51.3	Low	55 Å²	55	64.7 Å²	64.7	33%	0.333	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-36.5	172.7	-176.9	0	0	0	0	112.9	T109 N221	T109-V223 WeakPolarHBondContact CB-O 3.14Å; T109-V223 WeakPolarHBondContact CG2-O 3.4Å; T109-V223 WeakPolarHBondContact OG1-CG1 3.38Å; T109-V223 PolarHBondContact OG1-O 3.06Å; N221-V223 PolarHBondContact O-N 2.92Å; N221-V223 VanDerWaalsContact O-N 3.12Å
224	S	34.4	Very low	49.9	Very low	50 Å²	50	66.8 Å²	66.8	35%	0.35	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-13	-169.8	-50.1	0	0	0	0	115.1	N221 T222 L226 A227	N221-S224 PolarHBondContact ND2-OG 3.27Å; N221-S224 VanDerWaalsContact ND2-OG 3.09Å; N221-S224 PolarHBondContact O-N 3.49Å; T222-S224 VanDerWaalsContact C-N 3.33Å; T222-S224 PolarHBondContact O-N 3.34Å; S224-L226 PolarHBondContact O-N 3.47Å; S224-A227 PolarHBondContact O-N 2.9Å
225	S	33.7	Very low	48.7	Very low	65 Å²	65	68.1 Å²	68.1	46%	0.455	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	6	-155.6	-161.6	0	0	0	0	117.1	N221	N221-S225 PolarHBondContact O-N 2.86Å
226	L	33.7	Very low	47.6	Very low	141 Å²	141	74.9 Å²	74.9	74%	0.738	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-6.2	173.1	-79.1	167.8	0	0	0	114	I111 S224	I111-L226 HydrophobicContact CD1-CD1 3.67Å; I111-L226 HydrophobicContact CG2-CD1 4.08Å; S224-L226 PolarHBondContact O-N 3.47Å
227	A	31.1	Very low	46.7	Very low	89 Å²	89	78.9 Å²	78.9	74%	0.736	47%	0.469	S	S	*	.	S	Bend	trans	-116.9	3.5	-170.3	0	0	0	0	0	115.2	S224	S224-A227 PolarHBondContact O-N 2.9Å
228	S	30.5	Very low	45.9	Very low	76 Å²	76	79.6 Å²	79.6	53%	0.531	47%	0.473	S	S	.	.			trans	-135.5	85.7	-174.4	66.6	0	0	0	0	113.9	V230	S228-V230 PolarHBondContact O-N 2.97Å; S228-V230 VanDerWaalsContact O-N 3.13Å
229	L	26.9	Very low	45.5	Very low	170 Å²	170	79.5 Å²	79.5	89%	0.89	47%	0.471	S	S	*	.			trans	-81	63.3	160.3	-87.3	72.6	0	0	0	109.8
230	V	31.2	Very low	45.7	Very low	118 Å²	118	84.8 Å²	84.8	72%	0.715	50%	0.496	S	S	*	.			trans	-131.5	114.1	173.6	-176.1	0	0	0	0	109.1	S228	S228-V230 PolarHBondContact O-N 2.97Å; S228-V230 VanDerWaalsContact O-N 3.13Å
231	P	34.3	Very low	46.3	Very low	105 Å²	105	85.1 Å²	85.1	68%	0.682	50%	0.497	S	S	*	.			trans	-77	126.9	171.2	31.2	-31.1	0	0	0	109.9
232	S	38.6	Very low	47.5	Very low	74 Å²	74	83 Å²	83	52%	0.517	49%	0.485	S	S	.	.			trans	-113.9	149.3	163	72.5	0	0	0	0	109.6	T234 K235	S232-T234 PolarHBondContact O-N 3.29Å; S232-T234 PolarHBondContact OG-OG1 3.22Å; S232-K235 VanDerWaalsContact O-CB 3.29Å; S232-K235 WeakPolarHBondContact O-CB 3.27Å; S232-K235 PolarHBondContact O-N 3.06Å
233	A	42.8	Very low	48.9	Very low	81 Å²	81	86.9 Å²	86.9	67%	0.669	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.1	-170.2	0	0	0	0	0	114.5	K235 E236	A233-K235 PolarHBondContact O-N 2.83Å; A233-E236 PolarHBondContact O-N 3.04Å
234	T	53.5	Low	50.4	Low	70 Å²	70	91.2 Å²	91.2	43%	0.429	51%	0.514	S	S	.	.	H	α-helix	trans	-52.2	-23.1	173.5	66.4	0	0	0	0	114.5	S232 E236 I238	S232-T234 PolarHBondContact O-N 3.29Å; S232-T234 PolarHBondContact OG-OG1 3.22Å; T234-E236 VanDerWaalsContact C-N 3.34Å; T234-I238 WeakPolarHBondContact O-CB 3.39Å; T234-I238 WeakPolarHBondContact O-CD1 3.4Å; T234-I238 WeakPolarHBondContact O-CG1 3.4Å; T234-I238 PolarHBondContact O-N 3.01Å; T234-I238 VanDerWaalsContact O-N 3.14Å
235	K	58.4	Low	51.9	Low	96 Å²	96	91 Å²	91	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-38.8	174.9	-178	179.1	171.6	-169.6	0	111.9	S232 A233 T239 Y249	S232-K235 VanDerWaalsContact O-CB 3.29Å; S232-K235 WeakPolarHBondContact O-CB 3.27Å; S232-K235 PolarHBondContact O-N 3.06Å; A233-K235 PolarHBondContact O-N 2.83Å; K235-T239 VanDerWaalsContact O-CB 3.28Å; K235-T239 WeakPolarHBondContact O-CB 3.49Å; K235-T239 PolarHBondContact O-N 3.04Å; K235-T239 PolarHBondContact O-OG1 2.91Å; K235-Y249 HydrophobicContact CD-CE1 4.09Å; K235-Y249 HydrophobicContact CG-CD1 4.1Å; K235-Y249 HydrophobicContact CG-CE1 3.72Å; K235-Y249 HydrophobicContact CG-CE2 4.48Å
236	E	63.8	Low	53.5	Low	144 Å²	144	89.4 Å²	89.4	67%	0.673	50%	0.5	S	S	*	.	H	α-helix	trans	-76.2	-43.5	-175.7	-67.5	177.8	166.6	0	0	111.3	A233 T234 I238 T239 M240	A233-E236 PolarHBondContact O-N 3.04Å; T234-E236 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 3.01Å; E236-T239 CarbonylContact O-C 3.49Å; E236-T239 WeakPolarHBondContact O-CA 3.39Å; E236-T239 WeakPolarHBondContact O-CB 3.5Å; E236-T239 PolarHBondContact O-N 3.38Å; E236-T239 VanDerWaalsContact O-N 3.07Å; E236-M240 PolarHBondContact O-N 3.23Å
237	E	65.6	Low	54.9	Low	119 Å²	119	83.2 Å²	83.2	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-61	-45.5	174.8	-171.5	-178.2	-159.2	0	0	112	T239 M240 K241	E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 3.38Å; E237-M240 PolarHBondContact O-N 2.78Å; E237-K241 PolarHBondContact O-N 3.36Å
238	I	65	Low	56.2	Low	17 Å²	17	80.7 Å²	80.7	9%	0.087	44%	0.444	C	S	.	.	H	α-helix	trans	-64.4	-35.3	173.1	-65.9	169.1	0	0	0	110.8	T234 E236 L242 Y249 I469	T234-I238 WeakPolarHBondContact O-CB 3.39Å; T234-I238 WeakPolarHBondContact O-CD1 3.4Å; T234-I238 WeakPolarHBondContact O-CG1 3.4Å; T234-I238 PolarHBondContact O-N 3.01Å; T234-I238 VanDerWaalsContact O-N 3.14Å; E236-I238 PolarHBondContact O-N 3.01Å; I238-L242 HydrophobicContact CG2-CD1 3.83Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 VanDerWaalsContact O-CB 3.29Å; I238-L242 WeakPolarHBondContact O-CB 3.47Å; I238-L242 WeakPolarHBondContact O-CD1 3.37Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.37Å; I238-Y249 HydrophobicContact CB-CE2 4.42Å; I238-Y249 HydrophobicContact CG2-CD2 4.08Å; I238-Y249 HydrophobicContact CG2-CE2 3.86Å; I238-I469 HydrophobicContact CG2-CG2 4.32Å
239	T	66.8	Low	57.1	Low	25 Å²	25	78.8 Å²	78.8	15%	0.153	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-38.4	173.6	-60.4	0	0	0	0	111.7	K235 E236 E237 K243 Y249	K235-T239 VanDerWaalsContact O-CB 3.28Å; K235-T239 WeakPolarHBondContact O-CB 3.49Å; K235-T239 PolarHBondContact O-N 3.04Å; K235-T239 PolarHBondContact O-OG1 2.91Å; E236-T239 CarbonylContact O-C 3.49Å; E236-T239 WeakPolarHBondContact O-CA 3.39Å; E236-T239 WeakPolarHBondContact O-CB 3.5Å; E236-T239 PolarHBondContact O-N 3.38Å; E236-T239 VanDerWaalsContact O-N 3.07Å; E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 3.38Å; T239-K243 HydrophobicContact CG2-CD 4.2Å; T239-K243 HydrophobicContact CG2-CG 4.46Å; T239-K243 WeakPolarHBondContact O-CB 2.89Å; T239-K243 VanDerWaalsContact O-CG 3.25Å; T239-K243 WeakPolarHBondContact O-CG 3.47Å; T239-K243 PolarHBondContact O-N 2.94Å; T239-Y249 WeakPolarHBondContact OG1-CB 3.22Å; T239-Y249 WeakPolarHBondContact OG1-CD2 3.46Å; T239-Y249 VanDerWaalsContact OG1-CG 3.26Å
240	M	67.2	Low	58	Low	127 Å²	127	76 Å²	76	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-69.8	-45.9	176.8	-74	-162.6	70.2	0	0	111.8	E236 E237 L242 K243 Q244	E236-M240 PolarHBondContact O-N 3.23Å; E237-M240 PolarHBondContact O-N 2.78Å; M240-L242 VanDerWaalsContact C-N 3.35Å; M240-L242 PolarHBondContact O-N 3.26Å; M240-K243 PolarHBondContact O-N 2.75Å; M240-K243 VanDerWaalsContact O-N 3.17Å; M240-Q244 WeakPolarHBondContact O-CG 3.43Å; M240-Q244 PolarHBondContact O-N 2.87Å
241	K	70	Confident	58.8	Low	56 Å²	56	72.2 Å²	72.2	24%	0.243	39%	0.392	C	S	.	.	H	α-helix	trans	-59	-44.6	173.4	-75.3	-179.1	169.8	171	0	111.4	E237 K243 Q244 F245 E468 I469	E237-K241 PolarHBondContact O-N 3.36Å; K241-K243 PolarHBondContact O-N 3.25Å; K241-Q244 WeakPolarHBondContact O-CB 3.38Å; K241-Q244 PolarHBondContact O-N 2.92Å; K241-F245 WeakPolarHBondContact O-CD2 3.35Å; K241-F245 PolarHBondContact O-N 2.94Å; K241-E468 IonicContact NZ-OE2 3.99Å; K241-E468 PolarHBondContact NZ-OE2 3.41Å; K241-I469 HydrophobicContact CB-CD1 3.72Å; K241-I469 HydrophobicContact CB-CG1 4.15Å; K241-I469 HydrophobicContact CD-CG1 4.44Å
242	L	69.7	Low	59.4	Low	4 Å²	4	71.4 Å²	71.4	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-39.5	173.8	-76.1	166.8	0	0	0	113.1	C219 I238 M240 Q244 F245 G246 F247 Y249 I255 I469 F470	C219-L242 HydrophobicContact CB-CD1 4.32Å; I238-L242 HydrophobicContact CG2-CD1 3.83Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 VanDerWaalsContact O-CB 3.29Å; I238-L242 WeakPolarHBondContact O-CB 3.47Å; I238-L242 WeakPolarHBondContact O-CD1 3.37Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.37Å; M240-L242 VanDerWaalsContact C-N 3.35Å; M240-L242 PolarHBondContact O-N 3.26Å; L242-Q244 VanDerWaalsContact C-N 3.35Å; L242-Q244 PolarHBondContact O-N 2.98Å; L242-F245 CarbonylContact O-C 3.58Å; L242-F245 WeakPolarHBondContact O-CA 3.37Å; L242-F245 PolarHBondContact O-N 2.91Å; L242-F245 VanDerWaalsContact O-N 3.1Å; L242-G246 PolarHBondContact O-N 2.75Å; L242-G246 VanDerWaalsContact O-N 3.11Å; L242-F247 CarbonylContact C-O 3.51Å; L242-F247 HydrophobicContact CB-CB 4.14Å; L242-F247 HydrophobicContact CD2-CB 4.09Å; L242-F247 HydrophobicContact CD2-CD2 4.26Å; L242-F247 PolarHBondContact O-N 2.92Å; L242-Y249 HydrophobicContact CD1-CD2 3.92Å; L242-I255 HydrophobicContact CD2-CD1 4.25Å; L242-I469 HydrophobicContact CD1-CG2 4.34Å; L242-I469 HydrophobicContact CD2-CG2 3.67Å; L242-I469 HydrophobicContact CG-CG2 3.88Å; L242-F470 HydrophobicContact CD2-CZ 4.31Å
243	K	71.6	Confident	60.2	Low	142 Å²	142	72.4 Å²	72.4	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-64.1	-35.8	175	-81.5	176.7	175.5	-175.7	0	112.7	T239 M240 K241 F245 G246 F247	T239-K243 HydrophobicContact CG2-CD 4.2Å; T239-K243 HydrophobicContact CG2-CG 4.46Å; T239-K243 WeakPolarHBondContact O-CB 2.89Å; T239-K243 VanDerWaalsContact O-CG 3.25Å; T239-K243 WeakPolarHBondContact O-CG 3.47Å; T239-K243 PolarHBondContact O-N 2.94Å; M240-K243 PolarHBondContact O-N 2.75Å; M240-K243 VanDerWaalsContact O-N 3.17Å; K241-K243 PolarHBondContact O-N 3.25Å; K243-F245 PolarHBondContact O-N 3.13Å; K243-G246 PolarHBondContact O-N 2.69Å; K243-F247 PolarHBondContact N-O 3.23Å
244	Q	69.7	Low	61	Low	146 Å²	146	71.3 Å²	71.3	68%	0.682	37%	0.367	S	S	*	.	H	α-helix	trans	-60.1	-33.7	172.3	-70.2	165.4	-18.8	0	0	111.6	M240 K241 L242	M240-Q244 WeakPolarHBondContact O-CG 3.43Å; M240-Q244 PolarHBondContact O-N 2.87Å; K241-Q244 WeakPolarHBondContact O-CB 3.38Å; K241-Q244 PolarHBondContact O-N 2.92Å; L242-Q244 VanDerWaalsContact C-N 3.35Å; L242-Q244 PolarHBondContact O-N 2.98Å
245	F	66.3	Low	62	Low	47 Å²	47	68.5 Å²	68.5	21%	0.206	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.5	172.3	-61.2	-64.1	0	0	0	114.2	K241 L242 K243 F247 T459 W460 I461 I469	K241-F245 WeakPolarHBondContact O-CD2 3.35Å; K241-F245 PolarHBondContact O-N 2.94Å; L242-F245 CarbonylContact O-C 3.58Å; L242-F245 WeakPolarHBondContact O-CA 3.37Å; L242-F245 PolarHBondContact O-N 2.91Å; L242-F245 VanDerWaalsContact O-N 3.1Å; K243-F245 PolarHBondContact O-N 3.13Å; F245-F247 HydrophobicContact CB-CD2 3.82Å; F245-F247 HydrophobicContact CB-CE2 4.03Å; F245-F247 WeakPolarHBondContact O-CD2 3.28Å; F245-T459 HydrophobicContact CB-CG2 3.82Å; F245-T459 HydrophobicContact CD1-CG2 4.18Å; F245-T459 HydrophobicContact CG-CG2 4.42Å; F245-T459 WeakPolarHBondContact O-CG2 3.14Å; F245-W460 WeakPolarHBondContact CE1-O 3.35Å; F245-I461 HydrophobicContact CD2-CD1 4.22Å; F245-I461 HydrophobicContact CE1-CB 4.32Å; F245-I461 HydrophobicContact CE1-CG1 4.33Å; F245-I461 HydrophobicContact CE2-CD1 3.75Å; F245-I461 HydrophobicContact CE2-CG1 4.01Å; F245-I461 HydrophobicContact CZ-CB 4.28Å; F245-I461 HydrophobicContact CZ-CD1 4.08Å; F245-I461 HydrophobicContact CZ-CG1 3.79Å; F245-I469 HydrophobicContact CD2-CD1 4.07Å; F245-I469 HydrophobicContact CE2-CD1 3.86Å
246	G	65.9	Low	63.1	Low	30 Å²	30	64.7 Å²	64.7	31%	0.309	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	20	177.1	0	0	0	0	0	115.9	L242 K243 I319	L242-G246 PolarHBondContact O-N 2.75Å; L242-G246 VanDerWaalsContact O-N 3.11Å; K243-G246 PolarHBondContact O-N 2.69Å; G246-I319 WeakPolarHBondContact O-CD1 3.17Å
247	F	65	Low	64.1	Low	11 Å²	11	58 Å²	58	5%	0.048	30%	0.304	C	S	.	.			trans	-108.6	145.5	177.7	-60.6	-72.1	0	0	0	112.6	L242 K243 F245 I255 L311 T313 Q316 T459	L242-F247 CarbonylContact C-O 3.51Å; L242-F247 HydrophobicContact CB-CB 4.14Å; L242-F247 HydrophobicContact CD2-CB 4.09Å; L242-F247 HydrophobicContact CD2-CD2 4.26Å; L242-F247 PolarHBondContact O-N 2.92Å; K243-F247 PolarHBondContact N-O 3.23Å; F245-F247 HydrophobicContact CB-CD2 3.82Å; F245-F247 HydrophobicContact CB-CE2 4.03Å; F245-F247 WeakPolarHBondContact O-CD2 3.28Å; F247-I255 HydrophobicContact CB-CD1 4.35Å; F247-I255 HydrophobicContact CD1-CD1 3.84Å; F247-I255 HydrophobicContact CD2-CD1 4.14Å; F247-I255 HydrophobicContact CE1-CD1 4.13Å; F247-I255 HydrophobicContact CE1-CG2 4.3Å; F247-I255 HydrophobicContact CE2-CD1 4.4Å; F247-I255 HydrophobicContact CG-CD1 3.85Å; F247-I255 HydrophobicContact CZ-CD1 4.4Å; F247-I255 HydrophobicContact CZ-CG2 4.09Å; F247-L311 HydrophobicContact CE2-CB 3.98Å; F247-L311 HydrophobicContact CE2-CD1 3.86Å; F247-L311 HydrophobicContact CZ-CB 3.84Å; F247-T313 HydrophobicContact CD1-CG2 4.22Å; F247-T313 HydrophobicContact CE1-CG2 3.79Å; F247-Q316 VanDerWaalsContact CE1-CD 3.48Å; F247-Q316 HydrophobicContact CE1-CG 4.44Å; F247-Q316 VanDerWaalsContact CE1-OE1 3.25Å; F247-T459 HydrophobicContact CE2-CG2 3.81Å; F247-T459 HydrophobicContact CZ-CG2 4.28Å
248	S	56.7	Low	64.9	Low	36 Å²	36	54.4 Å²	54.4	25%	0.252	29%	0.294	S	S	.	.			trans	-98.4	135	175.2	109.7	0	0	0	0	111.3	T250 D251	S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 3.05Å; S248-T250 PolarHBondContact OG-OG1 2.82Å; S248-D251 PolarHBondContact O-N 3.15Å; S248-D251 VanDerWaalsContact OG-CG 3.23Å; S248-D251 PolarHBondContact OG-N 2.81Å; S248-D251 PolarHBondContact OG-OD2 2.71Å
249	Y	50.2	Low	65.8	Low	36 Å²	36	56.8 Å²	56.8	14%	0.141	30%	0.304	C	S	.	.	S	Bend	trans	-74.9	-21	177.9	-167.5	-80.5	0	0	0	113	C219 K220 K235 I238 T239 L242 D251	C219-Y249 HydrophobicContact CB-CE2 4.46Å; K220-Y249 PolarHBondContact NZ-O 2.67Å; K235-Y249 HydrophobicContact CD-CE1 4.09Å; K235-Y249 HydrophobicContact CG-CD1 4.1Å; K235-Y249 HydrophobicContact CG-CE1 3.72Å; K235-Y249 HydrophobicContact CG-CE2 4.48Å; I238-Y249 HydrophobicContact CB-CE2 4.42Å; I238-Y249 HydrophobicContact CG2-CD2 4.08Å; I238-Y249 HydrophobicContact CG2-CE2 3.86Å; T239-Y249 WeakPolarHBondContact OG1-CB 3.22Å; T239-Y249 WeakPolarHBondContact OG1-CD2 3.46Å; T239-Y249 VanDerWaalsContact OG1-CG 3.26Å; L242-Y249 HydrophobicContact CD1-CD2 3.92Å; Y249-D251 PolarHBondContact O-N 2.87Å
250	T	46.4	Very low	66.8	Low	112 Å²	112	58.2 Å²	58.2	69%	0.687	31%	0.306	S	S	*	.	S	Bend	trans	-59.8	-35.3	171.4	24.1	0	0	0	0	111.5	S248 S252	S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 3.05Å; S248-T250 PolarHBondContact OG-OG1 2.82Å; T250-S252 PolarHBondContact O-N 2.81Å
251	D	46.9	Very low	67.7	Low	39 Å²	39	53.6 Å²	53.6	21%	0.209	28%	0.282	C	S	.	.			trans	-78	104.4	178.4	-69.9	-46.1	0	0	0	111.6	K70 S248 Y249 Y253	K70-D251 IonicContact NZ-OD1 2.96Å; K70-D251 PolarHBondContact NZ-OD1 3.12Å; S248-D251 PolarHBondContact O-N 3.15Å; S248-D251 VanDerWaalsContact OG-CG 3.23Å; S248-D251 PolarHBondContact OG-N 2.81Å; S248-D251 PolarHBondContact OG-OD2 2.71Å; Y249-D251 PolarHBondContact O-N 2.87Å; D251-Y253 HydrophobicContact CB-CD2 3.55Å; D251-Y253 HydrophobicContact CB-CE2 3.73Å; D251-Y253 HydrophobicContact CB-CG 4.35Å; D251-Y253 PolarHBondContact O-N 2.87Å; D251-Y253 VanDerWaalsContact OD1-CE2 3.24Å; D251-Y253 WeakPolarHBondContact OD1-CE2 3.42Å
252	S	47.1	Very low	68.4	Low	87 Å²	87	54 Å²	54	61%	0.608	29%	0.29	S	S	*	.			trans	-78.9	33.3	176.9	-52.1	0	0	0	0	112.7	K220 T250	K220-S252 PolarHBondContact NZ-OG 2.88Å; T250-S252 PolarHBondContact O-N 2.81Å
253	Y	55	Low	68.9	Low	96 Å²	96	56.5 Å²	56.5	38%	0.376	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-86.5	142	-177.6	-55.4	-44.1	0	0	0	111	K70 D251 I255 V315	K70-Y253 WeakPolarHBondContact CE-OH 3.26Å; D251-Y253 HydrophobicContact CB-CD2 3.55Å; D251-Y253 HydrophobicContact CB-CE2 3.73Å; D251-Y253 HydrophobicContact CB-CG 4.35Å; D251-Y253 PolarHBondContact O-N 2.87Å; D251-Y253 VanDerWaalsContact OD1-CE2 3.24Å; D251-Y253 WeakPolarHBondContact OD1-CE2 3.42Å; Y253-I255 PolarHBondContact O-N 2.82Å; Y253-V315 HydrophobicContact CD2-CB 4.45Å; Y253-V315 HydrophobicContact CD2-CG2 3.75Å; Y253-V315 HydrophobicContact CE2-CG1 4.3Å; Y253-V315 HydrophobicContact CE2-CG2 3.95Å; Y253-V315 HydrophobicContact CG-CG2 4.46Å
254	P	60.8	Low	68.9	Low	57 Å²	57	51.2 Å²	51.2	37%	0.37	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67.7	126.5	174.2	27.9	-33.5	0	0	0	110.6	F216	F216-P254 HydrophobicContact CB-CB 3.82Å; F216-P254 HydrophobicContact CD1-CB 3.69Å; F216-P254 HydrophobicContact CD1-CG 4.14Å; F216-P254 HydrophobicContact CE1-CB 4.42Å; F216-P254 HydrophobicContact CE1-CG 4.4Å; F216-P254 HydrophobicContact CG-CB 3.84Å; F216-P254 HydrophobicContact CG-CG 4.48Å
255	I	74.2	Confident	69.2	Low	12 Å²	12	48.4 Å²	48.4	6%	0.062	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.5	179.1	-59.3	-170.8	0	0	0	108.5	F216 A217 L242 F247 Y253 L311 T313 F470	F216-I255 CarbonylContact C-O 3.4Å; F216-I255 WeakPolarHBondContact CA-O 3.4Å; A217-I255 PolarHBondContact N-O 3.01Å; A217-I255 PolarHBondContact O-N 2.95Å; L242-I255 HydrophobicContact CD2-CD1 4.25Å; F247-I255 HydrophobicContact CB-CD1 4.35Å; F247-I255 HydrophobicContact CD1-CD1 3.84Å; F247-I255 HydrophobicContact CD2-CD1 4.14Å; F247-I255 HydrophobicContact CE1-CD1 4.13Å; F247-I255 HydrophobicContact CE1-CG2 4.3Å; F247-I255 HydrophobicContact CE2-CD1 4.4Å; F247-I255 HydrophobicContact CG-CD1 3.85Å; F247-I255 HydrophobicContact CZ-CD1 4.4Å; F247-I255 HydrophobicContact CZ-CG2 4.09Å; Y253-I255 PolarHBondContact O-N 2.82Å; I255-L311 HydrophobicContact CG2-CB 3.96Å; I255-L311 HydrophobicContact CG2-CD2 4.06Å; I255-L311 HydrophobicContact CG2-CG 4.41Å; I255-T313 HydrophobicContact CB-CG2 4.19Å; I255-T313 HydrophobicContact CG1-CG2 3.79Å; I255-T313 HydrophobicContact CG2-CG2 4.24Å; I255-F470 HydrophobicContact CB-CE1 4.08Å; I255-F470 HydrophobicContact CB-CZ 4.36Å; I255-F470 HydrophobicContact CD1-CE1 3.91Å; I255-F470 HydrophobicContact CD1-CZ 3.94Å; I255-F470 HydrophobicContact CG1-CE1 4.28Å; I255-F470 HydrophobicContact CG2-CZ 4.36Å
256	C	80.1	Confident	69.5	Low	15 Å²	15	52.8 Å²	52.8	10%	0.101	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.5	-179.1	-162	0	0	0	0	110.5	I215 F216 L311 W312	I215-C256 CarbonylContact O-C 3.59Å; I215-C256 WeakPolarHBondContact O-CA 3.06Å; I215-C256 PolarHBondContact O-SG 3.34Å; F216-C256 HydrophobicContact CD1-CB 4Å; F216-C256 HydrophobicContact CE1-CB 3.88Å; C256-L311 WeakPolarHBondContact O-CA 3.43Å; C256-W312 WeakPolarHBondContact CA-O 3.44Å; C256-W312 HydrophobicContact CB-CE3 3.93Å; C256-W312 VanDerWaalsContact CB-O 3.31Å; C256-W312 WeakPolarHBondContact CB-O 3.36Å; C256-W312 PolarHBondContact N-O 2.9Å; C256-W312 PolarHBondContact O-N 2.69Å
257	I	86.2	Confident	69.5	Low	5 Å²	5	53.9 Å²	53.9	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	165.7	-39.8	-179.5	0	0	0	107.5	L146 I215 A217 L309 L310 F466	L146-I257 HydrophobicContact CD1-CG2 3.73Å; L146-I257 HydrophobicContact CD2-CB 4.28Å; L146-I257 HydrophobicContact CD2-CG2 3.96Å; I215-I257 HydrophobicContact CB-CB 4.21Å; I215-I257 HydrophobicContact CB-CG1 4.49Å; I215-I257 HydrophobicContact CG2-CB 4.13Å; I215-I257 HydrophobicContact CG2-CD1 3.67Å; I215-I257 HydrophobicContact CG2-CG1 3.94Å; I215-I257 PolarHBondContact O-N 2.65Å; A217-I257 HydrophobicContact CB-CD1 4.27Å; A217-I257 HydrophobicContact CB-CG1 4.32Å; I257-L309 HydrophobicContact CD1-CD1 4.41Å; I257-L309 HydrophobicContact CG2-CB 4.02Å; I257-L309 HydrophobicContact CG2-CD1 4.28Å; I257-L309 HydrophobicContact CG2-CD2 4.15Å; I257-L309 HydrophobicContact CG2-CG 4.39Å; I257-L310 WeakPolarHBondContact CA-O 3.35Å; I257-F466 HydrophobicContact CD1-CE1 4.48Å; I257-F466 HydrophobicContact CD1-CE2 3.65Å; I257-F466 HydrophobicContact CD1-CZ 3.49Å; I257-F466 VanDerWaalsContact CD1-CZ 3.49Å; I257-F466 HydrophobicContact CG1-CE2 4.31Å
258	A	81.4	Confident	69.3	Low	43 Å²	43	58.5 Å²	58.5	36%	0.355	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-34.8	-168.6	0	0	0	0	0	114.6	L310	A258-L310 HydrophobicContact CB-CD2 4.18Å; A258-L310 HydrophobicContact CB-CG 4.3Å; A258-L310 PolarHBondContact N-O 3.2Å
259	K	84.3	Confident	69.5	Low	67 Å²	67	62 Å²	62	29%	0.291	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164.3	-176.6	-58.8	176.2	-165	162.1	0	110.5	L147 W149 L310 E458 W460	L147-K259 CarbonylContact O-C 3.59Å; L147-K259 WeakPolarHBondContact O-CA 3.2Å; W149-K259 HydrophobicContact CB-CD 4.2Å; W149-K259 HydrophobicContact CG-CD 4.39Å; K259-L310 HydrophobicContact CB-CB 4Å; K259-L310 HydrophobicContact CB-CD2 4.2Å; K259-L310 HydrophobicContact CD-CD2 3.74Å; K259-L310 HydrophobicContact CG-CD2 3.99Å; K259-L310 PolarHBondContact O-N 2.8Å; K259-E458 IonicContact NZ-OE1 2.89Å; K259-E458 PolarHBondContact NZ-OE1 3.18Å; K259-W460 HydrophobicContact CB-CH2 4.05Å
260	R	87.6	Confident	69.8	Low	54 Å²	54	66 Å²	66	20%	0.204	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153	162.7	67.9	176.6	-170.6	162.9	2	110.4	W139 S143 L146 L147 D148 W149 S308 L309	W139-R260 HydrophobicContact CH2-CB 3.89Å; W139-R260 HydrophobicContact CZ2-CB 4.45Å; W139-R260 HydrophobicContact CZ3-CB 4.48Å; S143-R260 PolarHBondContact OG-NH1 3.24Å; L146-R260 HydrophobicContact CB-CB 4.32Å; L146-R260 HydrophobicContact CB-CG 4.37Å; L146-R260 HydrophobicContact CD1-CB 4.45Å; L147-R260 PolarHBondContact O-N 2.77Å; D148-R260 VanDerWaalsContact CG-NH2 3.28Å; D148-R260 IonicContact OD1-CZ 2.71Å; D148-R260 IonicContact OD1-NE 2.7Å; D148-R260 PolarHBondContact OD1-NE 3.23Å; D148-R260 IonicContact OD1-NH2 3.08Å; D148-R260 PolarHBondContact OD1-NH2 3.47Å; D148-R260 IonicContact OD2-CZ 2.76Å; D148-R260 IonicContact OD2-NE 3.72Å; D148-R260 IonicContact OD2-NH2 3.45Å; D148-R260 PolarHBondContact OD2-NH2 2.86Å; W149-R260 WeakPolarHBondContact CB-O 3.37Å; W149-R260 PolarHBondContact N-O 2.99Å; R260-S308 CarbonylContact C-O 3.53Å; R260-S308 WeakPolarHBondContact CA-O 3.35Å; R260-L309 HydrophobicContact CB-CD2 4.2Å
261	R	86.7	Confident	70.3	Confident	30 Å²	30	68.6 Å²	68.6	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.8	175.4	174.6	-175	71.6	91.7	-0.1	110.3	W149 I263 S308 W460	W149-R261 HydrophobicContact CB-CB 4.14Å; W149-R261 HydrophobicContact CD2-CG 4.42Å; W149-R261 HydrophobicContact CE3-CG 3.84Å; W149-R261 HydrophobicContact CZ3-CG 4.33Å; R261-I263 VanDerWaalsContact CD-O 3.28Å; R261-I263 WeakPolarHBondContact CD-O 3.47Å; R261-I263 WeakPolarHBondContact CG-O 3.46Å; R261-I263 PolarHBondContact NH1-O 2.91Å; R261-S308 PolarHBondContact N-O 2.87Å; R261-S308 PolarHBondContact NE-OG 3.33Å; R261-S308 PolarHBondContact NH2-OG 2.83Å; R261-S308 PolarHBondContact O-N 2.84Å; R261-S308 VanDerWaalsContact O-N 3.11Å; R261-S308 PolarHBondContact O-OG 2.86Å; R261-W460 HydrophobicContact CB-CD2 4.41Å; R261-W460 HydrophobicContact CB-CE3 3.79Å; R261-W460 HydrophobicContact CB-CH2 3.49Å; R261-W460 VanDerWaalsContact CB-CH2 3.49Å; R261-W460 HydrophobicContact CB-CZ2 4.14Å; R261-W460 HydrophobicContact CB-CZ3 3.28Å
262	T	84.5	Confident	70.5	Confident	66 Å²	66	75.1 Å²	75.1	41%	0.405	42%	0.42	S	S	.	.			trans	-119.1	6	179.1	48.4	0	0	0	0	113.1	W139 I306	W139-T262 HydrophobicContact CZ2-CG2 3.94Å; T262-I306 WeakPolarHBondContact CA-O 3.49Å
263	I	81	Confident	70.8	Confident	55 Å²	55	76.6 Å²	76.6	28%	0.282	43%	0.428	S	S	.	.	S	Bend	trans	-126.1	142.7	-170.7	-53.3	175.8	0	0	0	109.2	R261	R261-I263 VanDerWaalsContact CD-O 3.28Å; R261-I263 WeakPolarHBondContact CD-O 3.47Å; R261-I263 WeakPolarHBondContact CG-O 3.46Å; R261-I263 PolarHBondContact NH1-O 2.91Å
264	P	71.1	Confident	71	Confident	32 Å²	32	76.6 Å²	76.6	21%	0.208	44%	0.438	C	S	.	.			trans	-57.5	135.6	173.7	-27.1	35.9	0	0	0	112.7	R151 I266 I306	R151-P264 PolarHBondContact NE-O 3.44Å; R151-P264 PolarHBondContact NH2-O 3.38Å; P264-I266 VanDerWaalsContact CB-O 3.3Å; P264-I266 WeakPolarHBondContact CB-O 3.35Å; P264-I306 HydrophobicContact CB-CD1 4.23Å; P264-I306 HydrophobicContact CG-CD1 3.72Å
265	I	75.7	Confident	70.5	Confident	86 Å²	86	76.8 Å²	76.8	44%	0.441	44%	0.439	S	S	.	.	S	Bend	trans	-61.5	-49.6	178.8	-65.5	172.7	0	0	0	109.9	W149 W460	W149-I265 HydrophobicContact CH2-CG1 4.47Å; I265-W460 HydrophobicContact CD1-CG 4.48Å
266	I	72.7	Confident	70.3	Confident	139 Å²	139	83.5 Å²	83.5	71%	0.713	47%	0.47	S	S	*	.	S	Bend	trans	-87.2	129.1	172.4	-54.8	175.1	0	0	0	107.3	P264	P264-I266 VanDerWaalsContact CB-O 3.3Å; P264-I266 WeakPolarHBondContact CB-O 3.35Å
267	P	66.1	Low	69.5	Low	53 Å²	53	91 Å²	91	34%	0.344	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66	141.9	171.8	28.2	-33.6	0	0	0	110.4	S269	P267-S269 PolarHBondContact O-N 2.87Å
268	P	60.9	Low	68.1	Low	109 Å²	109	97.2 Å²	97.2	71%	0.708	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-61.5	135.7	176.8	26.6	-34.2	0	0	0	110.1
269	S	60.4	Low	67.2	Low	110 Å²	110	101.1 Å²	101.1	77%	0.769	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-52.5	131.9	-176.7	-55.3	0	0	0	0	111.5	P267 I271	P267-S269 PolarHBondContact O-N 2.87Å; S269-I271 PolarHBondContact O-N 3.16Å
270	P	57.6	Low	65.7	Low	118 Å²	118	104.1 Å²	104.1	77%	0.766	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.5	178.5	25.2	-33.5	0	0	0	109.8	Q272	P270-Q272 PolarHBondContact O-N 2.87Å; P270-Q272 VanDerWaalsContact O-N 3.09Å
271	I	55.4	Low	64	Low	168 Å²	168	111.4 Å²	111.4	86%	0.862	58%	0.583	S	S	*	*			trans	-59.8	115.7	178.6	-57.6	172.8	0	0	0	107.7	S269	S269-I271 PolarHBondContact O-N 3.16Å
272	Q	52.7	Low	62.1	Low	175 Å²	175	115.4 Å²	115.4	82%	0.818	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63	132.4	177.7	-69.9	-168.3	-1.8	0	0	109.5	P270 T274	P270-Q272 PolarHBondContact O-N 2.87Å; P270-Q272 VanDerWaalsContact O-N 3.09Å; Q272-T274 PolarHBondContact O-N 3.24Å
273	P	53	Low	60.4	Low	119 Å²	119	122.7 Å²	122.7	77%	0.773	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62.7	129	-179.1	25.8	-33.8	0	0	0	109.8	P275	P273-P275 WeakPolarHBondContact O-CD 3.33Å; P273-P275 VanDerWaalsContact O-N 3.15Å
274	T	58.3	Low	58.8	Low	95 Å²	95	123.9 Å²	123.9	58%	0.583	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.2	117.2	176.3	26.2	0	0	0	0	109.4	Q272 Q276	Q272-T274 PolarHBondContact O-N 3.24Å; T274-Q276 PolarHBondContact O-N 3.47Å
275	P	51.5	Low	57.9	Low	62 Å²	62	128.4 Å²	128.4	40%	0.403	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-66.1	134.3	-173.6	26.6	-34.9	0	0	0	109.7	P273 W277 K278	P273-P275 WeakPolarHBondContact O-CD 3.33Å; P273-P275 VanDerWaalsContact O-N 3.15Å; P275-W277 PolarHBondContact O-N 3.4Å; P275-K278 HydrophobicContact CG-CD 4.36Å; P275-K278 HydrophobicContact CG-CG 4.39Å; P275-K278 WeakPolarHBondContact O-CB 3.33Å; P275-K278 PolarHBondContact O-N 2.88Å
276	Q	69	Low	56.6	Low	152 Å²	152	131.2 Å²	131.2	71%	0.71	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-53.8	-29.1	-163.8	-72.2	-174.5	-21.9	0	0	114.9	T274 K278 L279 I280	T274-Q276 PolarHBondContact O-N 3.47Å; Q276-K278 PolarHBondContact O-N 3.39Å; Q276-L279 WeakPolarHBondContact O-CB 3.27Å; Q276-L279 PolarHBondContact O-N 3.07Å; Q276-I280 WeakPolarHBondContact O-CD1 3.42Å; Q276-I280 WeakPolarHBondContact O-CG1 3.36Å
277	W	64.2	Low	55.4	Low	172 Å²	172	130.9 Å²	130.9	65%	0.652	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-59.7	-25.7	175.8	68.3	-100.7	0	0	0	113.9	P275 L279	P275-W277 PolarHBondContact O-N 3.4Å; W277-L279 VanDerWaalsContact C-N 3.28Å; W277-L279 PolarHBondContact O-N 3.24Å
278	K	56.7	Low	54.4	Low	136 Å²	136	132.7 Å²	132.7	59%	0.591	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-74.9	-12	173.2	-73.1	-168.5	173.4	-174	0	113.8	P275 Q276	P275-K278 HydrophobicContact CG-CD 4.36Å; P275-K278 HydrophobicContact CG-CG 4.39Å; P275-K278 WeakPolarHBondContact O-CB 3.33Å; P275-K278 PolarHBondContact O-N 2.88Å; Q276-K278 PolarHBondContact O-N 3.39Å
279	L	61	Low	53.4	Low	125 Å²	125	137.2 Å²	137.2	65%	0.654	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-95.6	-11.8	179.9	-57.2	175.1	0	0	0	113.4	Q276 W277	Q276-L279 WeakPolarHBondContact O-CB 3.27Å; Q276-L279 PolarHBondContact O-N 3.07Å; W277-L279 VanDerWaalsContact C-N 3.28Å; W277-L279 PolarHBondContact O-N 3.24Å
280	I	54.2	Low	52.2	Low	130 Å²	130	138.2 Å²	138.2	67%	0.667	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-20.3	-162.7	-66	167.5	0	0	0	113.4	Q276 P282	Q276-I280 WeakPolarHBondContact O-CD1 3.42Å; Q276-I280 WeakPolarHBondContact O-CG1 3.36Å; I280-P282 WeakPolarHBondContact O-CD 3.32Å
281	R	51.4	Low	51	Low	207 Å²	207	138.6 Å²	138.6	78%	0.781	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-94.9	117.6	-174.7	-160.9	-171.4	-63	-149	2.4	112
282	P	46	Very low	49.9	Very low	114 Å²	114	133.9 Å²	133.9	74%	0.74	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.6	140.1	165.6	28.6	-33.5	0	0	0	109.7	I280	I280-P282 WeakPolarHBondContact O-CD 3.32Å
283	R	48.6	Very low	48.9	Very low	219 Å²	219	131.4 Å²	131.4	83%	0.826	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-83.6	139.7	178.1	-60.9	-171.4	-169.5	-177.7	5.2	110.4
284	P	48.4	Very low	48	Very low	81 Å²	81	133.1 Å²	133.1	53%	0.526	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-62.4	156.1	166.5	-19.9	33	0	0	0	111.6	D286	P284-D286 PolarHBondContact O-N 2.88Å
285	P	51.4	Low	46.9	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-32.2	177.6	-22.5	34.5	0	0	0	113.7	F287	P285-F287 VanDerWaalsContact C-N 3.32Å; P285-F287 PolarHBondContact O-N 3.29Å
286	D	48.9	Very low	46.2	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	15.8	-166.6	-40	-63.2	0	0	0	113.8	P284	P284-D286 PolarHBondContact O-N 2.88Å
287	F	47.8	Very low	44.6	Very low	132 Å²	132	134.5 Å²	134.5	58%	0.579	69%	0.694	S	S	*	*			trans	-73.9	121.3	177.5	-156.5	-83.6	0	0	0	109.5	P285 F289	P285-F287 VanDerWaalsContact C-N 3.32Å; P285-F287 PolarHBondContact O-N 3.29Å; F287-F289 PolarHBondContact O-N 3.2Å
288	P	44.4	Very low	43.5	Very low	91 Å²	91	134.1 Å²	134.1	59%	0.591	70%	0.699	S	S	*	*			trans	-63.2	138.2	-173.8	25.5	-34.2	0	0	0	111.1	D290	P288-D290 PolarHBondContact O-N 3.43Å; P288-D290 VanDerWaalsContact O-N 3.09Å
289	F	39.9	Very low	42.6	Very low	204 Å²	204	131.5 Å²	131.5	90%	0.895	70%	0.698	S	S	*	*			trans	-71.7	98.6	165	-83	-96	0	0	0	108.4	F287 S291	F287-F289 PolarHBondContact O-N 3.2Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 2.98Å
290	D	36.4	Very low	41.7	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	71%	0.708	S	S	*	*			trans	-62.4	95.9	159.5	-95.2	-42.7	0	0	0	108.1	P288 S292	P288-D290 PolarHBondContact O-N 3.43Å; P288-D290 VanDerWaalsContact O-N 3.09Å; D290-S292 PolarHBondContact O-N 2.84Å
291	S	31.4	Very low	41.3	Very low	126 Å²	126	134.9 Å²	134.9	88%	0.881	71%	0.711	S	S	*	*			trans	-76.6	47.4	174.4	48.6	0	0	0	0	111.6	F289	F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 2.98Å
292	S	32.5	Very low	41.1	Very low	69 Å²	69	131.2 Å²	131.2	48%	0.483	70%	0.702	S	S	.	*	S	Bend	trans	-143	144.4	172.9	66.1	0	0	0	0	111.3	D290	D290-S292 PolarHBondContact O-N 2.84Å
293	N	31.6	Very low	41.4	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	71%	0.71	S	S	*	*	S	Bend	trans	73.7	18.9	170.5	-48.9	-30.5	0	0	0	119.1
294	D	34	Very low	41.8	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	70%	0.698	S	S	*	*			trans	-83.7	3.5	160.4	-110.5	-20.3	0	0	0	113.1
295	S	34.6	Very low	42.7	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	70%	0.702	S	S	*	*	S	Bend	trans	-69.8	-28.3	175.3	48.5	0	0	0	0	114
296	D	36.8	Very low	44	Very low	106 Å²	106	127.2 Å²	127.2	57%	0.567	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-98.2	-16.5	-157.6	-71.4	17.4	0	0	0	113.6	H298 S299	D296-H298 VanDerWaalsContact C-N 3.3Å; D296-H298 PolarHBondContact O-N 2.73Å; D296-S299 PolarHBondContact O-OG 3.37Å
297	L	36.1	Very low	45.8	Very low	147 Å²	147	123.7 Å²	123.7	77%	0.77	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-82	3	177.8	-96.5	79.1	0	0	0	114.7
298	H	40.3	Very low	47.7	Very low	164 Å²	164	117.6 Å²	117.6	76%	0.759	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-111.7	8.4	172.3	-85.7	9.9	0	0	0	114.4	D296 N300	D296-H298 VanDerWaalsContact C-N 3.3Å; D296-H298 PolarHBondContact O-N 2.73Å; H298-N300 PolarHBondContact O-N 3.32Å
299	S	38.1	Very low	49.8	Very low	82 Å²	82	113.3 Å²	113.3	57%	0.573	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-31.8	175.9	53.3	0	0	0	0	114.5	D296 K301	D296-S299 PolarHBondContact O-OG 3.37Å; S299-K301 PolarHBondContact O-N 3.38Å
300	N	42.2	Very low	52	Low	158 Å²	158	104.2 Å²	104.2	85%	0.845	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	33.7	-170	-73.2	-36.3	0	0	0	115.7	H298	H298-N300 PolarHBondContact O-N 3.32Å
301	K	45.7	Very low	54.3	Low	168 Å²	168	98.1 Å²	98.1	73%	0.73	52%	0.52	S	S	*	.	S	Bend	trans	-109.8	101.7	161.3	-80.2	-178.7	178	174.1	0	108.9	S299 K303	S299-K301 PolarHBondContact O-N 3.38Å; K301-K303 PolarHBondContact O-N 3.41Å; K301-K303 VanDerWaalsContact O-N 3.09Å
302	E	48.5	Very low	56.4	Low	129 Å²	129	96.5 Å²	96.5	60%	0.603	50%	0.495	S	S	*	.			trans	-56	114	173	-66.3	-174.4	140.3	0	0	109.4	E304	E302-E304 VanDerWaalsContact C-N 3.31Å; E302-E304 PolarHBondContact O-N 2.85Å
303	K	52	Low	58	Low	210 Å²	210	93.6 Å²	93.6	91%	0.913	47%	0.474	S	S	*	.	S	Bend	trans	-75.1	-16.1	-170.3	-73.7	-174.9	176.5	177.9	0	114.5	K301	K301-K303 PolarHBondContact O-N 3.41Å; K301-K303 VanDerWaalsContact O-N 3.09Å
304	E	57	Low	59.1	Low	123 Å²	123	90.5 Å²	90.5	58%	0.575	46%	0.461	S	S	*	.	S	Bend	trans	-132.6	145.2	173	-70.4	-172.4	135.7	0	0	109.5	E302 I306 K464	E302-E304 VanDerWaalsContact C-N 3.31Å; E302-E304 PolarHBondContact O-N 2.85Å; E304-I306 PolarHBondContact O-N 2.89Å; E304-K464 IonicContact OE1-NZ 3.46Å; E304-K464 PolarHBondContact OE1-NZ 2.95Å; E304-K464 IonicContact OE2-NZ 2.62Å; E304-K464 PolarHBondContact OE2-NZ 3.5Å
305	P	66.8	Low	59.9	Low	94 Å²	94	85.7 Å²	85.7	61%	0.61	44%	0.437	S	S	*	.			trans	-68.1	132.1	173.4	29	-33.9	0	0	0	110.3	R307	P305-R307 WeakPolarHBondContact O-CG 3.25Å; P305-R307 PolarHBondContact O-N 2.89Å
306	I	79.2	Confident	60.7	Low	29 Å²	29	82.1 Å²	82.1	15%	0.149	41%	0.411	C	S	.	.			trans	-56.9	129.8	178.7	-64.6	169.4	0	0	0	110.6	T262 P264 E304	T262-I306 WeakPolarHBondContact CA-O 3.49Å; P264-I306 HydrophobicContact CB-CD1 4.23Å; P264-I306 HydrophobicContact CG-CD1 3.72Å; E304-I306 PolarHBondContact O-N 2.89Å
307	R	86.5	Confident	60.9	Low	71 Å²	71	81.7 Å²	81.7	27%	0.268	41%	0.405	S	S	.	.			trans	-135.3	64.3	179.4	-68.9	176.2	-176	-167.6	-0.7	111.5	D136 W139 P305 I463	D136-R307 IonicContact OD1-CZ 2.63Å; D136-R307 IonicContact OD1-NH1 2.74Å; D136-R307 PolarHBondContact OD1-NH1 2.89Å; D136-R307 IonicContact OD1-NH2 3.31Å; D136-R307 PolarHBondContact OD1-NH2 2.83Å; W139-R307 HydrophobicContact CD2-CB 4.03Å; W139-R307 HydrophobicContact CD2-CG 4.14Å; W139-R307 HydrophobicContact CE3-CB 3.94Å; W139-R307 VanDerWaalsContact CH2-C 3.4Å; W139-R307 VanDerWaalsContact CH2-CA 3.43Å; W139-R307 HydrophobicContact CH2-CB 3.91Å; W139-R307 HydrophobicContact CH2-CG 4.47Å; W139-R307 HydrophobicContact CZ2-CB 4Å; W139-R307 HydrophobicContact CZ2-CG 4.06Å; W139-R307 HydrophobicContact CZ3-CB 3.86Å; W139-R307 VanDerWaalsContact CZ3-O 3.31Å; W139-R307 WeakPolarHBondContact CZ3-O 3.35Å; P305-R307 WeakPolarHBondContact O-CG 3.25Å; P305-R307 PolarHBondContact O-N 2.89Å; R307-I463 HydrophobicContact CB-CB 4.42Å; R307-I463 HydrophobicContact CB-CG2 3.63Å; R307-I463 WeakPolarHBondContact O-CB 3.1Å; R307-I463 PolarHBondContact O-N 2.81Å
308	S	86.7	Confident	61.1	Low	4 Å²	4	80.7 Å²	80.7	3%	0.028	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.3	-175.2	61.7	0	0	0	0	114.3	R260 R261 I461	R260-S308 CarbonylContact C-O 3.53Å; R260-S308 WeakPolarHBondContact CA-O 3.35Å; R261-S308 PolarHBondContact N-O 2.87Å; R261-S308 PolarHBondContact NE-OG 3.33Å; R261-S308 PolarHBondContact NH2-OG 2.83Å; R261-S308 PolarHBondContact O-N 2.84Å; R261-S308 VanDerWaalsContact O-N 3.11Å; R261-S308 PolarHBondContact O-OG 2.86Å; S308-I461 CarbonylContact C-O 3.55Å; S308-I461 WeakPolarHBondContact CA-O 3.47Å; S308-I461 WeakPolarHBondContact CB-O 3.44Å
309	L	88.5	Confident	61	Low	1 Å²	1	76.1 Å²	76.1	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.7	-178.8	-65.2	177.3	0	0	0	110.7	W139 L142 L146 I257 R260 W460 I461 I463 F466	W139-L309 HydrophobicContact CE3-CD2 4.45Å; W139-L309 HydrophobicContact CZ3-CD2 3.82Å; W139-L309 HydrophobicContact CZ3-CG 4.18Å; L142-L309 HydrophobicContact CD1-CD1 4.19Å; L146-L309 HydrophobicContact CD1-CD2 3.47Å; L146-L309 VanDerWaalsContact CD1-CD2 3.47Å; I257-L309 HydrophobicContact CD1-CD1 4.41Å; I257-L309 HydrophobicContact CG2-CB 4.02Å; I257-L309 HydrophobicContact CG2-CD1 4.28Å; I257-L309 HydrophobicContact CG2-CD2 4.15Å; I257-L309 HydrophobicContact CG2-CG 4.39Å; R260-L309 HydrophobicContact CB-CD2 4.2Å; L309-W460 WeakPolarHBondContact O-CA 3.33Å; L309-I461 HydrophobicContact CB-CG2 4.06Å; L309-I461 PolarHBondContact N-O 2.92Å; L309-I461 PolarHBondContact O-N 2.86Å; L309-I463 HydrophobicContact CD1-CD1 3.83Å; L309-F466 HydrophobicContact CD1-CB 4.46Å; L309-F466 HydrophobicContact CD1-CD1 4.16Å; L309-F466 HydrophobicContact CD1-CD2 3.9Å; L309-F466 HydrophobicContact CD1-CE1 4.44Å; L309-F466 HydrophobicContact CD1-CE2 4.19Å; L309-F466 HydrophobicContact CD1-CG 3.9Å; L309-F466 HydrophobicContact CD1-CZ 4.46Å
310	L	87.4	Confident	60.6	Low	13 Å²	13	77.2 Å²	77.2	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.6	173.9	179.4	57.5	0	0	0	110.1	I257 A258 K259 E458 W460	I257-L310 WeakPolarHBondContact CA-O 3.35Å; A258-L310 HydrophobicContact CB-CD2 4.18Å; A258-L310 HydrophobicContact CB-CG 4.3Å; A258-L310 PolarHBondContact N-O 3.2Å; K259-L310 HydrophobicContact CB-CB 4Å; K259-L310 HydrophobicContact CB-CD2 4.2Å; K259-L310 HydrophobicContact CD-CD2 3.74Å; K259-L310 HydrophobicContact CG-CD2 3.99Å; K259-L310 PolarHBondContact O-N 2.8Å; L310-E458 HydrophobicContact CD1-CB 3.71Å; L310-E458 HydrophobicContact CD1-CG 3.94Å; L310-E458 HydrophobicContact CD2-CG 4.31Å; L310-W460 HydrophobicContact CB-CD2 4.44Å; L310-W460 HydrophobicContact CB-CE3 4.13Å; L310-W460 HydrophobicContact CB-CH2 3.61Å; L310-W460 HydrophobicContact CB-CZ2 3.94Å; L310-W460 HydrophobicContact CB-CZ3 3.71Å; L310-W460 HydrophobicContact CD1-CZ2 4.3Å; L310-W460 HydrophobicContact CD2-CZ2 4.32Å; L310-W460 HydrophobicContact CG-CZ2 4.42Å; L310-W460 VanDerWaalsContact N-CZ3 3.31Å
311	L	83.8	Confident	60.1	Low	4 Å²	4	78.7 Å²	78.7	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.9	171.3	-57.7	-178.7	0	0	0	110.7	F247 I255 C256 T459 I461 F466 F470	F247-L311 HydrophobicContact CE2-CB 3.98Å; F247-L311 HydrophobicContact CE2-CD1 3.86Å; F247-L311 HydrophobicContact CZ-CB 3.84Å; I255-L311 HydrophobicContact CG2-CB 3.96Å; I255-L311 HydrophobicContact CG2-CD2 4.06Å; I255-L311 HydrophobicContact CG2-CG 4.41Å; C256-L311 WeakPolarHBondContact O-CA 3.43Å; L311-T459 HydrophobicContact CB-CG2 4.5Å; L311-T459 PolarHBondContact N-O 3.47Å; L311-I461 HydrophobicContact CD1-CB 4.11Å; L311-I461 HydrophobicContact CD1-CD1 4.28Å; L311-I461 HydrophobicContact CD1-CG2 3.78Å; L311-I461 HydrophobicContact CD2-CG2 4.08Å; L311-I461 HydrophobicContact CG-CB 4.48Å; L311-I461 HydrophobicContact CG-CG2 3.76Å; L311-F466 HydrophobicContact CD2-CD2 4.29Å; L311-F466 HydrophobicContact CD2-CE2 4.21Å; L311-F470 HydrophobicContact CD1-CE2 3.95Å; L311-F470 HydrophobicContact CD1-CZ 4.01Å; L311-F470 HydrophobicContact CD2-CE2 4.29Å; L311-F470 HydrophobicContact CD2-CZ 4.32Å
312	W	75.3	Confident	59.1	Low	93 Å²	93	78.5 Å²	78.5	35%	0.352	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.2	174.5	176.9	75	0	0	0	111.2	C256 P314	C256-W312 WeakPolarHBondContact CA-O 3.44Å; C256-W312 HydrophobicContact CB-CE3 3.93Å; C256-W312 VanDerWaalsContact CB-O 3.31Å; C256-W312 WeakPolarHBondContact CB-O 3.36Å; C256-W312 PolarHBondContact N-O 2.9Å; C256-W312 PolarHBondContact O-N 2.69Å; W312-P314 HydrophobicContact CH2-CB 3.98Å; W312-P314 HydrophobicContact CH2-CG 3.67Å; W312-P314 HydrophobicContact CZ2-CB 4.37Å; W312-P314 HydrophobicContact CZ2-CG 4.42Å; W312-P314 HydrophobicContact CZ3-CG 3.74Å
313	T	66.1	Low	58.2	Low	8 Å²	8	78.1 Å²	78.1	5%	0.049	38%	0.377	C	S	.	.			trans	-126.9	148.5	162.5	62.8	0	0	0	0	111.5	F247 I255 V315 Q316	F247-T313 HydrophobicContact CD1-CG2 4.22Å; F247-T313 HydrophobicContact CE1-CG2 3.79Å; I255-T313 HydrophobicContact CB-CG2 4.19Å; I255-T313 HydrophobicContact CG1-CG2 3.79Å; I255-T313 HydrophobicContact CG2-CG2 4.24Å; T313-V315 PolarHBondContact O-N 2.84Å; T313-Q316 WeakPolarHBondContact O-CB 3.24Å; T313-Q316 PolarHBondContact O-N 3.34Å; T313-Q316 VanDerWaalsContact O-N 3.13Å; T313-Q316 PolarHBondContact OG1-N 2.9Å
314	P	54.7	Low	57	Low	58 Å²	58	77 Å²	77	38%	0.377	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-8.3	170.7	-21.3	31.1	0	0	0	115.3	K77 W312	K77-P314 WeakPolarHBondContact CE-O 3.41Å; W312-P314 HydrophobicContact CH2-CB 3.98Å; W312-P314 HydrophobicContact CH2-CG 3.67Å; W312-P314 HydrophobicContact CZ2-CB 4.37Å; W312-P314 HydrophobicContact CZ2-CG 4.42Å; W312-P314 HydrophobicContact CZ3-CG 3.74Å
315	V	51.9	Low	55.6	Low	52 Å²	52	80 Å²	80	32%	0.315	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-20.1	-177.2	-171.5	0	0	0	0	111.4	Y253 T313 E317 H318	Y253-V315 HydrophobicContact CD2-CB 4.45Å; Y253-V315 HydrophobicContact CD2-CG2 3.75Å; Y253-V315 HydrophobicContact CE2-CG1 4.3Å; Y253-V315 HydrophobicContact CE2-CG2 3.95Å; Y253-V315 HydrophobicContact CG-CG2 4.46Å; T313-V315 PolarHBondContact O-N 2.84Å; V315-E317 PolarHBondContact O-N 3.33Å; V315-E317 VanDerWaalsContact O-N 3.13Å; V315-H318 PolarHBondContact O-N 2.88Å
316	Q	50.2	Low	53.7	Low	10 Å²	10	81.7 Å²	81.7	5%	0.047	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.2	-174.4	-141.1	165.6	-8.4	0	0	113.6	F247 T313 H318 I319 F320 T459	F247-Q316 VanDerWaalsContact CE1-CD 3.48Å; F247-Q316 HydrophobicContact CE1-CG 4.44Å; F247-Q316 VanDerWaalsContact CE1-OE1 3.25Å; T313-Q316 WeakPolarHBondContact O-CB 3.24Å; T313-Q316 PolarHBondContact O-N 3.34Å; T313-Q316 VanDerWaalsContact O-N 3.13Å; T313-Q316 PolarHBondContact OG1-N 2.9Å; Q316-H318 PolarHBondContact O-N 3.27Å; Q316-H318 VanDerWaalsContact O-N 3.15Å; Q316-I319 HydrophobicContact CG-CD1 4.47Å; Q316-I319 PolarHBondContact O-N 2.98Å; Q316-F320 HydrophobicContact CG-CE2 4.37Å; Q316-T459 PolarHBondContact NE2-OG1 3.35Å
317	E	42.7	Very low	51.1	Low	98 Å²	98	87.2 Å²	87.2	46%	0.458	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-55.8	-23.4	168.8	-68.2	170.6	-139.7	0	0	113.1	K77 V315	K77-E317 IonicContact NZ-OE1 2.73Å; K77-E317 PolarHBondContact NZ-OE1 3.36Å; K77-E317 IonicContact NZ-OE2 3.83Å; K77-E317 PolarHBondContact NZ-OE2 2.94Å; V315-E317 PolarHBondContact O-N 3.33Å; V315-E317 VanDerWaalsContact O-N 3.13Å
318	H	39.5	Very low	48.2	Very low	126 Å²	126	91.3 Å²	91.3	58%	0.583	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-95	-10.1	175.3	-74.4	-72.6	0	0	0	114.6	V315 Q316	V315-H318 PolarHBondContact O-N 2.88Å; Q316-H318 PolarHBondContact O-N 3.27Å; Q316-H318 VanDerWaalsContact O-N 3.15Å
319	I	38.2	Very low	45.3	Very low	68 Å²	68	95.8 Å²	95.8	35%	0.349	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-21	-178.7	-60.7	-178.2	0	0	0	111.5	G246 Q316 Y321	G246-I319 WeakPolarHBondContact O-CD1 3.17Å; Q316-I319 HydrophobicContact CG-CD1 4.47Å; Q316-I319 PolarHBondContact O-N 2.98Å; I319-Y321 PolarHBondContact O-N 2.86Å
320	F	30.4	Very low	42.6	Very low	104 Å²	104	101 Å²	101	46%	0.456	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	8.2	170.8	-67	-65.7	0	0	0	114.4	Q316 E322 K457	Q316-F320 HydrophobicContact CG-CE2 4.37Å; F320-E322 VanDerWaalsContact C-N 3.33Å; F320-E322 PolarHBondContact O-N 3.46Å; F320-K457 HydrophobicContact CD1-CD 4.47Å; F320-K457 HydrophobicContact CE1-CB 3.81Å; F320-K457 HydrophobicContact CE1-CD 3.62Å; F320-K457 HydrophobicContact CE1-CG 4.39Å; F320-K457 HydrophobicContact CE2-CB 3.87Å; F320-K457 HydrophobicContact CZ-CB 3.36Å; F320-K457 HydrophobicContact CZ-CD 4.01Å; F320-K457 HydrophobicContact CZ-CG 4.33Å
321	Y	30.3	Very low	39.7	Very low	189 Å²	189	106.3 Å²	106.3	74%	0.741	55%	0.55	S	S	*	.			trans	-90.9	69.1	155.4	-78.7	-83.3	0	0	0	109.7	I319	I319-Y321 PolarHBondContact O-N 2.86Å
322	E	24.6	Very low	37	Very low	165 Å²	165	112.5 Å²	112.5	77%	0.771	59%	0.588	S	S	*	*			trans	-60.6	135.6	144	-83.1	-164.4	123.5	0	0	106.7	F320 E324	F320-E322 VanDerWaalsContact C-N 3.33Å; F320-E322 PolarHBondContact O-N 3.46Å; E322-E324 PolarHBondContact O-N 3.23Å
323	P	29.9	Very low	34.9	Very low	120 Å²	120	112.6 Å²	112.6	78%	0.779	60%	0.603	S	S	*	*			trans	-64.9	111.8	167.2	27.8	-31.1	0	0	0	107.1	K325	P323-K325 PolarHBondContact O-N 2.89Å; P323-K325 VanDerWaalsContact O-N 3.14Å
324	E	27.1	Very low	33.1	Very low	188 Å²	188	117.7 Å²	117.7	88%	0.879	63%	0.634	S	S	*	*			trans	-52	126.1	175.4	-78	-169.5	127	0	0	108.9	E322	E322-E324 PolarHBondContact O-N 3.23Å
325	K	27.6	Very low	31.9	Very low	184 Å²	184	120.3 Å²	120.3	80%	0.8	65%	0.649	S	S	*	*			trans	-55	144.3	175.3	-69.7	173.5	180	171	0	108.3	P323 I327	P323-K325 PolarHBondContact O-N 2.89Å; P323-K325 VanDerWaalsContact O-N 3.14Å; K325-I327 VanDerWaalsContact C-N 3.26Å; K325-I327 PolarHBondContact O-N 3.32Å
326	V	26.5	Very low	30.8	Very low	131 Å²	131	125.8 Å²	125.8	79%	0.794	67%	0.671	S	S	*	*			trans	-63.7	91.9	168.6	179.4	0	0	0	0	108.1	L328	V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 HydrophobicContact CG1-CD1 4.18Å; V326-L328 HydrophobicContact CG1-CG 4.22Å; V326-L328 PolarHBondContact O-N 3.24Å; V326-L328 VanDerWaalsContact O-N 3.1Å
327	I	24.6	Very low	29.6	Very low	144 Å²	144	130.5 Å²	130.5	74%	0.738	71%	0.705	S	S	*	*			trans	-81.2	85.6	171.8	-59.4	176.6	0	0	0	106.9	K325	K325-I327 VanDerWaalsContact C-N 3.26Å; K325-I327 PolarHBondContact O-N 3.32Å
328	L	26.3	Very low	28.9	Very low	158 Å²	158	131.7 Å²	131.7	83%	0.827	72%	0.718	S	S	*	*			trans	-108.9	101	157.5	-80.2	172.4	0	0	0	107.8	V326	V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 HydrophobicContact CG1-CD1 4.18Å; V326-L328 HydrophobicContact CG1-CG 4.22Å; V326-L328 PolarHBondContact O-N 3.24Å; V326-L328 VanDerWaalsContact O-N 3.1Å
329	S	26.5	Very low	28.4	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	73%	0.729	S	S	*	*			trans	-152.7	151.8	171	58.7	0	0	0	0	110.1
330	P	30.8	Very low	27.9	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	75%	0.746	S	S	*	*			cis	-124.6	-175.7	-21.8	39.1	-24.8	0	0	0	111.6
331	P	27.6	Very low	27.6	Very low	125 Å²	125	137.8 Å²	137.8	81%	0.812	76%	0.759	S	S	*	*			trans	-119	130	135.9	33.8	-28.6	0	0	0	111.5
332	T	26	Very low	27.4	Very low	134 Å²	134	134 Å²	134	82%	0.822	76%	0.76	S	S	*	*			trans	-62.9	143.1	154.5	15.6	0	0	0	0	108.8
333	S	30.6	Very low	27.4	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	76%	0.759	S	S	*	*			cis	-152.5	-163.1	0.6	51.5	0	0	0	0	108.7
334	T	28.3	Very low	27.3	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	76%	0.763	S	S	*	*			cis	-165.7	169.7	21.1	-22	0	0	0	0	110.5
335	V	30.7	Very low	27.9	Very low	114 Å²	114	127.9 Å²	127.9	69%	0.691	76%	0.756	S	S	*	*			trans	65.4	102.9	159.6	-178.2	0	0	0	0	118.5
336	E	28.4	Very low	27.9	Very low	167 Å²	167	126.5 Å²	126.5	78%	0.78	76%	0.758	S	S	*	*			trans	52.6	89.1	130.1	-54.8	-178.6	140.8	0	0	122.8
337	S	25.5	Very low	28.1	Very low	109 Å²	109	127 Å²	127	76%	0.762	76%	0.761	S	S	*	*				76.2	158.1	113.3	79.7	0	0	0	0	123.8
338	V	27.9	Very low	28.3	Very low	122 Å²	122	123.5 Å²	123.5	74%	0.739	76%	0.761	S	S	*	*			trans	90.6	98	159.3	-178.8	0	0	0	0	120.6
339	Y	28.8	Very low	28.7	Very low	208 Å²	208	125.4 Å²	125.4	82%	0.816	76%	0.762	S	S	*	*			trans	68.4	114.5	137.3	-80.1	-116	0	0	0	124.5
340	V	27.1	Very low	29	Very low	116 Å²	116	128.4 Å²	128.4	70%	0.703	77%	0.766	S	S	*	*				77.5	111	122.2	175.8	0	0	0	0	122.3
341	S	24.8	Very low	28.9	Very low	103 Å²	103	129 Å²	129	72%	0.72	76%	0.763	S	S	*	*			trans	70.4	116.6	140.4	-65.8	0	0	0	0	125
342	S	25.5	Very low	29.1	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	76%	0.764	S	S	*	*				83.1	141.7	129.7	71.9	0	0	0	0	122.9
343	S	25.9	Very low	29.3	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	76%	0.758	S	S	*	*			trans	80.9	115.9	158.2	73.7	0	0	0	0	121.7
344	S	27.2	Very low	29.3	Very low	122 Å²	122	128.8 Å²	128.8	85%	0.853	77%	0.767	S	S	*	*				57.1	160.7	125.7	-65.7	0	0	0	0	123.7
345	P	39.5	Very low	29.2	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	77%	0.772	S	S	*	*			trans	-121.7	-155.4	-148.1	46.6	-35.1	0	0	0	116.1
346	D	26.6	Very low	29.2	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	78%	0.778	S	S	*	*			trans	92.3	139.7	179.2	-72.2	-16.5	0	0	0	115.6
347	T	30.9	Very low	29	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	77%	0.774	S	S	*	*			cis	-136.7	176.2	5.3	57.6	0	0	0	0	111
348	G	30.4	Very low	29.1	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	78%	0.78	S	S	*	*			trans	-178.2	4.1	174.9	0	0	0	0	0	127
349	K	33.2	Very low	29	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.857	78%	0.78	S	S	*	*			trans	56.6	130.6	165.6	-84.8	-178.4	179.4	174.4	0	122.5
350	Q	33	Very low	29	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.752	78%	0.78	S	S	*	*			trans	72.6	137.4	148.1	-65.8	-168.4	6	0	0	119
351	N	29.4	Very low	29	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	78%	0.777	S	S	*	*			cis	-148.8	157	2.2	-97.5	-27.6	0	0	0	112.5
352	S	31.7	Very low	29.2	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	78%	0.782	S	S	*	*			trans	37.3	117.8	155.9	58.1	0	0	0	0	121
353	G	31	Very low	29.5	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	78%	0.78	S	S	*	*			cis	164.6	156.1	-8.1	0	0	0	0	0	115.6
354	I	30.6	Very low	29.4	Very low	162 Å²	162	138 Å²	138	83%	0.831	78%	0.782	S	S	*	*			trans	56.3	86.6	150.1	-49.6	176.7	0	0	0	114.7
355	M	26.3	Very low	29.7	Very low	168 Å²	168	137.4 Å²	137.4	83%	0.828	78%	0.776	S	S	*	*				54	134.6	54.8	-63.5	-165.8	151.6	0	0	117
356	K	28.7	Very low	29.1	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	78%	0.777	S	S	*	*				139.9	142.7	128.3	-79.4	-171.7	-175.3	178.1	0	113.7
357	T	26	Very low	29.3	Very low	111 Å²	111	140.5 Å²	140.5	68%	0.681	78%	0.775	S	S	*	*			cis	-166	158.7	-24.1	11	0	0	0	0	110.3
358	R	27.2	Very low	29.4	Very low	237 Å²	237	144 Å²	144	89%	0.894	77%	0.773	S	S	*	*			trans	67	138	147.7	-82.1	-178.4	166.1	171.3	-4.6	120.9
359	S	26.4	Very low	29.6	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	77%	0.772	S	S	*	*			trans	-76.8	143.9	157.9	50.8	0	0	0	0	112.5
360	N	27.4	Very low	29.7	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	77%	0.771	S	S	*	*				-164.8	140.7	123.5	-126	3.3	0	0	0	114
361	S	26.7	Very low	29.6	Very low	93 Å²	93	149.4 Å²	149.4	65%	0.65	76%	0.764	S	S	*	*			trans	50.9	146.3	146	68.3	0	0	0	0	123.9
362	Q	30.6	Very low	29.5	Very low	175 Å²	175	149 Å²	149	82%	0.818	77%	0.771	S	S	*	*			trans	90	120.4	157.7	-54.9	-164.7	-8.8	0	0	120.4
363	T	30.3	Very low	29.3	Very low	121 Å²	121	148.7 Å²	148.7	74%	0.742	77%	0.769	S	S	*	*			trans	52.6	110.3	143.1	57.5	0	0	0	0	121.9
364	S	24.2	Very low	29.3	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	77%	0.772	S	S	*	*				6.3	152.6	119.4	-52.9	0	0	0	0	120
365	P	33.1	Very low	29.2	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	77%	0.773	S	S	*	*			cis	-141.9	-176.7	-14.3	33.9	-11.3	0	0	0	115.8
366	T	28.1	Very low	29.5	Very low	123 Å²	123	150 Å²	150	76%	0.755	77%	0.773	S	S	*	*			trans	57.7	103.9	152.5	33.1	0	0	0	0	122
367	R	30.7	Very low	29.7	Very low	210 Å²	210	146.7 Å²	146.7	79%	0.792	77%	0.771	S	S	*	*				56.7	92.6	113.3	-166.7	179.3	174.2	161.4	-0.7	119.7
368	R	32.3	Very low	29.6	Very low	215 Å²	215	146.6 Å²	146.6	81%	0.811	78%	0.775	S	S	*	*				76.8	122.3	129.3	-67.5	-176.5	-177.4	-178.9	1.5	121.9
369	R	34.8	Very low	29.9	Very low	192 Å²	192	141.4 Å²	141.4	73%	0.725	77%	0.772	S	S	*	*				84.8	97.7	124.1	-167.5	-179.9	172.5	170.4	-8.6	118.7	E371	R369-E371 IonicContact CZ-OE1 3.01Å; R369-E371 VanDerWaalsContact CZ-OE1 3.28Å; R369-E371 IonicContact CZ-OE2 2.66Å; R369-E371 IonicContact NE-OE1 2.75Å; R369-E371 PolarHBondContact NE-OE1 3.46Å; R369-E371 IonicContact NE-OE2 3.49Å; R369-E371 PolarHBondContact NE-OE2 2.84Å; R369-E371 VanDerWaalsContact NH2-CD 3.28Å; R369-E371 IonicContact NH2-OE1 2.99Å; R369-E371 PolarHBondContact NH2-OE1 2.84Å; R369-E371 IonicContact NH2-OE2 2.77Å; R369-E371 PolarHBondContact NH2-OE2 3Å
370	R	34.4	Very low	29.8	Very low	220 Å²	220	141.3 Å²	141.3	83%	0.83	77%	0.771	S	S	*	*				40.7	122	107.1	-154.1	-164	-136	177.2	4.8	116.3
371	E	31.1	Very low	30	Very low	130 Å²	130	143.5 Å²	143.5	61%	0.607	77%	0.773	S	S	*	*				173	141.9	117	-98.8	123.4	-120.2	0	0	112.8	R369	R369-E371 IonicContact CZ-OE1 3.01Å; R369-E371 VanDerWaalsContact CZ-OE1 3.28Å; R369-E371 IonicContact CZ-OE2 2.66Å; R369-E371 IonicContact NE-OE1 2.75Å; R369-E371 PolarHBondContact NE-OE1 3.46Å; R369-E371 IonicContact NE-OE2 3.49Å; R369-E371 PolarHBondContact NE-OE2 2.84Å; R369-E371 VanDerWaalsContact NH2-CD 3.28Å; R369-E371 IonicContact NH2-OE1 2.99Å; R369-E371 PolarHBondContact NH2-OE1 2.84Å; R369-E371 IonicContact NH2-OE2 2.77Å; R369-E371 PolarHBondContact NH2-OE2 3Å
372	S	28	Very low	29.9	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	78%	0.778	S	S	*	*			trans	-127.4	145.8	146.7	53.7	0	0	0	0	106.4
373	S	27.8	Very low	30	Very low	111 Å²	111	145 Å²	145	78%	0.776	78%	0.779	S	S	*	*			cis	-143.1	134.8	8.1	44.8	0	0	0	0	112.8
374	S	30.7	Very low	30	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	77%	0.774	S	S	*	*	S	Bend	trans	-179.9	138.7	132.5	34.5	0	0	0	0	112.3
375	N	29.4	Very low	30.3	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	78%	0.779	S	S	*	*			trans	63.7	106	159.3	-59.7	-6.6	0	0	0	121.2
376	N	31.3	Very low	30.1	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	78%	0.779	S	S	*	*			trans	-58.1	-178.7	157.6	-53.5	-42.1	0	0	0	113.3
377	P	32.5	Very low	30	Very low	119 Å²	119	149.9 Å²	149.9	77%	0.773	78%	0.781	S	S	*	*			cis	-134.9	-170.4	-46.3	35.8	-17.3	0	0	0	113.2
378	S	24.4	Very low	30	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	78%	0.781	S	S	*	*			trans	-59.4	173	163.2	-43.5	0	0	0	0	113.7
379	P	33.9	Very low	29.8	Very low	128 Å²	128	145.3 Å²	145.3	83%	0.831	77%	0.769	S	S	*	*			cis	-139.2	-154.8	10.7	44.5	-24.3	0	0	0	115.2
380	S	24.2	Very low	29.5	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	77%	0.768	S	S	*	*			trans	-87.8	150.2	-171.2	53	0	0	0	0	116.3
381	K	30.6	Very low	29.3	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.857	76%	0.761	S	S	*	*				-172.8	137.6	125	-104.4	161.3	-178.9	174	0	115.9
382	T	25.9	Very low	29.2	Very low	121 Å²	121	138.9 Å²	138.9	74%	0.742	77%	0.768	S	S	*	*			trans	-14	134.8	157.7	52.6	0	0	0	0	120.8
383	Q	32.8	Very low	29.3	Very low	180 Å²	180	142.9 Å²	142.9	84%	0.841	77%	0.771	S	S	*	*				169.4	162.6	121.9	-90.3	-170.5	65.2	0	0	110.4
384	K	30.2	Very low	29.4	Very low	149 Å²	149	145.9 Å²	145.9	65%	0.648	77%	0.77	S	S	*	*			cis	-174.7	112.2	-31.3	176.1	-179.8	-178.6	-176.1	0	110.9
385	R	29.6	Very low	29.3	Very low	235 Å²	235	146.1 Å²	146.1	89%	0.887	76%	0.759	S	S	*	*			trans	65.3	159.2	176.4	-56.4	169.3	173.7	172.8	-6.1	115.1
386	G	28.8	Very low	29.3	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	75%	0.753	S	S	*	*			cis	157.3	122.3	-19.4	0	0	0	0	0	116.8
387	S	27.3	Very low	29.2	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	75%	0.746	S	S	*	*			trans	81.9	141	160.7	-145.1	0	0	0	0	120.3
388	R	30.2	Very low	29.1	Very low	206 Å²	206	144.3 Å²	144.3	78%	0.777	75%	0.747	S	S	*	*			trans	59.7	152	168.6	-58.9	-167	89.4	153.6	6.6	117.1
389	E	27.8	Very low	29.1	Very low	123 Å²	123	144.8 Å²	144.8	58%	0.575	75%	0.751	S	S	*	*			cis	-164.7	161	-31.9	-117.2	155.3	-140	0	0	107.1
390	D	29	Very low	28.8	Very low	130 Å²	130	141.9 Å²	141.9	70%	0.695	74%	0.744	S	S	*	*			trans	60.1	152.4	149.3	-71	10.7	0	0	0	123
391	I	30.7	Very low	29.2	Very low	135 Å²	135	144.6 Å²	144.6	69%	0.692	75%	0.749	S	S	*	*			cis	-170.1	160.5	-29.7	-140.6	170.7	0	0	0	110.8
392	L	28.7	Very low	29	Very low	143 Å²	143	140.5 Å²	140.5	75%	0.749	74%	0.74	S	S	*	*			trans	55.5	127	158.1	-70.8	171.9	0	0	0	123.9
393	K	29.3	Very low	29	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	74%	0.742	S	S	*	*				174.3	133.3	105.7	-89.3	160	-171.1	173.1	0	106.9
394	K	29.4	Very low	28.7	Very low	173 Å²	173	142.6 Å²	142.6	75%	0.752	74%	0.743	S	S	*	*	S	Bend	cis	-147.1	168.5	33.4	-75.9	174.9	154.2	-133.5	0	109.6
395	E	29.2	Very low	28.5	Very low	117 Å²	117	140.6 Å²	140.6	55%	0.547	75%	0.748	S	S	.	*			cis	-153.4	143	-4	-123.3	172.5	-112.8	0	0	110.5
396	K	29.4	Very low	28.4	Very low	166 Å²	166	137.2 Å²	137.2	72%	0.722	74%	0.739	S	S	*	*			trans	53.7	122.9	159.1	-63.2	158.8	-176.8	150.2	0	119.9
397	S	29.1	Very low	28.2	Very low	98 Å²	98	141 Å²	141	69%	0.685	74%	0.739	S	S	*	*			cis	86.5	135.9	31.7	82.9	0	0	0	0	114.9
398	T	29.8	Very low	28.2	Very low	132 Å²	132	141.1 Å²	141.1	81%	0.81	73%	0.734	S	S	*	*			cis	-166.2	175.6	-2.8	8.3	0	0	0	0	111.8
399	S	25.7	Very low	28	Very low	118 Å²	118	141 Å²	141	83%	0.825	74%	0.739	S	S	*	*			trans	-61.5	169.2	166.7	43.6	0	0	0	0	114.8
400	G	27.6	Very low	28.1	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	75%	0.746	S	S	*	*			cis	161.1	-163	-2.5	0	0	0	0	0	112.9
401	I	31.7	Very low	28.1	Very low	161 Å²	161	140.7 Å²	140.7	83%	0.826	75%	0.752	S	S	*	*			trans	88.4	115.3	163.6	-57	176.4	0	0	0	119.6
402	T	26.2	Very low	27.9	Very low	110 Å²	110	141.4 Å²	141.4	68%	0.675	76%	0.757	S	S	*	*			trans	16	151.5	150.7	65.2	0	0	0	0	123.3
403	N	26.1	Very low	28	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	77%	0.765	S	S	*	*			cis	-170	163.9	-2	-107.3	-12.8	0	0	0	112.7
404	K	26.6	Very low	28.1	Very low	198 Å²	198	141.1 Å²	141.1	86%	0.861	76%	0.761	S	S	*	*			trans	99.4	132.5	161.7	-68.2	-171.3	175.4	179.6	0	120.8
405	S	27	Very low	28.4	Very low	106 Å²	106	138 Å²	138	74%	0.741	76%	0.758	S	S	*	*			trans	64.7	116.9	143.1	56.6	0	0	0	0	124.2
406	K	26.5	Very low	28.3	Very low	164 Å²	164	140.8 Å²	140.8	71%	0.713	77%	0.771	S	S	*	*			trans	68.2	137.8	132.4	-82.5	-178.8	152.6	-123.7	0	122.5
407	E	25.1	Very low	28.5	Very low	151 Å²	151	139.1 Å²	139.1	71%	0.706	78%	0.775	S	S	*	*			trans	67.3	156.7	142.8	-72.4	157.2	175.7	0	0	119.3
408	V	26.5	Very low	28.7	Very low	117 Å²	117	139.6 Å²	139.6	71%	0.709	78%	0.779	S	S	*	*			cis	-165.2	151.9	-43	98.8	0	0	0	0	111.1
409	K	25.8	Very low	28.7	Very low	205 Å²	205	135.9 Å²	135.9	89%	0.891	77%	0.766	S	S	*	*			trans	65.8	160.8	167.4	-72.9	166.7	-176	175.7	0	119.2
410	G	31	Very low	28.8	Very low	69 Å²	69	135.8 Å²	135.8	71%	0.711	77%	0.765	S	S	*	*			trans	119.3	48.6	168.8	0	0	0	0	0	116.6
411	Q	29.7	Very low	28.9	Very low	177 Å²	177	137.7 Å²	137.7	83%	0.827	77%	0.769	S	S	*	*				50.7	100.2	98.5	-88.4	-173	-31	0	0	118.1
412	N	25.6	Very low	28.8	Very low	150 Å²	150	138.2 Å²	138.2	80%	0.802	77%	0.767	S	S	*	*			trans	35.8	128.9	131.6	-52.5	5.6	0	0	0	121.4
413	K	31.2	Very low	29	Very low	211 Å²	211	139.3 Å²	139.3	92%	0.917	77%	0.769	S	S	*	*				-167.1	150.6	111.3	-104.7	168.6	-175.9	-176.4	0	113
414	T	30.6	Very low	28.9	Very low	126 Å²	126	139 Å²	139	77%	0.773	77%	0.767	S	S	*	*			trans	-120.5	156.8	173.8	48.5	0	0	0	0	110.2
415	P	35	Very low	28.8	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	77%	0.767	S	S	*	*			trans	-107.3	134.5	140.1	-6.9	27.9	0	0	0	110
416	E	28.8	Very low	28.9	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	77%	0.77	S	S	*	*				78.2	138.2	85.7	-69.7	166.6	-140.3	0	0	113
417	T	33.8	Very low	28.8	Very low	132 Å²	132	133.7 Å²	133.7	81%	0.81	78%	0.775	S	S	*	*			cis	-162.6	158.3	0.1	-104	0	0	0	0	107.3
418	S	32	Very low	28.8	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	78%	0.783	S	S	*	*			cis	-123.1	-163.6	13.9	77.4	0	0	0	0	111.1
419	G	30.8	Very low	28.7	Very low	54 Å²	54	137.4 Å²	137.4	56%	0.557	78%	0.783	S	S	*	*			cis	116.8	105.5	-3.7	0	0	0	0	0	112.7
420	S	27.8	Very low	28.6	Very low	115 Å²	115	133.2 Å²	133.2	80%	0.804	78%	0.775	S	S	*	*			cis	90.5	167.3	14.1	104.7	0	0	0	0	117.1
421	S	29.1	Very low	28.4	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	78%	0.778	S	S	*	*			trans	81.8	150.1	-174.7	81.2	0	0	0	0	115.5
422	Q	29.8	Very low	28.2	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	77%	0.773	S	S	*	*			cis	-142.9	-173.8	-1.1	-128.2	166.1	36.3	0	0	107.8
423	L	29.9	Very low	28.2	Very low	134 Å²	134	133.2 Å²	133.2	70%	0.702	77%	0.771	S	S	*	*			cis	-150.2	-176.5	12.6	-133.7	-177.4	0	0	0	110.6
424	N	24.9	Very low	28	Very low	142 Å²	142	130.3 Å²	130.3	76%	0.759	76%	0.761	S	S	*	*			trans	-105.8	178.1	176.2	-60.7	-30.8	0	0	0	110.1
425	S	24.7	Very low	27.8	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	76%	0.76	S	S	*	*			cis	-152.5	-172.3	26.3	-62	0	0	0	0	112.9
426	S	28.3	Very low	27.6	Very low	116 Å²	116	136 Å²	136	81%	0.811	77%	0.768	S	S	*	*			trans	-95.5	155	-172.5	-45.5	0	0	0	0	116.7
427	S	25	Very low	27.4	Very low	118 Å²	118	133 Å²	133	83%	0.825	77%	0.766	S	S	*	*			trans	114.3	119.6	142	79.4	0	0	0	0	121.2
428	R	25.7	Very low	27.1	Very low	230 Å²	230	132.3 Å²	132.3	87%	0.868	77%	0.767	S	S	*	*			trans	61.2	132.7	144.6	-93.4	-175.7	172.1	169.6	-2.5	124.5
429	T	24.4	Very low	27.1	Very low	116 Å²	116	130.6 Å²	130.6	71%	0.712	77%	0.767	S	S	*	*			trans	90.4	121.3	138.7	36.6	0	0	0	0	124
430	T	22.7	Very low	26.8	Very low	116 Å²	116	136.4 Å²	136.4	71%	0.712	78%	0.779	S	S	*	*			trans	86.6	128.8	137.4	45.5	0	0	0	0	124
431	N	27	Very low	26.8	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	78%	0.782	S	S	*	*			trans	78.2	96.3	143.3	-61.1	-1.9	0	0	0	122.1
432	S	24.5	Very low	26.8	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	78%	0.777	S	S	*	*				40.6	119.8	119.7	-160.6	0	0	0	0	120.7
433	L	26.5	Very low	26.6	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	77%	0.768	S	S	*	*				176.9	151.8	104.2	-89.3	175.9	0	0	0	112.8
434	H	27	Very low	26.4	Very low	151 Å²	151	136.3 Å²	136.3	70%	0.699	77%	0.77	S	S	*	*			trans	45	126.9	157.4	-79.9	-77	0	0	0	124.1
435	M	27.3	Very low	26.4	Very low	152 Å²	152	136.3 Å²	136.3	75%	0.749	77%	0.765	S	S	*	*			trans	70.3	85.3	130.6	-63.7	-71	150.3	0	0	120.4
436	K	29.8	Very low	26.3	Very low	200 Å²	200	137.9 Å²	137.9	87%	0.87	76%	0.762	S	S	*	*				-173.1	96.5	85.9	-97.3	177.7	178.5	179.2	0	112.6
437	S	24.6	Very low	26.2	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	74%	0.744	S	S	*	*			trans	-70.3	171.3	150.5	55.2	0	0	0	0	109.4
438	S	28.5	Very low	26.4	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	75%	0.748	S	S	*	*			cis	-157.1	159.9	19.4	45.5	0	0	0	0	109.6
439	G	30.5	Very low	26.3	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	74%	0.74	S	S	*	*			cis	-176	156	-3.3	0	0	0	0	0	110.5
440	E	24.7	Very low	26.5	Very low	176 Å²	176	133.7 Å²	133.7	82%	0.822	74%	0.735	S	S	*	*			trans	-97.3	129.5	170.6	-63.6	175.3	125.1	0	0	108.7	I442	E440-I442 WeakPolarHBondContact O-CD1 3.19Å; E440-I442 WeakPolarHBondContact O-CG1 3.43Å
441	D	28.1	Very low	26.7	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	74%	0.738	S	S	*	*			trans	-95.3	114.7	152.9	-73.3	-47.3	0	0	0	105.7
442	I	28.9	Very low	26.7	Very low	128 Å²	128	132.3 Å²	132.3	66%	0.656	73%	0.729	S	S	*	*				58.1	89.7	53.1	-51.2	174.8	0	0	0	107.9	E440	E440-I442 WeakPolarHBondContact O-CD1 3.19Å; E440-I442 WeakPolarHBondContact O-CG1 3.43Å
443	M	26.4	Very low	27.2	Very low	122 Å²	122	132.5 Å²	132.5	60%	0.601	73%	0.725	S	S	*	*				57.2	127.5	88.9	-58.9	-83.9	95.3	0	0	111.4	E445	M443-E445 HydrophobicContact CE-CB 4.25Å; M443-E445 HydrophobicContact CE-CG 3.87Å; M443-E445 HydrophobicContact SD-CB 3.6Å; M443-E445 VanDerWaalsContact SD-CB 3.6Å; M443-E445 HydrophobicContact SD-CG 3.6Å; M443-E445 VanDerWaalsContact SD-CG 3.6Å; M443-E445 PolarHBondContact SD-N 3.2Å
444	P	25	Very low	27.5	Very low	115 Å²	115	131.3 Å²	131.3	75%	0.747	72%	0.724	S	S	*	*				-99.9	119.9	55.9	30.6	-35.2	0	0	0	114.7	I446	P444-I446 PolarHBondContact O-N 3.33Å
445	E	24.2	Very low	28	Very low	141 Å²	141	130.5 Å²	130.5	66%	0.659	73%	0.725	S	S	*	*				-46.2	119.3	114.1	-91.1	173.3	-170.4	0	0	106	M443 P447	M443-E445 HydrophobicContact CE-CB 4.25Å; M443-E445 HydrophobicContact CE-CG 3.87Å; M443-E445 HydrophobicContact SD-CB 3.6Å; M443-E445 VanDerWaalsContact SD-CB 3.6Å; M443-E445 HydrophobicContact SD-CG 3.6Å; M443-E445 VanDerWaalsContact SD-CG 3.6Å; M443-E445 PolarHBondContact SD-N 3.2Å; E445-P447 VanDerWaalsContact C-N 3.27Å; E445-P447 WeakPolarHBondContact O-CD 3.44Å
446	I	24	Very low	29	Very low	155 Å²	155	126.8 Å²	126.8	80%	0.795	71%	0.712	S	S	*	*			trans	-58.4	107.2	156.5	-64.8	171.4	0	0	0	102.7	P444	P444-I446 PolarHBondContact O-N 3.33Å
447	P	24.8	Very low	30.2	Very low	66 Å²	66	124.4 Å²	124.4	43%	0.429	70%	0.702	S	S	.	*			trans	-64.3	158.2	-172.5	29.6	-35.5	0	0	0	106.4	E445 K449	E445-P447 VanDerWaalsContact C-N 3.27Å; E445-P447 WeakPolarHBondContact O-CD 3.44Å; P447-K449 HydrophobicContact CG-CB 4.06Å; P447-K449 HydrophobicContact CG-CD 4.23Å; P447-K449 HydrophobicContact CG-CG 3.85Å; P447-K449 PolarHBondContact O-N 2.96Å
448	I	29.3	Very low	32.4	Very low	175 Å²	175	122.1 Å²	122.1	90%	0.897	68%	0.679	S	S	*	*			trans	-72	61.6	147.8	-46.6	-179.1	0	0	0	107.4	S450	I448-S450 VanDerWaalsContact C-N 3.35Å; I448-S450 PolarHBondContact O-N 3.22Å; I448-S450 VanDerWaalsContact O-N 3.13Å
449	K	24.6	Very low	34.7	Very low	165 Å²	165	117.4 Å²	117.4	72%	0.717	65%	0.645	S	S	*	*				-37.7	118.2	125.7	-98	175.7	179.2	175.6	0	103.5	P447 I451	P447-K449 HydrophobicContact CG-CB 4.06Å; P447-K449 HydrophobicContact CG-CD 4.23Å; P447-K449 HydrophobicContact CG-CG 3.85Å; P447-K449 PolarHBondContact O-N 2.96Å; K449-I451 PolarHBondContact O-N 3.24Å
450	S	27.2	Very low	37.3	Very low	87 Å²	87	115.6 Å²	115.6	61%	0.608	62%	0.616	S	S	*	*			trans	-34.7	121.8	155.3	49	0	0	0	0	107.4	I448 S452	I448-S450 VanDerWaalsContact C-N 3.35Å; I448-S450 PolarHBondContact O-N 3.22Å; I448-S450 VanDerWaalsContact O-N 3.13Å; S450-S452 PolarHBondContact O-N 3.06Å
451	I	27.9	Very low	40.2	Very low	149 Å²	149	107.3 Å²	107.3	76%	0.764	58%	0.577	S	S	*	*			trans	-61.8	89.2	151.1	-62.8	177.3	0	0	0	102.7	K449 V453	K449-I451 PolarHBondContact O-N 3.24Å; I451-V453 HydrophobicContact CG2-CG2 4.41Å; I451-V453 PolarHBondContact O-N 2.9Å
452	S	27.2	Very low	43	Very low	85 Å²	85	101.8 Å²	101.8	59%	0.594	55%	0.547	S	S	*	.			trans	-55.3	91.5	154.2	48.9	0	0	0	0	102.8	S450 T454	S450-S452 PolarHBondContact O-N 3.06Å; S452-T454 VanDerWaalsContact C-N 3.33Å; S452-T454 WeakPolarHBondContact O-CA 3.31Å; S452-T454 PolarHBondContact O-N 2.91Å
453	V	34.7	Very low	45.9	Very low	105 Å²	105	95.7 Å²	95.7	64%	0.636	52%	0.516	S	S	*	.			trans	-48.4	107.4	178	173.6	0	0	0	0	104.2	I451 N455	I451-V453 HydrophobicContact CG2-CG2 4.41Å; I451-V453 PolarHBondContact O-N 2.9Å; V453-N455 VanDerWaalsContact C-N 3.31Å; V453-N455 WeakPolarHBondContact O-CA 3.39Å; V453-N455 PolarHBondContact O-N 2.85Å
454	T	32.9	Very low	48.7	Very low	122 Å²	122	94.1 Å²	94.1	75%	0.748	51%	0.506	S	S	*	.			trans	-66.5	97.2	-161.6	26.5	0	0	0	0	106.3	S452 P456	S452-T454 VanDerWaalsContact C-N 3.33Å; S452-T454 WeakPolarHBondContact O-CA 3.31Å; S452-T454 PolarHBondContact O-N 2.91Å; T454-P456 WeakPolarHBondContact O-CA 3.29Å
455	N	37.2	Very low	51.5	Low	134 Å²	134	91.8 Å²	91.8	72%	0.717	49%	0.487	S	S	*	.			trans	-42.5	111.8	-153	-83.2	-41.4	0	0	0	109.5	V453 K457	V453-N455 VanDerWaalsContact C-N 3.31Å; V453-N455 WeakPolarHBondContact O-CA 3.39Å; V453-N455 PolarHBondContact O-N 2.85Å; N455-K457 VanDerWaalsContact O-CA 3.27Å; N455-K457 WeakPolarHBondContact O-CA 3.44Å; N455-K457 PolarHBondContact O-N 2.98Å
456	P	47.6	Very low	54.5	Low	74 Å²	74	85 Å²	85	48%	0.481	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	109.6	-152.4	16.1	-31.5	0	0	0	109.6	T454 E458	T454-P456 WeakPolarHBondContact O-CA 3.29Å; P456-E458 WeakPolarHBondContact O-CA 3.48Å; P456-E458 PolarHBondContact O-N 3.44Å
457	K	56.3	Low	57.4	Low	150 Å²	150	78.9 Å²	78.9	65%	0.652	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	96.8	-148.8	-147.6	175	-175.6	178.6	0	111.1	F320 N455 T459	F320-K457 HydrophobicContact CD1-CD 4.47Å; F320-K457 HydrophobicContact CE1-CB 3.81Å; F320-K457 HydrophobicContact CE1-CD 3.62Å; F320-K457 HydrophobicContact CE1-CG 4.39Å; F320-K457 HydrophobicContact CE2-CB 3.87Å; F320-K457 HydrophobicContact CZ-CB 3.36Å; F320-K457 HydrophobicContact CZ-CD 4.01Å; F320-K457 HydrophobicContact CZ-CG 4.33Å; N455-K457 VanDerWaalsContact O-CA 3.27Å; N455-K457 WeakPolarHBondContact O-CA 3.44Å; N455-K457 PolarHBondContact O-N 2.98Å; K457-T459 PolarHBondContact O-N 3.27Å; K457-T459 PolarHBondContact O-OG1 3.16Å
458	E	70.6	Confident	60	Low	65 Å²	65	80.5 Å²	80.5	30%	0.304	43%	0.428	S	S	.	.			trans	-56.9	109.5	-160.4	-83.1	-163.3	148.7	0	0	110.4	W149 K259 L310 P456 W460	W149-E458 PolarHBondContact NE1-OE2 2.96Å; K259-E458 IonicContact NZ-OE1 2.89Å; K259-E458 PolarHBondContact NZ-OE1 3.18Å; L310-E458 HydrophobicContact CD1-CB 3.71Å; L310-E458 HydrophobicContact CD1-CG 3.94Å; L310-E458 HydrophobicContact CD2-CG 4.31Å; P456-E458 WeakPolarHBondContact O-CA 3.48Å; P456-E458 PolarHBondContact O-N 3.44Å; E458-W460 PolarHBondContact O-N 2.87Å; E458-W460 PolarHBondContact OE2-NE1 2.85Å
459	T	77.1	Confident	62.4	Low	18 Å²	18	72.2 Å²	72.2	11%	0.11	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	93.5	-168.8	-54.3	0	0	0	0	109.3	F245 F247 L311 Q316 K457	F245-T459 HydrophobicContact CB-CG2 3.82Å; F245-T459 HydrophobicContact CD1-CG2 4.18Å; F245-T459 HydrophobicContact CG-CG2 4.42Å; F245-T459 WeakPolarHBondContact O-CG2 3.14Å; F247-T459 HydrophobicContact CE2-CG2 3.81Å; F247-T459 HydrophobicContact CZ-CG2 4.28Å; L311-T459 HydrophobicContact CB-CG2 4.5Å; L311-T459 PolarHBondContact N-O 3.47Å; Q316-T459 PolarHBondContact NE2-OG1 3.35Å; K457-T459 PolarHBondContact O-N 3.27Å; K457-T459 PolarHBondContact O-OG1 3.16Å
460	W	84.5	Confident	65	Low	34 Å²	34	64.3 Å²	64.3	13%	0.129	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.6	-180	-67.7	98.1	0	0	0	111.8	W149 F245 K259 R261 I265 L309 L310 E458	W149-W460 HydrophobicContact CB-CH2 3.76Å; W149-W460 HydrophobicContact CB-CZ2 4.1Å; W149-W460 AromaticContact CD1-CH2 3.92Å; W149-W460 AromaticContact CD1-CZ2 3.41Å; W149-W460 VanDerWaalsContact CD1-CZ2 3.41Å; W149-W460 HydrophobicContact CD2-CZ2 4.19Å; W149-W460 AromaticContact CG-CH2 3.9Å; W149-W460 HydrophobicContact CG-CH2 3.9Å; W149-W460 AromaticContact CG-CZ2 3.69Å; W149-W460 HydrophobicContact CG-CZ2 3.69Å; W149-W460 AromaticContact NE1-CZ2 3.71Å; F245-W460 WeakPolarHBondContact CE1-O 3.35Å; K259-W460 HydrophobicContact CB-CH2 4.05Å; R261-W460 HydrophobicContact CB-CD2 4.41Å; R261-W460 HydrophobicContact CB-CE3 3.79Å; R261-W460 HydrophobicContact CB-CH2 3.49Å; R261-W460 VanDerWaalsContact CB-CH2 3.49Å; R261-W460 HydrophobicContact CB-CZ2 4.14Å; R261-W460 HydrophobicContact CB-CZ3 3.28Å; I265-W460 HydrophobicContact CD1-CG 4.48Å; L309-W460 WeakPolarHBondContact O-CA 3.33Å; L310-W460 HydrophobicContact CB-CD2 4.44Å; L310-W460 HydrophobicContact CB-CE3 4.13Å; L310-W460 HydrophobicContact CB-CH2 3.61Å; L310-W460 HydrophobicContact CB-CZ2 3.94Å; L310-W460 HydrophobicContact CB-CZ3 3.71Å; L310-W460 HydrophobicContact CD1-CZ2 4.3Å; L310-W460 HydrophobicContact CD2-CZ2 4.32Å; L310-W460 HydrophobicContact CG-CZ2 4.42Å; L310-W460 VanDerWaalsContact N-CZ3 3.31Å; E458-W460 PolarHBondContact O-N 2.87Å; E458-W460 PolarHBondContact OE2-NE1 2.85Å
461	I	86.1	Confident	67.2	Low	2 Å²	2	63.1 Å²	63.1	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.1	173.1	-169.8	167.5	0	0	0	109.4	F245 S308 L309 L311 D465 F466 I469 F470	F245-I461 HydrophobicContact CD2-CD1 4.22Å; F245-I461 HydrophobicContact CE1-CB 4.32Å; F245-I461 HydrophobicContact CE1-CG1 4.33Å; F245-I461 HydrophobicContact CE2-CD1 3.75Å; F245-I461 HydrophobicContact CE2-CG1 4.01Å; F245-I461 HydrophobicContact CZ-CB 4.28Å; F245-I461 HydrophobicContact CZ-CD1 4.08Å; F245-I461 HydrophobicContact CZ-CG1 3.79Å; S308-I461 CarbonylContact C-O 3.55Å; S308-I461 WeakPolarHBondContact CA-O 3.47Å; S308-I461 WeakPolarHBondContact CB-O 3.44Å; L309-I461 HydrophobicContact CB-CG2 4.06Å; L309-I461 PolarHBondContact N-O 2.92Å; L309-I461 PolarHBondContact O-N 2.86Å; L311-I461 HydrophobicContact CD1-CB 4.11Å; L311-I461 HydrophobicContact CD1-CD1 4.28Å; L311-I461 HydrophobicContact CD1-CG2 3.78Å; L311-I461 HydrophobicContact CD2-CG2 4.08Å; L311-I461 HydrophobicContact CG-CB 4.48Å; L311-I461 HydrophobicContact CG-CG2 3.76Å; I461-D465 HydrophobicContact CD1-CB 3.97Å; I461-D465 HydrophobicContact CG1-CB 3.67Å; I461-F466 HydrophobicContact CD1-CB 4.24Å; I461-F466 HydrophobicContact CG1-CB 4.39Å; I461-F466 HydrophobicContact CG2-CB 4.21Å; I461-F466 HydrophobicContact CG2-CD2 4.14Å; I461-I469 HydrophobicContact CD1-CD1 3.76Å; I461-F470 HydrophobicContact CD1-CE2 4.29Å
462	D	87.4	Confident	69.6	Low	45 Å²	45	56 Å²	56	24%	0.241	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	152.6	170.5	-167.4	-95.1	0	0	0	111.3	K464 D465 F466	D462-K464 PolarHBondContact O-N 2.8Å; D462-K464 WeakPolarHBondContact OD1-CB 3.27Å; D462-K464 WeakPolarHBondContact OD1-CG 3.23Å; D462-K464 PolarHBondContact OD1-N 2.78Å; D462-D465 PolarHBondContact O-N 3.13Å; D462-F466 VanDerWaalsContact O-CB 3.28Å; D462-F466 WeakPolarHBondContact O-CB 3.44Å; D462-F466 PolarHBondContact O-N 2.73Å
463	I	89.2	Confident	72.3	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-27.9	176.3	-168.4	64.8	0	0	0	112.7	I135 L138 W139 L142 R307 L309 F466 C467	I135-I463 HydrophobicContact CG2-CB 4.34Å; I135-I463 HydrophobicContact CG2-CG1 3.88Å; I135-I463 HydrophobicContact CG2-CG2 3.64Å; L138-I463 HydrophobicContact CD2-CD1 4.44Å; W139-I463 HydrophobicContact CB-CG1 4.26Å; W139-I463 HydrophobicContact CE3-CB 3.82Å; W139-I463 HydrophobicContact CE3-CD1 4.13Å; W139-I463 HydrophobicContact CE3-CG1 3.96Å; W139-I463 HydrophobicContact CE3-CG2 4.22Å; W139-I463 HydrophobicContact CZ3-CB 4.32Å; L142-I463 HydrophobicContact CD1-CD1 4.43Å; R307-I463 HydrophobicContact CB-CB 4.42Å; R307-I463 HydrophobicContact CB-CG2 3.63Å; R307-I463 WeakPolarHBondContact O-CB 3.1Å; R307-I463 PolarHBondContact O-N 2.81Å; L309-I463 HydrophobicContact CD1-CD1 3.83Å; I463-F466 HydrophobicContact CD1-CD1 4.1Å; I463-C467 PolarHBondContact O-N 3.46Å; I463-C467 PolarHBondContact O-SG 2.98Å
464	K	85.2	Confident	74.6	Confident	89 Å²	89	47.7 Å²	47.7	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-59.4	172.8	-68	172.2	178.1	179.8	0	110.3	I135 E304 D462 F466 C467 E468	I135-K464 HydrophobicContact CD1-CG 4.21Å; E304-K464 IonicContact OE1-NZ 3.46Å; E304-K464 PolarHBondContact OE1-NZ 2.95Å; E304-K464 IonicContact OE2-NZ 2.62Å; E304-K464 PolarHBondContact OE2-NZ 3.5Å; D462-K464 PolarHBondContact O-N 2.8Å; D462-K464 WeakPolarHBondContact OD1-CB 3.27Å; D462-K464 WeakPolarHBondContact OD1-CG 3.23Å; D462-K464 PolarHBondContact OD1-N 2.78Å; K464-F466 VanDerWaalsContact C-N 3.28Å; K464-F466 PolarHBondContact O-N 3.03Å; K464-C467 WeakPolarHBondContact O-CB 3.21Å; K464-C467 PolarHBondContact O-N 2.93Å; K464-E468 PolarHBondContact O-N 3.47Å
465	D	83.9	Confident	77.2	Confident	65 Å²	65	41.9 Å²	41.9	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-58.6	-39.4	178.5	-55.7	-38.5	0	0	0	112.1	I461 D462 C467 E468 I469	I461-D465 HydrophobicContact CD1-CB 3.97Å; I461-D465 HydrophobicContact CG1-CB 3.67Å; D462-D465 PolarHBondContact O-N 3.13Å; D465-C467 VanDerWaalsContact C-N 3.25Å; D465-C467 PolarHBondContact O-N 3.48Å; D465-E468 WeakPolarHBondContact O-CB 3.4Å; D465-E468 PolarHBondContact O-N 2.69Å; D465-E468 VanDerWaalsContact O-N 3.08Å; D465-I469 PolarHBondContact O-N 2.94Å; D465-I469 VanDerWaalsContact O-N 3.09Å
466	F	87.3	Confident	79.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-39.3	176.5	179.2	-89.5	0	0	0	111.9	V130 L138 A217 I257 L309 L311 I461 D462 I463 K464 E468 F470 V473	V130-F466 HydrophobicContact CG2-CE1 4.42Å; L138-F466 HydrophobicContact CD2-CE1 4.39Å; A217-F466 HydrophobicContact CB-CE2 3.73Å; A217-F466 HydrophobicContact CB-CZ 3.72Å; I257-F466 HydrophobicContact CD1-CE1 4.48Å; I257-F466 HydrophobicContact CD1-CE2 3.65Å; I257-F466 HydrophobicContact CD1-CZ 3.49Å; I257-F466 VanDerWaalsContact CD1-CZ 3.49Å; I257-F466 HydrophobicContact CG1-CE2 4.31Å; L309-F466 HydrophobicContact CD1-CB 4.46Å; L309-F466 HydrophobicContact CD1-CD1 4.16Å; L309-F466 HydrophobicContact CD1-CD2 3.9Å; L309-F466 HydrophobicContact CD1-CE1 4.44Å; L309-F466 HydrophobicContact CD1-CE2 4.19Å; L309-F466 HydrophobicContact CD1-CG 3.9Å; L309-F466 HydrophobicContact CD1-CZ 4.46Å; L311-F466 HydrophobicContact CD2-CD2 4.29Å; L311-F466 HydrophobicContact CD2-CE2 4.21Å; I461-F466 HydrophobicContact CD1-CB 4.24Å; I461-F466 HydrophobicContact CG1-CB 4.39Å; I461-F466 HydrophobicContact CG2-CB 4.21Å; I461-F466 HydrophobicContact CG2-CD2 4.14Å; D462-F466 VanDerWaalsContact O-CB 3.28Å; D462-F466 WeakPolarHBondContact O-CB 3.44Å; D462-F466 PolarHBondContact O-N 2.73Å; I463-F466 HydrophobicContact CD1-CD1 4.1Å; K464-F466 VanDerWaalsContact C-N 3.28Å; K464-F466 PolarHBondContact O-N 3.03Å; F466-E468 VanDerWaalsContact C-N 3.28Å; F466-E468 PolarHBondContact O-N 2.82Å; F466-F470 AromaticContact CD2-CD2 3.3Å; F466-F470 HydrophobicContact CD2-CD2 3.3Å; F466-F470 AromaticContact CD2-CE2 3.71Å; F466-F470 HydrophobicContact CD2-CE2 3.71Å; F466-F470 HydrophobicContact CD2-CG 4.13Å; F466-F470 HydrophobicContact CE1-CB 4.28Å; F466-F470 HydrophobicContact CE2-CB 4.15Å; F466-F470 AromaticContact CE2-CD2 3.39Å; F466-F470 HydrophobicContact CE2-CD2 3.39Å; F466-F470 AromaticContact CE2-CE2 3.87Å; F466-F470 HydrophobicContact CE2-CE2 3.87Å; F466-F470 AromaticContact CE2-CG 3.79Å; F466-F470 HydrophobicContact CE2-CG 3.79Å; F466-F470 AromaticContact CG-CD2 3.97Å; F466-F470 HydrophobicContact CG-CD2 3.97Å; F466-F470 HydrophobicContact CZ-CB 3.99Å; F466-F470 HydrophobicContact CZ-CD2 4.11Å; F466-F470 HydrophobicContact CZ-CG 4.12Å; F466-F470 WeakPolarHBondContact O-CB 3.33Å; F466-F470 PolarHBondContact O-N 3.43Å; F466-V473 HydrophobicContact CE1-CG2 3.91Å; F466-V473 HydrophobicContact CZ-CG2 3.65Å
467	C	84.1	Confident	81.5	Confident	25 Å²	25	32.5 Å²	32.5	17%	0.169	15%	0.153	C	C	.	.	H	α-helix	trans	-72.1	-19.6	178.8	-68.4	0	0	0	0	113.8	V130 I463 K464 D465	V130-C467 HydrophobicContact CG1-CB 4.05Å; I463-C467 PolarHBondContact O-N 3.46Å; I463-C467 PolarHBondContact O-SG 2.98Å; K464-C467 WeakPolarHBondContact O-CB 3.21Å; K464-C467 PolarHBondContact O-N 2.93Å; D465-C467 VanDerWaalsContact C-N 3.25Å; D465-C467 PolarHBondContact O-N 3.48Å
468	E	80.6	Confident	82.9	Confident	100 Å²	100	27.5 Å²	27.5	47%	0.467	13%	0.132	S	C	.	.	H	α-helix	trans	-81.3	-46.6	172.5	-57.6	-169.9	154.5	0	0	112	K241 K464 D465 F466	K241-E468 IonicContact NZ-OE2 3.99Å; K241-E468 PolarHBondContact NZ-OE2 3.41Å; K464-E468 PolarHBondContact O-N 3.47Å; D465-E468 WeakPolarHBondContact O-CB 3.4Å; D465-E468 PolarHBondContact O-N 2.69Å; D465-E468 VanDerWaalsContact O-N 3.08Å; F466-E468 VanDerWaalsContact C-N 3.28Å; F466-E468 PolarHBondContact O-N 2.82Å
469	I	78	Confident	83.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-74.8	-46.3	-174.1	-64.1	-179.7	0	0	0	111.9	I238 K241 L242 F245 I461 D465	I238-I469 HydrophobicContact CG2-CG2 4.32Å; K241-I469 HydrophobicContact CB-CD1 3.72Å; K241-I469 HydrophobicContact CB-CG1 4.15Å; K241-I469 HydrophobicContact CD-CG1 4.44Å; L242-I469 HydrophobicContact CD1-CG2 4.34Å; L242-I469 HydrophobicContact CD2-CG2 3.67Å; L242-I469 HydrophobicContact CG-CG2 3.88Å; F245-I469 HydrophobicContact CD2-CD1 4.07Å; F245-I469 HydrophobicContact CE2-CD1 3.86Å; I461-I469 HydrophobicContact CD1-CD1 3.76Å; D465-I469 PolarHBondContact O-N 2.94Å; D465-I469 VanDerWaalsContact O-N 3.09Å
470	F	80.4	Confident	83.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.			trans	-98.9	132	-169.7	-64.7	-81.6	0	0	0	112.1	V130 A217 C219 L242 I255 L311 I461 F466	V130-F470 WeakPolarHBondContact CB-O 3.39Å; V130-F470 WeakPolarHBondContact CG1-O 3.04Å; A217-F470 HydrophobicContact CB-CB 4.17Å; A217-F470 HydrophobicContact CB-CD1 3.31Å; A217-F470 HydrophobicContact CB-CD2 4.44Å; A217-F470 HydrophobicContact CB-CE1 3.69Å; A217-F470 HydrophobicContact CB-CG 3.73Å; A217-F470 HydrophobicContact CB-CZ 4.4Å; C219-F470 WeakPolarHBondContact SG-CE1 3.39Å; L242-F470 HydrophobicContact CD2-CZ 4.31Å; I255-F470 HydrophobicContact CB-CE1 4.08Å; I255-F470 HydrophobicContact CB-CZ 4.36Å; I255-F470 HydrophobicContact CD1-CE1 3.91Å; I255-F470 HydrophobicContact CD1-CZ 3.94Å; I255-F470 HydrophobicContact CG1-CE1 4.28Å; I255-F470 HydrophobicContact CG2-CZ 4.36Å; L311-F470 HydrophobicContact CD1-CE2 3.95Å; L311-F470 HydrophobicContact CD1-CZ 4.01Å; L311-F470 HydrophobicContact CD2-CE2 4.29Å; L311-F470 HydrophobicContact CD2-CZ 4.32Å; I461-F470 HydrophobicContact CD1-CE2 4.29Å; F466-F470 AromaticContact CD2-CD2 3.3Å; F466-F470 HydrophobicContact CD2-CD2 3.3Å; F466-F470 AromaticContact CD2-CE2 3.71Å; F466-F470 HydrophobicContact CD2-CE2 3.71Å; F466-F470 HydrophobicContact CD2-CG 4.13Å; F466-F470 HydrophobicContact CE1-CB 4.28Å; F466-F470 HydrophobicContact CE2-CB 4.15Å; F466-F470 AromaticContact CE2-CD2 3.39Å; F466-F470 HydrophobicContact CE2-CD2 3.39Å; F466-F470 AromaticContact CE2-CE2 3.87Å; F466-F470 HydrophobicContact CE2-CE2 3.87Å; F466-F470 AromaticContact CE2-CG 3.79Å; F466-F470 HydrophobicContact CE2-CG 3.79Å; F466-F470 AromaticContact CG-CD2 3.97Å; F466-F470 HydrophobicContact CG-CD2 3.97Å; F466-F470 HydrophobicContact CZ-CB 3.99Å; F466-F470 HydrophobicContact CZ-CD2 4.11Å; F466-F470 HydrophobicContact CZ-CG 4.12Å; F466-F470 WeakPolarHBondContact O-CB 3.33Å; F466-F470 PolarHBondContact O-N 3.43Å
471	K	73.9	Confident	83.2	Confident	61 Å²	61	29.1 Å²	29.1	27%	0.265	15%	0.146	S	C	.	.	S	Bend	trans	-99.3	-33.4	-174.6	-61.5	-175.6	-172.6	176.5	0	112.2	V130 S218 C219	V130-K471 PolarHBondContact N-O 3.47Å; S218-K471 PolarHBondContact O-N 2.82Å; C219-K471 VanDerWaalsContact O-CD 3.32Å; C219-K471 WeakPolarHBondContact O-CD 2.95Å; C219-K471 WeakPolarHBondContact O-CE 3.33Å
472	T	76.5	Confident	83	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.2	179.7	51.4	0	0	0	0	111.1	T127 I128 V129 A217 S218 N221	T127-T472 HydrophobicContact CG2-CG2 4.34Å; I128-T472 CarbonylContact O-C 3.49Å; I128-T472 VanDerWaalsContact O-CA 3.29Å; I128-T472 WeakPolarHBondContact O-CA 3.36Å; V129-T472 HydrophobicContact CG2-CG2 4.37Å; A217-T472 WeakPolarHBondContact CA-O 3.45Å; S218-T472 PolarHBondContact N-O 2.8Å; S218-T472 PolarHBondContact O-N 2.98Å; N221-T472 WeakPolarHBondContact OD1-CG2 3.38Å
473	V	85	Confident	82.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118	169.5	175.5	0	0	0	0	108.7	I128 V130 L142 I215 F216 A217 F466 I475	I128-V473 HydrophobicContact CB-CB 4.44Å; I128-V473 PolarHBondContact N-O 3.49Å; I128-V473 PolarHBondContact O-N 2.81Å; V130-V473 HydrophobicContact CG2-CG2 3.77Å; L142-V473 HydrophobicContact CD2-CG1 4.22Å; I215-V473 HydrophobicContact CG2-CG1 3.34Å; F216-V473 CarbonylContact O-C 3.5Å; F216-V473 VanDerWaalsContact O-CA 3.3Å; F216-V473 WeakPolarHBondContact O-CA 3.45Å; A217-V473 HydrophobicContact CB-CG2 4.25Å; F466-V473 HydrophobicContact CE1-CG2 3.91Å; F466-V473 HydrophobicContact CZ-CG2 3.65Å; V473-I475 HydrophobicContact CG1-CG1 4.2Å
474	D	83.4	Confident	81.5	Confident	16 Å²	16	33.1 Å²	33.1	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.3	172.7	-73	-19.4	0	0	0	109.3	K125 T127 F216 Y476	K125-D474 VanDerWaalsContact CE-OD1 3.24Å; K125-D474 WeakPolarHBondContact CE-OD1 3.12Å; K125-D474 WeakPolarHBondContact CE-OD2 3.45Å; K125-D474 HydrophobicContact CG-CB 4.45Å; K125-D474 IonicContact NZ-OD1 2.64Å; K125-D474 IonicContact NZ-OD2 2.97Å; T127-D474 VanDerWaalsContact CB-OD1 3.31Å; T127-D474 WeakPolarHBondContact CB-OD1 3.16Å; T127-D474 VanDerWaalsContact CG2-OD1 3.31Å; T127-D474 WeakPolarHBondContact CG2-OD1 3.45Å; T127-D474 PolarHBondContact OG1-OD1 3.49Å; F216-D474 PolarHBondContact N-O 3.4Å; F216-D474 PolarHBondContact O-N 3.38Å; D474-Y476 HydrophobicContact CB-CD2 4.37Å; D474-Y476 HydrophobicContact CB-CE2 3.66Å
475	I	87	Confident	81.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.7	170.6	-51.8	-177	0	0	0	108.3	H126 I128 Y141 L142 Y145 T213 I215 V473 H477	H126-I475 PolarHBondContact N-O 3.39Å; H126-I475 PolarHBondContact O-N 3.42Å; I128-I475 HydrophobicContact CD1-CD1 3.77Å; I128-I475 HydrophobicContact CD1-CG1 4.34Å; Y141-I475 HydrophobicContact CD1-CD1 4.37Å; Y141-I475 HydrophobicContact CE1-CD1 3.68Å; L142-I475 HydrophobicContact CD2-CD1 4.49Å; Y145-I475 HydrophobicContact CD2-CD1 4.16Å; Y145-I475 HydrophobicContact CE2-CD1 4.21Å; T213-I475 HydrophobicContact CG2-CG2 4.28Å; I215-I475 HydrophobicContact CG1-CG1 4.23Å; I215-I475 HydrophobicContact CG1-CG2 4.28Å; I215-I475 HydrophobicContact CG2-CG1 4.24Å; V473-I475 HydrophobicContact CG1-CG1 4.2Å; I475-H477 WeakPolarHBondContact CG2-CE1 3.29Å
476	Y	86.6	Confident	81.2	Confident	11 Å²	11	31.5 Å²	31.5	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.3	174.9	-71.7	-91.4	0	0	0	109	S115 I117 W123 I124 K125 T213 I214 F216 D474	S115-Y476 WeakPolarHBondContact OG-CE1 3.38Å; S115-Y476 PolarHBondContact OG-OH 3.42Å; I117-Y476 HydrophobicContact CB-CD1 4.19Å; I117-Y476 HydrophobicContact CB-CE1 3.56Å; I117-Y476 HydrophobicContact CD1-CE1 4.48Å; I117-Y476 HydrophobicContact CD1-CE2 4.12Å; I117-Y476 HydrophobicContact CG2-CD1 3.58Å; I117-Y476 HydrophobicContact CG2-CE1 3.51Å; I117-Y476 HydrophobicContact CG2-CG 4.14Å; W123-Y476 HydrophobicContact CB-CD1 4.43Å; I124-Y476 CarbonylContact O-C 3.55Å; I124-Y476 WeakPolarHBondContact O-CA 3.32Å; K125-Y476 HydrophobicContact CB-CD1 4.09Å; K125-Y476 HydrophobicContact CB-CE1 3.6Å; K125-Y476 HydrophobicContact CD-CE1 4.3Å; K125-Y476 WeakPolarHBondContact CD-OH 3.43Å; K125-Y476 HydrophobicContact CG-CE1 3.95Å; K125-Y476 HydrophobicContact CG-CE2 4.48Å; T213-Y476 WeakPolarHBondContact CA-O 3.3Å; I214-Y476 PolarHBondContact N-O 3.04Å; I214-Y476 PolarHBondContact O-N 3.3Å; F216-Y476 AromaticContact CD2-CD2 3.74Å; F216-Y476 HydrophobicContact CD2-CD2 3.74Å; F216-Y476 AromaticContact CD2-CE2 3.8Å; F216-Y476 HydrophobicContact CD2-CE2 3.8Å; F216-Y476 HydrophobicContact CE2-CD2 4.19Å; F216-Y476 HydrophobicContact CE2-CE2 4.42Å; D474-Y476 HydrophobicContact CB-CD2 4.37Å; D474-Y476 HydrophobicContact CB-CE2 3.66Å
477	H	87.6	Confident	80.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	-175.7	-55.5	-87.8	0	0	0	111	W123 I124 H126 Y145 T213 I475 P479 Y482 I513 L670	W123-H477 CarbonylContact C-O 3.54Å; W123-H477 VanDerWaalsContact CA-O 3.31Å; W123-H477 WeakPolarHBondContact CA-O 3.49Å; I124-H477 HydrophobicContact CB-CB 4.35Å; I124-H477 PolarHBondContact N-O 3.49Å; I124-H477 PolarHBondContact O-CD2 2.82Å; I124-H477 PolarHBondContact O-N 2.85Å; H126-H477 WeakPolarHBondContact CB-NE2 3.44Å; Y145-H477 AromaticContact CE1-CE1 3.7Å; Y145-H477 AromaticContact CE1-ND1 3.94Å; Y145-H477 AromaticContact CZ-CE1 3.76Å; Y145-H477 PolarHBondContact OH-CE1 2.93Å; T213-H477 WeakPolarHBondContact CG2-ND1 3.44Å; I475-H477 WeakPolarHBondContact CG2-CE1 3.29Å; H477-P479 VanDerWaalsContact O-CD 3.3Å; H477-P479 WeakPolarHBondContact O-CD 3.32Å; H477-Y482 HydrophobicContact CB-CE2 4.1Å; H477-Y482 AromaticContact ND1-CZ 3.99Å; H477-Y482 PolarHBondContact ND1-OH 2.73Å; H477-I513 HydrophobicContact CB-CD1 4.27Å; H477-I513 VanDerWaalsContact CE1-CD1 3.5Å; H477-I513 WeakPolarHBondContact CE1-CD1 3.12Å; H477-I513 WeakPolarHBondContact ND1-CD1 3.45Å; H477-L670 HydrophobicContact CB-CD1 4.43Å
478	K	86.6	Confident	80.5	Confident	45 Å²	45	36.9 Å²	36.9	20%	0.196	20%	0.195	C	C	.	.			trans	-82.3	108.6	176.5	-172.2	-179.2	175.8	-171.6	0	110.2	W123 E212 N480 T481	W123-K478 HydrophobicContact CD2-CB 3.8Å; W123-K478 HydrophobicContact CD2-CG 4.33Å; W123-K478 HydrophobicContact CE3-CB 3.96Å; W123-K478 HydrophobicContact CG-CB 4.4Å; W123-K478 HydrophobicContact CH2-CB 4.05Å; W123-K478 HydrophobicContact CH2-CD 4.17Å; W123-K478 HydrophobicContact CZ2-CB 3.91Å; W123-K478 HydrophobicContact CZ2-CD 3.65Å; W123-K478 HydrophobicContact CZ2-CG 3.97Å; W123-K478 HydrophobicContact CZ3-CB 4.06Å; E212-K478 HydrophobicContact CB-CB 4.01Å; E212-K478 HydrophobicContact CB-CD 3.83Å; E212-K478 HydrophobicContact CG-CD 4.29Å; E212-K478 WeakPolarHBondContact O-CB 3.47Å; E212-K478 PolarHBondContact O-N 3.25Å; E212-K478 IonicContact OE1-NZ 2.73Å; E212-K478 PolarHBondContact OE1-NZ 2.92Å; E212-K478 WeakPolarHBondContact OE2-CD 3.19Å; E212-K478 IonicContact OE2-NZ 3.7Å; E212-K478 PolarHBondContact OE2-NZ 3.42Å; K478-N480 VanDerWaalsContact C-N 3.34Å; K478-N480 PolarHBondContact O-N 3.03Å; K478-T481 HydrophobicContact CB-CG2 4.27Å; K478-T481 HydrophobicContact CD-CG2 3.65Å; K478-T481 HydrophobicContact CG-CG2 4.03Å; K478-T481 PolarHBondContact O-N 3Å; K478-T481 VanDerWaalsContact O-N 3.17Å; K478-T481 PolarHBondContact O-OG1 3.32Å
479	P	79	Confident	80.3	Confident	22 Å²	22	36 Å²	36	14%	0.143	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-53.7	-48	-168.7	-26.7	34.1	0	0	0	113.3	I124 H477 T481 Y482 V485 L670	I124-P479 HydrophobicContact CD1-CG 4.27Å; I124-P479 HydrophobicContact CG1-CG 3.94Å; H477-P479 VanDerWaalsContact O-CD 3.3Å; H477-P479 WeakPolarHBondContact O-CD 3.32Å; P479-T481 PolarHBondContact O-N 2.88Å; P479-Y482 PolarHBondContact O-N 2.76Å; P479-Y482 VanDerWaalsContact O-N 3.16Å; P479-V485 WeakPolarHBondContact O-CG2 3.5Å; P479-L670 HydrophobicContact CB-CD1 4.47Å; P479-L670 HydrophobicContact CB-CD2 3.96Å
480	N	78.2	Confident	79.9	Confident	98 Å²	98	37.8 Å²	37.8	52%	0.524	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-69.6	10.7	-173.8	-56.5	22.5	0	0	0	114.7	K478	K478-N480 VanDerWaalsContact C-N 3.34Å; K478-N480 PolarHBondContact O-N 3.03Å
481	T	81	Confident	79.2	Confident	30 Å²	30	43.8 Å²	43.8	18%	0.184	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-113.4	-6.5	175.6	63	0	0	0	0	114.1	P211 E212 K478 P479	P211-T481 WeakPolarHBondContact CA-OG1 3.45Å; P211-T481 WeakPolarHBondContact CB-OG1 3.41Å; E212-T481 HydrophobicContact CB-CG2 4.04Å; E212-T481 HydrophobicContact CG-CG2 3.99Å; E212-T481 PolarHBondContact N-OG1 3.14Å; E212-T481 WeakPolarHBondContact OE1-CG2 3.43Å; K478-T481 HydrophobicContact CB-CG2 4.27Å; K478-T481 HydrophobicContact CD-CG2 3.65Å; K478-T481 HydrophobicContact CG-CG2 4.03Å; K478-T481 PolarHBondContact O-N 3Å; K478-T481 VanDerWaalsContact O-N 3.17Å; K478-T481 PolarHBondContact O-OG1 3.32Å; P479-T481 PolarHBondContact O-N 2.88Å
482	Y	81.8	Confident	78.5	Confident	16 Å²	16	48 Å²	48	6%	0.063	26%	0.258	C	S	.	.	S	Bend	trans	-79.5	148.7	173.2	-77.4	-104.9	0	0	0	110.7	P211 H477 P479 I484 I513 L670 R672	P211-Y482 HydrophobicContact CB-CD1 4.49Å; P211-Y482 HydrophobicContact CB-CD2 3.7Å; P211-Y482 HydrophobicContact CB-CE1 4.27Å; P211-Y482 HydrophobicContact CB-CE2 3.41Å; P211-Y482 VanDerWaalsContact CB-CE2 3.41Å; P211-Y482 HydrophobicContact CB-CG 4.22Å; P211-Y482 HydrophobicContact CG-CD1 4.49Å; P211-Y482 HydrophobicContact CG-CD2 4.41Å; P211-Y482 HydrophobicContact CG-CE1 3.95Å; P211-Y482 HydrophobicContact CG-CE2 3.85Å; H477-Y482 HydrophobicContact CB-CE2 4.1Å; H477-Y482 AromaticContact ND1-CZ 3.99Å; H477-Y482 PolarHBondContact ND1-OH 2.73Å; P479-Y482 PolarHBondContact O-N 2.76Å; P479-Y482 VanDerWaalsContact O-N 3.16Å; Y482-I484 PolarHBondContact O-N 2.94Å; Y482-I513 HydrophobicContact CE1-CD1 3.71Å; Y482-I513 HydrophobicContact CE2-CD1 4.45Å; Y482-I513 VanDerWaalsContact OH-CD1 3.24Å; Y482-I513 WeakPolarHBondContact OH-CD1 3.48Å; Y482-L670 HydrophobicContact CD1-CB 3.81Å; Y482-L670 HydrophobicContact CD2-CB 4.29Å; Y482-L670 HydrophobicContact CD2-CD1 3.74Å; Y482-L670 HydrophobicContact CE1-CB 4.39Å; Y482-L670 HydrophobicContact CE2-CD1 3.96Å; Y482-L670 HydrophobicContact CG-CB 3.78Å; Y482-L670 HydrophobicContact CG-CD1 4.1Å; Y482-L670 HydrophobicContact CG-CG 4.47Å; Y482-R672 HydrophobicContact CD1-CB 3.7Å; Y482-R672 HydrophobicContact CE1-CB 3.8Å
483	S	70.3	Confident	77.3	Confident	87 Å²	87	53.2 Å²	53.2	61%	0.608	29%	0.292	S	S	*	.	S	Bend	trans	-63.1	-24.2	177.5	32.4	0	0	0	0	113.4	G671	S483-G671 PolarHBondContact N-O 3.24Å; S483-G671 PolarHBondContact OG-O 3.22Å
484	I	75.9	Confident	75.7	Confident	29 Å²	29	54.4 Å²	54.4	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.9	179.3	-54.3	172.3	0	0	0	108	Y482 L670 G671 M694 V696	Y482-I484 PolarHBondContact O-N 2.94Å; I484-L670 WeakPolarHBondContact O-CA 3.49Å; I484-G671 PolarHBondContact N-O 3.5Å; I484-G671 VanDerWaalsContact N-O 3.14Å; I484-G671 PolarHBondContact O-N 3.02Å; I484-M694 HydrophobicContact CD1-CB 3.82Å; I484-M694 HydrophobicContact CD1-CE 4.45Å; I484-M694 HydrophobicContact CD1-CG 3.51Å; I484-M694 WeakPolarHBondContact CD1-O 3.29Å; I484-M694 HydrophobicContact CD1-SD 3.74Å; I484-V696 HydrophobicContact CD1-CB 4.36Å; I484-V696 HydrophobicContact CD1-CG2 3.68Å; I484-V696 HydrophobicContact CG2-CB 4.16Å; I484-V696 HydrophobicContact CG2-CG2 4.32Å
485	V	81.7	Confident	74.3	Confident	64 Å²	64	61.2 Å²	61.2	39%	0.388	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.4	170.1	-175.7	0	0	0	0	107.2	P479 I669 L670	P479-V485 WeakPolarHBondContact O-CG2 3.5Å; V485-I669 WeakPolarHBondContact CA-O 3.34Å; V485-L670 HydrophobicContact CB-CD2 4.3Å; V485-L670 HydrophobicContact CG1-CD2 3.89Å; V485-L670 HydrophobicContact CG2-CD2 3.95Å
486	K	80.2	Confident	72.8	Confident	57 Å²	57	68.9 Å²	68.9	25%	0.248	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.1	171.3	-82.3	-168.2	162.5	-169.7	0	109.8	Y488 T668 I669 V696	K486-Y488 HydrophobicContact CB-CE2 3.98Å; K486-Y488 HydrophobicContact CD-CE2 4.08Å; K486-Y488 HydrophobicContact CG-CE2 4.45Å; K486-T668 CarbonylContact O-C 3.58Å; K486-T668 WeakPolarHBondContact O-CA 3.47Å; K486-I669 PolarHBondContact N-O 2.83Å; K486-I669 PolarHBondContact O-N 3.24Å; K486-V696 WeakPolarHBondContact CD-O 3.35Å; K486-V696 VanDerWaalsContact CE-O 3.25Å; K486-V696 WeakPolarHBondContact CE-O 3.14Å; K486-V696 PolarHBondContact NZ-O 3.47Å
487	T	80.4	Confident	71.7	Confident	80 Å²	80	70.7 Å²	70.7	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127	179.6	-63.5	0	0	0	0	109.3	V666 I667 T668	T487-V666 HydrophobicContact CG2-CG1 3.53Å; T487-I667 CarbonylContact C-O 3.55Å; T487-I667 VanDerWaalsContact CA-O 3.29Å; T487-I667 WeakPolarHBondContact CA-O 3.37Å; T487-T668 WeakPolarHBondContact CG2-OG1 3.38Å; T487-T668 PolarHBondContact OG1-OG1 2.74Å
488	Y	77.3	Confident	70.9	Confident	58 Å²	58	73 Å²	73	23%	0.227	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.5	-179.7	-70.8	-100.1	0	0	0	109	K486 V666 I667 L698	K486-Y488 HydrophobicContact CB-CE2 3.98Å; K486-Y488 HydrophobicContact CD-CE2 4.08Å; K486-Y488 HydrophobicContact CG-CE2 4.45Å; Y488-V666 CarbonylContact O-C 3.56Å; Y488-V666 VanDerWaalsContact O-CA 3.31Å; Y488-V666 WeakPolarHBondContact O-CA 3.31Å; Y488-I667 PolarHBondContact N-O 2.71Å; Y488-I667 PolarHBondContact O-N 3.1Å; Y488-L698 HydrophobicContact CD1-CD2 3.94Å; Y488-L698 HydrophobicContact CD2-CB 4.03Å; Y488-L698 HydrophobicContact CD2-CD2 3.44Å; Y488-L698 VanDerWaalsContact CD2-CD2 3.44Å; Y488-L698 HydrophobicContact CD2-CG 4.36Å; Y488-L698 HydrophobicContact CE1-CB 4.16Å; Y488-L698 HydrophobicContact CE1-CD2 4.28Å; Y488-L698 HydrophobicContact CE2-CB 3.45Å; Y488-L698 VanDerWaalsContact CE2-CB 3.45Å; Y488-L698 HydrophobicContact CE2-CD2 3.81Å; Y488-L698 HydrophobicContact CE2-CG 4.26Å; Y488-L698 HydrophobicContact CG-CD2 3.51Å; Y488-L698 PolarHBondContact OH-O 2.84Å
489	S	75.6	Confident	70.4	Confident	81 Å²	81	73.6 Å²	73.6	57%	0.566	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.3	-178.3	59.2	0	0	0	0	111.4	Y665	S489-Y665 CarbonylContact C-O 3.54Å; S489-Y665 VanDerWaalsContact CA-O 3.31Å; S489-Y665 WeakPolarHBondContact CA-O 3.48Å
490	N	70.4	Confident	70.5	Confident	38 Å²	38	73.3 Å²	73.3	20%	0.203	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122	177	-151.4	-68.2	0	0	0	108.7	K498 G664 Y665	N490-K498 WeakPolarHBondContact ND2-CD 3.46Å; N490-K498 WeakPolarHBondContact OD1-CE 3.48Å; N490-K498 PolarHBondContact OD1-NZ 3.48Å; N490-G664 CarbonylContact O-C 3.3Å; N490-G664 WeakPolarHBondContact O-CA 3.36Å; N490-Y665 HydrophobicContact CB-CD1 4.26Å; N490-Y665 HydrophobicContact CB-CD2 4.49Å; N490-Y665 HydrophobicContact CB-CE1 3.71Å; N490-Y665 HydrophobicContact CB-CE2 3.96Å; N490-Y665 PolarHBondContact N-O 2.94Å; N490-Y665 PolarHBondContact O-N 2.75Å
491	I	64.2	Low	70.7	Confident	127 Å²	127	70.9 Å²	70.9	65%	0.651	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	75.4	-177	-48.2	178.3	0	0	0	108.1	I519	I491-I519 HydrophobicContact CD1-CD1 4.4Å; I491-I519 HydrophobicContact CG1-CD1 4.08Å
492	K	59.4	Low	70.7	Confident	149 Å²	149	69.5 Å²	69.5	65%	0.648	37%	0.365	S	S	*	.	S	Bend	trans	-146.7	130	173.1	-72.8	-169.4	176.2	-177.9	0	108.5	S494 L663	K492-S494 PolarHBondContact O-N 3.19Å; K492-L663 CarbonylContact C-O 3.55Å; K492-L663 VanDerWaalsContact C-O 3.31Å; K492-L663 PolarHBondContact N-O 3.37Å
493	P	51.7	Low	70.6	Confident	109 Å²	109	69.3 Å²	69.3	71%	0.708	37%	0.365	S	S	*	.			trans	-66.3	104.7	177.1	28.2	-33.8	0	0	0	109.6	L663	P493-L663 HydrophobicContact CB-CD2 4.27Å
494	S	50.4	Low	70.8	Confident	25 Å²	25	65.3 Å²	65.3	18%	0.175	34%	0.337	C	S	.	.			trans	-142.8	105.3	179.1	63.3	0	0	0	0	109.7	K492 Q496 K498	K492-S494 PolarHBondContact O-N 3.19Å; S494-Q496 PolarHBondContact O-N 3.33Å; S494-K498 PolarHBondContact OG-NZ 2.94Å
495	Y	54.5	Low	70.7	Confident	160 Å²	160	65.6 Å²	65.6	63%	0.627	34%	0.339	S	S	*	.			trans	-64.6	-13.8	169.4	-76.7	-86.5	0	0	0	112.9	T612	Y495-T612 HydrophobicContact CE1-CG2 4.17Å; Y495-T612 VanDerWaalsContact OH-CG2 3.3Å; Y495-T612 WeakPolarHBondContact OH-CG2 3.33Å
496	Q	57.1	Low	70.1	Confident	160 Å²	160	62.8 Å²	62.8	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	-65.3	129.6	169.1	-69.5	172.4	-26.7	0	0	110.3	S494 K498	S494-Q496 PolarHBondContact O-N 3.33Å; Q496-K498 PolarHBondContact O-N 3.39Å
497	S	63.4	Low	69.3	Low	50 Å²	50	66.2 Å²	66.2	35%	0.35	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-62.3	125.5	173.9	50.6	0	0	0	0	110.4
498	K	70.4	Confident	68.7	Low	48 Å²	48	66.5 Å²	66.5	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.2	178.1	-79.2	-163.3	174.7	100.9	0	111.2	N490 S494 Q496 L658 I659 Y665	N490-K498 WeakPolarHBondContact ND2-CD 3.46Å; N490-K498 WeakPolarHBondContact OD1-CE 3.48Å; N490-K498 PolarHBondContact OD1-NZ 3.48Å; S494-K498 PolarHBondContact OG-NZ 2.94Å; Q496-K498 PolarHBondContact O-N 3.39Å; K498-L658 WeakPolarHBondContact O-CA 3.42Å; K498-L658 WeakPolarHBondContact O-CD2 3.48Å; K498-I659 PolarHBondContact N-O 3.45Å; K498-I659 PolarHBondContact O-N 2.86Å; K498-Y665 HydrophobicContact CB-CE1 4.34Å; K498-Y665 WeakPolarHBondContact CB-OH 3.49Å; K498-Y665 HydrophobicContact CD-CE1 4.24Å; K498-Y665 WeakPolarHBondContact CD-OH 3.07Å
499	V	75.7	Confident	68.7	Low	58 Å²	58	66.1 Å²	66.1	35%	0.352	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.8	-168.5	165.8	0	0	0	0	107.4	Y501 K656 L658	V499-Y501 HydrophobicContact CG1-CD1 4.23Å; V499-Y501 HydrophobicContact CG1-CE1 3.19Å; V499-Y501 VanDerWaalsContact CG1-CZ 3.43Å; V499-Y501 WeakPolarHBondContact CG1-OH 3.38Å; V499-K656 HydrophobicContact CG1-CD 4.04Å; V499-K656 HydrophobicContact CG1-CG 4.05Å; V499-L658 HydrophobicContact CG2-CD2 3.64Å; V499-L658 HydrophobicContact CG2-CG 4.03Å
500	H	81	Confident	68.7	Low	15 Å²	15	62.3 Å²	62.3	7%	0.069	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.6	173.3	-70.5	-72	0	0	0	110.7	K656 L657 Y665 L698 D699	H500-K656 CarbonylContact O-C 3.59Å; H500-K656 WeakPolarHBondContact O-CA 3.35Å; H500-K656 VanDerWaalsContact O-CB 3.28Å; H500-K656 WeakPolarHBondContact O-CB 3.49Å; H500-K656 WeakPolarHBondContact O-CG 3.16Å; H500-L657 HydrophobicContact CB-CB 4.18Å; H500-L657 PolarHBondContact N-O 2.71Å; H500-L657 VanDerWaalsContact N-O 3.1Å; H500-L657 PolarHBondContact O-N 3.41Å; H500-Y665 AromaticContact CD2-CE2 4Å; H500-Y665 PolarHBondContact CD2-OH 2.81Å; H500-Y665 AromaticContact NE2-CE2 3.47Å; H500-Y665 WeakPolarHBondContact NE2-CE2 3.25Å; H500-Y665 AromaticContact NE2-CZ 3.47Å; H500-Y665 PolarHBondContact NE2-OH 3.5Å; H500-L698 HydrophobicContact CB-CD1 4.37Å; H500-L698 HydrophobicContact CB-CD2 4.34Å; H500-L698 HydrophobicContact CB-CG 4.39Å; H500-D699 WeakPolarHBondContact CA-OD1 3.36Å; H500-D699 VanDerWaalsContact CB-OD1 3.27Å; H500-D699 WeakPolarHBondContact CB-OD1 3.1Å; H500-D699 IonicContact CE1-OD2 3.5Å; H500-D699 PolarHBondContact CE1-OD2 3.41Å; H500-D699 VanDerWaalsContact CE1-OD2 3.31Å; H500-D699 IonicContact CG-OD1 3.82Å; H500-D699 IonicContact CG-OD2 2.7Å; H500-D699 IonicContact ND1-OD1 3.97Å; H500-D699 PolarHBondContact ND1-OD1 3.07Å; H500-D699 IonicContact ND1-OD2 3.06Å; H500-D699 PolarHBondContact ND1-OD2 3.45Å
501	Y	81.8	Confident	69.4	Low	48 Å²	48	60.5 Å²	60.5	19%	0.188	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.5	176.8	-44.4	-45.7	0	0	0	111.3	V499 Y655 K656 L698 D699 D700 I709	V499-Y501 HydrophobicContact CG1-CD1 4.23Å; V499-Y501 HydrophobicContact CG1-CE1 3.19Å; V499-Y501 VanDerWaalsContact CG1-CZ 3.43Å; V499-Y501 WeakPolarHBondContact CG1-OH 3.38Å; Y501-Y655 CarbonylContact C-O 3.55Å; Y501-Y655 VanDerWaalsContact CA-O 3.23Å; Y501-Y655 WeakPolarHBondContact CA-O 3.23Å; Y501-K656 HydrophobicContact CD1-CB 3.7Å; Y501-K656 HydrophobicContact CD1-CD 4.32Å; Y501-K656 HydrophobicContact CD1-CG 3.7Å; Y501-K656 HydrophobicContact CE1-CB 4.15Å; Y501-K656 HydrophobicContact CE1-CD 3.9Å; Y501-K656 HydrophobicContact CE1-CG 3.7Å; Y501-L698 CarbonylContact O-C 3.5Å; Y501-L698 WeakPolarHBondContact O-CA 3.24Å; Y501-L698 WeakPolarHBondContact O-CD1 3.26Å; Y501-L698 WeakPolarHBondContact O-CG 3.33Å; Y501-D699 PolarHBondContact N-OD1 3.05Å; Y501-D699 PolarHBondContact O-N 2.86Å; Y501-D700 WeakPolarHBondContact CD2-OD2 3.03Å; Y501-D700 WeakPolarHBondContact CE2-OD2 3.35Å; Y501-I709 HydrophobicContact CD1-CB 3.65Å; Y501-I709 HydrophobicContact CD1-CG1 3.63Å; Y501-I709 HydrophobicContact CD2-CG1 4.17Å; Y501-I709 HydrophobicContact CE1-CB 3.37Å; Y501-I709 HydrophobicContact CE1-CG1 3.13Å; Y501-I709 HydrophobicContact CE2-CG1 3.73Å; Y501-I709 HydrophobicContact CG-CB 4.48Å; Y501-I709 HydrophobicContact CG-CG1 4.14Å; Y501-I709 WeakPolarHBondContact OH-CG1 3.47Å
502	L	82.6	Confident	70.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.2	-171.8	170.7	61.6	0	0	0	111.3	I514 C654 Y655 L657 I669 V696 M697 L698	L502-I514 HydrophobicContact CD2-CD1 3.65Å; L502-I514 HydrophobicContact CD2-CG1 4.49Å; L502-C654 WeakPolarHBondContact O-CA 2.97Å; L502-Y655 HydrophobicContact CD2-CD2 4.39Å; L502-Y655 PolarHBondContact N-O 2.82Å; L502-Y655 PolarHBondContact O-N 2.9Å; L502-L657 HydrophobicContact CB-CD1 4.39Å; L502-L657 HydrophobicContact CB-CG 4.41Å; L502-L657 HydrophobicContact CD2-CD1 4.34Å; L502-L657 HydrophobicContact CD2-CD2 4.28Å; L502-I669 HydrophobicContact CD1-CD1 3.77Å; L502-I669 HydrophobicContact CD1-CG2 4.37Å; L502-I669 HydrophobicContact CD2-CD1 4.09Å; L502-I669 HydrophobicContact CG-CD1 4.49Å; L502-V696 HydrophobicContact CD1-CG1 3.49Å; L502-V696 VanDerWaalsContact CD1-CG1 3.49Å; L502-M697 CarbonylContact C-O 3.57Å; L502-M697 WeakPolarHBondContact CA-O 3.47Å; L502-M697 WeakPolarHBondContact CD1-O 3.22Å; L502-L698 HydrophobicContact CB-CD1 3.72Å; L502-L698 HydrophobicContact CD1-CD1 4.09Å; L502-L698 HydrophobicContact CG-CD1 4.44Å
503	F	78.2	Confident	71.8	Confident	13 Å²	13	47.3 Å²	47.3	6%	0.057	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.2	179.8	-39.4	-33.9	0	0	0	109.2	C654 V696 M697 D700 L706 N707 G708	F503-C654 HydrophobicContact CD1-CB 4.17Å; F503-C654 WeakPolarHBondContact CD1-SG 3.48Å; F503-C654 WeakPolarHBondContact CE1-SG 3.47Å; F503-V696 VanDerWaalsContact O-CA 3.29Å; F503-V696 WeakPolarHBondContact O-CA 3.29Å; F503-M697 HydrophobicContact CB-CB 4.16Å; F503-M697 HydrophobicContact CD2-CB 3.6Å; F503-M697 HydrophobicContact CD2-SD 4.39Å; F503-M697 HydrophobicContact CE2-CB 4.34Å; F503-M697 HydrophobicContact CG-CB 4.22Å; F503-M697 PolarHBondContact N-O 2.92Å; F503-M697 PolarHBondContact O-N 2.8Å; F503-D700 WeakPolarHBondContact CZ-OD1 3.48Å; F503-L706 WeakPolarHBondContact CB-O 3.43Å; F503-L706 VanDerWaalsContact CD2-C 3.43Å; F503-L706 VanDerWaalsContact CD2-O 3.25Å; F503-L706 WeakPolarHBondContact CD2-O 2.84Å; F503-L706 WeakPolarHBondContact CG-O 3.18Å; F503-N707 WeakPolarHBondContact CD1-O 3.22Å; F503-N707 WeakPolarHBondContact CE1-O 3.26Å; F503-G708 VanDerWaalsContact CE1-CA 3.42Å; F503-G708 VanDerWaalsContact CE1-N 3.3Å
504	C	74.1	Confident	73.6	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.02	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.6	167.8	-173.2	0	0	0	0	109.8	I512 L648 R652 Y653 N695	C504-I512 HydrophobicContact CB-CD1 3.76Å; C504-L648 HydrophobicContact CB-CD1 4.37Å; C504-R652 WeakPolarHBondContact O-CA 3.48Å; C504-Y653 PolarHBondContact N-O 2.85Å; C504-Y653 PolarHBondContact O-N 3.4Å; C504-N695 WeakPolarHBondContact CA-O 3.42Å
505	D	74.1	Confident	75.4	Confident	35 Å²	35	42.1 Å²	42.1	19%	0.187	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.1	171	-170.2	17.3	0	0	0	108.5	R652 N695	D505-R652 HydrophobicContact CB-CG 4.09Å; D505-R652 WeakPolarHBondContact OD1-CG 3.45Å; D505-R652 IonicContact OD1-CZ 4Å; D505-R652 IonicContact OD1-NE 2.75Å; D505-R652 PolarHBondContact OD1-NE 2.79Å; D505-R652 IonicContact OD1-NH2 3.22Å; D505-R652 IonicContact OD2-CZ 3.35Å; D505-R652 VanDerWaalsContact OD2-CZ 3.25Å; D505-R652 IonicContact OD2-NE 3.06Å; D505-R652 PolarHBondContact OD2-NE 3.38Å; D505-R652 IonicContact OD2-NH2 2.74Å; D505-R652 PolarHBondContact OD2-NH2 2.78Å; D505-N695 HydrophobicContact CB-CB 4.38Å; D505-N695 PolarHBondContact N-O 2.79Å; D505-N695 PolarHBondContact O-N 3.04Å
506	S	69.2	Low	76.8	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	122.4	179.8	-172	0	0	0	0	111.9	Q508 S651	S506-Q508 WeakPolarHBondContact CB-O 3.46Å; S506-Q508 PolarHBondContact O-N 2.79Å; S506-Q508 PolarHBondContact OG-O 3.13Å; S506-S651 PolarHBondContact N-O 3Å; S506-S651 PolarHBondContact O-N 3.18Å
507	I	64.5	Low	77.8	Confident	129 Å²	129	27.9 Å²	27.9	66%	0.662	15%	0.148	S	C	*	.	S	Bend	trans	-73.9	-15.4	179.1	-58.4	169.2	0	0	0	111.6	F650 V1291	I507-F650 WeakPolarHBondContact O-CB 3.21Å; I507-V1291 HydrophobicContact CG2-CG1 4.23Å
508	Q	67.6	Low	78.2	Confident	87 Å²	87	25.8 Å²	25.8	41%	0.407	13%	0.133	S	C	.	.	S	Bend	trans	-119.7	154.3	174.5	-69.4	-179.3	0.7	0	0	109.8	S506 C510 I673	S506-Q508 WeakPolarHBondContact CB-O 3.46Å; S506-Q508 PolarHBondContact O-N 2.79Å; S506-Q508 PolarHBondContact OG-O 3.13Å; Q508-C510 PolarHBondContact O-N 3.28Å; Q508-I673 HydrophobicContact CB-CG2 3.64Å; Q508-I673 HydrophobicContact CG-CG2 4.47Å
509	P	77.4	Confident	77.9	Confident	50 Å²	50	24.6 Å²	24.6	33%	0.325	13%	0.129	S	C	.	.			trans	-52.4	138.2	174.6	-24.7	34.4	0	0	0	111.1	L648 F650 R674	P509-L648 CarbonylContact C-O 3.56Å; P509-L648 WeakPolarHBondContact CA-O 3.41Å; P509-F650 HydrophobicContact CG-CD1 4.44Å; P509-R674 HydrophobicContact CB-CB 4.44Å; P509-R674 WeakPolarHBondContact O-CB 2.78Å; P509-R674 PolarHBondContact O-N 2.88Å
510	C	75.9	Confident	76.9	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.7	-172.6	64.6	0	0	0	0	112.3	Q508 L648 R672 M694	Q508-C510 PolarHBondContact O-N 3.28Å; C510-L648 PolarHBondContact N-O 3.11Å; C510-L648 PolarHBondContact O-N 2.87Å; C510-R672 CarbonylContact C-O 3.47Å; C510-R672 VanDerWaalsContact CA-O 3.25Å; C510-R672 WeakPolarHBondContact CA-O 3.03Å; C510-R672 WeakPolarHBondContact CB-O 3.32Å; C510-M694 HydrophobicContact CB-CE 3.73Å; C510-M694 HydrophobicContact CB-SD 3.8Å
511	E	84.2	Confident	75.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	-178.1	179.1	153.2	-159.7	0	0	109	Y141 Y145 S645 L646 L647 R672 R674	Y141-E511 PolarHBondContact OH-OE1 2.87Å; Y145-E511 PolarHBondContact OH-OE1 3.05Å; Y145-E511 PolarHBondContact OH-OE2 3.02Å; E511-S645 WeakPolarHBondContact CG-OG 3.48Å; E511-S645 PolarHBondContact OE1-OG 2.83Å; E511-L646 WeakPolarHBondContact CA-O 3.42Å; E511-L647 HydrophobicContact CB-CD2 4Å; E511-L647 HydrophobicContact CG-CD2 3.65Å; E511-L647 VanDerWaalsContact OE1-CD2 3.24Å; E511-L647 WeakPolarHBondContact OE1-CD2 3.4Å; E511-R672 PolarHBondContact N-O 3.36Å; E511-R672 PolarHBondContact O-N 3.02Å; E511-R674 IonicContact OE1-NH2 2.71Å; E511-R674 IonicContact OE2-CZ 3.01Å; E511-R674 IonicContact OE2-NE 3.77Å; E511-R674 PolarHBondContact OE2-NE 2.85Å; E511-R674 VanDerWaalsContact OE2-NE 3.08Å; E511-R674 IonicContact OE2-NH2 2.68Å; E511-R674 PolarHBondContact OE2-NH2 3.41Å
512	I	87.5	Confident	73.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.8	178.1	-49.8	-177.4	0	0	0	108.6	C504 I514 S645 L646 L648 I669 L670 M694	C504-I512 HydrophobicContact CB-CD1 3.76Å; I512-I514 HydrophobicContact CG2-CD1 4.28Å; I512-I514 HydrophobicContact CG2-CG1 3.89Å; I512-S645 CarbonylContact O-C 3.58Å; I512-S645 WeakPolarHBondContact O-CA 3.49Å; I512-L646 HydrophobicContact CB-CB 4.43Å; I512-L646 PolarHBondContact N-O 2.83Å; I512-L646 PolarHBondContact O-N 2.8Å; I512-L648 HydrophobicContact CD1-CD1 3.52Å; I512-L648 HydrophobicContact CG1-CD1 3.93Å; I512-I669 HydrophobicContact CG2-CG2 3.54Å; I512-L670 CarbonylContact C-O 3.58Å; I512-L670 VanDerWaalsContact CA-O 3.27Å; I512-L670 WeakPolarHBondContact CA-O 3.27Å; I512-M694 HydrophobicContact CD1-CE 4.46Å; I512-M694 HydrophobicContact CG1-CE 3.83Å
513	I	87.4	Confident	70.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.3	172.1	-62.1	156.6	0	0	0	108.4	I124 H477 Y482 I644 I669 L670	I124-I513 HydrophobicContact CG2-CG2 4.43Å; H477-I513 HydrophobicContact CB-CD1 4.27Å; H477-I513 VanDerWaalsContact CE1-CD1 3.5Å; H477-I513 WeakPolarHBondContact CE1-CD1 3.12Å; H477-I513 WeakPolarHBondContact ND1-CD1 3.45Å; Y482-I513 HydrophobicContact CE1-CD1 3.71Å; Y482-I513 HydrophobicContact CE2-CD1 4.45Å; Y482-I513 VanDerWaalsContact OH-CD1 3.24Å; Y482-I513 WeakPolarHBondContact OH-CD1 3.48Å; I513-I644 CarbonylContact C-O 3.48Å; I513-I644 WeakPolarHBondContact CA-O 3.24Å; I513-I669 CarbonylContact O-C 3.57Å; I513-I669 WeakPolarHBondContact O-CA 3.29Å; I513-L670 HydrophobicContact CB-CB 4.25Å; I513-L670 PolarHBondContact N-O 2.76Å; I513-L670 PolarHBondContact O-N 3.01Å
514	I	89.5	Confident	68.5	Low	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.1	-177.9	-55.9	171.4	0	0	0	108.1	L502 I512 L617 I619 S643 I644 L646 L657 I667 T668 I669	L502-I514 HydrophobicContact CD2-CD1 3.65Å; L502-I514 HydrophobicContact CD2-CG1 4.49Å; I512-I514 HydrophobicContact CG2-CD1 4.28Å; I512-I514 HydrophobicContact CG2-CG1 3.89Å; I514-L617 HydrophobicContact CG2-CD2 3.75Å; I514-I619 HydrophobicContact CD1-CD1 3.47Å; I514-I619 VanDerWaalsContact CD1-CD1 3.47Å; I514-S643 VanDerWaalsContact O-CA 3.23Å; I514-S643 WeakPolarHBondContact O-CA 3.48Å; I514-S643 WeakPolarHBondContact O-CB 3.44Å; I514-I644 HydrophobicContact CB-CG1 4.18Å; I514-I644 PolarHBondContact N-O 2.79Å; I514-I644 PolarHBondContact O-N 3.37Å; I514-L646 HydrophobicContact CD1-CD1 3.87Å; I514-L657 HydrophobicContact CD1-CD2 4.38Å; I514-I667 HydrophobicContact CG2-CG2 3.89Å; I514-T668 WeakPolarHBondContact CA-O 3.42Å; I514-I669 HydrophobicContact CG1-CG1 4.42Å; I514-I669 HydrophobicContact CG1-CG2 4.41Å; I514-I669 HydrophobicContact CG2-CG1 4.47Å
515	Q	88.1	Confident	66.3	Low	25 Å²	25	46.1 Å²	46.1	12%	0.117	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.7	170.9	178	-174.5	-28.4	0	0	109.5	I124 S517 S642 I667 T668	I124-Q515 HydrophobicContact CD1-CB 4.16Å; I124-Q515 VanDerWaalsContact CD1-OE1 3.3Å; I124-Q515 HydrophobicContact CG2-CB 3.86Å; I124-Q515 HydrophobicContact CG2-CG 4.15Å; Q515-S517 PolarHBondContact NE2-OG 2.9Å; Q515-S642 WeakPolarHBondContact CA-O 3.5Å; Q515-I667 CarbonylContact O-C 3.46Å; Q515-I667 WeakPolarHBondContact O-CA 3.31Å; Q515-T668 PolarHBondContact N-O 3.3Å; Q515-T668 PolarHBondContact O-N 2.89Å
516	L	84.4	Confident	64.1	Low	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131	160.8	178.1	67.8	0	0	0	108.5	V518 L617 T638 S641 S642 I659 Y665	L516-V518 HydrophobicContact CD1-CG2 4.17Å; L516-V518 HydrophobicContact CD2-CG2 3.8Å; L516-V518 HydrophobicContact CG-CG2 3.7Å; L516-L617 HydrophobicContact CB-CB 4.13Å; L516-L617 HydrophobicContact CB-CD2 4Å; L516-L617 HydrophobicContact CD2-CB 3.64Å; L516-L617 HydrophobicContact CG-CB 4.29Å; L516-T638 HydrophobicContact CD2-CG2 3.71Å; L516-T638 HydrophobicContact CG-CG2 4.15Å; L516-S641 CarbonylContact O-C 3.49Å; L516-S641 VanDerWaalsContact O-CA 3.26Å; L516-S641 WeakPolarHBondContact O-CA 3.4Å; L516-S642 PolarHBondContact N-O 2.88Å; L516-S642 PolarHBondContact O-N 2.92Å; L516-I659 HydrophobicContact CD1-CD1 4.38Å; L516-I659 HydrophobicContact CD1-CG2 4.14Å; L516-Y665 HydrophobicContact CD1-CG 4.48Å
517	S	77.8	Confident	62.1	Low	21 Å²	21	56.6 Å²	56.6	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.4	167.5	-77.1	0	0	0	0	109.4	Q515 G640 S641 Y665 V666	Q515-S517 PolarHBondContact NE2-OG 2.9Å; S517-G640 WeakPolarHBondContact CA-O 3.29Å; S517-S641 VanDerWaalsContact CB-OG 3.32Å; S517-S641 WeakPolarHBondContact CB-OG 3.36Å; S517-S641 WeakPolarHBondContact OG-CB 3.49Å; S517-S641 PolarHBondContact OG-OG 2.95Å; S517-Y665 CarbonylContact O-C 3.52Å; S517-Y665 WeakPolarHBondContact O-CA 3.28Å; S517-V666 PolarHBondContact N-O 2.97Å; S517-V666 PolarHBondContact O-N 2.9Å
518	V	71.4	Confident	60.3	Low	5 Å²	5	60 Å²	60	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.1	-165.2	-160.2	0	0	0	0	113.4	M51 L516 S615 T638 G640 A661 G664	M51-V518 WeakPolarHBondContact CG-O 3.44Å; L516-V518 HydrophobicContact CD1-CG2 4.17Å; L516-V518 HydrophobicContact CD2-CG2 3.8Å; L516-V518 HydrophobicContact CG-CG2 3.7Å; V518-S615 WeakPolarHBondContact CG1-OG 3.22Å; V518-T638 HydrophobicContact CG2-CG2 3.62Å; V518-G640 PolarHBondContact N-O 2.71Å; V518-A661 HydrophobicContact CG1-CB 3.52Å; V518-G664 VanDerWaalsContact CG1-O 3.3Å; V518-G664 WeakPolarHBondContact CG1-O 3.45Å
519	I	63.5	Low	58.3	Low	24 Å²	24	66.5 Å²	66.5	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	175.9	-49.7	175.2	0	0	0	107.5	I491 L663 G664	I491-I519 HydrophobicContact CD1-CD1 4.4Å; I491-I519 HydrophobicContact CG1-CD1 4.08Å; I519-L663 HydrophobicContact CB-CB 4.38Å; I519-L663 HydrophobicContact CG2-CB 4.08Å; I519-L663 HydrophobicContact CG2-CD1 4.26Å; I519-L663 WeakPolarHBondContact O-CB 3.36Å; I519-L663 PolarHBondContact O-N 3.42Å; I519-G664 WeakPolarHBondContact CB-O 3.26Å; I519-G664 PolarHBondContact N-O 3.42Å
520	Y	54.1	Low	55.9	Low	46 Å²	46	72.4 Å²	72.4	18%	0.18	37%	0.369	C	S	.	.			trans	-120.8	142.1	-172.6	-164.9	-90.4	0	0	0	111.6	T612 P662	Y520-T612 WeakPolarHBondContact OH-CB 3.29Å; Y520-T612 PolarHBondContact OH-O 2.83Å; Y520-T612 PolarHBondContact OH-OG1 3.35Å; Y520-P662 HydrophobicContact CD2-CG 3.53Å; Y520-P662 HydrophobicContact CE2-CG 3.84Å; Y520-P662 HydrophobicContact CG-CG 4.26Å
521	Q	44.6	Very low	53.7	Low	109 Å²	109	78 Å²	78	51%	0.509	40%	0.404	S	S	.	.			trans	-82.8	121.8	175.6	-165.5	163.6	-2.4	0	0	110.3	P523 L663	Q521-P523 WeakPolarHBondContact O-CD 3.45Å; Q521-L663 HydrophobicContact CB-CD1 3.68Å; Q521-L663 HydrophobicContact CB-CD2 3.96Å; Q521-L663 HydrophobicContact CB-CG 3.73Å; Q521-L663 HydrophobicContact CG-CD1 4.24Å; Q521-L663 HydrophobicContact CG-CD2 4.48Å
522	W	41	Very low	51.2	Low	89 Å²	89	83.6 Å²	83.6	34%	0.337	44%	0.439	S	S	.	.			trans	-66.9	126	172.3	-73.2	56	0	0	0	108.2	R55 I97 I524	R55-W522 VanDerWaalsContact NH1-NE1 3.13Å; I97-W522 HydrophobicContact CB-CH2 3.98Å; I97-W522 HydrophobicContact CB-CZ3 4.27Å; I97-W522 HydrophobicContact CD1-CH2 3.61Å; I97-W522 HydrophobicContact CD1-CZ3 3.82Å; I97-W522 HydrophobicContact CG1-CH2 4.37Å; I97-W522 HydrophobicContact CG2-CH2 3.79Å; I97-W522 HydrophobicContact CG2-CZ3 3.63Å; W522-I524 PolarHBondContact O-N 3.2Å
523	P	34	Very low	48.5	Very low	101 Å²	101	90 Å²	90	66%	0.656	48%	0.479	S	S	*	.			trans	-56.5	111.2	165.4	-20.8	32.6	0	0	0	107.1	Q521 P525	Q521-P523 WeakPolarHBondContact O-CD 3.45Å; P523-P525 VanDerWaalsContact O-CD 3.3Å; P523-P525 WeakPolarHBondContact O-CD 3.33Å; P523-P525 VanDerWaalsContact O-N 3.15Å
524	I	27.8	Very low	45.7	Very low	133 Å²	133	94.8 Å²	94.8	68%	0.682	51%	0.508	S	S	*	.			trans	-59.3	121.1	169	-59.7	174.7	0	0	0	104.6	W522 I526	W522-I524 PolarHBondContact O-N 3.2Å; I524-I526 PolarHBondContact O-N 2.61Å
525	P	27.9	Very low	43	Very low	111 Å²	111	104.8 Å²	104.8	72%	0.721	55%	0.548	S	S	*	.			trans	-56.2	121	179.4	-24.4	34.2	0	0	0	108.1	P523 A527	P523-P525 VanDerWaalsContact O-CD 3.3Å; P523-P525 WeakPolarHBondContact O-CD 3.33Å; P523-P525 VanDerWaalsContact O-N 3.15Å; P525-A527 PolarHBondContact O-N 2.95Å
526	I	27.6	Very low	40	Very low	165 Å²	165	107.4 Å²	107.4	85%	0.846	57%	0.569	S	S	*	*			trans	-70.5	84.2	177.6	-59.1	178.5	0	0	0	106.8	I524 K528	I524-I526 PolarHBondContact O-N 2.61Å; I526-K528 PolarHBondContact O-N 3.04Å
527	A	27.9	Very low	37.5	Very low	93 Å²	93	119 Å²	119	77%	0.769	61%	0.612	S	S	*	*			trans	-62.7	102.4	175.9	0	0	0	0	0	107.5	P525 R529	P525-A527 PolarHBondContact O-N 2.95Å; A527-R529 PolarHBondContact O-N 2.98Å
528	K	26.8	Very low	35	Very low	202 Å²	202	121.1 Å²	121.1	88%	0.878	64%	0.637	S	S	*	*			trans	-59.4	106.3	177.8	-78.1	-176.7	174.4	179.2	0	109.5	I526	I526-K528 PolarHBondContact O-N 3.04Å
529	R	25.1	Very low	33	Very low	222 Å²	222	128.9 Å²	128.9	84%	0.838	68%	0.678	S	S	*	*			trans	50.1	84.3	152.9	-171.3	-169.4	-78.5	-168.6	-6.5	115	A527	A527-R529 PolarHBondContact O-N 2.98Å
530	L	27.2	Very low	31.1	Very low	174 Å²	174	133.4 Å²	133.4	91%	0.911	71%	0.707	S	S	*	*			trans	-126.7	140.2	139.1	-74.3	178	0	0	0	108.4
531	T	29.5	Very low	29.8	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	74%	0.738	S	S	*	*			trans	-119.6	-173.4	-169.5	63.1	0	0	0	0	109.7
532	P	31.4	Very low	28.6	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	75%	0.751	S	S	*	*				-128.6	136.1	-104.3	32.6	-11.9	0	0	0	115.7
533	T	30.8	Very low	28.4	Very low	136 Å²	136	139 Å²	139	83%	0.834	76%	0.76	S	S	*	*			trans	-156.2	149.9	173.6	43.4	0	0	0	0	111.2
534	T	29.8	Very low	28.1	Very low	100 Å²	100	142 Å²	142	61%	0.613	77%	0.765	S	S	*	*			cis	-157.6	157.8	-33.6	-43.1	0	0	0	0	107.5
535	Y	32	Very low	28	Very low	210 Å²	210	140.8 Å²	140.8	82%	0.824	76%	0.763	S	S	*	*			trans	68.3	155.4	167.1	-62	-74.9	0	0	0	118.7
536	S	26.2	Very low	27.9	Very low	80 Å²	80	142 Å²	142	56%	0.559	76%	0.764	S	S	*	*			cis	-177.3	165.3	-39.3	58.2	0	0	0	0	110.7
537	R	30.8	Very low	27.9	Very low	244 Å²	244	141.1 Å²	141.1	92%	0.921	76%	0.761	S	S	*	*			trans	69.7	127.5	166	-60.3	173.3	174.4	170.7	-2.6	115.7
538	G	25.8	Very low	27.8	Very low	65 Å²	65	142.3 Å²	142.3	67%	0.67	76%	0.758	S	S	*	*			cis	118.9	130.7	-10.4	0	0	0	0	0	114.5
539	L	28.4	Very low	27.6	Very low	167 Å²	167	138.6 Å²	138.6	87%	0.874	75%	0.752	S	S	*	*			trans	174.2	82.3	165.4	-100	162.1	0	0	0	105.1
540	T	24.6	Very low	27.8	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	75%	0.752	S	S	*	*				62.7	102	58	74.5	0	0	0	0	115.4
541	C	26	Very low	27.5	Very low	125 Å²	125	134.1 Å²	134.1	85%	0.845	75%	0.748	S	S	*	*			trans	-140.3	150.8	133.4	-153.9	0	0	0	0	108.9
542	M	21	Very low	27.8	Very low	158 Å²	158	133 Å²	133	78%	0.778	74%	0.743	S	S	*	*			trans	-164.8	174.9	-162.1	-75.8	-87.8	73.7	0	0	106.7
543	P	36.5	Very low	27.6	Very low	80 Å²	80	133.5 Å²	133.5	52%	0.519	74%	0.744	S	S	.	*			cis	-134.4	-158.8	-27.8	29.3	-5.7	0	0	0	111.5
544	E	26.7	Very low	27.3	Very low	164 Å²	164	134.3 Å²	134.3	77%	0.766	74%	0.743	S	S	*	*			trans	64.1	143.9	140.9	-81.2	145.7	-128.3	0	0	121.3
545	T	26.5	Very low	27.2	Very low	106 Å²	106	136.2 Å²	136.2	65%	0.65	75%	0.745	S	S	*	*			cis	-161.5	158.4	-21.7	5.9	0	0	0	0	111.6
546	D	25.7	Very low	27.1	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	75%	0.745	S	S	*	*			trans	63.8	135.8	144.7	-52.8	-23	0	0	0	126.1
547	D	26.8	Very low	27	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	75%	0.749	S	S	*	*			trans	89	106.8	139	-75.4	1.1	0	0	0	127
548	V	25.3	Very low	26.6	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.715	74%	0.737	S	S	*	*				88.5	104.5	121.7	173.6	0	0	0	0	122
549	V	24.3	Very low	26.6	Very low	124 Å²	124	133.7 Å²	133.7	75%	0.752	74%	0.739	S	S	*	*			trans	66	112.8	138.6	178.2	0	0	0	0	121.4
550	T	29.2	Very low	26.4	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	73%	0.73	S	S	*	*				-161.7	164.3	116.8	-3.4	0	0	0	0	113.2
551	M	21.1	Very low	26.3	Very low	167 Å²	167	134.8 Å²	134.8	82%	0.823	73%	0.729	S	S	*	*			trans	-135.8	178.5	175.7	-75.7	-73.3	-67.1	0	0	107.9
552	P	34.1	Very low	26.1	Very low	96 Å²	96	135.6 Å²	135.6	62%	0.623	72%	0.724	S	S	*	*			cis	-129.2	-179.4	-17.6	35.9	-18.5	0	0	0	113.5
553	T	28.5	Very low	26.4	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	72%	0.721	S	S	*	*				169.4	147.8	121.6	33.8	0	0	0	0	114.6
554	N	24.8	Very low	25.8	Very low	153 Å²	153	136 Å²	136	82%	0.818	74%	0.736	S	S	*	*			trans	7.5	150.9	156.2	-54.9	-8.1	0	0	0	121.4
555	E	27.5	Very low	25.7	Very low	139 Å²	139	132.1 Å²	132.1	65%	0.65	72%	0.723	S	S	*	*			cis	-146.3	163.3	25.7	-76.2	-169.4	-179.8	0	0	114.2
556	R	28.8	Very low	25.7	Very low	218 Å²	218	129.4 Å²	129.4	82%	0.823	71%	0.707	S	S	*	*			trans	62.9	151.9	156.4	-70.1	170.4	-143.1	-154.1	3.9	119.4
557	S	24.3	Very low	25.7	Very low	94 Å²	94	124.9 Å²	124.9	66%	0.657	68%	0.684	S	S	*	*			cis	-165.9	156.1	-27.7	55.6	0	0	0	0	111.6
558	S	23.5	Very low	25.6	Very low	94 Å²	94	119.3 Å²	119.3	66%	0.657	66%	0.657	S	S	*	*			trans	66.6	116.8	140.8	63.3	0	0	0	0	123.3
559	I	24.5	Very low	25.7	Very low	141 Å²	141	115.7 Å²	115.7	72%	0.723	64%	0.639	S	S	*	*				97.1	111.7	116.2	-73.9	175.6	0	0	0	122.1
560	H	24.2	Very low	25.9	Very low	147 Å²	147	114.2 Å²	114.2	68%	0.681	63%	0.634	S	S	*	*			trans	89.1	132.5	134.7	-75.6	3.9	0	0	0	126.3
561	F	22.3	Very low	25.8	Very low	161 Å²	161	112.2 Å²	112.2	71%	0.706	61%	0.614	S	S	*	*			trans	58.2	114.7	132.9	-75	-124	0	0	0	119.7
562	L	22.6	Very low	26.1	Very low	142 Å²	142	106.6 Å²	106.6	74%	0.743	59%	0.589	S	S	*	*				80.7	164.4	82	-78.2	166.6	0	0	0	113.8
563	P	26.5	Very low	25.7	Very low	111 Å²	111	109 Å²	109	72%	0.721	59%	0.586	S	S	*	*				-119.4	-179.1	-76.8	34.7	-17.1	0	0	0	113.5
564	V	24.9	Very low	25.6	Very low	137 Å²	137	108.3 Å²	108.3	83%	0.83	58%	0.577	S	S	*	*			trans	-109	123.7	177.4	176	0	0	0	0	111.7
565	T	23.9	Very low	25.7	Very low	81 Å²	81	105.8 Å²	105.8	50%	0.497	56%	0.564	S	S	.	*			trans	-91.4	160	158.4	45.5	0	0	0	0	108.2	Q629	T565-Q629 PolarHBondContact OG1-OE1 2.85Å
566	T	25.9	Very low	25.7	Very low	49 Å²	49	104.9 Å²	104.9	30%	0.301	56%	0.564	S	S	.	*			cis	-155.2	119.3	46.3	54.1	0	0	0	0	115.4	Y712	T566-Y712 VanDerWaalsContact CG2-C 3.43Å; T566-Y712 WeakPolarHBondContact CG2-O 3.21Å
567	T	27	Very low	25.7	Very low	42 Å²	42	98.9 Å²	98.9	26%	0.258	56%	0.555	S	S	.	*				54.7	121.1	127.3	65.4	0	0	0	0	120.4	P713 R820	T567-P713 PolarHBondContact OG1-O 3.22Å; T567-P713 VanDerWaalsContact OG1-O 3.08Å; T567-R820 PolarHBondContact OG1-NH1 2.81Å
568	S	25.2	Very low	25.9	Very low	30 Å²	30	102 Å²	102	21%	0.21	56%	0.559	C	S	.	*			cis	-137.4	146.6	5.3	-85.3	0	0	0	0	113.6	T813 S816	S568-T813 WeakPolarHBondContact O-CG2 3.14Å; S568-S816 WeakPolarHBondContact CB-OG 3.05Å; S568-S816 PolarHBondContact OG-OG 2.81Å
569	A	26.9	Very low	26.1	Very low	42 Å²	42	102.4 Å²	102.4	35%	0.347	56%	0.561	S	S	.	*			trans	26.1	141.7	169	0	0	0	0	0	121	P812 T813	A569-P812 HydrophobicContact CB-CB 4.28Å; A569-P812 HydrophobicContact CB-CG 4.05Å; A569-T813 WeakPolarHBondContact CB-OG1 3.33Å; A569-T813 PolarHBondContact O-OG1 2.8Å
570	S	27.6	Very low	26.1	Very low	92 Å²	92	103.1 Å²	103.1	64%	0.643	56%	0.562	S	S	*	*			trans	-147.4	91.8	155	-70.3	0	0	0	0	107.7	I809	S570-I809 WeakPolarHBondContact CA-O 3.17Å; S570-I809 WeakPolarHBondContact OG-CG2 3.3Å
571	F	28.2	Very low	26.2	Very low	95 Å²	95	102.3 Å²	102.3	42%	0.417	56%	0.562	S	S	.	*			trans	-50.4	157.4	178	-135.1	0.9	0	0	0	113.1	K808 I809 P812	F571-K808 VanDerWaalsContact CB-C 3.5Å; F571-K808 WeakPolarHBondContact CB-O 3.38Å; F571-K808 VanDerWaalsContact CD2-O 3.26Å; F571-K808 WeakPolarHBondContact CD2-O 3.37Å; F571-I809 PolarHBondContact N-O 3.47Å; F571-I809 WeakPolarHBondContact O-CG1 3.37Å; F571-P812 HydrophobicContact CB-CG 3.57Å; F571-P812 HydrophobicContact CD1-CG 4.2Å; F571-P812 HydrophobicContact CD2-CB 4.33Å; F571-P812 VanDerWaalsContact CD2-CD 3.49Å; F571-P812 HydrophobicContact CD2-CG 3.57Å; F571-P812 HydrophobicContact CE2-CB 4.49Å; F571-P812 HydrophobicContact CE2-CG 4.19Å; F571-P812 HydrophobicContact CG-CB 4.46Å; F571-P812 HydrophobicContact CG-CG 3.54Å
572	V	27.3	Very low	26.5	Very low	49 Å²	49	102.2 Å²	102.2	30%	0.297	57%	0.569	S	S	.	*			trans	73	138	141.4	149.5	0	0	0	0	117.3	K808	V572-K808 HydrophobicContact CB-CB 3.81Å; V572-K808 HydrophobicContact CB-CG 4.31Å; V572-K808 HydrophobicContact CG1-CB 3.5Å; V572-K808 HydrophobicContact CG1-CD 3.44Å; V572-K808 VanDerWaalsContact CG1-CD 3.44Å; V572-K808 HydrophobicContact CG1-CG 3.74Å; V572-K808 HydrophobicContact CG2-CB 4.05Å; V572-K808 HydrophobicContact CG2-CG 4.2Å
573	R	26.3	Very low	26.6	Very low	147 Å²	147	100.6 Å²	100.6	56%	0.555	57%	0.57	S	S	*	*			cis	-131.4	159.7	-16.6	-88.9	-135.9	148.3	133	9.1	105.9	D575	R573-D575 WeakPolarHBondContact CD-OD2 3.4Å
574	D	25.8	Very low	27.1	Very low	111 Å²	111	99.9 Å²	99.9	59%	0.594	57%	0.565	S	S	*	*				50.6	151.1	59.2	-1.8	-36.9	0	0	0	110.4
575	D	27.4	Very low	27.2	Very low	99 Å²	99	100.5 Å²	100.5	53%	0.529	56%	0.564	S	S	.	*			cis	-134.5	128.5	17.8	-86	-70.3	0	0	0	109.8	R573	R573-D575 WeakPolarHBondContact CD-OD2 3.4Å
576	N	27	Very low	27.4	Very low	121 Å²	121	104.1 Å²	104.1	65%	0.647	58%	0.58	S	S	*	*			trans	64.9	-178.4	131.1	-50.2	-25.1	0	0	0	115.3
577	S	27.7	Very low	27.6	Very low	91 Å²	91	108.8 Å²	108.8	64%	0.636	60%	0.603	S	S	*	*			cis	-152.9	137.6	13.6	-35.5	0	0	0	0	113.6
578	H	28.3	Very low	27.8	Very low	160 Å²	160	114.6 Å²	114.6	74%	0.741	63%	0.627	S	S	*	*			trans	58.6	169.7	138.5	-51.4	-34.2	0	0	0	116.9
579	S	28.1	Very low	27.9	Very low	102 Å²	102	118.2 Å²	118.2	71%	0.713	65%	0.652	S	S	*	*			cis	-133.1	143.6	2.5	-50.1	0	0	0	0	112.1
580	Q	25.5	Very low	27.9	Very low	156 Å²	156	122 Å²	122	73%	0.729	67%	0.671	S	S	*	*			trans	-3.7	154.5	132.8	-46.9	176.4	-59.9	0	0	119.2
581	N	25.7	Very low	28	Very low	130 Å²	130	123.6 Å²	123.6	70%	0.695	68%	0.677	S	S	*	*			trans	76.7	134.2	158.8	-44.9	-37.1	0	0	0	114.6
582	N	28.2	Very low	27.9	Very low	159 Å²	159	125.3 Å²	125.3	85%	0.85	70%	0.7	S	S	*	*			cis	-129.9	158.3	33.1	-67	-55.6	0	0	0	116.3
583	S	26.3	Very low	27.9	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	72%	0.719	S	S	*	*			trans	-57.8	177.4	150.1	-88.2	0	0	0	0	113.5
584	P	35.4	Very low	28	Very low	96 Å²	96	127.6 Å²	127.6	62%	0.623	74%	0.735	S	S	*	*			cis	-143	-165.1	-32.6	40	-21.3	0	0	0	113.5
585	D	28.3	Very low	27.9	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	75%	0.746	S	S	*	*			trans	68.3	140.4	143.8	-61.4	-22.7	0	0	0	123.3	L587	D585-L587 PolarHBondContact O-N 2.81Å
586	D	28.1	Very low	28.3	Very low	157 Å²	157	130.3 Å²	130.3	84%	0.84	76%	0.756	S	S	*	*			trans	-63.2	119	156	-78.8	-61.5	0	0	0	110.5
587	L	30.5	Very low	28.2	Very low	146 Å²	146	129.7 Å²	129.7	76%	0.764	76%	0.761	S	S	*	*				172.6	130.8	112.3	-88.7	162.3	0	0	0	113.5	D585	D585-L587 PolarHBondContact O-N 2.81Å
588	Q	30.9	Very low	28.3	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	76%	0.763	S	S	*	*			trans	68.3	95.4	148.4	-62.5	178.8	10	0	0	121.1
589	S	26.8	Very low	28.3	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	76%	0.764	S	S	*	*				101.7	140.1	112.4	74.9	0	0	0	0	122.6
590	T	27.4	Very low	28.4	Very low	121 Å²	121	132.5 Å²	132.5	74%	0.742	77%	0.77	S	S	*	*			trans	72.4	104.9	153.5	41.2	0	0	0	0	122.9
591	T	29.7	Very low	28.4	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	77%	0.772	S	S	*	*				91.5	119.2	125	-51.5	0	0	0	0	121
592	C	25.6	Very low	28.4	Very low	132 Å²	132	128.9 Å²	128.9	89%	0.892	77%	0.772	S	S	*	*			trans	29.4	141	153.1	-55.3	0	0	0	0	122.1
593	G	26.3	Very low	28.4	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	77%	0.765	S	S	*	*			cis	159.5	-174.2	-0.6	0	0	0	0	0	112.8
594	I	29	Very low	28.5	Very low	176 Å²	176	127.8 Å²	127.8	90%	0.903	77%	0.771	S	S	*	*			trans	85.1	143.5	166	-52.1	172.8	0	0	0	118
595	N	23.8	Very low	28.3	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	78%	0.779	S	S	*	*			trans	-104.4	-158	179.7	-65.2	-45.1	0	0	0	111
596	P	35.3	Very low	28.3	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	78%	0.78	S	S	*	*			cis	-142.3	-173.1	-10.2	42.4	-22.5	0	0	0	117.6
597	S	26.5	Very low	28.5	Very low	108 Å²	108	125 Å²	125	76%	0.755	78%	0.777	S	S	*	*			trans	82.6	157.7	144.4	86.8	0	0	0	0	120
598	V	29.7	Very low	28.4	Very low	111 Å²	111	124.1 Å²	124.1	67%	0.673	78%	0.784	S	S	*	*			cis	-166.4	154.9	-0	99	0	0	0	0	115.7
599	Q	27.8	Very low	28.3	Very low	166 Å²	166	122.1 Å²	122.1	78%	0.776	79%	0.788	S	S	*	*			trans	62.3	162.4	156.8	-70.2	165.3	10.3	0	0	121.7
600	T	29.4	Very low	28.8	Very low	136 Å²	136	121.9 Å²	121.9	83%	0.834	79%	0.786	S	S	*	*			cis	-153.8	-174.9	4.4	-6.8	0	0	0	0	114
601	S	26.1	Very low	29.7	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	79%	0.789	S	S	*	*			trans	-136.9	-167.4	-173.2	61.4	0	0	0	0	113.7
602	S	25.9	Very low	30.7	Very low	98 Å²	98	117.4 Å²	117.4	69%	0.685	76%	0.763	S	S	*	*			cis	-169.8	157.4	11.6	54.9	0	0	0	0	116.3
603	S	27.1	Very low	32.1	Very low	101 Å²	101	114.9 Å²	114.9	71%	0.706	75%	0.745	S	S	*	*			trans	74.6	142.1	142.7	75.5	0	0	0	0	125.9
604	T	29.5	Very low	34	Very low	145 Å²	145	114 Å²	114	89%	0.89	73%	0.728	S	S	*	*				169.3	179.1	127.6	39.9	0	0	0	0	114.3
605	S	29.8	Very low	36.1	Very low	114 Å²	114	105.7 Å²	105.7	80%	0.797	69%	0.685	S	S	*	*			trans	-156.1	153.9	-150	59.7	0	0	0	0	119
606	S	29	Very low	38.8	Very low	117 Å²	117	98.6 Å²	98.6	82%	0.818	65%	0.648	S	S	*	*			trans	159.4	174.7	148.6	46.7	0	0	0	0	112.6
607	S	32.1	Very low	41	Very low	112 Å²	112	93.3 Å²	93.3	78%	0.783	61%	0.613	S	S	*	*				-176.2	132.6	-60.9	58.4	0	0	0	0	110.6
608	S	28.1	Very low	43.8	Very low	129 Å²	129	88.3 Å²	88.3	90%	0.902	58%	0.578	S	S	*	*			trans	-159.7	172	169.9	63.6	0	0	0	0	115.5
609	S	29.8	Very low	46.5	Very low	122 Å²	122	83 Å²	83	85%	0.853	55%	0.546	S	S	*	.			trans	-74.9	148	-160.3	52.4	0	0	0	0	117.7
610	S	37	Very low	49.2	Very low	101 Å²	101	75.2 Å²	75.2	71%	0.706	51%	0.51	S	S	*	.			trans	-105.3	128.1	171.5	51.3	0	0	0	0	113.8
611	S	45.8	Very low	51.7	Low	115 Å²	115	71.6 Å²	71.6	80%	0.804	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-83	143.2	151.3	48.9	0	0	0	0	109
612	T	51.5	Low	54	Low	37 Å²	37	68.2 Å²	68.2	23%	0.227	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-92	128	178	11.3	0	0	0	0	109.1	Y495 Y520 P662	Y495-T612 HydrophobicContact CE1-CG2 4.17Å; Y495-T612 VanDerWaalsContact OH-CG2 3.3Å; Y495-T612 WeakPolarHBondContact OH-CG2 3.33Å; Y520-T612 WeakPolarHBondContact OH-CB 3.29Å; Y520-T612 PolarHBondContact OH-O 2.83Å; Y520-T612 PolarHBondContact OH-OG1 3.35Å; T612-P662 HydrophobicContact CG2-CB 4.3Å
613	P	55.7	Low	55.9	Low	79 Å²	79	69.4 Å²	69.4	51%	0.513	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-75.7	156.6	-175.8	29.3	-34.8	0	0	0	112.3
614	P	65.4	Low	57.4	Low	51 Å²	51	71.3 Å²	71.3	33%	0.331	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-59.2	155.6	165.9	29	-35.7	0	0	0	110	E637 T639	P614-E637 HydrophobicContact CG-CG 4.49Å; P614-T639 HydrophobicContact CB-CG2 4.16Å
615	S	73.2	Confident	58.3	Low	1 Å²	1	69.6 Å²	69.6	1%	0.007	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	155.3	-174.6	-58.8	0	0	0	0	110.9	V518 E637 T638 T660 A661 P662	V518-S615 WeakPolarHBondContact CG1-OG 3.22Å; S615-E637 CarbonylContact O-C 3.6Å; S615-E637 WeakPolarHBondContact O-CA 3.4Å; S615-T638 WeakPolarHBondContact CB-O 3.23Å; S615-T638 PolarHBondContact N-O 3.06Å; S615-T638 VanDerWaalsContact N-O 3.09Å; S615-T638 PolarHBondContact O-N 3.15Å; S615-T638 VanDerWaalsContact O-O 3.13Å; S615-T660 CarbonylContact C-O 3.58Å; S615-T660 WeakPolarHBondContact CA-O 3.35Å; S615-T660 WeakPolarHBondContact CB-O 3.21Å; S615-A661 WeakPolarHBondContact OG-CA 3.21Å; S615-P662 WeakPolarHBondContact OG-CD 3.22Å
616	S	80.9	Confident	59.3	Low	5 Å²	5	70.4 Å²	70.4	4%	0.035	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.8	-177.4	70.7	0	0	0	0	113.1	Y635 V636 I659 T660 Y712	S616-Y635 VanDerWaalsContact CB-OH 3.31Å; S616-Y635 WeakPolarHBondContact CB-OH 3.44Å; S616-V636 CarbonylContact C-O 3.57Å; S616-V636 VanDerWaalsContact CA-O 3.24Å; S616-V636 WeakPolarHBondContact CA-O 3.12Å; S616-I659 VanDerWaalsContact O-CA 3.26Å; S616-I659 WeakPolarHBondContact O-CA 3.49Å; S616-I659 WeakPolarHBondContact O-CG2 3.35Å; S616-T660 PolarHBondContact N-O 3.48Å; S616-T660 PolarHBondContact O-N 3.08Å; S616-T660 VanDerWaalsContact O-N 3.16Å; S616-T660 PolarHBondContact OG-OG1 3.03Å; S616-Y712 PolarHBondContact OG-OH 3.15Å
617	L	81.9	Confident	60.4	Low	1 Å²	1	70.5 Å²	70.5	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.3	163	157.5	68.7	0	0	0	107.4	I514 L516 I619 V636 L657 I659	I514-L617 HydrophobicContact CG2-CD2 3.75Å; L516-L617 HydrophobicContact CB-CB 4.13Å; L516-L617 HydrophobicContact CB-CD2 4Å; L516-L617 HydrophobicContact CD2-CB 3.64Å; L516-L617 HydrophobicContact CG-CB 4.29Å; L617-I619 HydrophobicContact CD1-CG1 4.4Å; L617-V636 HydrophobicContact CB-CB 4.32Å; L617-V636 PolarHBondContact N-O 3.21Å; L617-V636 PolarHBondContact O-N 2.99Å; L617-V636 VanDerWaalsContact O-O 3.12Å; L617-L657 HydrophobicContact CD1-CB 3.67Å; L617-L657 HydrophobicContact CD1-CD2 4.18Å; L617-L657 HydrophobicContact CD1-CG 4.37Å; L617-I659 HydrophobicContact CB-CG1 4.35Å; L617-I659 HydrophobicContact CD1-CD1 4.07Å; L617-I659 HydrophobicContact CD1-CG1 3.83Å
618	L	84.6	Confident	61.5	Low	3 Å²	3	70.4 Å²	70.4	2%	0.016	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.7	171.3	177.6	72.9	0	0	0	111	P632 K634 Y635 L657 L658 T711 Y712	L618-P632 HydrophobicContact CD1-CB 4.06Å; L618-K634 WeakPolarHBondContact CA-O 3.4Å; L618-K634 WeakPolarHBondContact CD1-O 3.32Å; L618-Y635 HydrophobicContact CB-CD2 3.73Å; L618-Y635 HydrophobicContact CB-CE2 4.26Å; L618-Y635 HydrophobicContact CD1-CD2 3.58Å; L618-Y635 HydrophobicContact CD1-CG 4.12Å; L618-Y635 HydrophobicContact CD2-CD2 4.34Å; L618-Y635 HydrophobicContact CG-CD2 4.02Å; L618-L657 WeakPolarHBondContact O-CA 3.43Å; L618-L658 PolarHBondContact N-O 2.9Å; L618-L658 VanDerWaalsContact N-O 3.09Å; L618-L658 PolarHBondContact O-N 3.31Å; L618-T711 HydrophobicContact CB-CG2 3.77Å; L618-T711 HydrophobicContact CD2-CG2 3.53Å; L618-T711 HydrophobicContact CG-CG2 3.44Å; L618-T711 VanDerWaalsContact CG-CG2 3.44Å; L618-T711 VanDerWaalsContact O-CG2 3.28Å; L618-T711 WeakPolarHBondContact O-CG2 3.32Å; L618-Y712 HydrophobicContact CB-CD1 4.12Å; L618-Y712 HydrophobicContact CB-CE1 4.06Å; L618-Y712 HydrophobicContact CD2-CD1 3.46Å; L618-Y712 VanDerWaalsContact CD2-CD1 3.46Å; L618-Y712 HydrophobicContact CD2-CE1 4.23Å; L618-Y712 HydrophobicContact CD2-CG 4.14Å; L618-Y712 HydrophobicContact CG-CD1 4.46Å
619	I	85.6	Confident	62.8	Low	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.7	-180	-46.5	-166.5	0	0	0	111.2	I514 L617 P632 I633 K634 I644 L646 Y655 K656 L657	I514-I619 HydrophobicContact CD1-CD1 3.47Å; I514-I619 VanDerWaalsContact CD1-CD1 3.47Å; L617-I619 HydrophobicContact CD1-CG1 4.4Å; I619-P632 CarbonylContact O-C 3.54Å; I619-I633 HydrophobicContact CG2-CD1 4.15Å; I619-I633 PolarHBondContact O-N 3.34Å; I619-K634 PolarHBondContact N-O 3.42Å; I619-K634 PolarHBondContact O-N 2.95Å; I619-I644 HydrophobicContact CD1-CD1 3.66Å; I619-I644 HydrophobicContact CG1-CD1 4.37Å; I619-L646 HydrophobicContact CD1-CD1 4.12Å; I619-Y655 HydrophobicContact CG2-CD1 4.07Å; I619-Y655 HydrophobicContact CG2-CD2 4.19Å; I619-Y655 HydrophobicContact CG2-CG 3.56Å; I619-K656 WeakPolarHBondContact CA-O 3.35Å; I619-L657 HydrophobicContact CB-CD2 4.48Å; I619-L657 HydrophobicContact CD1-CD2 3.67Å; I619-L657 HydrophobicContact CG1-CD2 3.69Å; I619-L657 HydrophobicContact CG2-CD2 4.24Å
620	E	85.9	Confident	64.3	Low	2 Å²	2	62.7 Å²	62.7	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	167.1	164	-68	167.8	-169.3	0	0	111.1	Q629 G630 D631 P632 Y655 T710 T711 Y712	E620-Q629 PolarHBondContact OE1-NE2 3.42Å; E620-Q629 WeakPolarHBondContact OE2-CG 3.33Å; E620-G630 WeakPolarHBondContact CG-O 3.48Å; E620-G630 WeakPolarHBondContact OE2-CA 3.31Å; E620-G630 PolarHBondContact OE2-N 2.89Å; E620-D631 VanDerWaalsContact CA-O 3.24Å; E620-D631 WeakPolarHBondContact CA-O 3.44Å; E620-D631 WeakPolarHBondContact CB-O 3.4Å; E620-P632 VanDerWaalsContact CG-CA 3.48Å; E620-P632 HydrophobicContact CG-CB 3.86Å; E620-Y655 WeakPolarHBondContact O-CB 3.13Å; E620-Y655 WeakPolarHBondContact O-CD1 3.15Å; E620-T710 WeakPolarHBondContact CB-O 3.37Å; E620-T710 VanDerWaalsContact CB-OG1 3.27Å; E620-T710 WeakPolarHBondContact CB-OG1 3.19Å; E620-T710 PolarHBondContact N-O 3.22Å; E620-T710 WeakPolarHBondContact OE2-CB 3.44Å; E620-T711 HydrophobicContact CB-CG2 4.32Å; E620-T711 VanDerWaalsContact CD-C 3.42Å; E620-T711 HydrophobicContact CG-CG2 4.09Å; E620-T711 WeakPolarHBondContact OE1-CA 3.46Å; E620-T711 WeakPolarHBondContact OE2-CA 3.46Å; E620-T711 PolarHBondContact OE2-N 2.7Å; E620-Y712 PolarHBondContact OE1-N 2.74Å
621	T	80.8	Confident	65.9	Low	59 Å²	59	64 Å²	64	36%	0.362	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.7	173.1	44.2	0	0	0	0	114	G630 D631 I633 Y655 T710	T621-G630 VanDerWaalsContact O-CA 3.29Å; T621-G630 WeakPolarHBondContact O-CA 3.44Å; T621-D631 PolarHBondContact N-O 3.38Å; T621-D631 PolarHBondContact OG1-N 3.34Å; T621-I633 HydrophobicContact CG2-CD1 3.6Å; T621-I633 HydrophobicContact CG2-CG1 4Å; T621-Y655 HydrophobicContact CG2-CE1 4.26Å; T621-T710 PolarHBondContact O-OG1 2.68Å
622	Y	74.3	Confident	67.2	Low	40 Å²	40	61.9 Å²	61.9	16%	0.157	33%	0.333	C	S	.	.			trans	-107.2	162.5	167	-165.3	-131.8	0	0	0	115.5	W624 K626 S627 C654 G708 I709 T710	Y622-W624 HydrophobicContact CD1-CB 4.32Å; Y622-K626 WeakPolarHBondContact CE2-O 3.29Å; Y622-K626 VanDerWaalsContact CZ-O 3.25Å; Y622-K626 PolarHBondContact OH-O 3.32Å; Y622-S627 WeakPolarHBondContact OH-CA 3.39Å; Y622-S627 PolarHBondContact OH-N 3.1Å; Y622-C654 PolarHBondContact N-O 3.23Å; Y622-G708 WeakPolarHBondContact CB-O 3.46Å; Y622-G708 VanDerWaalsContact CD1-C 3.44Å; Y622-G708 WeakPolarHBondContact CD1-O 2.85Å; Y622-I709 WeakPolarHBondContact CB-O 3.35Å; Y622-I709 VanDerWaalsContact CD1-CA 3.49Å; Y622-I709 HydrophobicContact CD1-CB 4.4Å; Y622-I709 HydrophobicContact CD1-CD1 4.19Å; Y622-I709 HydrophobicContact CD2-CB 4.5Å; Y622-I709 HydrophobicContact CD2-CG2 3.9Å; Y622-I709 HydrophobicContact CE1-CB 4.33Å; Y622-I709 HydrophobicContact CE1-CD1 3.37Å; Y622-I709 HydrophobicContact CE1-CG1 4.34Å; Y622-I709 HydrophobicContact CE1-CG2 4.32Å; Y622-I709 HydrophobicContact CE2-CB 4.37Å; Y622-I709 HydrophobicContact CE2-CD1 4.31Å; Y622-I709 HydrophobicContact CE2-CG2 3.55Å; Y622-I709 VanDerWaalsContact CG-CA 3.43Å; Y622-I709 HydrophobicContact CG-CB 4.39Å; Y622-I709 HydrophobicContact CG-CG2 4.28Å; Y622-I709 VanDerWaalsContact CZ-CD1 3.43Å; Y622-I709 WeakPolarHBondContact OH-CD1 3.31Å; Y622-T710 HydrophobicContact CD2-CG2 3.16Å; Y622-T710 HydrophobicContact CE2-CG2 3.82Å; Y622-T710 HydrophobicContact CG-CG2 3.91Å; Y622-T710 PolarHBondContact N-OG1 2.71Å
623	H	65.8	Low	68.5	Low	123 Å²	123	63.4 Å²	63.4	57%	0.569	34%	0.339	S	S	*	.			trans	-110.4	110.7	154.6	-129.6	-75.7	0	0	0	110.2	N625 K626	H623-N625 PolarHBondContact O-N 3.32Å; H623-K626 HydrophobicContact CB-CB 4.45Å; H623-K626 PolarHBondContact O-N 3.05Å
624	W	59.3	Low	69.7	Low	142 Å²	142	63 Å²	63	54%	0.538	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-11.1	-173.7	57.3	-82.6	0	0	0	117.4	Y622 N707	Y622-W624 HydrophobicContact CD1-CB 4.32Å; W624-N707 HydrophobicContact CB-CB 3.65Å; W624-N707 HydrophobicContact CD2-CB 4.14Å; W624-N707 HydrophobicContact CE3-CB 4.38Å; W624-N707 VanDerWaalsContact CE3-ND2 3.25Å; W624-N707 HydrophobicContact CG-CB 3.83Å
625	N	47.7	Very low	70.5	Confident	109 Å²	109	64.1 Å²	64.1	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	13.5	177.9	-64	-41.8	0	0	0	114.5	H623	H623-N625 PolarHBondContact O-N 3.32Å
626	K	51.1	Low	70.8	Confident	130 Å²	130	64.5 Å²	64.5	57%	0.565	33%	0.329	S	S	*	.			trans	-146.4	108.8	-179.3	-69.1	-173.8	178.7	-179.6	0	112.2	Y622 H623 I628	Y622-K626 WeakPolarHBondContact CE2-O 3.29Å; Y622-K626 VanDerWaalsContact CZ-O 3.25Å; Y622-K626 PolarHBondContact OH-O 3.32Å; H623-K626 HydrophobicContact CB-CB 4.45Å; H623-K626 PolarHBondContact O-N 3.05Å; K626-I628 HydrophobicContact CB-CD1 4.08Å; K626-I628 HydrophobicContact CB-CG1 4.19Å; K626-I628 HydrophobicContact CD-CD1 4.05Å; K626-I628 PolarHBondContact O-N 3.12Å
627	S	52.1	Low	70.5	Confident	119 Å²	119	69 Å²	69	83%	0.832	35%	0.35	S	S	*	.			trans	-69.2	66.6	175.5	-174.7	0	0	0	0	113.3	Y622	Y622-S627 WeakPolarHBondContact OH-CA 3.39Å; Y622-S627 PolarHBondContact OH-N 3.1Å
628	I	55.1	Low	70	Confident	110 Å²	110	69.1 Å²	69.1	56%	0.564	35%	0.351	S	S	*	.			trans	-121.7	136.8	178.1	-56.3	175.7	0	0	0	106.6	K626 T710	K626-I628 HydrophobicContact CB-CD1 4.08Å; K626-I628 HydrophobicContact CB-CG1 4.19Å; K626-I628 HydrophobicContact CD-CD1 4.05Å; K626-I628 PolarHBondContact O-N 3.12Å; I628-T710 WeakPolarHBondContact O-CG2 3.37Å
629	Q	56.2	Low	69.1	Low	71 Å²	71	70 Å²	70	33%	0.332	36%	0.356	S	S	.	.			trans	-65.6	142.4	173.8	-171	176.2	-11	0	0	110.4	T565 E620 T711 Y712	T565-Q629 PolarHBondContact OG1-OE1 2.85Å; E620-Q629 PolarHBondContact OE1-NE2 3.42Å; E620-Q629 WeakPolarHBondContact OE2-CG 3.33Å; Q629-T711 VanDerWaalsContact NE2-C 3.35Å; Q629-T711 PolarHBondContact NE2-O 2.73Å; Q629-Y712 PolarHBondContact NE2-O 3.38Å
630	G	61.5	Low	68.3	Low	19 Å²	19	70.4 Å²	70.4	20%	0.196	36%	0.36	C	S	.	.			trans	-99.4	-171.5	-170	0	0	0	0	0	114.3	E620 T621	E620-G630 WeakPolarHBondContact CG-O 3.48Å; E620-G630 WeakPolarHBondContact OE2-CA 3.31Å; E620-G630 PolarHBondContact OE2-N 2.89Å; T621-G630 VanDerWaalsContact O-CA 3.29Å; T621-G630 WeakPolarHBondContact O-CA 3.44Å
631	D	69.9	Low	67.8	Low	127 Å²	127	72 Å²	72	68%	0.679	37%	0.372	S	S	*	.			trans	-91.4	129.3	176.7	-68.8	-49.4	0	0	0	111.3	E620 T621 I633	E620-D631 VanDerWaalsContact CA-O 3.24Å; E620-D631 WeakPolarHBondContact CA-O 3.44Å; E620-D631 WeakPolarHBondContact CB-O 3.4Å; T621-D631 PolarHBondContact N-O 3.38Å; T621-D631 PolarHBondContact OG1-N 3.34Å; D631-I633 PolarHBondContact O-N 3.14Å
632	P	72.7	Confident	67.8	Low	72 Å²	72	70.4 Å²	70.4	47%	0.468	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	114.4	-172.1	25.7	-32.8	0	0	0	112	L618 I619 E620	L618-P632 HydrophobicContact CD1-CB 4.06Å; I619-P632 CarbonylContact O-C 3.54Å; E620-P632 VanDerWaalsContact CG-CA 3.48Å; E620-P632 HydrophobicContact CG-CB 3.86Å
633	I	78.3	Confident	68.3	Low	68 Å²	68	68.9 Å²	68.9	35%	0.349	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-50.6	-175.4	-43.4	174.6	0	0	0	110.9	I619 T621 D631 L646 Y655	I619-I633 HydrophobicContact CG2-CD1 4.15Å; I619-I633 PolarHBondContact O-N 3.34Å; T621-I633 HydrophobicContact CG2-CD1 3.6Å; T621-I633 HydrophobicContact CG2-CG1 4Å; D631-I633 PolarHBondContact O-N 3.14Å; I633-L646 HydrophobicContact CG2-CD2 4.12Å; I633-Y655 HydrophobicContact CD1-CD1 3.3Å; I633-Y655 HydrophobicContact CD1-CE1 3.25Å; I633-Y655 HydrophobicContact CD1-CG 4.23Å
634	K	82.4	Confident	69.3	Low	72 Å²	72	63.8 Å²	63.8	31%	0.313	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.8	-176.7	-72.3	-158.9	173.4	-169.5	0	112.7	L618 I619 I644 S645 L646	L618-K634 WeakPolarHBondContact CA-O 3.4Å; L618-K634 WeakPolarHBondContact CD1-O 3.32Å; I619-K634 PolarHBondContact N-O 3.42Å; I619-K634 PolarHBondContact O-N 2.95Å; K634-I644 HydrophobicContact CB-CD1 3.64Å; K634-I644 HydrophobicContact CD-CB 3.92Å; K634-I644 HydrophobicContact CD-CD1 3.91Å; K634-I644 HydrophobicContact CD-CG1 4.38Å; K634-I644 HydrophobicContact CD-CG2 4.21Å; K634-I644 HydrophobicContact CG-CD1 4.36Å; K634-S645 WeakPolarHBondContact CE-O 3.33Å; K634-S645 PolarHBondContact NZ-O 2.73Å; K634-L646 HydrophobicContact CD-CD2 3.85Å; K634-L646 HydrophobicContact CG-CD2 4.12Å
635	Y	82.1	Confident	70.5	Confident	73 Å²	73	57.1 Å²	57.1	29%	0.286	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.9	174.6	-170.6	-96.6	0	0	0	110.9	S616 L618 E637 Y712 L714	S616-Y635 VanDerWaalsContact CB-OH 3.31Å; S616-Y635 WeakPolarHBondContact CB-OH 3.44Å; L618-Y635 HydrophobicContact CB-CD2 3.73Å; L618-Y635 HydrophobicContact CB-CE2 4.26Å; L618-Y635 HydrophobicContact CD1-CD2 3.58Å; L618-Y635 HydrophobicContact CD1-CG 4.12Å; L618-Y635 HydrophobicContact CD2-CD2 4.34Å; L618-Y635 HydrophobicContact CG-CD2 4.02Å; Y635-E637 HydrophobicContact CE1-CB 3.78Å; Y635-E637 HydrophobicContact CE1-CG 3.76Å; Y635-E637 VanDerWaalsContact CE1-OE1 3.28Å; Y635-E637 WeakPolarHBondContact CE1-OE1 3.44Å; Y635-E637 VanDerWaalsContact CZ-OE1 3.31Å; Y635-E637 PolarHBondContact OH-OE1 3.34Å; Y635-Y712 HydrophobicContact CE2-CE1 4.3Å; Y635-L714 HydrophobicContact CD1-CD1 3.64Å; Y635-L714 HydrophobicContact CD2-CD1 3.88Å; Y635-L714 HydrophobicContact CE1-CD1 3.41Å; Y635-L714 VanDerWaalsContact CE1-CD1 3.41Å; Y635-L714 HydrophobicContact CE2-CD1 3.72Å; Y635-L714 HydrophobicContact CG-CD1 3.86Å; Y635-L714 VanDerWaalsContact CZ-CD1 3.46Å
636	V	78	Confident	72.4	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.7	173.5	178.9	0	0	0	0	107.3	S616 L617 I644	S616-V636 CarbonylContact C-O 3.57Å; S616-V636 VanDerWaalsContact CA-O 3.24Å; S616-V636 WeakPolarHBondContact CA-O 3.12Å; L617-V636 HydrophobicContact CB-CB 4.32Å; L617-V636 PolarHBondContact N-O 3.21Å; L617-V636 PolarHBondContact O-N 2.99Å; L617-V636 VanDerWaalsContact O-O 3.12Å; V636-I644 HydrophobicContact CG2-CD1 4.14Å; V636-I644 HydrophobicContact CG2-CG1 4.45Å; V636-I644 HydrophobicContact CG2-CG2 3.63Å
637	E	74.8	Confident	73.9	Confident	101 Å²	101	49.8 Å²	49.8	47%	0.472	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.4	163	-126.1	153.6	-127.4	0	0	106.9	P614 S615 Y635	P614-E637 HydrophobicContact CG-CG 4.49Å; S615-E637 CarbonylContact O-C 3.6Å; S615-E637 WeakPolarHBondContact O-CA 3.4Å; Y635-E637 HydrophobicContact CE1-CB 3.78Å; Y635-E637 HydrophobicContact CE1-CG 3.76Å; Y635-E637 VanDerWaalsContact CE1-OE1 3.28Å; Y635-E637 WeakPolarHBondContact CE1-OE1 3.44Å; Y635-E637 VanDerWaalsContact CZ-OE1 3.31Å; Y635-E637 PolarHBondContact OH-OE1 3.34Å
638	T	71.9	Confident	75.3	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	142.7	176.2	-166	0	0	0	0	112.9	D113 L516 V518 S615 G640 S641	D113-T638 WeakPolarHBondContact OD2-CA 3.25Å; D113-T638 WeakPolarHBondContact OD2-CB 3.44Å; D113-T638 PolarHBondContact OD2-OG1 3.09Å; L516-T638 HydrophobicContact CD2-CG2 3.71Å; L516-T638 HydrophobicContact CG-CG2 4.15Å; V518-T638 HydrophobicContact CG2-CG2 3.62Å; S615-T638 WeakPolarHBondContact CB-O 3.23Å; S615-T638 PolarHBondContact N-O 3.06Å; S615-T638 VanDerWaalsContact N-O 3.09Å; S615-T638 PolarHBondContact O-N 3.15Å; S615-T638 VanDerWaalsContact O-O 3.13Å; T638-G640 PolarHBondContact OG1-N 3.1Å; T638-S641 PolarHBondContact OG1-N 3.01Å
639	T	65.4	Low	76.3	Confident	20 Å²	20	43 Å²	43	12%	0.123	24%	0.236	C	C	.	.	S	Bend	trans	-87.8	-15.7	164.3	53	0	0	0	0	112.1	M51 P614	M51-T639 VanDerWaalsContact CE-O 3.31Å; M51-T639 WeakPolarHBondContact CE-O 3.41Å; P614-T639 HydrophobicContact CB-CG2 4.16Å
640	G	69.5	Low	77	Confident	9 Å²	9	45.6 Å²	45.6	9%	0.093	25%	0.246	C	C	.	.	S	Bend	trans	-132.6	-92.4	-164.6	0	0	0	0	0	113.9	S517 V518 T638	S517-G640 WeakPolarHBondContact CA-O 3.29Å; V518-G640 PolarHBondContact N-O 2.71Å; T638-G640 PolarHBondContact OG1-N 3.1Å
641	S	74.4	Confident	77.4	Confident	36 Å²	36	47.5 Å²	47.5	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	122.3	-177.2	-67.2	0	0	0	0	112.1	L516 S517 T638	L516-S641 CarbonylContact O-C 3.49Å; L516-S641 VanDerWaalsContact O-CA 3.26Å; L516-S641 WeakPolarHBondContact O-CA 3.4Å; S517-S641 VanDerWaalsContact CB-OG 3.32Å; S517-S641 WeakPolarHBondContact CB-OG 3.36Å; S517-S641 WeakPolarHBondContact OG-CB 3.49Å; S517-S641 PolarHBondContact OG-OG 2.95Å; T638-S641 PolarHBondContact OG1-N 3.01Å
642	S	80.8	Confident	77.6	Confident	26 Å²	26	49 Å²	49	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.3	-173.1	-156.3	0	0	0	0	111.6	D113 Q515 L516	D113-S642 WeakPolarHBondContact OD1-CB 3.2Å; D113-S642 PolarHBondContact OD1-OG 2.94Å; Q515-S642 WeakPolarHBondContact CA-O 3.5Å; L516-S642 PolarHBondContact N-O 2.88Å; L516-S642 PolarHBondContact O-N 2.92Å
643	S	84.6	Confident	77.8	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.7	-176	88.6	0	0	0	0	117.3	I124 K125 H126 I514	I124-S643 VanDerWaalsContact CG2-OG 3.24Å; I124-S643 WeakPolarHBondContact CG2-OG 3.4Å; K125-S643 VanDerWaalsContact C-OG 3.26Å; K125-S643 PolarHBondContact O-OG 3.33Å; H126-S643 PolarHBondContact ND1-O 2.91Å; I514-S643 VanDerWaalsContact O-CA 3.23Å; I514-S643 WeakPolarHBondContact O-CA 3.48Å; I514-S643 WeakPolarHBondContact O-CB 3.44Å
644	I	86.7	Confident	77.9	Confident	17 Å²	17	45.8 Å²	45.8	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.6	-176.1	57.9	178.4	0	0	0	111.8	H126 I513 I514 I619 K634 V636	H126-I644 WeakPolarHBondContact ND1-CA 3.41Å; I513-I644 CarbonylContact C-O 3.48Å; I513-I644 WeakPolarHBondContact CA-O 3.24Å; I514-I644 HydrophobicContact CB-CG1 4.18Å; I514-I644 PolarHBondContact N-O 2.79Å; I514-I644 PolarHBondContact O-N 3.37Å; I619-I644 HydrophobicContact CD1-CD1 3.66Å; I619-I644 HydrophobicContact CG1-CD1 4.37Å; K634-I644 HydrophobicContact CB-CD1 3.64Å; K634-I644 HydrophobicContact CD-CB 3.92Å; K634-I644 HydrophobicContact CD-CD1 3.91Å; K634-I644 HydrophobicContact CD-CG1 4.38Å; K634-I644 HydrophobicContact CD-CG2 4.21Å; K634-I644 HydrophobicContact CG-CD1 4.36Å; V636-I644 HydrophobicContact CG2-CD1 4.14Å; V636-I644 HydrophobicContact CG2-CG1 4.45Å; V636-I644 HydrophobicContact CG2-CG2 3.63Å
645	S	86.1	Confident	78	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.3	162.5	176.6	0	0	0	0	111.6	H126 Y141 E511 I512 K634	H126-S645 PolarHBondContact CE1-N 2.87Å; Y141-S645 WeakPolarHBondContact OH-CB 3.15Å; Y141-S645 PolarHBondContact OH-OG 3.05Å; E511-S645 WeakPolarHBondContact CG-OG 3.48Å; E511-S645 PolarHBondContact OE1-OG 2.83Å; I512-S645 CarbonylContact O-C 3.58Å; I512-S645 WeakPolarHBondContact O-CA 3.49Å; K634-S645 WeakPolarHBondContact CE-O 3.33Å; K634-S645 PolarHBondContact NZ-O 2.73Å
646	L	86.8	Confident	78	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.1	166	-65.6	174.6	0	0	0	108.4	E511 I512 I514 I619 I633 K634 L648 Y655	E511-L646 WeakPolarHBondContact CA-O 3.42Å; I512-L646 HydrophobicContact CB-CB 4.43Å; I512-L646 PolarHBondContact N-O 2.83Å; I512-L646 PolarHBondContact O-N 2.8Å; I514-L646 HydrophobicContact CD1-CD1 3.87Å; I619-L646 HydrophobicContact CD1-CD1 4.12Å; I633-L646 HydrophobicContact CG2-CD2 4.12Å; K634-L646 HydrophobicContact CD-CD2 3.85Å; K634-L646 HydrophobicContact CG-CD2 4.12Å; L646-L648 HydrophobicContact CB-CD2 4.25Å; L646-Y655 HydrophobicContact CD1-CD2 4.12Å; L646-Y655 HydrophobicContact CD1-CE2 3.92Å
647	L	83.1	Confident	78.4	Confident	76 Å²	76	40.3 Å²	40.3	40%	0.398	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119	174.4	-64.2	-164.6	0	0	0	110.4	Y141 E511 R674	Y141-L647 HydrophobicContact CD2-CD1 3.61Å; Y141-L647 HydrophobicContact CD2-CG 4.31Å; Y141-L647 HydrophobicContact CE2-CD1 3.8Å; Y141-L647 HydrophobicContact CE2-CD2 4.17Å; Y141-L647 HydrophobicContact CE2-CG 3.99Å; E511-L647 HydrophobicContact CB-CD2 4Å; E511-L647 HydrophobicContact CG-CD2 3.65Å; E511-L647 VanDerWaalsContact OE1-CD2 3.24Å; E511-L647 WeakPolarHBondContact OE1-CD2 3.4Å; L647-R674 VanDerWaalsContact CD2-NH2 3.29Å
648	L	81.2	Confident	78.8	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.073	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.8	-171.4	-54.6	-174	0	0	0	110.4	C504 P509 C510 I512 L646 Y653 Y655	C504-L648 HydrophobicContact CB-CD1 4.37Å; P509-L648 CarbonylContact C-O 3.56Å; P509-L648 WeakPolarHBondContact CA-O 3.41Å; C510-L648 PolarHBondContact N-O 3.11Å; C510-L648 PolarHBondContact O-N 2.87Å; I512-L648 HydrophobicContact CD1-CD1 3.52Å; I512-L648 HydrophobicContact CG1-CD1 3.93Å; L646-L648 HydrophobicContact CB-CD2 4.25Å; L648-Y653 HydrophobicContact CB-CD2 4.16Å; L648-Y653 HydrophobicContact CB-CE2 3.77Å; L648-Y653 HydrophobicContact CD1-CD2 3.84Å; L648-Y653 HydrophobicContact CD1-CE2 4.32Å; L648-Y653 HydrophobicContact CD1-CG 4.29Å; L648-Y653 HydrophobicContact CD2-CD2 4.49Å; L648-Y653 HydrophobicContact CG-CD2 4.39Å; L648-Y653 HydrophobicContact CG-CE2 4.42Å; L648-Y655 HydrophobicContact CD1-CE2 4.3Å; L648-Y655 WeakPolarHBondContact CD2-OH 3.28Å
649	P	75.2	Confident	79.3	Confident	74 Å²	74	35.9 Å²	35.9	48%	0.481	19%	0.185	S	C	.	.			trans	-54.3	175.7	162	-25.6	33.1	0	0	0	113.1	S651 Y653	P649-S651 PolarHBondContact O-N 3.23Å; P649-Y653 VanDerWaalsContact CD-OH 3.31Å; P649-Y653 WeakPolarHBondContact CD-OH 3.27Å; P649-Y653 WeakPolarHBondContact O-CE2 3.31Å
650	F	71.4	Confident	80	Confident	124 Å²	124	36.9 Å²	36.9	54%	0.544	19%	0.192	S	C	.	.	S	Bend	trans	-67.6	110.4	168.2	56.2	-85.8	0	0	0	109.3	I507 P509	I507-F650 WeakPolarHBondContact O-CB 3.21Å; P509-F650 HydrophobicContact CG-CD1 4.44Å
651	S	71.2	Confident	80.2	Confident	59 Å²	59	36.9 Å²	36.9	41%	0.413	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-177.3	173.5	-157.9	0	0	0	0	110.9	S506 P649 Y653	S506-S651 PolarHBondContact N-O 3Å; S506-S651 PolarHBondContact O-N 3.18Å; P649-S651 PolarHBondContact O-N 3.23Å; S651-Y653 VanDerWaalsContact CB-CE2 3.49Å; S651-Y653 WeakPolarHBondContact CB-OH 3.38Å
652	R	72.6	Confident	79.8	Confident	158 Å²	158	35.8 Å²	35.8	60%	0.596	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.7	162	-73.3	171.7	176.3	-173.9	-11.5	109.9	C504 D505	C504-R652 WeakPolarHBondContact O-CA 3.48Å; D505-R652 HydrophobicContact CB-CG 4.09Å; D505-R652 WeakPolarHBondContact OD1-CG 3.45Å; D505-R652 IonicContact OD1-CZ 4Å; D505-R652 IonicContact OD1-NE 2.75Å; D505-R652 PolarHBondContact OD1-NE 2.79Å; D505-R652 IonicContact OD1-NH2 3.22Å; D505-R652 IonicContact OD2-CZ 3.35Å; D505-R652 VanDerWaalsContact OD2-CZ 3.25Å; D505-R652 IonicContact OD2-NE 3.06Å; D505-R652 PolarHBondContact OD2-NE 3.38Å; D505-R652 IonicContact OD2-NH2 2.74Å; D505-R652 PolarHBondContact OD2-NH2 2.78Å
653	Y	78.4	Confident	79.1	Confident	60 Å²	60	36.5 Å²	36.5	24%	0.235	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.2	178.1	-60.4	-82.8	0	0	0	110.2	C504 L648 P649 S651 Y655	C504-Y653 PolarHBondContact N-O 2.85Å; C504-Y653 PolarHBondContact O-N 3.4Å; L648-Y653 HydrophobicContact CB-CD2 4.16Å; L648-Y653 HydrophobicContact CB-CE2 3.77Å; L648-Y653 HydrophobicContact CD1-CD2 3.84Å; L648-Y653 HydrophobicContact CD1-CE2 4.32Å; L648-Y653 HydrophobicContact CD1-CG 4.29Å; L648-Y653 HydrophobicContact CD2-CD2 4.49Å; L648-Y653 HydrophobicContact CG-CD2 4.39Å; L648-Y653 HydrophobicContact CG-CE2 4.42Å; P649-Y653 VanDerWaalsContact CD-OH 3.31Å; P649-Y653 WeakPolarHBondContact CD-OH 3.27Å; P649-Y653 WeakPolarHBondContact O-CE2 3.31Å; S651-Y653 VanDerWaalsContact CB-CE2 3.49Å; S651-Y653 WeakPolarHBondContact CB-OH 3.38Å; Y653-Y655 WeakPolarHBondContact CB-OH 3.47Å; Y653-Y655 VanDerWaalsContact CD1-OH 3.31Å; Y653-Y655 WeakPolarHBondContact CD1-OH 3.49Å
654	C	79.2	Confident	78.3	Confident	13 Å²	13	36.3 Å²	36.3	9%	0.088	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126	161.4	-171	0	0	0	0	113.4	L502 F503 Y622 N707 G708	L502-C654 WeakPolarHBondContact O-CA 2.97Å; F503-C654 HydrophobicContact CD1-CB 4.17Å; F503-C654 WeakPolarHBondContact CD1-SG 3.48Å; F503-C654 WeakPolarHBondContact CE1-SG 3.47Å; Y622-C654 PolarHBondContact N-O 3.23Å; C654-N707 VanDerWaalsContact CB-O 3.26Å; C654-N707 WeakPolarHBondContact CB-O 3.43Å; C654-N707 PolarHBondContact SG-O 3.47Å; C654-N707 VanDerWaalsContact SG-O 3.33Å; C654-G708 VanDerWaalsContact CB-O 3.22Å; C654-G708 WeakPolarHBondContact CB-O 3.47Å; C654-G708 PolarHBondContact SG-O 2.95Å
655	Y	83.9	Confident	78	Confident	8 Å²	8	35.8 Å²	35.8	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.7	159.7	13.7	-99.6	0	0	0	116.7	Y501 L502 I619 E620 T621 I633 L646 L648 Y653 I709	Y501-Y655 CarbonylContact C-O 3.55Å; Y501-Y655 VanDerWaalsContact CA-O 3.23Å; Y501-Y655 WeakPolarHBondContact CA-O 3.23Å; L502-Y655 HydrophobicContact CD2-CD2 4.39Å; L502-Y655 PolarHBondContact N-O 2.82Å; L502-Y655 PolarHBondContact O-N 2.9Å; I619-Y655 HydrophobicContact CG2-CD1 4.07Å; I619-Y655 HydrophobicContact CG2-CD2 4.19Å; I619-Y655 HydrophobicContact CG2-CG 3.56Å; E620-Y655 WeakPolarHBondContact O-CB 3.13Å; E620-Y655 WeakPolarHBondContact O-CD1 3.15Å; T621-Y655 HydrophobicContact CG2-CE1 4.26Å; I633-Y655 HydrophobicContact CD1-CD1 3.3Å; I633-Y655 HydrophobicContact CD1-CE1 3.25Å; I633-Y655 HydrophobicContact CD1-CG 4.23Å; L646-Y655 HydrophobicContact CD1-CD2 4.12Å; L646-Y655 HydrophobicContact CD1-CE2 3.92Å; L648-Y655 HydrophobicContact CD1-CE2 4.3Å; L648-Y655 WeakPolarHBondContact CD2-OH 3.28Å; Y653-Y655 WeakPolarHBondContact CB-OH 3.47Å; Y653-Y655 VanDerWaalsContact CD1-OH 3.31Å; Y653-Y655 WeakPolarHBondContact CD1-OH 3.49Å; Y655-I709 CarbonylContact C-O 3.57Å
656	K	82.7	Confident	77.6	Confident	32 Å²	32	37.7 Å²	37.7	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.7	138.7	169.7	-160.3	-173.2	-162.9	0	108.4	V499 H500 Y501 I619 L658 I709 T710 T711	V499-K656 HydrophobicContact CG1-CD 4.04Å; V499-K656 HydrophobicContact CG1-CG 4.05Å; H500-K656 CarbonylContact O-C 3.59Å; H500-K656 WeakPolarHBondContact O-CA 3.35Å; H500-K656 VanDerWaalsContact O-CB 3.28Å; H500-K656 WeakPolarHBondContact O-CB 3.49Å; H500-K656 WeakPolarHBondContact O-CG 3.16Å; Y501-K656 HydrophobicContact CD1-CB 3.7Å; Y501-K656 HydrophobicContact CD1-CD 4.32Å; Y501-K656 HydrophobicContact CD1-CG 3.7Å; Y501-K656 HydrophobicContact CE1-CB 4.15Å; Y501-K656 HydrophobicContact CE1-CD 3.9Å; Y501-K656 HydrophobicContact CE1-CG 3.7Å; I619-K656 WeakPolarHBondContact CA-O 3.35Å; K656-L658 HydrophobicContact CD-CD1 4.21Å; K656-L658 HydrophobicContact CD-CG 4.4Å; K656-I709 HydrophobicContact CB-CB 4.37Å; K656-I709 WeakPolarHBondContact CB-O 3.31Å; K656-I709 HydrophobicContact CD-CB 4.08Å; K656-I709 HydrophobicContact CD-CG2 4.28Å; K656-I709 PolarHBondContact N-O 3.43Å; K656-T710 VanDerWaalsContact CB-O 3.29Å; K656-T710 WeakPolarHBondContact CB-O 3.06Å; K656-T711 VanDerWaalsContact CD-OG1 3.26Å; K656-T711 WeakPolarHBondContact CD-OG1 3.4Å; K656-T711 VanDerWaalsContact CG-OG1 3.29Å; K656-T711 WeakPolarHBondContact CG-OG1 3.24Å; K656-T711 PolarHBondContact O-OG1 3.45Å
657	L	86.1	Confident	77.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	97.4	178.9	-44.3	179.9	0	0	0	104.6	H500 L502 I514 L617 L618 I619 I659 I667 I669 L698	H500-L657 HydrophobicContact CB-CB 4.18Å; H500-L657 PolarHBondContact N-O 2.71Å; H500-L657 VanDerWaalsContact N-O 3.1Å; H500-L657 PolarHBondContact O-N 3.41Å; L502-L657 HydrophobicContact CB-CD1 4.39Å; L502-L657 HydrophobicContact CB-CG 4.41Å; L502-L657 HydrophobicContact CD2-CD1 4.34Å; L502-L657 HydrophobicContact CD2-CD2 4.28Å; I514-L657 HydrophobicContact CD1-CD2 4.38Å; L617-L657 HydrophobicContact CD1-CB 3.67Å; L617-L657 HydrophobicContact CD1-CD2 4.18Å; L617-L657 HydrophobicContact CD1-CG 4.37Å; L618-L657 WeakPolarHBondContact O-CA 3.43Å; I619-L657 HydrophobicContact CB-CD2 4.48Å; I619-L657 HydrophobicContact CD1-CD2 3.67Å; I619-L657 HydrophobicContact CG1-CD2 3.69Å; I619-L657 HydrophobicContact CG2-CD2 4.24Å; L657-I659 HydrophobicContact CB-CD1 4.3Å; L657-I659 HydrophobicContact CB-CG1 4.42Å; L657-I667 HydrophobicContact CD1-CD1 4.05Å; L657-I667 HydrophobicContact CD1-CG2 4.3Å; L657-I669 HydrophobicContact CD1-CD1 4.23Å; L657-L698 HydrophobicContact CD1-CD1 3.78Å
658	L	83.8	Confident	77.6	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.6	168.4	-102.2	157.6	0	0	0	108.5	K498 V499 L618 K656 T711 Y712	K498-L658 WeakPolarHBondContact O-CA 3.42Å; K498-L658 WeakPolarHBondContact O-CD2 3.48Å; V499-L658 HydrophobicContact CG2-CD2 3.64Å; V499-L658 HydrophobicContact CG2-CG 4.03Å; L618-L658 PolarHBondContact N-O 2.9Å; L618-L658 VanDerWaalsContact N-O 3.09Å; L618-L658 PolarHBondContact O-N 3.31Å; K656-L658 HydrophobicContact CD-CD1 4.21Å; K656-L658 HydrophobicContact CD-CG 4.4Å; L658-T711 HydrophobicContact CB-CG2 4.17Å; L658-T711 VanDerWaalsContact CB-OG1 3.28Å; L658-T711 WeakPolarHBondContact CB-OG1 3.46Å; L658-T711 VanDerWaalsContact CD1-CB 3.41Å; L658-T711 WeakPolarHBondContact CD1-O 3.25Å; L658-T711 VanDerWaalsContact CD1-OG1 3.31Å; L658-T711 WeakPolarHBondContact CD1-OG1 3.44Å; L658-T711 WeakPolarHBondContact CG-OG1 3.45Å; L658-T711 PolarHBondContact N-OG1 3.08Å; L658-Y712 HydrophobicContact CB-CD2 3.75Å; L658-Y712 HydrophobicContact CB-CE1 4.48Å; L658-Y712 HydrophobicContact CB-CE2 3.62Å; L658-Y712 HydrophobicContact CB-CG 4.24Å; L658-Y712 HydrophobicContact CD1-CD2 3.68Å; L658-Y712 HydrophobicContact CD1-CE2 4.3Å; L658-Y712 HydrophobicContact CD1-CG 4.23Å; L658-Y712 HydrophobicContact CD2-CD2 3.88Å; L658-Y712 HydrophobicContact CD2-CE2 3.71Å; L658-Y712 HydrophobicContact CG-CD2 3.98Å; L658-Y712 HydrophobicContact CG-CE2 4.09Å
659	I	82.8	Confident	77.9	Confident	2 Å²	2	34 Å²	34	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125	-170.6	-57.9	178.6	0	0	0	109.5	K498 L516 S616 L617 L657 Y665 I667	K498-I659 PolarHBondContact N-O 3.45Å; K498-I659 PolarHBondContact O-N 2.86Å; L516-I659 HydrophobicContact CD1-CD1 4.38Å; L516-I659 HydrophobicContact CD1-CG2 4.14Å; S616-I659 VanDerWaalsContact O-CA 3.26Å; S616-I659 WeakPolarHBondContact O-CA 3.49Å; S616-I659 WeakPolarHBondContact O-CG2 3.35Å; L617-I659 HydrophobicContact CB-CG1 4.35Å; L617-I659 HydrophobicContact CD1-CD1 4.07Å; L617-I659 HydrophobicContact CD1-CG1 3.83Å; L657-I659 HydrophobicContact CB-CD1 4.3Å; L657-I659 HydrophobicContact CB-CG1 4.42Å; I659-Y665 HydrophobicContact CB-CE1 4.45Å; I659-Y665 HydrophobicContact CB-CE2 4.5Å; I659-Y665 HydrophobicContact CD1-CD2 3.97Å; I659-Y665 HydrophobicContact CD1-CE2 3.81Å; I659-Y665 HydrophobicContact CG2-CD1 3.71Å; I659-Y665 HydrophobicContact CG2-CD2 4Å; I659-Y665 HydrophobicContact CG2-CE1 3.93Å; I659-Y665 HydrophobicContact CG2-CE2 4.21Å; I659-Y665 HydrophobicContact CG2-CG 3.75Å; I659-I667 HydrophobicContact CD1-CD1 3.39Å; I659-I667 HydrophobicContact CD1-CG1 3.64Å
660	T	79.4	Confident	78.4	Confident	42 Å²	42	30.5 Å²	30.5	26%	0.258	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.5	167.4	46.5	0	0	0	0	109.3	S615 S616 Y712	S615-T660 CarbonylContact C-O 3.58Å; S615-T660 WeakPolarHBondContact CA-O 3.35Å; S615-T660 WeakPolarHBondContact CB-O 3.21Å; S616-T660 PolarHBondContact N-O 3.48Å; S616-T660 PolarHBondContact O-N 3.08Å; S616-T660 VanDerWaalsContact O-N 3.16Å; S616-T660 PolarHBondContact OG-OG1 3.03Å; T660-Y712 HydrophobicContact CG2-CE2 4.42Å; T660-Y712 WeakPolarHBondContact CG2-OH 3.44Å; T660-Y712 PolarHBondContact N-OH 2.63Å; T660-Y712 PolarHBondContact OG1-OH 3.45Å
661	A	73.8	Confident	78.9	Confident	9 Å²	9	24.6 Å²	24.6	7%	0.074	12%	0.124	C	C	.	.			trans	-149.6	138.1	172.5	0	0	0	0	0	110.2	V518 S615 G664 Y665	V518-A661 HydrophobicContact CG1-CB 3.52Å; S615-A661 WeakPolarHBondContact OG-CA 3.21Å; A661-G664 WeakPolarHBondContact CB-O 3.29Å; A661-Y665 HydrophobicContact CB-CD1 3.91Å
662	P	65.2	Low	79.4	Confident	12 Å²	12	22.8 Å²	22.8	8%	0.078	11%	0.108	C	C	.	.	S	Bend	trans	-73.9	-31.3	-168.4	25.7	-32.6	0	0	0	114.6	Y520 T612 S615	Y520-P662 HydrophobicContact CD2-CG 3.53Å; Y520-P662 HydrophobicContact CE2-CG 3.84Å; Y520-P662 HydrophobicContact CG-CG 4.26Å; T612-P662 HydrophobicContact CG2-CB 4.3Å; S615-P662 WeakPolarHBondContact OG-CD 3.22Å
663	L	66.4	Low	79.4	Confident	42 Å²	42	16.7 Å²	16.7	22%	0.22	9%	0.087	C	C	.	.	S	Bend	trans	-113	-34.5	172.2	-68.7	-174.2	0	0	0	114.2	K492 P493 I519 Q521	K492-L663 CarbonylContact C-O 3.55Å; K492-L663 VanDerWaalsContact C-O 3.31Å; K492-L663 PolarHBondContact N-O 3.37Å; P493-L663 HydrophobicContact CB-CD2 4.27Å; I519-L663 HydrophobicContact CB-CB 4.38Å; I519-L663 HydrophobicContact CG2-CB 4.08Å; I519-L663 HydrophobicContact CG2-CD1 4.26Å; I519-L663 WeakPolarHBondContact O-CB 3.36Å; I519-L663 PolarHBondContact O-N 3.42Å; Q521-L663 HydrophobicContact CB-CD1 3.68Å; Q521-L663 HydrophobicContact CB-CD2 3.96Å; Q521-L663 HydrophobicContact CB-CG 3.73Å; Q521-L663 HydrophobicContact CG-CD1 4.24Å; Q521-L663 HydrophobicContact CG-CD2 4.48Å
664	G	68.2	Low	78.8	Confident	2 Å²	2	15.8 Å²	15.8	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.8	173.3	-172.1	0	0	0	0	0	113.3	N490 V518 I519 A661	N490-G664 CarbonylContact O-C 3.3Å; N490-G664 WeakPolarHBondContact O-CA 3.36Å; V518-G664 VanDerWaalsContact CG1-O 3.3Å; V518-G664 WeakPolarHBondContact CG1-O 3.45Å; I519-G664 WeakPolarHBondContact CB-O 3.26Å; I519-G664 PolarHBondContact N-O 3.42Å; A661-G664 WeakPolarHBondContact CB-O 3.29Å
665	Y	80.3	Confident	77.6	Confident	6 Å²	6	17.2 Å²	17.2	2%	0.024	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.2	-175.8	54.7	-87.4	0	0	0	111.2	S489 N490 K498 H500 L516 S517 I659 A661 I667	S489-Y665 CarbonylContact C-O 3.54Å; S489-Y665 VanDerWaalsContact CA-O 3.31Å; S489-Y665 WeakPolarHBondContact CA-O 3.48Å; N490-Y665 HydrophobicContact CB-CD1 4.26Å; N490-Y665 HydrophobicContact CB-CD2 4.49Å; N490-Y665 HydrophobicContact CB-CE1 3.71Å; N490-Y665 HydrophobicContact CB-CE2 3.96Å; N490-Y665 PolarHBondContact N-O 2.94Å; N490-Y665 PolarHBondContact O-N 2.75Å; K498-Y665 HydrophobicContact CB-CE1 4.34Å; K498-Y665 WeakPolarHBondContact CB-OH 3.49Å; K498-Y665 HydrophobicContact CD-CE1 4.24Å; K498-Y665 WeakPolarHBondContact CD-OH 3.07Å; H500-Y665 AromaticContact CD2-CE2 4Å; H500-Y665 PolarHBondContact CD2-OH 2.81Å; H500-Y665 AromaticContact NE2-CE2 3.47Å; H500-Y665 WeakPolarHBondContact NE2-CE2 3.25Å; H500-Y665 AromaticContact NE2-CZ 3.47Å; H500-Y665 PolarHBondContact NE2-OH 3.5Å; L516-Y665 HydrophobicContact CD1-CG 4.48Å; S517-Y665 CarbonylContact O-C 3.52Å; S517-Y665 WeakPolarHBondContact O-CA 3.28Å; I659-Y665 HydrophobicContact CB-CE1 4.45Å; I659-Y665 HydrophobicContact CB-CE2 4.5Å; I659-Y665 HydrophobicContact CD1-CD2 3.97Å; I659-Y665 HydrophobicContact CD1-CE2 3.81Å; I659-Y665 HydrophobicContact CG2-CD1 3.71Å; I659-Y665 HydrophobicContact CG2-CD2 4Å; I659-Y665 HydrophobicContact CG2-CE1 3.93Å; I659-Y665 HydrophobicContact CG2-CE2 4.21Å; I659-Y665 HydrophobicContact CG2-CG 3.75Å; A661-Y665 HydrophobicContact CB-CD1 3.91Å; Y665-I667 HydrophobicContact CD2-CG1 3.92Å; Y665-I667 HydrophobicContact CE2-CD1 4.21Å; Y665-I667 HydrophobicContact CE2-CG1 4.07Å
666	V	77.6	Confident	75.6	Confident	43 Å²	43	21.5 Å²	21.5	26%	0.261	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.7	171.1	-174.3	0	0	0	0	107.4	T487 Y488 S517	T487-V666 HydrophobicContact CG2-CG1 3.53Å; Y488-V666 CarbonylContact O-C 3.56Å; Y488-V666 VanDerWaalsContact O-CA 3.31Å; Y488-V666 WeakPolarHBondContact O-CA 3.31Å; S517-V666 PolarHBondContact N-O 2.97Å; S517-V666 PolarHBondContact O-N 2.9Å
667	I	85.1	Confident	73.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135	167	-38.3	173.4	0	0	0	107.2	T487 Y488 I514 Q515 L657 I659 Y665 I669 L698	T487-I667 CarbonylContact C-O 3.55Å; T487-I667 VanDerWaalsContact CA-O 3.29Å; T487-I667 WeakPolarHBondContact CA-O 3.37Å; Y488-I667 PolarHBondContact N-O 2.71Å; Y488-I667 PolarHBondContact O-N 3.1Å; I514-I667 HydrophobicContact CG2-CG2 3.89Å; Q515-I667 CarbonylContact O-C 3.46Å; Q515-I667 WeakPolarHBondContact O-CA 3.31Å; L657-I667 HydrophobicContact CD1-CD1 4.05Å; L657-I667 HydrophobicContact CD1-CG2 4.3Å; I659-I667 HydrophobicContact CD1-CD1 3.39Å; I659-I667 HydrophobicContact CD1-CG1 3.64Å; Y665-I667 HydrophobicContact CD2-CG1 3.92Å; Y665-I667 HydrophobicContact CE2-CD1 4.21Å; Y665-I667 HydrophobicContact CE2-CG1 4.07Å; I667-I669 HydrophobicContact CG2-CD1 4.18Å; I667-I669 HydrophobicContact CG2-CG1 3.88Å; I667-L698 HydrophobicContact CD1-CD2 4.15Å
668	T	84.4	Confident	70.6	Confident	18 Å²	18	33.3 Å²	33.3	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	163.8	-65.8	0	0	0	0	109.7	I124 K486 T487 I514 Q515 L670	I124-T668 HydrophobicContact CD1-CG2 4.29Å; K486-T668 CarbonylContact O-C 3.58Å; K486-T668 WeakPolarHBondContact O-CA 3.47Å; T487-T668 WeakPolarHBondContact CG2-OG1 3.38Å; T487-T668 PolarHBondContact OG1-OG1 2.74Å; I514-T668 WeakPolarHBondContact CA-O 3.42Å; Q515-T668 PolarHBondContact N-O 3.3Å; Q515-T668 PolarHBondContact O-N 2.89Å; T668-L670 HydrophobicContact CG2-CD2 4.05Å
669	I	87.4	Confident	68	Low	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119	-173.3	-54.5	-179.4	0	0	0	107.9	V485 K486 L502 I512 I513 I514 L657 I667 V696 L698	V485-I669 WeakPolarHBondContact CA-O 3.34Å; K486-I669 PolarHBondContact N-O 2.83Å; K486-I669 PolarHBondContact O-N 3.24Å; L502-I669 HydrophobicContact CD1-CD1 3.77Å; L502-I669 HydrophobicContact CD1-CG2 4.37Å; L502-I669 HydrophobicContact CD2-CD1 4.09Å; L502-I669 HydrophobicContact CG-CD1 4.49Å; I512-I669 HydrophobicContact CG2-CG2 3.54Å; I513-I669 CarbonylContact O-C 3.57Å; I513-I669 WeakPolarHBondContact O-CA 3.29Å; I514-I669 HydrophobicContact CG1-CG1 4.42Å; I514-I669 HydrophobicContact CG1-CG2 4.41Å; I514-I669 HydrophobicContact CG2-CG1 4.47Å; L657-I669 HydrophobicContact CD1-CD1 4.23Å; I667-I669 HydrophobicContact CG2-CD1 4.18Å; I667-I669 HydrophobicContact CG2-CG1 3.88Å; I669-V696 HydrophobicContact CG2-CG1 4.12Å; I669-L698 HydrophobicContact CD1-CD1 3.88Å
670	L	86.1	Confident	65.2	Low	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	175.4	-48.5	-177.2	0	0	0	109.6	I124 H477 P479 Y482 I484 V485 I512 I513 T668	I124-L670 HydrophobicContact CD1-CD1 3.54Å; I124-L670 HydrophobicContact CD1-CD2 4.32Å; I124-L670 HydrophobicContact CD1-CG 3.89Å; I124-L670 HydrophobicContact CG1-CD1 4.33Å; H477-L670 HydrophobicContact CB-CD1 4.43Å; P479-L670 HydrophobicContact CB-CD1 4.47Å; P479-L670 HydrophobicContact CB-CD2 3.96Å; Y482-L670 HydrophobicContact CD1-CB 3.81Å; Y482-L670 HydrophobicContact CD2-CB 4.29Å; Y482-L670 HydrophobicContact CD2-CD1 3.74Å; Y482-L670 HydrophobicContact CE1-CB 4.39Å; Y482-L670 HydrophobicContact CE2-CD1 3.96Å; Y482-L670 HydrophobicContact CG-CB 3.78Å; Y482-L670 HydrophobicContact CG-CD1 4.1Å; Y482-L670 HydrophobicContact CG-CG 4.47Å; I484-L670 WeakPolarHBondContact O-CA 3.49Å; V485-L670 HydrophobicContact CB-CD2 4.3Å; V485-L670 HydrophobicContact CG1-CD2 3.89Å; V485-L670 HydrophobicContact CG2-CD2 3.95Å; I512-L670 CarbonylContact C-O 3.58Å; I512-L670 VanDerWaalsContact CA-O 3.27Å; I512-L670 WeakPolarHBondContact CA-O 3.27Å; I513-L670 HydrophobicContact CB-CB 4.25Å; I513-L670 PolarHBondContact N-O 2.76Å; I513-L670 PolarHBondContact O-N 3.01Å; T668-L670 HydrophobicContact CG2-CD2 4.05Å
671	G	83.4	Confident	62.6	Low	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.3	178.8	0	0	0	0	0	113.1	S483 I484	S483-G671 PolarHBondContact N-O 3.24Å; S483-G671 PolarHBondContact OG-O 3.22Å; I484-G671 PolarHBondContact N-O 3.5Å; I484-G671 VanDerWaalsContact N-O 3.14Å; I484-G671 PolarHBondContact O-N 3.02Å
672	R	81	Confident	60.3	Low	21 Å²	21	62.2 Å²	62.2	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.5	176.9	154.4	170.9	159.1	86.6	-21	110.7	D144 Y482 C510 E511	D144-R672 PolarHBondContact O-NH2 2.99Å; Y482-R672 HydrophobicContact CD1-CB 3.7Å; Y482-R672 HydrophobicContact CE1-CB 3.8Å; C510-R672 CarbonylContact C-O 3.47Å; C510-R672 VanDerWaalsContact CA-O 3.25Å; C510-R672 WeakPolarHBondContact CA-O 3.03Å; C510-R672 WeakPolarHBondContact CB-O 3.32Å; E511-R672 PolarHBondContact N-O 3.36Å; E511-R672 PolarHBondContact O-N 3.02Å
673	I	71.9	Confident	58.4	Low	30 Å²	30	70 Å²	70	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.7	162.5	-60.4	174	0	0	0	109.3	Q508 S675 S692 M694	Q508-I673 HydrophobicContact CB-CG2 3.64Å; Q508-I673 HydrophobicContact CG-CG2 4.47Å; I673-S675 PolarHBondContact O-N 3.33Å; I673-S692 WeakPolarHBondContact CD1-O 3.37Å; I673-M694 HydrophobicContact CD1-CB 3.84Å; I673-M694 HydrophobicContact CG1-CB 3.61Å; I673-M694 HydrophobicContact CG1-CG 4.5Å; I673-M694 HydrophobicContact CG1-SD 4.28Å
674	R	66.1	Low	56.4	Low	42 Å²	42	71.6 Å²	71.6	16%	0.158	37%	0.374	C	S	.	.			trans	-89.5	97.1	173.2	-69.6	171.7	157.1	-123.8	-11.2	109.2	D144 P509 E511 L647 S676	D144-R674 IonicContact OD1-CZ 3.87Å; D144-R674 IonicContact OD1-NH1 2.65Å; D144-R674 PolarHBondContact OD1-NH1 2.97Å; D144-R674 IonicContact OD1-NH2 3.68Å; D144-R674 IonicContact OD2-CZ 2.92Å; D144-R674 IonicContact OD2-NH1 3.85Å; D144-R674 PolarHBondContact OD2-NH1 2.83Å; D144-R674 IonicContact OD2-NH2 3.7Å; D144-R674 PolarHBondContact OD2-NH2 3.09Å; P509-R674 HydrophobicContact CB-CB 4.44Å; P509-R674 WeakPolarHBondContact O-CB 2.78Å; P509-R674 PolarHBondContact O-N 2.88Å; E511-R674 IonicContact OE1-NH2 2.71Å; E511-R674 IonicContact OE2-CZ 3.01Å; E511-R674 IonicContact OE2-NE 3.77Å; E511-R674 PolarHBondContact OE2-NE 2.85Å; E511-R674 VanDerWaalsContact OE2-NE 3.08Å; E511-R674 IonicContact OE2-NH2 2.68Å; E511-R674 PolarHBondContact OE2-NH2 3.41Å; L647-R674 VanDerWaalsContact CD2-NH2 3.29Å; R674-S676 PolarHBondContact O-N 2.94Å; R674-S676 VanDerWaalsContact O-N 3.13Å
675	S	53.3	Low	54.3	Low	42 Å²	42	80.5 Å²	80.5	29%	0.294	41%	0.412	S	S	.	.			trans	-67.7	105.6	173.3	56	0	0	0	0	110.3	P208 I673 I677	P208-S675 WeakPolarHBondContact CG-OG 3.31Å; I673-S675 PolarHBondContact O-N 3.33Å; S675-I677 PolarHBondContact O-N 3.15Å; S675-I677 VanDerWaalsContact O-N 3.09Å
676	S	43.2	Very low	51.7	Low	98 Å²	98	88.3 Å²	88.3	69%	0.685	45%	0.451	S	S	*	.			trans	-66.3	104.5	173.6	53	0	0	0	0	110.5	R674 I678	R674-S676 PolarHBondContact O-N 2.94Å; R674-S676 VanDerWaalsContact O-N 3.13Å; S676-I678 VanDerWaalsContact C-N 3.35Å; S676-I678 PolarHBondContact O-N 2.81Å
677	I	35.8	Very low	49.2	Very low	132 Å²	132	96.8 Å²	96.8	68%	0.677	48%	0.484	S	S	*	.			trans	-74.9	88.8	176	-57.2	178.6	0	0	0	108.9	S675	S675-I677 PolarHBondContact O-N 3.15Å; S675-I677 VanDerWaalsContact O-N 3.09Å
678	I	28.4	Very low	46.3	Very low	149 Å²	149	99.1 Å²	99.1	76%	0.764	51%	0.508	S	S	*	.			trans	-76.9	114.7	156.6	-61.9	176.8	0	0	0	106.3	S676	S676-I678 VanDerWaalsContact C-N 3.35Å; S676-I678 PolarHBondContact O-N 2.81Å
679	N	27.7	Very low	43.6	Very low	123 Å²	123	106.3 Å²	106.3	66%	0.658	54%	0.544	S	S	*	.			trans	-88	141.4	-176	-142.4	-8.9	0	0	0	111.4
680	T	24.8	Very low	40.7	Very low	119 Å²	119	114.2 Å²	114.2	73%	0.73	58%	0.581	S	S	*	*	S	Bend	trans	51.7	76.7	162.3	55.2	0	0	0	0	119.3
681	K	24.9	Very low	38.3	Very low	201 Å²	201	122.6 Å²	122.6	87%	0.874	62%	0.62	S	S	*	*	S	Bend		172.4	90	118.5	-95.3	175.3	179.5	177.2	0	112.2
682	Y	26.1	Very low	36.2	Very low	224 Å²	224	127 Å²	127	88%	0.878	65%	0.651	S	S	*	*			trans	-176.1	85.8	140.8	-107.8	-69.6	0	0	0	109.4
683	N	23.6	Very low	34.8	Very low	176 Å²	176	129.5 Å²	129.5	94%	0.941	67%	0.672	S	S	*	*			trans	-106.1	65	173.7	-117.6	-8.4	0	0	0	109.5
684	S	25.2	Very low	34.1	Very low	76 Å²	76	128.6 Å²	128.6	53%	0.531	67%	0.667	S	S	.	*	S	Bend	trans	-161.7	140.5	168.6	-171.5	0	0	0	0	108
685	F	24.9	Very low	33.9	Very low	189 Å²	189	130.7 Å²	130.7	83%	0.829	68%	0.681	S	S	*	*	S	Bend	trans	52.3	87.8	-170.5	-64.1	-93	0	0	0	114
686	M	26	Very low	34.2	Very low	169 Å²	169	129.2 Å²	129.2	83%	0.833	67%	0.67	S	S	*	*				-162.6	125.8	78.8	-96.3	-65.5	-171.8	0	0	112.1
687	K	24.6	Very low	35.2	Very low	221 Å²	221	126.3 Å²	126.3	96%	0.961	65%	0.647	S	S	*	*			trans	-105.8	66.2	172.5	-158.4	-179.8	-173.4	-176.4	0	109.5
688	G	24.7	Very low	36.2	Very low	49 Å²	49	120.1 Å²	120.1	51%	0.505	62%	0.615	S	S	.	*			trans	161	94.8	177.5	0	0	0	0	0	115.7
689	I	27.6	Very low	37.4	Very low	169 Å²	169	114.8 Å²	114.8	87%	0.867	59%	0.588	S	S	*	*			trans	-163.8	137.3	137.5	-99.4	154.9	0	0	0	106.4
690	H	26.4	Very low	38.2	Very low	169 Å²	169	111.7 Å²	111.7	78%	0.782	57%	0.571	S	S	*	*			trans	-95	162.4	-177.8	-82.9	-129.6	0	0	0	111.8
691	Q	35.2	Very low	38.7	Very low	175 Å²	175	115.9 Å²	115.9	82%	0.818	58%	0.575	S	S	*	*			trans	61.8	81.4	163.1	-69.5	170.2	-32.3	0	0	117	S693	Q691-S693 PolarHBondContact O-N 2.77Å
692	S	40.2	Very low	39.2	Very low	94 Å²	94	110.7 Å²	110.7	66%	0.657	56%	0.557	S	S	*	*			trans	-73.1	78.5	151.4	57.3	0	0	0	0	110	I673	I673-S692 WeakPolarHBondContact CD1-O 3.37Å
693	S	50.4	Low	39.2	Very low	73 Å²	73	108.6 Å²	108.6	51%	0.51	55%	0.549	S	S	.	.			trans	-89.4	111.2	179.7	55.9	0	0	0	0	112	Q691	Q691-S693 PolarHBondContact O-N 2.77Å
694	M	56.6	Low	39.2	Very low	11 Å²	11	106.9 Å²	106.9	5%	0.054	54%	0.538	C	S	.	.			trans	-73.2	133.9	156.2	167.1	-170.4	-175.5	0	0	107.3	I484 C510 I512 I673 V696	I484-M694 HydrophobicContact CD1-CB 3.82Å; I484-M694 HydrophobicContact CD1-CE 4.45Å; I484-M694 HydrophobicContact CD1-CG 3.51Å; I484-M694 WeakPolarHBondContact CD1-O 3.29Å; I484-M694 HydrophobicContact CD1-SD 3.74Å; C510-M694 HydrophobicContact CB-CE 3.73Å; C510-M694 HydrophobicContact CB-SD 3.8Å; I512-M694 HydrophobicContact CD1-CE 4.46Å; I512-M694 HydrophobicContact CG1-CE 3.83Å; I673-M694 HydrophobicContact CD1-CB 3.84Å; I673-M694 HydrophobicContact CG1-CB 3.61Å; I673-M694 HydrophobicContact CG1-CG 4.5Å; I673-M694 HydrophobicContact CG1-SD 4.28Å; M694-V696 HydrophobicContact CE-CG2 3.83Å; M694-V696 HydrophobicContact CG-CG2 4.32Å
695	N	63	Low	39.2	Very low	85 Å²	85	109.4 Å²	109.4	46%	0.455	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.5	-179.7	-71.6	-31.1	0	0	0	109.9	C504 D505	C504-N695 WeakPolarHBondContact CA-O 3.42Å; D505-N695 HydrophobicContact CB-CB 4.38Å; D505-N695 PolarHBondContact N-O 2.79Å; D505-N695 PolarHBondContact O-N 3.04Å
696	V	58.5	Low	39.2	Very low	11 Å²	11	103.5 Å²	103.5	7%	0.067	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.4	176.3	-177.8	0	0	0	0	109.7	I484 K486 L502 F503 I669 M694	I484-V696 HydrophobicContact CD1-CB 4.36Å; I484-V696 HydrophobicContact CD1-CG2 3.68Å; I484-V696 HydrophobicContact CG2-CB 4.16Å; I484-V696 HydrophobicContact CG2-CG2 4.32Å; K486-V696 WeakPolarHBondContact CD-O 3.35Å; K486-V696 VanDerWaalsContact CE-O 3.25Å; K486-V696 WeakPolarHBondContact CE-O 3.14Å; K486-V696 PolarHBondContact NZ-O 3.47Å; L502-V696 HydrophobicContact CD1-CG1 3.49Å; L502-V696 VanDerWaalsContact CD1-CG1 3.49Å; F503-V696 VanDerWaalsContact O-CA 3.29Å; F503-V696 WeakPolarHBondContact O-CA 3.29Å; I669-V696 HydrophobicContact CG2-CG1 4.12Å; M694-V696 HydrophobicContact CE-CG2 3.83Å; M694-V696 HydrophobicContact CG-CG2 4.32Å
697	M	64.1	Low	39.4	Very low	38 Å²	38	97.9 Å²	97.9	19%	0.187	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.3	-179.6	-66.6	177.3	66.3	0	0	110.5	L502 F503 L705	L502-M697 CarbonylContact C-O 3.57Å; L502-M697 WeakPolarHBondContact CA-O 3.47Å; L502-M697 WeakPolarHBondContact CD1-O 3.22Å; F503-M697 HydrophobicContact CB-CB 4.16Å; F503-M697 HydrophobicContact CD2-CB 3.6Å; F503-M697 HydrophobicContact CD2-SD 4.39Å; F503-M697 HydrophobicContact CE2-CB 4.34Å; F503-M697 HydrophobicContact CG-CB 4.22Å; F503-M697 PolarHBondContact N-O 2.92Å; F503-M697 PolarHBondContact O-N 2.8Å; M697-L705 WeakPolarHBondContact CE-O 3.49Å
698	L	58.5	Low	39.6	Very low	1 Å²	1	87.7 Å²	87.7	1%	0.005	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	172.3	-160.7	85.7	0	0	0	109.7	Y488 H500 Y501 L502 L657 I667 I669	Y488-L698 HydrophobicContact CD1-CD2 3.94Å; Y488-L698 HydrophobicContact CD2-CB 4.03Å; Y488-L698 HydrophobicContact CD2-CD2 3.44Å; Y488-L698 VanDerWaalsContact CD2-CD2 3.44Å; Y488-L698 HydrophobicContact CD2-CG 4.36Å; Y488-L698 HydrophobicContact CE1-CB 4.16Å; Y488-L698 HydrophobicContact CE1-CD2 4.28Å; Y488-L698 HydrophobicContact CE2-CB 3.45Å; Y488-L698 VanDerWaalsContact CE2-CB 3.45Å; Y488-L698 HydrophobicContact CE2-CD2 3.81Å; Y488-L698 HydrophobicContact CE2-CG 4.26Å; Y488-L698 HydrophobicContact CG-CD2 3.51Å; Y488-L698 PolarHBondContact OH-O 2.84Å; H500-L698 HydrophobicContact CB-CD1 4.37Å; H500-L698 HydrophobicContact CB-CD2 4.34Å; H500-L698 HydrophobicContact CB-CG 4.39Å; Y501-L698 CarbonylContact O-C 3.5Å; Y501-L698 WeakPolarHBondContact O-CA 3.24Å; Y501-L698 WeakPolarHBondContact O-CD1 3.26Å; Y501-L698 WeakPolarHBondContact O-CG 3.33Å; L502-L698 HydrophobicContact CB-CD1 3.72Å; L502-L698 HydrophobicContact CD1-CD1 4.09Å; L502-L698 HydrophobicContact CG-CD1 4.44Å; L657-L698 HydrophobicContact CD1-CD1 3.78Å; I667-L698 HydrophobicContact CD1-CD2 4.15Å; I669-L698 HydrophobicContact CD1-CD1 3.88Å
699	D	53.1	Low	39.8	Very low	38 Å²	38	87.1 Å²	87.1	20%	0.203	44%	0.437	C	S	.	.			trans	66.4	143.3	-178.5	-58.9	-18.4	0	0	0	116.6	H500 Y501 Y701	H500-D699 WeakPolarHBondContact CA-OD1 3.36Å; H500-D699 VanDerWaalsContact CB-OD1 3.27Å; H500-D699 WeakPolarHBondContact CB-OD1 3.1Å; H500-D699 IonicContact CE1-OD2 3.5Å; H500-D699 PolarHBondContact CE1-OD2 3.41Å; H500-D699 VanDerWaalsContact CE1-OD2 3.31Å; H500-D699 IonicContact CG-OD1 3.82Å; H500-D699 IonicContact CG-OD2 2.7Å; H500-D699 IonicContact ND1-OD1 3.97Å; H500-D699 PolarHBondContact ND1-OD1 3.07Å; H500-D699 IonicContact ND1-OD2 3.06Å; H500-D699 PolarHBondContact ND1-OD2 3.45Å; Y501-D699 PolarHBondContact N-OD1 3.05Å; Y501-D699 PolarHBondContact O-N 2.86Å; D699-Y701 PolarHBondContact O-N 3Å
700	D	43.4	Very low	40.1	Very low	58 Å²	58	79.1 Å²	79.1	31%	0.31	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.5	-177.7	-66.1	-37.2	0	0	0	113.6	Y501 F503 D702 Y703	Y501-D700 WeakPolarHBondContact CD2-OD2 3.03Å; Y501-D700 WeakPolarHBondContact CE2-OD2 3.35Å; F503-D700 WeakPolarHBondContact CZ-OD1 3.48Å; D700-D702 VanDerWaalsContact C-N 3.35Å; D700-D702 PolarHBondContact O-N 3.48Å; D700-Y703 WeakPolarHBondContact O-CD2 3.01Å; D700-Y703 WeakPolarHBondContact O-CE2 3.45Å
701	Y	36.9	Very low	40.3	Very low	207 Å²	207	71.2 Å²	71.2	81%	0.812	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.8	-173.5	-73.2	-78	0	0	0	114.5	D699 Y703	D699-Y701 PolarHBondContact O-N 3Å; Y701-Y703 PolarHBondContact O-N 3.45Å
702	D	33.5	Very low	40	Very low	91 Å²	91	64.2 Å²	64.2	49%	0.487	33%	0.327	S	S	.	.	S	Bend	trans	-74.7	70.4	159.5	-82.7	-18.7	0	0	0	108.7	D700 I704	D700-D702 VanDerWaalsContact C-N 3.35Å; D700-D702 PolarHBondContact O-N 3.48Å; D702-I704 PolarHBondContact O-N 3.05Å
703	Y	26.5	Very low	39.5	Very low	181 Å²	181	61.3 Å²	61.3	71%	0.71	31%	0.305	S	S	*	.			trans	-72.1	52.2	-166.2	-114.1	-74.7	0	0	0	115.5	D700 Y701	D700-Y703 WeakPolarHBondContact O-CD2 3.01Å; D700-Y703 WeakPolarHBondContact O-CE2 3.45Å; Y701-Y703 PolarHBondContact O-N 3.45Å
704	I	25.1	Very low	38.8	Very low	140 Å²	140	61.3 Å²	61.3	72%	0.718	30%	0.299	S	S	*	.	S	Bend	trans	-130.6	83.4	159.9	-62.2	91.3	0	0	0	108.9	D702	D702-I704 PolarHBondContact O-N 3.05Å
705	L	23.9	Very low	37.9	Very low	128 Å²	128	68 Å²	68	67%	0.67	34%	0.335	S	S	*	.	S	Bend	trans	69.9	122.5	163.9	-71.1	73.1	0	0	0	119.9	M697	M697-L705 WeakPolarHBondContact CE-O 3.49Å
706	L	24.6	Very low	36.8	Very low	65 Å²	65	66.3 Å²	66.3	34%	0.34	33%	0.325	S	S	.	.			trans	120.4	53.6	132.5	-129.8	75.4	0	0	0	124.7	F503	F503-L706 WeakPolarHBondContact CB-O 3.43Å; F503-L706 VanDerWaalsContact CD2-C 3.43Å; F503-L706 VanDerWaalsContact CD2-O 3.25Å; F503-L706 WeakPolarHBondContact CD2-O 2.84Å; F503-L706 WeakPolarHBondContact CG-O 3.18Å
707	N	30.8	Very low	36	Very low	51 Å²	51	73.3 Å²	73.3	27%	0.273	35%	0.35	S	S	.	.			trans	95.1	99.4	131.9	-57.3	-2.4	0	0	0	125.6	F503 W624 C654	F503-N707 WeakPolarHBondContact CD1-O 3.22Å; F503-N707 WeakPolarHBondContact CE1-O 3.26Å; W624-N707 HydrophobicContact CB-CB 3.65Å; W624-N707 HydrophobicContact CD2-CB 4.14Å; W624-N707 HydrophobicContact CE3-CB 4.38Å; W624-N707 VanDerWaalsContact CE3-ND2 3.25Å; W624-N707 HydrophobicContact CG-CB 3.83Å; C654-N707 VanDerWaalsContact CB-O 3.26Å; C654-N707 WeakPolarHBondContact CB-O 3.43Å; C654-N707 PolarHBondContact SG-O 3.47Å; C654-N707 VanDerWaalsContact SG-O 3.33Å
708	G	27.7	Very low	35	Very low	7 Å²	7	76.3 Å²	76.3	7%	0.072	36%	0.36	C	S	.	.			trans	-55.5	-174	-173.1	0	0	0	0	0	128.6	F503 Y622 C654	F503-G708 VanDerWaalsContact CE1-CA 3.42Å; F503-G708 VanDerWaalsContact CE1-N 3.3Å; Y622-G708 WeakPolarHBondContact CB-O 3.46Å; Y622-G708 VanDerWaalsContact CD1-C 3.44Å; Y622-G708 WeakPolarHBondContact CD1-O 2.85Å; C654-G708 VanDerWaalsContact CB-O 3.22Å; C654-G708 WeakPolarHBondContact CB-O 3.47Å; C654-G708 PolarHBondContact SG-O 2.95Å
709	I	30.6	Very low	34.4	Very low	37 Å²	37	82.8 Å²	82.8	19%	0.19	39%	0.386	C	S	.	.			trans	93.6	163	153.7	26.7	64.3	0	0	0	116.7	Y501 Y622 Y655 K656	Y501-I709 HydrophobicContact CD1-CB 3.65Å; Y501-I709 HydrophobicContact CD1-CG1 3.63Å; Y501-I709 HydrophobicContact CD2-CG1 4.17Å; Y501-I709 HydrophobicContact CE1-CB 3.37Å; Y501-I709 HydrophobicContact CE1-CG1 3.13Å; Y501-I709 HydrophobicContact CE2-CG1 3.73Å; Y501-I709 HydrophobicContact CG-CB 4.48Å; Y501-I709 HydrophobicContact CG-CG1 4.14Å; Y501-I709 WeakPolarHBondContact OH-CG1 3.47Å; Y622-I709 WeakPolarHBondContact CB-O 3.35Å; Y622-I709 VanDerWaalsContact CD1-CA 3.49Å; Y622-I709 HydrophobicContact CD1-CB 4.4Å; Y622-I709 HydrophobicContact CD1-CD1 4.19Å; Y622-I709 HydrophobicContact CD2-CB 4.5Å; Y622-I709 HydrophobicContact CD2-CG2 3.9Å; Y622-I709 HydrophobicContact CE1-CB 4.33Å; Y622-I709 HydrophobicContact CE1-CD1 3.37Å; Y622-I709 HydrophobicContact CE1-CG1 4.34Å; Y622-I709 HydrophobicContact CE1-CG2 4.32Å; Y622-I709 HydrophobicContact CE2-CB 4.37Å; Y622-I709 HydrophobicContact CE2-CD1 4.31Å; Y622-I709 HydrophobicContact CE2-CG2 3.55Å; Y622-I709 VanDerWaalsContact CG-CA 3.43Å; Y622-I709 HydrophobicContact CG-CB 4.39Å; Y622-I709 HydrophobicContact CG-CG2 4.28Å; Y622-I709 VanDerWaalsContact CZ-CD1 3.43Å; Y622-I709 WeakPolarHBondContact OH-CD1 3.31Å; Y655-I709 CarbonylContact C-O 3.57Å; K656-I709 HydrophobicContact CB-CB 4.37Å; K656-I709 WeakPolarHBondContact CB-O 3.31Å; K656-I709 HydrophobicContact CD-CB 4.08Å; K656-I709 HydrophobicContact CD-CG2 4.28Å; K656-I709 PolarHBondContact N-O 3.43Å
710	T	32.4	Very low	34.1	Very low	1 Å²	1	83.6 Å²	83.6	1%	0.006	40%	0.397	C	S	.	.			cis	-147.4	161.6	-0.6	44.1	0	0	0	0	118.9	E620 T621 Y622 I628 K656	E620-T710 WeakPolarHBondContact CB-O 3.37Å; E620-T710 VanDerWaalsContact CB-OG1 3.27Å; E620-T710 WeakPolarHBondContact CB-OG1 3.19Å; E620-T710 PolarHBondContact N-O 3.22Å; E620-T710 WeakPolarHBondContact OE2-CB 3.44Å; T621-T710 PolarHBondContact O-OG1 2.68Å; Y622-T710 HydrophobicContact CD2-CG2 3.16Å; Y622-T710 HydrophobicContact CE2-CG2 3.82Å; Y622-T710 HydrophobicContact CG-CG2 3.91Å; Y622-T710 PolarHBondContact N-OG1 2.71Å; I628-T710 WeakPolarHBondContact O-CG2 3.37Å; K656-T710 VanDerWaalsContact CB-O 3.29Å; K656-T710 WeakPolarHBondContact CB-O 3.06Å
711	T	31.3	Very low	34.3	Very low	4 Å²	4	83.9 Å²	83.9	3%	0.025	40%	0.399	C	S	.	.			trans	-174.4	154.7	173	3.5	0	0	0	0	122.3	L618 E620 Q629 K656 L658	L618-T711 HydrophobicContact CB-CG2 3.77Å; L618-T711 HydrophobicContact CD2-CG2 3.53Å; L618-T711 HydrophobicContact CG-CG2 3.44Å; L618-T711 VanDerWaalsContact CG-CG2 3.44Å; L618-T711 VanDerWaalsContact O-CG2 3.28Å; L618-T711 WeakPolarHBondContact O-CG2 3.32Å; E620-T711 HydrophobicContact CB-CG2 4.32Å; E620-T711 VanDerWaalsContact CD-C 3.42Å; E620-T711 HydrophobicContact CG-CG2 4.09Å; E620-T711 WeakPolarHBondContact OE1-CA 3.46Å; E620-T711 WeakPolarHBondContact OE2-CA 3.46Å; E620-T711 PolarHBondContact OE2-N 2.7Å; Q629-T711 VanDerWaalsContact NE2-C 3.35Å; Q629-T711 PolarHBondContact NE2-O 2.73Å; K656-T711 VanDerWaalsContact CD-OG1 3.26Å; K656-T711 WeakPolarHBondContact CD-OG1 3.4Å; K656-T711 VanDerWaalsContact CG-OG1 3.29Å; K656-T711 WeakPolarHBondContact CG-OG1 3.24Å; K656-T711 PolarHBondContact O-OG1 3.45Å; L658-T711 HydrophobicContact CB-CG2 4.17Å; L658-T711 VanDerWaalsContact CB-OG1 3.28Å; L658-T711 WeakPolarHBondContact CB-OG1 3.46Å; L658-T711 VanDerWaalsContact CD1-CB 3.41Å; L658-T711 WeakPolarHBondContact CD1-O 3.25Å; L658-T711 VanDerWaalsContact CD1-OG1 3.31Å; L658-T711 WeakPolarHBondContact CD1-OG1 3.44Å; L658-T711 WeakPolarHBondContact CG-OG1 3.45Å; L658-T711 PolarHBondContact N-OG1 3.08Å
712	Y	29.8	Very low	34.9	Very low	28 Å²	28	77 Å²	77	11%	0.11	37%	0.374	C	S	.	.			trans	121.4	140	152.5	-89.5	-37.5	0	0	0	122.4	T566 S616 L618 E620 Q629 Y635 L658 T660	T566-Y712 VanDerWaalsContact CG2-C 3.43Å; T566-Y712 WeakPolarHBondContact CG2-O 3.21Å; S616-Y712 PolarHBondContact OG-OH 3.15Å; L618-Y712 HydrophobicContact CB-CD1 4.12Å; L618-Y712 HydrophobicContact CB-CE1 4.06Å; L618-Y712 HydrophobicContact CD2-CD1 3.46Å; L618-Y712 VanDerWaalsContact CD2-CD1 3.46Å; L618-Y712 HydrophobicContact CD2-CE1 4.23Å; L618-Y712 HydrophobicContact CD2-CG 4.14Å; L618-Y712 HydrophobicContact CG-CD1 4.46Å; E620-Y712 PolarHBondContact OE1-N 2.74Å; Q629-Y712 PolarHBondContact NE2-O 3.38Å; Y635-Y712 HydrophobicContact CE2-CE1 4.3Å; L658-Y712 HydrophobicContact CB-CD2 3.75Å; L658-Y712 HydrophobicContact CB-CE1 4.48Å; L658-Y712 HydrophobicContact CB-CE2 3.62Å; L658-Y712 HydrophobicContact CB-CG 4.24Å; L658-Y712 HydrophobicContact CD1-CD2 3.68Å; L658-Y712 HydrophobicContact CD1-CE2 4.3Å; L658-Y712 HydrophobicContact CD1-CG 4.23Å; L658-Y712 HydrophobicContact CD2-CD2 3.88Å; L658-Y712 HydrophobicContact CD2-CE2 3.71Å; L658-Y712 HydrophobicContact CG-CD2 3.98Å; L658-Y712 HydrophobicContact CG-CE2 4.09Å; T660-Y712 HydrophobicContact CG2-CE2 4.42Å; T660-Y712 WeakPolarHBondContact CG2-OH 3.44Å; T660-Y712 PolarHBondContact N-OH 2.63Å; T660-Y712 PolarHBondContact OG1-OH 3.45Å
713	P	29.4	Very low	35.8	Very low	32 Å²	32	75.6 Å²	75.6	21%	0.208	37%	0.366	C	S	.	.			trans	-151.6	-16.4	165.8	44.9	-30.9	0	0	0	123.3	T567	T567-P713 PolarHBondContact OG1-O 3.22Å; T567-P713 VanDerWaalsContact OG1-O 3.08Å
714	L	34	Very low	37	Very low	73 Å²	73	68.2 Å²	68.2	38%	0.382	34%	0.339	S	S	.	.				-81.3	-42.5	-128.3	-135.1	179.3	0	0	0	122.1	Y635 I716	Y635-L714 HydrophobicContact CD1-CD1 3.64Å; Y635-L714 HydrophobicContact CD2-CD1 3.88Å; Y635-L714 HydrophobicContact CE1-CD1 3.41Å; Y635-L714 VanDerWaalsContact CE1-CD1 3.41Å; Y635-L714 HydrophobicContact CE2-CD1 3.72Å; Y635-L714 HydrophobicContact CG-CD1 3.86Å; Y635-L714 VanDerWaalsContact CZ-CD1 3.46Å; L714-I716 PolarHBondContact O-N 2.86Å
715	L	37.8	Very low	38.3	Very low	153 Å²	153	64.3 Å²	64.3	80%	0.801	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-23.3	-157.7	-176.4	62.5	0	0	0	119.3	R717	L715-R717 PolarHBondContact O-N 3.04Å
716	I	40.7	Very low	39.9	Very low	49 Å²	49	59.2 Å²	59.2	25%	0.251	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-28.2	-178.3	-75.7	163.2	0	0	0	116.2	L714 Y718 I817	L714-I716 PolarHBondContact O-N 2.86Å; I716-Y718 PolarHBondContact O-N 2.94Å; I716-I817 HydrophobicContact CB-CD1 4.33Å; I716-I817 HydrophobicContact CB-CG1 4.37Å; I716-I817 HydrophobicContact CD1-CG1 4.13Å; I716-I817 HydrophobicContact CG1-CD1 4.04Å; I716-I817 HydrophobicContact CG1-CG1 3.94Å; I716-I817 HydrophobicContact CG2-CB 4.41Å; I716-I817 HydrophobicContact CG2-CD1 3.78Å; I716-I817 HydrophobicContact CG2-CG1 3.63Å; I716-I817 HydrophobicContact CG2-CG2 3.88Å
717	R	42.7	Very low	41.3	Very low	158 Å²	158	58 Å²	58	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-71.7	-23.9	-166	-169.5	171.4	-175.8	139.6	9.6	115.9	L715 N721 Q990	L715-R717 PolarHBondContact O-N 3.04Å; R717-N721 PolarHBondContact O-ND2 3.35Å; R717-Q990 VanDerWaalsContact NH2-OE1 3.08Å
718	Y	42.4	Very low	42.7	Very low	100 Å²	100	56.8 Å²	56.8	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-72.7	-59.1	-167.9	179.6	-110.1	0	0	0	113.7	I716 A720 N721	I716-Y718 PolarHBondContact O-N 2.94Å; Y718-A720 VanDerWaalsContact C-N 3.27Å; Y718-A720 PolarHBondContact O-N 3.48Å; Y718-N721 PolarHBondContact O-N 3.03Å; Y718-N721 VanDerWaalsContact O-N 3.13Å; Y718-N721 PolarHBondContact O-ND2 2.93Å
719	Y	45.4	Very low	44.2	Very low	138 Å²	138	58.4 Å²	58.4	54%	0.541	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-27.4	-170.3	-74.8	-72.4	0	0	0	114.7	N721 Q722 W804	Y719-N721 VanDerWaalsContact C-N 3.25Å; Y719-N721 PolarHBondContact O-N 3.01Å; Y719-Q722 PolarHBondContact O-N 2.92Å; Y719-W804 HydrophobicContact CD1-CH2 4.37Å; Y719-W804 AromaticContact CD1-CZ2 3.51Å; Y719-W804 HydrophobicContact CD1-CZ2 3.51Å; Y719-W804 HydrophobicContact CE1-CZ2 4.27Å; Y719-W804 AromaticContact CG-CZ2 4Å; Y719-W804 HydrophobicContact CG-CZ2 4Å
720	A	46.2	Very low	45.7	Very low	54 Å²	54	57 Å²	57	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-34.8	176.1	0	0	0	0	0	112.7	Y718 I724	Y718-A720 VanDerWaalsContact C-N 3.27Å; Y718-A720 PolarHBondContact O-N 3.48Å; A720-I724 WeakPolarHBondContact O-CG1 3.13Å; A720-I724 PolarHBondContact O-N 2.92Å
721	N	48.4	Very low	47.2	Very low	64 Å²	64	57 Å²	57	34%	0.342	29%	0.289	S	S	.	.	H	α-helix	trans	-74.9	-33.3	-175.4	-53.9	-56.2	0	0	0	112.7	R717 Y718 Y719 I724 S725 Q990	R717-N721 PolarHBondContact O-ND2 3.35Å; Y718-N721 PolarHBondContact O-N 3.03Å; Y718-N721 VanDerWaalsContact O-N 3.13Å; Y718-N721 PolarHBondContact O-ND2 2.93Å; Y719-N721 VanDerWaalsContact C-N 3.25Å; Y719-N721 PolarHBondContact O-N 3.01Å; N721-I724 PolarHBondContact O-N 3.41Å; N721-S725 PolarHBondContact O-N 2.67Å; N721-Q990 PolarHBondContact OD1-NE2 3.17Å
722	Q	49.6	Very low	48.7	Very low	62 Å²	62	61.6 Å²	61.6	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-41.6	-179.3	-70.2	-72.8	31.8	0	0	111.9	Y719 I724 S725 C726 F800	Y719-Q722 PolarHBondContact O-N 2.92Å; Q722-I724 VanDerWaalsContact C-N 3.31Å; Q722-I724 PolarHBondContact O-N 2.94Å; Q722-S725 VanDerWaalsContact O-CB 3.31Å; Q722-S725 WeakPolarHBondContact O-CB 3.19Å; Q722-S725 PolarHBondContact O-N 3.31Å; Q722-S725 VanDerWaalsContact O-N 3.08Å; Q722-C726 PolarHBondContact O-N 3.17Å; Q722-C726 VanDerWaalsContact O-N 3.13Å; Q722-F800 HydrophobicContact CB-CE1 4.12Å; Q722-F800 HydrophobicContact CB-CZ 3.63Å; Q722-F800 HydrophobicContact CG-CZ 4.38Å
723	L	51.5	Low	50.5	Low	63 Å²	63	60.6 Å²	60.6	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-37.4	175.9	-173.9	145.3	0	0	0	111.6	M727 L801 W804	L723-M727 HydrophobicContact CD2-SD 3.8Å; L723-M727 WeakPolarHBondContact O-CG 3.48Å; L723-M727 PolarHBondContact O-N 2.83Å; L723-L801 HydrophobicContact CD1-CD2 4.41Å; L723-W804 HydrophobicContact CD1-CZ3 4.34Å
724	I	52.3	Low	52.2	Low	25 Å²	25	59.7 Å²	59.7	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-47.1	169.8	-67.7	168	0	0	0	110.2	A720 N721 Q722 C726 M727 V728 L986 Q987	A720-I724 WeakPolarHBondContact O-CG1 3.13Å; A720-I724 PolarHBondContact O-N 2.92Å; N721-I724 PolarHBondContact O-N 3.41Å; Q722-I724 VanDerWaalsContact C-N 3.31Å; Q722-I724 PolarHBondContact O-N 2.94Å; I724-C726 PolarHBondContact O-N 3.46Å; I724-M727 CarbonylContact O-C 3.58Å; I724-M727 WeakPolarHBondContact O-CB 3.44Å; I724-M727 PolarHBondContact O-N 2.96Å; I724-M727 VanDerWaalsContact O-N 3.08Å; I724-V728 HydrophobicContact CG2-CG2 4.37Å; I724-V728 WeakPolarHBondContact O-CG2 3.23Å; I724-V728 PolarHBondContact O-N 2.82Å; I724-L986 HydrophobicContact CD1-CB 4.38Å; I724-L986 HydrophobicContact CG1-CB 4.37Å; I724-Q987 HydrophobicContact CG2-CG 4.12Å
725	S	53.1	Low	53.8	Low	58 Å²	58	61.2 Å²	61.2	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-55.6	-49.1	-178.5	-162.1	0	0	0	0	113.2	N721 Q722 M727 V728 S729	N721-S725 PolarHBondContact O-N 2.67Å; Q722-S725 VanDerWaalsContact O-CB 3.31Å; Q722-S725 WeakPolarHBondContact O-CB 3.19Å; Q722-S725 PolarHBondContact O-N 3.31Å; Q722-S725 VanDerWaalsContact O-N 3.08Å; S725-M727 VanDerWaalsContact C-N 3.29Å; S725-M727 PolarHBondContact O-N 3.31Å; S725-V728 WeakPolarHBondContact O-CB 3.5Å; S725-V728 PolarHBondContact O-N 2.74Å; S725-S729 PolarHBondContact O-N 2.89Å
726	C	57.4	Low	55.2	Low	21 Å²	21	57.7 Å²	57.7	14%	0.142	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-36	176.9	-61.6	0	0	0	0	112.4	Q722 I724 V728 S729 I730 L797	Q722-C726 PolarHBondContact O-N 3.17Å; Q722-C726 VanDerWaalsContact O-N 3.13Å; I724-C726 PolarHBondContact O-N 3.46Å; C726-V728 VanDerWaalsContact C-N 3.32Å; C726-V728 PolarHBondContact O-N 2.88Å; C726-S729 PolarHBondContact O-N 3.1Å; C726-I730 WeakPolarHBondContact O-CG1 3.38Å; C726-I730 PolarHBondContact O-N 2.78Å; C726-L797 HydrophobicContact CB-CD1 3.61Å
727	M	53.1	Low	56.5	Low	40 Å²	40	55.6 Å²	55.6	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-69.2	-26.6	174.2	-67.7	-178.6	68.3	0	0	113.2	L723 I724 S725 G731 W979 L983 L986	L723-M727 HydrophobicContact CD2-SD 3.8Å; L723-M727 WeakPolarHBondContact O-CG 3.48Å; L723-M727 PolarHBondContact O-N 2.83Å; I724-M727 CarbonylContact O-C 3.58Å; I724-M727 WeakPolarHBondContact O-CB 3.44Å; I724-M727 PolarHBondContact O-N 2.96Å; I724-M727 VanDerWaalsContact O-N 3.08Å; S725-M727 VanDerWaalsContact C-N 3.29Å; S725-M727 PolarHBondContact O-N 3.31Å; M727-G731 PolarHBondContact O-N 3.43Å; M727-W979 HydrophobicContact CB-CZ2 4.2Å; M727-W979 HydrophobicContact CE-CH2 4.11Å; M727-W979 HydrophobicContact CE-CZ2 3.87Å; M727-W979 HydrophobicContact CG-CZ2 4.21Å; M727-W979 PolarHBondContact O-NE1 3.33Å; M727-L983 HydrophobicContact CB-CD1 3.79Å; M727-L986 HydrophobicContact CE-CD1 4.37Å
728	V	60.5	Low	57.6	Low	26 Å²	26	48.4 Å²	48.4	16%	0.158	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-53.3	171.3	-178.7	0	0	0	0	110.2	I724 S725 C726 I730 G731 Q732 L983	I724-V728 HydrophobicContact CG2-CG2 4.37Å; I724-V728 WeakPolarHBondContact O-CG2 3.23Å; I724-V728 PolarHBondContact O-N 2.82Å; S725-V728 WeakPolarHBondContact O-CB 3.5Å; S725-V728 PolarHBondContact O-N 2.74Å; C726-V728 VanDerWaalsContact C-N 3.32Å; C726-V728 PolarHBondContact O-N 2.88Å; V728-I730 VanDerWaalsContact C-N 3.29Å; V728-I730 PolarHBondContact O-N 2.73Å; V728-G731 WeakPolarHBondContact O-CA 3.07Å; V728-G731 PolarHBondContact O-N 2.84Å; V728-Q732 HydrophobicContact CG1-CG 4.23Å; V728-Q732 WeakPolarHBondContact O-CG 3.29Å; V728-Q732 PolarHBondContact O-N 2.79Å; V728-L983 HydrophobicContact CB-CD1 4.5Å; V728-L983 HydrophobicContact CB-CD2 4.16Å; V728-L983 HydrophobicContact CG1-CD2 4.32Å; V728-L983 HydrophobicContact CG2-CD1 3.84Å; V728-L983 HydrophobicContact CG2-CD2 3.93Å; V728-L983 HydrophobicContact CG2-CG 4.15Å
729	S	60.1	Low	58.8	Low	40 Å²	40	49.5 Å²	49.5	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-35.2	-175.1	-56.5	0	0	0	0	113.1	S725 C726 A733	S725-S729 PolarHBondContact O-N 2.89Å; C726-S729 PolarHBondContact O-N 3.1Å; S729-A733 WeakPolarHBondContact O-CB 3.5Å; S729-A733 PolarHBondContact O-N 2.69Å
730	I	62.4	Low	59.9	Low	8 Å²	8	44.2 Å²	44.2	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-39.9	173.3	-72.2	170.9	0	0	0	111.5	C726 V728 A733 L734 F790 K793 L797 W979	C726-I730 WeakPolarHBondContact O-CG1 3.38Å; C726-I730 PolarHBondContact O-N 2.78Å; V728-I730 VanDerWaalsContact C-N 3.29Å; V728-I730 PolarHBondContact O-N 2.73Å; I730-A733 PolarHBondContact O-N 2.94Å; I730-L734 HydrophobicContact CG2-CD1 4.45Å; I730-L734 WeakPolarHBondContact O-CG 3.26Å; I730-L734 PolarHBondContact O-N 3.33Å; I730-L734 VanDerWaalsContact O-N 3.13Å; I730-F790 HydrophobicContact CG2-CE2 3.95Å; I730-K793 HydrophobicContact CG1-CB 4.18Å; I730-L797 HydrophobicContact CD1-CB 3.64Å; I730-L797 HydrophobicContact CD1-CD2 3.59Å; I730-L797 HydrophobicContact CD1-CG 4.13Å; I730-W979 HydrophobicContact CG2-CZ2 4.08Å
731	G	62.5	Low	60.7	Low	1 Å²	1	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-43.8	174.5	0	0	0	0	0	112.7	M727 V728 L734 E735	M727-G731 PolarHBondContact O-N 3.43Å; V728-G731 WeakPolarHBondContact O-CA 3.07Å; V728-G731 PolarHBondContact O-N 2.84Å; G731-L734 WeakPolarHBondContact O-CB 3.42Å; G731-L734 PolarHBondContact O-N 3.39Å; G731-E735 PolarHBondContact O-N 2.84Å
732	Q	63.8	Low	61.6	Low	100 Å²	100	41.2 Å²	41.2	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-40.5	177.3	-69.9	174.6	-38	0	0	112.5	V728 L734 E735 V736	V728-Q732 HydrophobicContact CG1-CG 4.23Å; V728-Q732 WeakPolarHBondContact O-CG 3.29Å; V728-Q732 PolarHBondContact O-N 2.79Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.34Å; Q732-E735 PolarHBondContact O-N 3.35Å; Q732-V736 WeakPolarHBondContact O-CG2 3.22Å; Q732-V736 PolarHBondContact O-N 3.45Å
733	A	66.8	Low	62.3	Low	7 Å²	7	40.8 Å²	40.8	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-35	175.8	0	0	0	0	0	112.4	S729 I730 L737 F790	S729-A733 WeakPolarHBondContact O-CB 3.5Å; S729-A733 PolarHBondContact O-N 2.69Å; I730-A733 PolarHBondContact O-N 2.94Å; A733-L737 PolarHBondContact O-N 3.35Å; A733-F790 HydrophobicContact CB-CB 4.01Å; A733-F790 HydrophobicContact CB-CD2 4.04Å
734	L	66.3	Low	62.9	Low	13 Å²	13	39.7 Å²	39.7	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-38.9	170.9	-75.6	166.8	0	0	0	112.9	I730 G731 Q732 L737 V738 F790 M932	I730-L734 HydrophobicContact CG2-CD1 4.45Å; I730-L734 WeakPolarHBondContact O-CG 3.26Å; I730-L734 PolarHBondContact O-N 3.33Å; I730-L734 VanDerWaalsContact O-N 3.13Å; G731-L734 WeakPolarHBondContact O-CB 3.42Å; G731-L734 PolarHBondContact O-N 3.39Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.34Å; L734-L737 WeakPolarHBondContact O-CB 3.29Å; L734-L737 PolarHBondContact O-N 2.91Å; L734-V738 WeakPolarHBondContact O-CG2 3.42Å; L734-V738 PolarHBondContact O-N 3.22Å; L734-F790 HydrophobicContact CD1-CE2 3.9Å; L734-F790 HydrophobicContact CD1-CZ 4.48Å; L734-F790 HydrophobicContact CD2-CD2 4.07Å; L734-F790 HydrophobicContact CD2-CE1 4.43Å; L734-F790 HydrophobicContact CD2-CE2 3.56Å; L734-F790 HydrophobicContact CD2-CZ 3.77Å; L734-F790 HydrophobicContact CG-CD2 3.9Å; L734-F790 HydrophobicContact CG-CE2 3.44Å; L734-F790 VanDerWaalsContact CG-CE2 3.44Å; L734-F790 HydrophobicContact CG-CZ 4.15Å; L734-M932 HydrophobicContact CD1-CE 4.28Å; L734-M932 HydrophobicContact CD2-CE 3.54Å
735	E	65.6	Low	63.2	Low	105 Å²	105	41.6 Å²	41.6	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-64.9	-43.2	179.4	-170.4	165.2	-148.9	0	0	111.8	G731 Q732 L737 V738 H739	G731-E735 PolarHBondContact O-N 2.84Å; Q732-E735 PolarHBondContact O-N 3.35Å; E735-L737 VanDerWaalsContact C-N 3.34Å; E735-L737 PolarHBondContact O-N 3.34Å; E735-V738 PolarHBondContact O-N 2.86Å; E735-H739 WeakPolarHBondContact O-CB 3.48Å; E735-H739 PolarHBondContact O-N 2.84Å
736	V	69.3	Low	63.5	Low	80 Å²	80	44.9 Å²	44.9	49%	0.485	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-41.3	172.4	172.4	0	0	0	0	111.8	Q732 H739 L740 A786	Q732-V736 WeakPolarHBondContact O-CG2 3.22Å; Q732-V736 PolarHBondContact O-N 3.45Å; V736-H739 PolarHBondContact O-N 3.26Å; V736-L740 HydrophobicContact CG1-CD1 4.08Å; V736-L740 WeakPolarHBondContact O-CB 3.33Å; V736-L740 PolarHBondContact O-N 3.33Å; V736-A786 HydrophobicContact CG1-CB 4.29Å
737	L	66.3	Low	63.4	Low	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-46.3	176.8	-101.7	160.9	0	0	0	112.5	A733 L734 E735 T741 L783 A786 I787 F790 L936	A733-L737 PolarHBondContact O-N 3.35Å; L734-L737 WeakPolarHBondContact O-CB 3.29Å; L734-L737 PolarHBondContact O-N 2.91Å; E735-L737 VanDerWaalsContact C-N 3.34Å; E735-L737 PolarHBondContact O-N 3.34Å; L737-T741 PolarHBondContact O-N 3.24Å; L737-T741 PolarHBondContact O-OG1 2.96Å; L737-L783 HydrophobicContact CD2-CD1 3.9Å; L737-A786 HydrophobicContact CD2-CB 4.44Å; L737-A786 HydrophobicContact CG-CB 4.14Å; L737-I787 HydrophobicContact CD2-CG1 3.8Å; L737-F790 HydrophobicContact CD1-CB 3.86Å; L737-F790 HydrophobicContact CD1-CD1 4.39Å; L737-F790 HydrophobicContact CD1-CG 4.12Å; L737-L936 HydrophobicContact CD2-CD1 4.2Å
738	V	66.9	Low	63.4	Low	8 Å²	8	49.6 Å²	49.6	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-46.8	176.7	172.6	0	0	0	0	110.9	L734 E735 L740 T741 E742 I972 K973	L734-V738 WeakPolarHBondContact O-CG2 3.42Å; L734-V738 PolarHBondContact O-N 3.22Å; E735-V738 PolarHBondContact O-N 2.86Å; V738-L740 VanDerWaalsContact C-N 3.33Å; V738-L740 PolarHBondContact O-N 2.96Å; V738-T741 PolarHBondContact O-N 3.49Å; V738-T741 PolarHBondContact O-OG1 3.36Å; V738-E742 HydrophobicContact CG1-CG 4.48Å; V738-E742 PolarHBondContact O-N 3.49Å; V738-I972 HydrophobicContact CG2-CG2 3.73Å; V738-K973 HydrophobicContact CG1-CB 4.31Å; V738-K973 HydrophobicContact CG1-CG 4.31Å
739	H	68.2	Low	62.9	Low	122 Å²	122	54 Å²	54	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-62.1	-39.4	-178.2	-166.4	-43.1	0	0	0	112.4	E735 V736 E742 T743	E735-H739 WeakPolarHBondContact O-CB 3.48Å; E735-H739 PolarHBondContact O-N 2.84Å; V736-H739 PolarHBondContact O-N 3.26Å; H739-E742 PolarHBondContact O-N 3.32Å; H739-T743 PolarHBondContact O-N 3.05Å; H739-T743 PolarHBondContact O-OG1 3.11Å; H739-T743 VanDerWaalsContact O-OG1 3.09Å
740	L	66.9	Low	62.3	Low	27 Å²	27	58.3 Å²	58.3	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-49.4	174.3	-85.6	165.6	0	0	0	111.1	V736 V738 E742 T743 Y744 F779 K782 A786	V736-L740 HydrophobicContact CG1-CD1 4.08Å; V736-L740 WeakPolarHBondContact O-CB 3.33Å; V736-L740 PolarHBondContact O-N 3.33Å; V738-L740 VanDerWaalsContact C-N 3.33Å; V738-L740 PolarHBondContact O-N 2.96Å; L740-E742 VanDerWaalsContact C-N 3.33Å; L740-E742 PolarHBondContact O-N 2.84Å; L740-T743 PolarHBondContact O-N 3.3Å; L740-T743 PolarHBondContact O-OG1 3.45Å; L740-Y744 PolarHBondContact O-N 2.9Å; L740-Y744 VanDerWaalsContact O-N 3.13Å; L740-F779 HydrophobicContact CB-CE2 4.06Å; L740-F779 HydrophobicContact CD2-CD2 4.32Å; L740-F779 HydrophobicContact CD2-CE2 4.17Å; L740-F779 WeakPolarHBondContact O-CE2 3.39Å; L740-K782 HydrophobicContact CD2-CB 4Å; L740-A786 HydrophobicContact CD1-CB 3.74Å
741	T	64.4	Low	61.4	Low	7 Å²	7	61.1 Å²	61.1	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-34.2	177.5	41.9	0	0	0	0	113.9	L737 V738 Y744 E745 L936 I940	L737-T741 PolarHBondContact O-N 3.24Å; L737-T741 PolarHBondContact O-OG1 2.96Å; V738-T741 PolarHBondContact O-N 3.49Å; V738-T741 PolarHBondContact O-OG1 3.36Å; T741-Y744 PolarHBondContact O-N 3.49Å; T741-E745 PolarHBondContact O-N 3.36Å; T741-L936 HydrophobicContact CG2-CD2 4.05Å; T741-I940 HydrophobicContact CG2-CD1 4.26Å
742	E	65.6	Low	60.4	Low	49 Å²	49	65.3 Å²	65.3	23%	0.229	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-40.9	175.3	-71.6	-172.1	164.1	0	0	112.4	V738 H739 L740 Y744 E745 Q746 L969 K973	V738-E742 HydrophobicContact CG1-CG 4.48Å; V738-E742 PolarHBondContact O-N 3.49Å; H739-E742 PolarHBondContact O-N 3.32Å; L740-E742 VanDerWaalsContact C-N 3.33Å; L740-E742 PolarHBondContact O-N 2.84Å; E742-Y744 VanDerWaalsContact C-N 3.29Å; E742-Y744 PolarHBondContact O-N 2.9Å; E742-E745 PolarHBondContact O-N 2.82Å; E742-Q746 WeakPolarHBondContact O-CG 3.31Å; E742-Q746 PolarHBondContact O-N 2.72Å; E742-L969 HydrophobicContact CG-CD2 4.02Å; E742-K973 VanDerWaalsContact OE1-CD 3.27Å; E742-K973 WeakPolarHBondContact OE1-CD 3.42Å; E742-K973 WeakPolarHBondContact OE1-CE 3.38Å; E742-K973 IonicContact OE1-NZ 3.46Å; E742-K973 PolarHBondContact OE1-NZ 3.3Å; E742-K973 IonicContact OE2-NZ 3.28Å; E742-K973 PolarHBondContact OE2-NZ 2.8Å
743	T	64.8	Low	59.3	Low	52 Å²	52	64.8 Å²	64.8	32%	0.319	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-32.9	174.8	44.4	0	0	0	0	113	H739 L740 H747	H739-T743 PolarHBondContact O-N 3.05Å; H739-T743 PolarHBondContact O-OG1 3.11Å; H739-T743 VanDerWaalsContact O-OG1 3.09Å; L740-T743 PolarHBondContact O-N 3.3Å; L740-T743 PolarHBondContact O-OG1 3.45Å; T743-H747 WeakPolarHBondContact O-CB 3.31Å; T743-H747 PolarHBondContact O-N 2.84Å
744	Y	63.7	Low	57.9	Low	41 Å²	41	69.9 Å²	69.9	16%	0.161	36%	0.36	C	S	.	.	H	α-helix	trans	-73	-39.8	175.9	-173.1	-108.4	0	0	0	112.3	L740 T741 E742 Q746 H747 I748 E776 F779	L740-Y744 PolarHBondContact O-N 2.9Å; L740-Y744 VanDerWaalsContact O-N 3.13Å; T741-Y744 PolarHBondContact O-N 3.49Å; E742-Y744 VanDerWaalsContact C-N 3.29Å; E742-Y744 PolarHBondContact O-N 2.9Å; Y744-Q746 VanDerWaalsContact C-N 3.31Å; Y744-Q746 PolarHBondContact O-N 3.19Å; Y744-H747 PolarHBondContact O-N 3.33Å; Y744-I748 HydrophobicContact CD1-CD1 3.88Å; Y744-I748 HydrophobicContact CE1-CD1 3.5Å; Y744-I748 VanDerWaalsContact CE1-CD1 3.5Å; Y744-I748 HydrophobicContact CE2-CD1 4.46Å; Y744-I748 WeakPolarHBondContact O-CG1 3.04Å; Y744-I748 PolarHBondContact O-N 3.39Å; Y744-I748 VanDerWaalsContact O-N 3.09Å; Y744-E776 HydrophobicContact CE2-CG 4.08Å; Y744-E776 PolarHBondContact OH-OE1 2.95Å; Y744-F779 HydrophobicContact CD1-CD1 4.43Å; Y744-F779 AromaticContact CD1-CE1 3.85Å; Y744-F779 HydrophobicContact CD1-CE1 3.85Å; Y744-F779 HydrophobicContact CD1-CZ 4.25Å; Y744-F779 HydrophobicContact CD2-CB 4.4Å; Y744-F779 AromaticContact CD2-CD1 3.36Å; Y744-F779 HydrophobicContact CD2-CD1 3.36Å; Y744-F779 HydrophobicContact CD2-CD2 4.19Å; Y744-F779 AromaticContact CD2-CE1 3.58Å; Y744-F779 HydrophobicContact CD2-CE1 3.58Å; Y744-F779 HydrophobicContact CD2-CE2 4.39Å; Y744-F779 AromaticContact CD2-CG 3.7Å; Y744-F779 HydrophobicContact CD2-CG 3.7Å; Y744-F779 HydrophobicContact CD2-CZ 4.11Å; Y744-F779 HydrophobicContact CE1-CE1 4.23Å; Y744-F779 AromaticContact CE2-CD1 3.6Å; Y744-F779 HydrophobicContact CE2-CD1 3.6Å; Y744-F779 HydrophobicContact CE2-CE1 4Å; Y744-F779 HydrophobicContact CE2-CG 4.21Å; Y744-F779 AromaticContact CG-CD1 3.82Å; Y744-F779 HydrophobicContact CG-CD1 3.82Å; Y744-F779 HydrophobicContact CG-CD2 4.48Å; Y744-F779 AromaticContact CG-CE1 3.49Å; Y744-F779 HydrophobicContact CG-CE1 3.49Å; Y744-F779 VanDerWaalsContact CG-CE1 3.49Å; Y744-F779 HydrophobicContact CG-CE2 4.21Å; Y744-F779 HydrophobicContact CG-CG 4.31Å; Y744-F779 AromaticContact CG-CZ 3.72Å; Y744-F779 HydrophobicContact CG-CZ 3.72Å
745	E	59.8	Low	56.4	Low	64 Å²	64	74.3 Å²	74.3	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-40.2	173.7	-142.8	-172.4	-134	0	0	111	T741 E742 H749	T741-E745 PolarHBondContact O-N 3.36Å; E742-E745 PolarHBondContact O-N 2.82Å; E745-H749 WeakPolarHBondContact O-CB 2.94Å; E745-H749 PolarHBondContact O-N 3.02Å
746	Q	59	Low	54.7	Low	127 Å²	127	74.7 Å²	74.7	59%	0.593	40%	0.397	S	S	*	.	H	α-helix	trans	-64.7	-47.1	174.4	-74.2	178.5	-27.2	0	0	112.8	E742 Y744 I748 H749 E750	E742-Q746 WeakPolarHBondContact O-CG 3.31Å; E742-Q746 PolarHBondContact O-N 2.72Å; Y744-Q746 VanDerWaalsContact C-N 3.31Å; Y744-Q746 PolarHBondContact O-N 3.19Å; Q746-I748 VanDerWaalsContact C-N 3.3Å; Q746-I748 PolarHBondContact O-N 3.43Å; Q746-H749 WeakPolarHBondContact O-CA 3.31Å; Q746-H749 WeakPolarHBondContact O-CB 3.48Å; Q746-H749 PolarHBondContact O-N 2.95Å; Q746-E750 PolarHBondContact O-N 3.33Å
747	H	56	Low	52.8	Low	112 Å²	112	76.6 Å²	76.6	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-38	-178.7	-132.1	-37.1	0	0	0	112.3	T743 Y744 S751	T743-H747 WeakPolarHBondContact O-CB 3.31Å; T743-H747 PolarHBondContact O-N 2.84Å; Y744-H747 PolarHBondContact O-N 3.33Å; H747-S751 PolarHBondContact O-N 2.69Å
748	I	53.3	Low	51.1	Low	49 Å²	49	83.5 Å²	83.5	25%	0.251	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-45	170.5	-71.2	173.2	0	0	0	110.2	Y744 Q746 E750 S751 L752	Y744-I748 HydrophobicContact CD1-CD1 3.88Å; Y744-I748 HydrophobicContact CE1-CD1 3.5Å; Y744-I748 VanDerWaalsContact CE1-CD1 3.5Å; Y744-I748 HydrophobicContact CE2-CD1 4.46Å; Y744-I748 WeakPolarHBondContact O-CG1 3.04Å; Y744-I748 PolarHBondContact O-N 3.39Å; Y744-I748 VanDerWaalsContact O-N 3.09Å; Q746-I748 VanDerWaalsContact C-N 3.3Å; Q746-I748 PolarHBondContact O-N 3.43Å; I748-E750 PolarHBondContact O-N 3.25Å; I748-S751 PolarHBondContact O-N 2.84Å; I748-S751 PolarHBondContact O-OG 2.78Å; I748-L752 PolarHBondContact O-N 2.84Å
749	H	49.7	Very low	49.5	Very low	118 Å²	118	92.2 Å²	92.2	55%	0.546	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-35.2	-177.3	-148.9	-54.4	0	0	0	113.5	E745 Q746 L752 V753	E745-H749 WeakPolarHBondContact O-CB 2.94Å; E745-H749 PolarHBondContact O-N 3.02Å; Q746-H749 WeakPolarHBondContact O-CA 3.31Å; Q746-H749 WeakPolarHBondContact O-CB 3.48Å; Q746-H749 PolarHBondContact O-N 2.95Å; H749-L752 PolarHBondContact O-N 2.85Å; H749-V753 VanDerWaalsContact O-CG2 3.27Å; H749-V753 WeakPolarHBondContact O-CG2 3.43Å; H749-V753 PolarHBondContact O-N 3.01Å; H749-V753 VanDerWaalsContact O-N 3.11Å
750	E	46	Very low	47.7	Very low	131 Å²	131	91 Å²	91	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-67.7	-44.5	173.7	-70.6	-173.1	147.8	0	0	111.6	Q746 I748 L752 V753 T754	Q746-E750 PolarHBondContact O-N 3.33Å; I748-E750 PolarHBondContact O-N 3.25Å; E750-L752 PolarHBondContact O-N 3.33Å; E750-V753 PolarHBondContact O-N 2.78Å; E750-V753 VanDerWaalsContact O-N 3.12Å; E750-T754 PolarHBondContact O-N 2.84Å; E750-T754 VanDerWaalsContact O-N 3.13Å; E750-T754 PolarHBondContact O-OG1 2.88Å
751	S	45.3	Very low	46	Very low	66 Å²	66	96.4 Å²	96.4	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-30.9	176.5	71.7	0	0	0	0	113.2	H747 I748 T754	H747-S751 PolarHBondContact O-N 2.69Å; I748-S751 PolarHBondContact O-N 2.84Å; I748-S751 PolarHBondContact O-OG 2.78Å; S751-T754 PolarHBondContact O-OG1 3.18Å
752	L	41.3	Very low	44.3	Very low	90 Å²	90	102.2 Å²	102.2	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-77.7	-33	176.2	-135.8	75.9	0	0	0	112.9	I748 H749 E750 T755	I748-L752 PolarHBondContact O-N 2.84Å; H749-L752 PolarHBondContact O-N 2.85Å; E750-L752 PolarHBondContact O-N 3.33Å; L752-T755 PolarHBondContact O-N 3.32Å; L752-T755 PolarHBondContact O-OG1 3.41Å
753	V	39.3	Very low	42.6	Very low	88 Å²	88	105.3 Å²	105.3	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-73.5	-32	179.3	166.3	0	0	0	0	111.7	H749 E750 T755	H749-V753 VanDerWaalsContact O-CG2 3.27Å; H749-V753 WeakPolarHBondContact O-CG2 3.43Å; H749-V753 PolarHBondContact O-N 3.01Å; H749-V753 VanDerWaalsContact O-N 3.11Å; E750-V753 PolarHBondContact O-N 2.78Å; E750-V753 VanDerWaalsContact O-N 3.12Å; V753-T755 PolarHBondContact O-N 3.25Å; V753-T755 VanDerWaalsContact O-N 3.14Å
754	T	37.9	Very low	41	Very low	115 Å²	115	110.2 Å²	110.2	71%	0.706	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-4.5	175	39.3	0	0	0	0	115.1	E750 S751	E750-T754 PolarHBondContact O-N 2.84Å; E750-T754 VanDerWaalsContact O-N 3.13Å; E750-T754 PolarHBondContact O-OG1 2.88Å; S751-T754 PolarHBondContact O-OG1 3.18Å
755	T	34.5	Very low	39.2	Very low	106 Å²	106	115.5 Å²	115.5	65%	0.65	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	5.5	-177.7	45.2	0	0	0	0	116	L752 V753	L752-T755 PolarHBondContact O-N 3.32Å; L752-T755 PolarHBondContact O-OG1 3.41Å; V753-T755 PolarHBondContact O-N 3.25Å; V753-T755 VanDerWaalsContact O-N 3.14Å
756	T	30.1	Very low	37.5	Very low	112 Å²	112	115.6 Å²	115.6	69%	0.687	65%	0.649	S	S	*	*	S	Bend	trans	-128.6	28.4	-173.2	58.4	0	0	0	0	116.8
757	T	29.3	Very low	35.9	Very low	121 Å²	121	116 Å²	116	74%	0.742	66%	0.66	S	S	*	*	S	Bend	trans	-144.8	68.7	170.5	55	0	0	0	0	115.2
758	T	31.5	Very low	34.8	Very low	148 Å²	148	118 Å²	118	91%	0.908	67%	0.673	S	S	*	*	S	Bend	trans	-166.6	155.4	145.1	20.3	0	0	0	0	110.2
759	H	32.5	Very low	33.7	Very low	192 Å²	192	122.4 Å²	122.4	89%	0.889	70%	0.695	S	S	*	*			trans	-72.4	162.1	-178.2	-75.6	-76.1	0	0	0	114
760	S	30.1	Very low	33	Very low	97 Å²	97	121.6 Å²	121.6	68%	0.678	70%	0.695	S	S	*	*			trans	-81.6	133.9	-163.9	54.6	0	0	0	0	116.1
761	N	31.1	Very low	32.6	Very low	140 Å²	140	121.2 Å²	121.2	75%	0.749	70%	0.697	S	S	*	*			trans	66.2	145	149.9	-54.9	-1.7	0	0	0	116.7
762	N	30.3	Very low	32.4	Very low	128 Å²	128	122.5 Å²	122.5	68%	0.684	71%	0.706	S	S	*	*			cis	-167.4	169.7	-7.5	-112.7	4.1	0	0	0	107.6
763	N	28.5	Very low	32.4	Very low	114 Å²	114	124.4 Å²	124.4	61%	0.61	71%	0.713	S	S	*	*			cis	-156.4	154.9	2.9	-147.7	-6.2	0	0	0	109.5
764	N	31	Very low	32.5	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	72%	0.717	S	S	*	*			trans	-171.2	156.1	139.9	-107.5	-26.4	0	0	0	113.6
765	N	25.8	Very low	33.2	Very low	151 Å²	151	124.6 Å²	124.6	81%	0.807	71%	0.706	S	S	*	*			trans	-84.8	154.4	-164	-56	-41.9	0	0	0	114.7
766	G	24.6	Very low	34.1	Very low	67 Å²	67	122 Å²	122	69%	0.691	69%	0.686	S	S	*	*			trans	143.5	100	148.4	0	0	0	0	0	117.1
767	T	26.5	Very low	35.7	Very low	135 Å²	135	122 Å²	122	83%	0.828	68%	0.682	S	S	*	*			trans	33.7	110.9	148	54.1	0	0	0	0	119.8
768	I	31.7	Very low	37.3	Very low	155 Å²	155	120.8 Å²	120.8	80%	0.795	67%	0.668	S	S	*	*				-148.6	122.1	114.6	-94.6	146.6	0	0	0	107.9
769	I	30	Very low	38.9	Very low	140 Å²	140	114.6 Å²	114.6	72%	0.718	63%	0.628	S	S	*	*			trans	-114.4	156.6	163.8	-56.2	175.3	0	0	0	105.5
770	N	35.4	Very low	40.4	Very low	102 Å²	102	109.6 Å²	109.6	55%	0.545	60%	0.604	S	S	.	*	S	Bend	trans	120.3	-22.7	163.8	-59.1	-7	0	0	0	116.6	S772	N770-S772 PolarHBondContact O-N 3.14Å
771	N	36.9	Very low	42.4	Very low	123 Å²	123	111.4 Å²	111.4	66%	0.658	60%	0.601	S	S	*	*	H	α-helix	trans	-78.7	-19.4	-172.6	-76.7	9.2	0	0	0	115.4
772	S	43.1	Very low	44.3	Very low	93 Å²	93	109.2 Å²	109.2	65%	0.65	59%	0.585	S	S	*	*	H	α-helix	trans	-79.8	-46.6	177.5	47.7	0	0	0	0	112.7	N770 L774 N775 E776	N770-S772 PolarHBondContact O-N 3.14Å; S772-L774 VanDerWaalsContact C-N 3.3Å; S772-L774 PolarHBondContact O-N 3Å; S772-N775 PolarHBondContact O-N 2.92Å; S772-E776 PolarHBondContact O-N 3.2Å; S772-E776 VanDerWaalsContact O-N 3.15Å
773	E	41	Very low	46.1	Very low	130 Å²	130	103.5 Å²	103.5	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-35	-178.2	-63.3	-174.9	141.5	0	0	112.2	E776 L777	E773-E776 PolarHBondContact O-N 2.92Å; E773-L777 WeakPolarHBondContact O-CB 3.26Å; E773-L777 PolarHBondContact O-N 3.43Å
774	L	40.9	Very low	48.1	Very low	119 Å²	119	102.4 Å²	102.4	62%	0.623	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-41.3	-179.6	-133.5	156.3	0	0	0	111.7	S772 L777 E778	S772-L774 VanDerWaalsContact C-N 3.3Å; S772-L774 PolarHBondContact O-N 3Å; L774-L777 PolarHBondContact O-N 3.48Å; L774-E778 PolarHBondContact O-N 3.16Å
775	N	52.3	Low	50.3	Low	87 Å²	87	98.9 Å²	98.9	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-35.6	172.8	-74.6	6.9	0	0	0	112.1	S772 F779	S772-N775 PolarHBondContact O-N 2.92Å; N775-F779 WeakPolarHBondContact O-CB 3.28Å; N775-F779 PolarHBondContact O-N 3.3Å
776	E	54.4	Low	52.3	Low	51 Å²	51	92.1 Å²	92.1	24%	0.238	51%	0.505	C	S	.	.	H	α-helix	trans	-70.9	-35	177.1	-152.4	-160.9	152	0	0	112.3	Y744 S772 E773 K780	Y744-E776 HydrophobicContact CE2-CG 4.08Å; Y744-E776 PolarHBondContact OH-OE1 2.95Å; S772-E776 PolarHBondContact O-N 3.2Å; S772-E776 VanDerWaalsContact O-N 3.15Å; E773-E776 PolarHBondContact O-N 2.92Å; E776-K780 WeakPolarHBondContact O-CB 3.48Å; E776-K780 WeakPolarHBondContact O-CG 3.49Å; E776-K780 PolarHBondContact O-N 2.82Å; E776-K780 WeakPolarHBondContact OE1-CE 3.24Å; E776-K780 IonicContact OE1-NZ 2.6Å; E776-K780 PolarHBondContact OE1-NZ 2.62Å; E776-K780 IonicContact OE2-NZ 3.67Å
777	L	61.8	Low	54.5	Low	114 Å²	114	90.1 Å²	90.1	60%	0.597	48%	0.478	S	S	*	.	H	α-helix	trans	-65.9	-48.7	174	-147	90.8	0	0	0	110.7	E773 L774 F779 K780 E781	E773-L777 WeakPolarHBondContact O-CB 3.26Å; E773-L777 PolarHBondContact O-N 3.43Å; L774-L777 PolarHBondContact O-N 3.48Å; L777-F779 VanDerWaalsContact C-N 3.28Å; L777-F779 PolarHBondContact O-N 3.15Å; L777-K780 WeakPolarHBondContact O-CB 3.42Å; L777-K780 PolarHBondContact O-N 2.8Å; L777-K780 VanDerWaalsContact O-N 3.13Å; L777-E781 PolarHBondContact O-N 2.67Å
778	E	64.6	Low	56.8	Low	95 Å²	95	90 Å²	90	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-62.1	-36.4	177.6	-157.4	-156	-174.4	0	0	111.5	L774 E781 K782	L774-E778 PolarHBondContact O-N 3.16Å; E778-E781 PolarHBondContact O-N 2.86Å; E778-K782 HydrophobicContact CG-CD 4.36Å; E778-K782 WeakPolarHBondContact O-CB 3.31Å; E778-K782 VanDerWaalsContact O-CG 3.27Å; E778-K782 WeakPolarHBondContact O-CG 3.47Å; E778-K782 PolarHBondContact O-N 3.18Å; E778-K782 WeakPolarHBondContact OE1-CE 3.31Å; E778-K782 IonicContact OE1-NZ 3.7Å; E778-K782 PolarHBondContact OE1-NZ 3.26Å; E778-K782 IonicContact OE2-NZ 3.66Å; E778-K782 PolarHBondContact OE2-NZ 3.26Å
779	F	64.4	Low	58.8	Low	18 Å²	18	86.5 Å²	86.5	8%	0.079	45%	0.449	C	S	.	.	H	α-helix	trans	-64	-46.2	171.8	177.5	-108.4	0	0	0	112.3	L740 Y744 N775 L777 E781 K782 L783 I940	L740-F779 HydrophobicContact CB-CE2 4.06Å; L740-F779 HydrophobicContact CD2-CD2 4.32Å; L740-F779 HydrophobicContact CD2-CE2 4.17Å; L740-F779 WeakPolarHBondContact O-CE2 3.39Å; Y744-F779 HydrophobicContact CD1-CD1 4.43Å; Y744-F779 AromaticContact CD1-CE1 3.85Å; Y744-F779 HydrophobicContact CD1-CE1 3.85Å; Y744-F779 HydrophobicContact CD1-CZ 4.25Å; Y744-F779 HydrophobicContact CD2-CB 4.4Å; Y744-F779 AromaticContact CD2-CD1 3.36Å; Y744-F779 HydrophobicContact CD2-CD1 3.36Å; Y744-F779 HydrophobicContact CD2-CD2 4.19Å; Y744-F779 AromaticContact CD2-CE1 3.58Å; Y744-F779 HydrophobicContact CD2-CE1 3.58Å; Y744-F779 HydrophobicContact CD2-CE2 4.39Å; Y744-F779 AromaticContact CD2-CG 3.7Å; Y744-F779 HydrophobicContact CD2-CG 3.7Å; Y744-F779 HydrophobicContact CD2-CZ 4.11Å; Y744-F779 HydrophobicContact CE1-CE1 4.23Å; Y744-F779 AromaticContact CE2-CD1 3.6Å; Y744-F779 HydrophobicContact CE2-CD1 3.6Å; Y744-F779 HydrophobicContact CE2-CE1 4Å; Y744-F779 HydrophobicContact CE2-CG 4.21Å; Y744-F779 AromaticContact CG-CD1 3.82Å; Y744-F779 HydrophobicContact CG-CD1 3.82Å; Y744-F779 HydrophobicContact CG-CD2 4.48Å; Y744-F779 AromaticContact CG-CE1 3.49Å; Y744-F779 HydrophobicContact CG-CE1 3.49Å; Y744-F779 VanDerWaalsContact CG-CE1 3.49Å; Y744-F779 HydrophobicContact CG-CE2 4.21Å; Y744-F779 HydrophobicContact CG-CG 4.31Å; Y744-F779 AromaticContact CG-CZ 3.72Å; Y744-F779 HydrophobicContact CG-CZ 3.72Å; N775-F779 WeakPolarHBondContact O-CB 3.28Å; N775-F779 PolarHBondContact O-N 3.3Å; L777-F779 VanDerWaalsContact C-N 3.28Å; L777-F779 PolarHBondContact O-N 3.15Å; F779-E781 VanDerWaalsContact C-N 3.32Å; F779-E781 PolarHBondContact O-N 3.15Å; F779-K782 PolarHBondContact O-N 3.33Å; F779-L783 HydrophobicContact CE1-CD2 4.38Å; F779-L783 HydrophobicContact CZ-CD1 4.49Å; F779-L783 HydrophobicContact CZ-CD2 4.49Å; F779-L783 VanDerWaalsContact O-CB 3.27Å; F779-L783 WeakPolarHBondContact O-CB 3.49Å; F779-L783 PolarHBondContact O-N 3.09Å; F779-I940 HydrophobicContact CE1-CD1 4.19Å; F779-I940 HydrophobicContact CZ-CD1 4.44Å
780	K	64	Low	60.7	Low	86 Å²	86	80.2 Å²	80.2	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-59.7	-40	176	-83.4	163.3	169.5	153.6	0	111.8	E776 L777 T784	E776-K780 WeakPolarHBondContact O-CB 3.48Å; E776-K780 WeakPolarHBondContact O-CG 3.49Å; E776-K780 PolarHBondContact O-N 2.82Å; E776-K780 WeakPolarHBondContact OE1-CE 3.24Å; E776-K780 IonicContact OE1-NZ 2.6Å; E776-K780 PolarHBondContact OE1-NZ 2.62Å; E776-K780 IonicContact OE2-NZ 3.67Å; L777-K780 WeakPolarHBondContact O-CB 3.42Å; L777-K780 PolarHBondContact O-N 2.8Å; L777-K780 VanDerWaalsContact O-N 3.13Å; K780-T784 VanDerWaalsContact O-CB 3.3Å; K780-T784 WeakPolarHBondContact O-CB 3.38Å; K780-T784 PolarHBondContact O-N 3.3Å; K780-T784 PolarHBondContact O-OG1 3.41Å
781	E	72.6	Confident	62.3	Low	135 Å²	135	78 Å²	78	63%	0.631	40%	0.404	S	S	*	.	H	α-helix	trans	-66.4	-49.9	174.5	-70.9	-165.9	153.7	0	0	112.5	L777 E778 F779 L783 T784 S785	L777-E781 PolarHBondContact O-N 2.67Å; E778-E781 PolarHBondContact O-N 2.86Å; F779-E781 VanDerWaalsContact C-N 3.32Å; F779-E781 PolarHBondContact O-N 3.15Å; E781-L783 VanDerWaalsContact C-N 3.33Å; E781-L783 PolarHBondContact O-N 3.15Å; E781-T784 PolarHBondContact O-N 2.65Å; E781-S785 WeakPolarHBondContact O-CB 3.45Å; E781-S785 PolarHBondContact O-N 3.14Å
782	K	69.9	Low	64	Low	95 Å²	95	76.2 Å²	76.2	41%	0.413	40%	0.395	S	S	.	.	H	α-helix	trans	-57.5	-44.4	177.7	-75.3	168.3	-179.5	168.1	0	111.8	L740 E778 F779 A786	L740-K782 HydrophobicContact CD2-CB 4Å; E778-K782 HydrophobicContact CG-CD 4.36Å; E778-K782 WeakPolarHBondContact O-CB 3.31Å; E778-K782 VanDerWaalsContact O-CG 3.27Å; E778-K782 WeakPolarHBondContact O-CG 3.47Å; E778-K782 PolarHBondContact O-N 3.18Å; E778-K782 WeakPolarHBondContact OE1-CE 3.31Å; E778-K782 IonicContact OE1-NZ 3.7Å; E778-K782 PolarHBondContact OE1-NZ 3.26Å; E778-K782 IonicContact OE2-NZ 3.66Å; E778-K782 PolarHBondContact OE2-NZ 3.26Å; F779-K782 PolarHBondContact O-N 3.33Å; K782-A786 WeakPolarHBondContact O-CB 3.47Å; K782-A786 PolarHBondContact O-N 3.46Å
783	L	67.6	Low	65.2	Low	7 Å²	7	74.5 Å²	74.5	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-47.3	176	-176.7	74.9	0	0	0	112	L737 F779 E781 S785 A786 I787 I940	L737-L783 HydrophobicContact CD2-CD1 3.9Å; F779-L783 HydrophobicContact CE1-CD2 4.38Å; F779-L783 HydrophobicContact CZ-CD1 4.49Å; F779-L783 HydrophobicContact CZ-CD2 4.49Å; F779-L783 VanDerWaalsContact O-CB 3.27Å; F779-L783 WeakPolarHBondContact O-CB 3.49Å; F779-L783 PolarHBondContact O-N 3.09Å; E781-L783 VanDerWaalsContact C-N 3.33Å; E781-L783 PolarHBondContact O-N 3.15Å; L783-S785 VanDerWaalsContact C-N 3.29Å; L783-S785 PolarHBondContact O-N 2.95Å; L783-A786 PolarHBondContact O-N 2.83Å; L783-A786 VanDerWaalsContact O-N 3.13Å; L783-I787 HydrophobicContact CD2-CD1 4.46Å; L783-I787 HydrophobicContact CG-CD1 4.03Å; L783-I787 WeakPolarHBondContact O-CG1 3.43Å; L783-I787 PolarHBondContact O-N 2.98Å; L783-I940 HydrophobicContact CD2-CD1 3.34Å
784	T	72	Confident	66.3	Low	92 Å²	92	69.8 Å²	69.8	56%	0.564	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-38.9	-179.6	-57	0	0	0	0	111.1	K780 E781 K788	K780-T784 VanDerWaalsContact O-CB 3.3Å; K780-T784 WeakPolarHBondContact O-CB 3.38Å; K780-T784 PolarHBondContact O-N 3.3Å; K780-T784 PolarHBondContact O-OG1 3.41Å; E781-T784 PolarHBondContact O-N 2.65Å; T784-K788 WeakPolarHBondContact O-CB 3Å; T784-K788 PolarHBondContact O-N 2.72Å
785	S	75.8	Confident	67.5	Low	81 Å²	81	68.1 Å²	68.1	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-42.9	172.5	-170.2	0	0	0	0	112.2	E781 L783 K788 N789	E781-S785 WeakPolarHBondContact O-CB 3.45Å; E781-S785 PolarHBondContact O-N 3.14Å; L783-S785 VanDerWaalsContact C-N 3.29Å; L783-S785 PolarHBondContact O-N 2.95Å; S785-K788 PolarHBondContact O-N 3.34Å; S785-N789 WeakPolarHBondContact O-CB 3.22Å; S785-N789 PolarHBondContact O-N 3.43Å
786	A	69	Low	68	Low	9 Å²	9	68.1 Å²	68.1	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-42.7	177	0	0	0	0	0	113	V736 L737 L740 K782 L783 K788 N789 F790	V736-A786 HydrophobicContact CG1-CB 4.29Å; L737-A786 HydrophobicContact CD2-CB 4.44Å; L737-A786 HydrophobicContact CG-CB 4.14Å; L740-A786 HydrophobicContact CD1-CB 3.74Å; K782-A786 WeakPolarHBondContact O-CB 3.47Å; K782-A786 PolarHBondContact O-N 3.46Å; L783-A786 PolarHBondContact O-N 2.83Å; L783-A786 VanDerWaalsContact O-N 3.13Å; A786-K788 VanDerWaalsContact C-N 3.33Å; A786-K788 PolarHBondContact O-N 2.88Å; A786-N789 PolarHBondContact O-N 3.23Å; A786-F790 WeakPolarHBondContact O-CB 3.4Å; A786-F790 PolarHBondContact O-N 2.83Å
787	I	69.7	Low	68.2	Low	26 Å²	26	67.1 Å²	67.1	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-45	173.2	-66.7	170.8	0	0	0	110.3	L737 L783 F790 N791 I933 L937	L737-I787 HydrophobicContact CD2-CG1 3.8Å; L783-I787 HydrophobicContact CD2-CD1 4.46Å; L783-I787 HydrophobicContact CG-CD1 4.03Å; L783-I787 WeakPolarHBondContact O-CG1 3.43Å; L783-I787 PolarHBondContact O-N 2.98Å; I787-F790 PolarHBondContact O-N 3.42Å; I787-N791 PolarHBondContact O-N 2.9Å; I787-I933 HydrophobicContact CD1-CG2 4.25Å; I787-I933 HydrophobicContact CG2-CD1 4.17Å; I787-I933 HydrophobicContact CG2-CG1 4.43Å; I787-I933 HydrophobicContact CG2-CG2 4Å; I787-L937 HydrophobicContact CD1-CD2 4.16Å; I787-L937 HydrophobicContact CD1-CG 4.48Å
788	K	75	Confident	67.7	Low	132 Å²	132	66.5 Å²	66.5	57%	0.574	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-50.8	177.8	-172.9	-176.3	173.6	-175.2	0	111.5	T784 S785 A786 F790 N791 D792	T784-K788 WeakPolarHBondContact O-CB 3Å; T784-K788 PolarHBondContact O-N 2.72Å; S785-K788 PolarHBondContact O-N 3.34Å; A786-K788 VanDerWaalsContact C-N 3.33Å; A786-K788 PolarHBondContact O-N 2.88Å; K788-F790 VanDerWaalsContact C-N 3.31Å; K788-F790 PolarHBondContact O-N 3.23Å; K788-N791 PolarHBondContact O-N 2.93Å; K788-N791 VanDerWaalsContact O-N 3.13Å; K788-D792 WeakPolarHBondContact O-CB 3.42Å; K788-D792 VanDerWaalsContact O-CG 3.28Å; K788-D792 PolarHBondContact O-N 3.44Å
789	N	73.9	Confident	67.3	Low	81 Å²	81	67.8 Å²	67.8	43%	0.433	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-40.7	178.5	-177.1	28.3	0	0	0	112.3	S785 A786 D792 K793	S785-N789 WeakPolarHBondContact O-CB 3.22Å; S785-N789 PolarHBondContact O-N 3.43Å; A786-N789 PolarHBondContact O-N 3.23Å; N789-D792 PolarHBondContact O-N 3.37Å; N789-K793 WeakPolarHBondContact O-CB 3.18Å; N789-K793 VanDerWaalsContact O-CG 3.27Å; N789-K793 WeakPolarHBondContact O-CG 3.34Å; N789-K793 PolarHBondContact O-N 3.45Å
790	F	69.6	Low	66.6	Low	9 Å²	9	69.9 Å²	69.9	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.6	173.2	-108.1	0	0	0	112.5	I730 A733 L734 L737 A786 I787 K788 K793 H794 P929 I933	I730-F790 HydrophobicContact CG2-CE2 3.95Å; A733-F790 HydrophobicContact CB-CB 4.01Å; A733-F790 HydrophobicContact CB-CD2 4.04Å; L734-F790 HydrophobicContact CD1-CE2 3.9Å; L734-F790 HydrophobicContact CD1-CZ 4.48Å; L734-F790 HydrophobicContact CD2-CD2 4.07Å; L734-F790 HydrophobicContact CD2-CE1 4.43Å; L734-F790 HydrophobicContact CD2-CE2 3.56Å; L734-F790 HydrophobicContact CD2-CZ 3.77Å; L734-F790 HydrophobicContact CG-CD2 3.9Å; L734-F790 HydrophobicContact CG-CE2 3.44Å; L734-F790 VanDerWaalsContact CG-CE2 3.44Å; L734-F790 HydrophobicContact CG-CZ 4.15Å; L737-F790 HydrophobicContact CD1-CB 3.86Å; L737-F790 HydrophobicContact CD1-CD1 4.39Å; L737-F790 HydrophobicContact CD1-CG 4.12Å; A786-F790 WeakPolarHBondContact O-CB 3.4Å; A786-F790 PolarHBondContact O-N 2.83Å; I787-F790 PolarHBondContact O-N 3.42Å; K788-F790 VanDerWaalsContact C-N 3.31Å; K788-F790 PolarHBondContact O-N 3.23Å; F790-K793 PolarHBondContact O-N 3.14Å; F790-H794 WeakPolarHBondContact O-CB 3.27Å; F790-H794 PolarHBondContact O-N 2.65Å; F790-P929 HydrophobicContact CE1-CB 3.6Å; F790-P929 HydrophobicContact CZ-CB 4.01Å; F790-I933 HydrophobicContact CD1-CD1 4.15Å; F790-I933 HydrophobicContact CE1-CD1 4.26Å
791	N	69.9	Low	65.7	Low	54 Å²	54	70.1 Å²	70.1	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-43.8	176.2	-75.6	-21	0	0	0	112.2	I787 K788 K793 H794 E795 I933	I787-N791 PolarHBondContact O-N 2.9Å; K788-N791 PolarHBondContact O-N 2.93Å; K788-N791 VanDerWaalsContact O-N 3.13Å; N791-K793 VanDerWaalsContact C-N 3.31Å; N791-K793 PolarHBondContact O-N 2.84Å; N791-H794 PolarHBondContact O-N 3.41Å; N791-E795 PolarHBondContact O-N 3.38Å; N791-I933 WeakPolarHBondContact OD1-CD1 3.35Å
792	D	72.6	Confident	64.4	Low	86 Å²	86	68 Å²	68	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-43.6	176.1	-69.6	-19.4	0	0	0	110.4	K788 N789 E795 E796	K788-D792 WeakPolarHBondContact O-CB 3.42Å; K788-D792 VanDerWaalsContact O-CG 3.28Å; K788-D792 PolarHBondContact O-N 3.44Å; N789-D792 PolarHBondContact O-N 3.37Å; D792-E795 PolarHBondContact O-N 3.45Å; D792-E796 WeakPolarHBondContact O-CB 3.34Å; D792-E796 PolarHBondContact O-N 2.86Å
793	K	67.1	Low	63.1	Low	57 Å²	57	69.2 Å²	69.2	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-71.7	-29.6	177	-68	-69.1	154.1	-155.2	0	114	I730 N789 F790 N791 E796 L797	I730-K793 HydrophobicContact CG1-CB 4.18Å; N789-K793 WeakPolarHBondContact O-CB 3.18Å; N789-K793 VanDerWaalsContact O-CG 3.27Å; N789-K793 WeakPolarHBondContact O-CG 3.34Å; N789-K793 PolarHBondContact O-N 3.45Å; F790-K793 PolarHBondContact O-N 3.14Å; N791-K793 VanDerWaalsContact C-N 3.31Å; N791-K793 PolarHBondContact O-N 2.84Å; K793-E796 VanDerWaalsContact CD-OE2 3.31Å; K793-E796 WeakPolarHBondContact CD-OE2 3.02Å; K793-E796 IonicContact NZ-OE1 2.69Å; K793-E796 PolarHBondContact NZ-OE1 2.93Å; K793-E796 IonicContact NZ-OE2 2.72Å; K793-E796 PolarHBondContact NZ-OE2 2.97Å; K793-L797 PolarHBondContact O-N 2.89Å; K793-L797 VanDerWaalsContact O-N 3.09Å
794	H	64.3	Low	61.6	Low	32 Å²	32	72 Å²	72	15%	0.148	37%	0.369	C	S	.	.	H	α-helix	trans	-70.2	-42	172.5	175.4	-97.8	0	0	0	112.1	F790 N791 E796 L797 K798	F790-H794 WeakPolarHBondContact O-CB 3.27Å; F790-H794 PolarHBondContact O-N 2.65Å; N791-H794 PolarHBondContact O-N 3.41Å; H794-E796 VanDerWaalsContact C-N 3.35Å; H794-L797 PolarHBondContact O-N 2.6Å; H794-K798 VanDerWaalsContact CE1-CE 3.41Å; H794-K798 WeakPolarHBondContact CE1-CE 3.25Å; H794-K798 PolarHBondContact O-N 3.26Å
795	E	66	Low	59.5	Low	83 Å²	83	72.4 Å²	72.4	39%	0.388	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-30.9	172.6	-62.1	-48.4	121	0	0	112.1	N791 D792 K798 Q799	N791-E795 PolarHBondContact O-N 3.38Å; D792-E795 PolarHBondContact O-N 3.45Å; E795-K798 VanDerWaalsContact CD-CD 3.45Å; E795-K798 VanDerWaalsContact CD-NZ 3.26Å; E795-K798 PolarHBondContact O-N 2.78Å; E795-K798 VanDerWaalsContact OE1-CD 3.31Å; E795-K798 WeakPolarHBondContact OE1-CD 3.3Å; E795-K798 WeakPolarHBondContact OE1-CE 3.4Å; E795-K798 IonicContact OE1-NZ 3.96Å; E795-K798 PolarHBondContact OE1-NZ 2.99Å; E795-K798 WeakPolarHBondContact OE2-CD 3.42Å; E795-K798 IonicContact OE2-NZ 2.63Å; E795-K798 PolarHBondContact OE2-NZ 2.89Å; E795-Q799 WeakPolarHBondContact O-CB 3.36Å; E795-Q799 WeakPolarHBondContact O-CG 3.49Å; E795-Q799 PolarHBondContact O-N 2.85Å
796	E	62.9	Low	57.5	Low	88 Å²	88	73.2 Å²	73.2	41%	0.411	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-42.4	170.9	-166.5	177.6	-97	0	0	111.7	D792 K793 H794 Q799 F800	D792-E796 WeakPolarHBondContact O-CB 3.34Å; D792-E796 PolarHBondContact O-N 2.86Å; K793-E796 VanDerWaalsContact CD-OE2 3.31Å; K793-E796 WeakPolarHBondContact CD-OE2 3.02Å; K793-E796 IonicContact NZ-OE1 2.69Å; K793-E796 PolarHBondContact NZ-OE1 2.93Å; K793-E796 IonicContact NZ-OE2 2.72Å; K793-E796 PolarHBondContact NZ-OE2 2.97Å; H794-E796 VanDerWaalsContact C-N 3.35Å; E796-Q799 PolarHBondContact O-N 2.82Å; E796-F800 WeakPolarHBondContact O-CB 3.43Å; E796-F800 PolarHBondContact O-N 3.4Å
797	L	59	Low	56	Low	29 Å²	29	80.6 Å²	80.6	15%	0.152	40%	0.404	C	S	.	.	H	α-helix	trans	-63.3	-43.4	171.5	177.9	75.7	0	0	0	112	C726 I730 K793 H794 F800 L801	C726-L797 HydrophobicContact CB-CD1 3.61Å; I730-L797 HydrophobicContact CD1-CB 3.64Å; I730-L797 HydrophobicContact CD1-CD2 3.59Å; I730-L797 HydrophobicContact CD1-CG 4.13Å; K793-L797 PolarHBondContact O-N 2.89Å; K793-L797 VanDerWaalsContact O-N 3.09Å; H794-L797 PolarHBondContact O-N 2.6Å; L797-F800 PolarHBondContact O-N 2.76Å; L797-L801 HydrophobicContact CD1-CD1 4.32Å; L797-L801 HydrophobicContact CD2-CD1 4.43Å; L797-L801 HydrophobicContact CG-CD1 3.98Å; L797-L801 WeakPolarHBondContact O-CB 3.49Å; L797-L801 WeakPolarHBondContact O-CG 3.17Å; L797-L801 PolarHBondContact O-N 2.91Å
798	K	52.3	Low	54.3	Low	101 Å²	101	84.7 Å²	84.7	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175.9	-81.9	166.9	160.2	-179.7	0	112.2	H794 E795 L801 S802	H794-K798 VanDerWaalsContact CE1-CE 3.41Å; H794-K798 WeakPolarHBondContact CE1-CE 3.25Å; H794-K798 PolarHBondContact O-N 3.26Å; E795-K798 VanDerWaalsContact CD-CD 3.45Å; E795-K798 VanDerWaalsContact CD-NZ 3.26Å; E795-K798 PolarHBondContact O-N 2.78Å; E795-K798 VanDerWaalsContact OE1-CD 3.31Å; E795-K798 WeakPolarHBondContact OE1-CD 3.3Å; E795-K798 WeakPolarHBondContact OE1-CE 3.4Å; E795-K798 IonicContact OE1-NZ 3.96Å; E795-K798 PolarHBondContact OE1-NZ 2.99Å; E795-K798 WeakPolarHBondContact OE2-CD 3.42Å; E795-K798 IonicContact OE2-NZ 2.63Å; E795-K798 PolarHBondContact OE2-NZ 2.89Å; K798-L801 PolarHBondContact O-N 3.26Å; K798-S802 WeakPolarHBondContact O-CB 3.17Å; K798-S802 PolarHBondContact O-N 3.04Å; K798-S802 PolarHBondContact O-OG 3.36Å
799	Q	55.3	Low	52.5	Low	123 Å²	123	80.7 Å²	80.7	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-62	-45.1	174	-74.5	-172.8	12.9	0	0	110.5	E795 E796 L801 S802 I803	E795-Q799 WeakPolarHBondContact O-CB 3.36Å; E795-Q799 WeakPolarHBondContact O-CG 3.49Å; E795-Q799 PolarHBondContact O-N 2.85Å; E796-Q799 PolarHBondContact O-N 2.82Å; Q799-L801 VanDerWaalsContact C-N 3.29Å; Q799-L801 PolarHBondContact O-N 3.1Å; Q799-S802 WeakPolarHBondContact CA-OG 3.12Å; Q799-S802 PolarHBondContact O-N 3.09Å; Q799-S802 VanDerWaalsContact O-N 3.1Å; Q799-S802 PolarHBondContact O-OG 3.29Å; Q799-S802 VanDerWaalsContact O-OG 3.04Å; Q799-I803 HydrophobicContact CB-CD1 4.41Å; Q799-I803 WeakPolarHBondContact O-CB 3.31Å; Q799-I803 WeakPolarHBondContact O-CD1 3.36Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 3.45Å
800	F	50.9	Low	50.6	Low	62 Å²	62	79.4 Å²	79.4	27%	0.272	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-38.3	176.5	-163.3	-101.7	0	0	0	112.7	Q722 E796 L797 W804	Q722-F800 HydrophobicContact CB-CE1 4.12Å; Q722-F800 HydrophobicContact CB-CZ 3.63Å; Q722-F800 HydrophobicContact CG-CZ 4.38Å; E796-F800 WeakPolarHBondContact O-CB 3.43Å; E796-F800 PolarHBondContact O-N 3.4Å; L797-F800 PolarHBondContact O-N 2.76Å; F800-W804 HydrophobicContact CD1-CE3 4.3Å; F800-W804 AromaticContact CD1-CZ3 3.85Å; F800-W804 HydrophobicContact CD1-CZ3 3.85Å; F800-W804 HydrophobicContact CE1-CE3 4.17Å; F800-W804 AromaticContact CE1-CH2 3.83Å; F800-W804 HydrophobicContact CE1-CH2 3.83Å; F800-W804 AromaticContact CE1-CZ3 3.45Å; F800-W804 HydrophobicContact CE1-CZ3 3.45Å; F800-W804 VanDerWaalsContact CE1-CZ3 3.45Å; F800-W804 HydrophobicContact CZ-CH2 4.48Å; F800-W804 HydrophobicContact CZ-CZ3 4.37Å
801	L	45	Very low	49.1	Very low	91 Å²	91	83.9 Å²	83.9	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-74.9	-26.1	174.7	-70.6	169.8	0	0	0	113.8	L723 L797 K798 Q799	L723-L801 HydrophobicContact CD1-CD2 4.41Å; L797-L801 HydrophobicContact CD1-CD1 4.32Å; L797-L801 HydrophobicContact CD2-CD1 4.43Å; L797-L801 HydrophobicContact CG-CD1 3.98Å; L797-L801 WeakPolarHBondContact O-CB 3.49Å; L797-L801 WeakPolarHBondContact O-CG 3.17Å; L797-L801 PolarHBondContact O-N 2.91Å; K798-L801 PolarHBondContact O-N 3.26Å; Q799-L801 VanDerWaalsContact C-N 3.29Å; Q799-L801 PolarHBondContact O-N 3.1Å
802	S	44	Very low	47.6	Very low	91 Å²	91	82.5 Å²	82.5	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-86	-26.7	177.6	74.6	0	0	0	0	113.4	K798 Q799 W804	K798-S802 WeakPolarHBondContact O-CB 3.17Å; K798-S802 PolarHBondContact O-N 3.04Å; K798-S802 PolarHBondContact O-OG 3.36Å; Q799-S802 WeakPolarHBondContact CA-OG 3.12Å; Q799-S802 PolarHBondContact O-N 3.09Å; Q799-S802 VanDerWaalsContact O-N 3.1Å; Q799-S802 PolarHBondContact O-OG 3.29Å; Q799-S802 VanDerWaalsContact O-OG 3.04Å; S802-W804 PolarHBondContact O-N 2.77Å
803	I	43.4	Very low	46	Very low	120 Å²	120	79.3 Å²	79.3	62%	0.615	39%	0.394	S	S	*	.	S	Bend	trans	-69.2	-17.3	176.9	-73.9	164.1	0	0	0	112	Q799 P805	Q799-I803 HydrophobicContact CB-CD1 4.41Å; Q799-I803 WeakPolarHBondContact O-CB 3.31Å; Q799-I803 WeakPolarHBondContact O-CD1 3.36Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 3.45Å; I803-P805 WeakPolarHBondContact O-CD 3.31Å
804	W	37	Very low	44.6	Very low	66 Å²	66	81.2 Å²	81.2	25%	0.25	41%	0.407	C	S	.	.			trans	-80.1	102.2	178.1	-113.1	-45.7	0	0	0	112.3	Y719 L723 F800 S802 I810	Y719-W804 HydrophobicContact CD1-CH2 4.37Å; Y719-W804 AromaticContact CD1-CZ2 3.51Å; Y719-W804 HydrophobicContact CD1-CZ2 3.51Å; Y719-W804 HydrophobicContact CE1-CZ2 4.27Å; Y719-W804 AromaticContact CG-CZ2 4Å; Y719-W804 HydrophobicContact CG-CZ2 4Å; L723-W804 HydrophobicContact CD1-CZ3 4.34Å; F800-W804 HydrophobicContact CD1-CE3 4.3Å; F800-W804 AromaticContact CD1-CZ3 3.85Å; F800-W804 HydrophobicContact CD1-CZ3 3.85Å; F800-W804 HydrophobicContact CE1-CE3 4.17Å; F800-W804 AromaticContact CE1-CH2 3.83Å; F800-W804 HydrophobicContact CE1-CH2 3.83Å; F800-W804 AromaticContact CE1-CZ3 3.45Å; F800-W804 HydrophobicContact CE1-CZ3 3.45Å; F800-W804 VanDerWaalsContact CE1-CZ3 3.45Å; F800-W804 HydrophobicContact CZ-CH2 4.48Å; F800-W804 HydrophobicContact CZ-CZ3 4.37Å; S802-W804 PolarHBondContact O-N 2.77Å; W804-I810 HydrophobicContact CG-CD1 4.1Å
805	P	27.5	Very low	43.5	Very low	100 Å²	100	80.3 Å²	80.3	65%	0.649	40%	0.403	S	S	*	.			trans	-81.2	153.5	-178	-4.8	26.9	0	0	0	109.7	I803	I803-P805 WeakPolarHBondContact O-CD 3.31Å
806	N	32.8	Very low	42.4	Very low	97 Å²	97	77.6 Å²	77.6	52%	0.519	39%	0.393	S	S	.	.			trans	56.4	68.7	-178.1	-62.6	-30.5	0	0	0	113.4	K808 I809 I810	N806-K808 CarbonylContact O-C 3.52Å; N806-K808 PolarHBondContact O-N 3.46Å; N806-I809 HydrophobicContact CB-CB 3.68Å; N806-I809 HydrophobicContact CB-CD1 3.86Å; N806-I809 HydrophobicContact CB-CG1 3.81Å; N806-I809 WeakPolarHBondContact O-CA 3.39Å; N806-I809 WeakPolarHBondContact O-CB 2.99Å; N806-I809 PolarHBondContact O-N 3.44Å; N806-I810 PolarHBondContact O-N 3.44Å
807	Q	37.5	Very low	41.2	Very low	165 Å²	165	75 Å²	75	77%	0.771	38%	0.382	S	S	*	.	H	α-helix	trans	-45.7	-34.5	159.1	-69.6	-175.4	-6.6	0	0	112.4	K811	Q807-K811 WeakPolarHBondContact O-CB 3.39Å; Q807-K811 PolarHBondContact O-N 2.8Å
808	K	34	Very low	40.1	Very low	112 Å²	112	77.3 Å²	77.3	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-51.2	-64.5	167.9	-79	156.1	136.6	-162.9	0	110.1	F571 V572 N806 I810 K811 P812	F571-K808 VanDerWaalsContact CB-C 3.5Å; F571-K808 WeakPolarHBondContact CB-O 3.38Å; F571-K808 VanDerWaalsContact CD2-O 3.26Å; F571-K808 WeakPolarHBondContact CD2-O 3.37Å; V572-K808 HydrophobicContact CB-CB 3.81Å; V572-K808 HydrophobicContact CB-CG 4.31Å; V572-K808 HydrophobicContact CG1-CB 3.5Å; V572-K808 HydrophobicContact CG1-CD 3.44Å; V572-K808 VanDerWaalsContact CG1-CD 3.44Å; V572-K808 HydrophobicContact CG1-CG 3.74Å; V572-K808 HydrophobicContact CG2-CB 4.05Å; V572-K808 HydrophobicContact CG2-CG 4.2Å; N806-K808 CarbonylContact O-C 3.52Å; N806-K808 PolarHBondContact O-N 3.46Å; K808-I810 VanDerWaalsContact C-N 3.33Å; K808-I810 PolarHBondContact O-N 3.22Å; K808-K811 PolarHBondContact O-N 2.88Å; K808-P812 WeakPolarHBondContact O-CD 3.43Å
809	I	36.5	Very low	39.5	Very low	48 Å²	48	74 Å²	74	25%	0.246	38%	0.38	C	S	.	.	H	α-helix	trans	-44.9	-52.3	178	-83.3	178.9	0	0	0	112.8	S570 F571 N806 P812 T813	S570-I809 WeakPolarHBondContact CA-O 3.17Å; S570-I809 WeakPolarHBondContact OG-CG2 3.3Å; F571-I809 PolarHBondContact N-O 3.47Å; F571-I809 WeakPolarHBondContact O-CG1 3.37Å; N806-I809 HydrophobicContact CB-CB 3.68Å; N806-I809 HydrophobicContact CB-CD1 3.86Å; N806-I809 HydrophobicContact CB-CG1 3.81Å; N806-I809 WeakPolarHBondContact O-CA 3.39Å; N806-I809 WeakPolarHBondContact O-CB 2.99Å; N806-I809 PolarHBondContact O-N 3.44Å; I809-P812 WeakPolarHBondContact O-CD 3.49Å; I809-T813 PolarHBondContact O-OG1 3.22Å; I809-T813 VanDerWaalsContact O-OG1 3.08Å
810	I	34.7	Very low	38.6	Very low	53 Å²	53	73 Å²	73	27%	0.272	37%	0.371	S	S	.	.	H	α-helix	trans	-86.4	-24.7	-168.3	-54.6	-172.5	0	0	0	114	W804 N806 K808 T813 L814	W804-I810 HydrophobicContact CG-CD1 4.1Å; N806-I810 PolarHBondContact O-N 3.44Å; K808-I810 VanDerWaalsContact C-N 3.33Å; K808-I810 PolarHBondContact O-N 3.22Å; I810-T813 CarbonylContact O-C 3.53Å; I810-T813 WeakPolarHBondContact O-CA 3.41Å; I810-T813 WeakPolarHBondContact O-CB 3.09Å; I810-T813 PolarHBondContact O-N 3.39Å; I810-T813 PolarHBondContact O-OG1 3.03Å; I810-L814 PolarHBondContact O-N 2.81Å
811	K	38.3	Very low	37.8	Very low	103 Å²	103	76 Å²	76	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-42.3	-177.6	-160.6	171.1	-172.6	-176.3	0	114.5	Q807 K808 T813 L815	Q807-K811 WeakPolarHBondContact O-CB 3.39Å; Q807-K811 PolarHBondContact O-N 2.8Å; K808-K811 PolarHBondContact O-N 2.88Å; K811-T813 VanDerWaalsContact C-N 3.26Å; K811-T813 PolarHBondContact O-N 3.24Å; K811-L815 WeakPolarHBondContact O-CB 3.37Å; K811-L815 WeakPolarHBondContact O-CD1 3.11Å; K811-L815 PolarHBondContact O-N 2.72Å
812	P	38.8	Very low	37.4	Very low	25 Å²	25	73.6 Å²	73.6	16%	0.162	38%	0.378	C	S	.	.	H	α-helix	trans	-74.9	-14.3	171.1	34.7	-38.7	0	0	0	112.9	A569 F571 K808 I809 S816	A569-P812 HydrophobicContact CB-CB 4.28Å; A569-P812 HydrophobicContact CB-CG 4.05Å; F571-P812 HydrophobicContact CB-CG 3.57Å; F571-P812 HydrophobicContact CD1-CG 4.2Å; F571-P812 HydrophobicContact CD2-CB 4.33Å; F571-P812 VanDerWaalsContact CD2-CD 3.49Å; F571-P812 HydrophobicContact CD2-CG 3.57Å; F571-P812 HydrophobicContact CE2-CB 4.49Å; F571-P812 HydrophobicContact CE2-CG 4.19Å; F571-P812 HydrophobicContact CG-CB 4.46Å; F571-P812 HydrophobicContact CG-CG 3.54Å; K808-P812 WeakPolarHBondContact O-CD 3.43Å; I809-P812 WeakPolarHBondContact O-CD 3.49Å; P812-S816 WeakPolarHBondContact O-CB 2.95Å; P812-S816 PolarHBondContact O-N 2.82Å
813	T	37.7	Very low	37.1	Very low	19 Å²	19	72.9 Å²	72.9	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-76.8	-49.9	172.8	-40.7	0	0	0	0	110.2	S568 A569 I809 I810 K811 L815 S816 I817	S568-T813 WeakPolarHBondContact O-CG2 3.14Å; A569-T813 WeakPolarHBondContact CB-OG1 3.33Å; A569-T813 PolarHBondContact O-OG1 2.8Å; I809-T813 PolarHBondContact O-OG1 3.22Å; I809-T813 VanDerWaalsContact O-OG1 3.08Å; I810-T813 CarbonylContact O-C 3.53Å; I810-T813 WeakPolarHBondContact O-CA 3.41Å; I810-T813 WeakPolarHBondContact O-CB 3.09Å; I810-T813 PolarHBondContact O-N 3.39Å; I810-T813 PolarHBondContact O-OG1 3.03Å; K811-T813 VanDerWaalsContact C-N 3.26Å; K811-T813 PolarHBondContact O-N 3.24Å; T813-L815 VanDerWaalsContact C-N 3.28Å; T813-L815 PolarHBondContact O-N 2.89Å; T813-S816 CarbonylContact O-C 3.45Å; T813-S816 PolarHBondContact O-N 3.49Å; T813-S816 VanDerWaalsContact O-N 3.13Å; T813-I817 HydrophobicContact CG2-CD1 3.94Å; T813-I817 WeakPolarHBondContact O-CB 3.23Å; T813-I817 WeakPolarHBondContact O-CD1 3.39Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.37Å
814	L	38.1	Very low	36.7	Very low	98 Å²	98	73.2 Å²	73.2	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-34.5	174.8	-155.6	75.4	0	0	0	110.8	I810 L818	I810-L814 PolarHBondContact O-N 2.81Å; L814-L818 HydrophobicContact CG-CD1 4.19Å; L814-L818 VanDerWaalsContact O-CB 3.27Å; L814-L818 WeakPolarHBondContact O-CB 3.23Å; L814-L818 WeakPolarHBondContact O-CD1 3.13Å; L814-L818 WeakPolarHBondContact O-CG 3.46Å; L814-L818 PolarHBondContact O-N 3.11Å
815	L	42.5	Very low	36.5	Very low	12 Å²	12	73.2 Å²	73.2	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-57.7	-65.8	160.9	-105.1	80.7	0	0	0	110.3	K811 T813 I817 L818 Q819 W834 Q838	K811-L815 WeakPolarHBondContact O-CB 3.37Å; K811-L815 WeakPolarHBondContact O-CD1 3.11Å; K811-L815 PolarHBondContact O-N 2.72Å; T813-L815 VanDerWaalsContact C-N 3.28Å; T813-L815 PolarHBondContact O-N 2.89Å; L815-I817 CarbonylContact O-C 3.54Å; L815-I817 PolarHBondContact O-N 3.34Å; L815-L818 CarbonylContact O-C 3.55Å; L815-L818 PolarHBondContact O-N 2.86Å; L815-Q819 WeakPolarHBondContact O-CA 3.42Å; L815-Q819 WeakPolarHBondContact O-CB 3.45Å; L815-Q819 PolarHBondContact O-N 3.47Å; L815-W834 HydrophobicContact CD1-CE3 3.86Å; L815-W834 HydrophobicContact CD1-CH2 3.69Å; L815-W834 HydrophobicContact CD1-CZ3 3.3Å; L815-W834 HydrophobicContact CD2-CD2 4.26Å; L815-W834 HydrophobicContact CD2-CE3 3.74Å; L815-W834 HydrophobicContact CD2-CZ3 4.11Å; L815-W834 HydrophobicContact CG-CD2 4.06Å; L815-W834 HydrophobicContact CG-CE3 3.59Å; L815-W834 HydrophobicContact CG-CH2 3.9Å; L815-W834 HydrophobicContact CG-CZ2 4.3Å; L815-W834 HydrophobicContact CG-CZ3 3.54Å; L815-Q838 HydrophobicContact CD1-CG 3.88Å; L815-Q838 HydrophobicContact CD2-CB 4.26Å; L815-Q838 VanDerWaalsContact CD2-CD 3.41Å; L815-Q838 HydrophobicContact CD2-CG 4.04Å
816	S	42	Very low	36.6	Very low	26 Å²	26	71.2 Å²	71.2	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-50.8	-26.4	-176.3	176.5	0	0	0	0	114	S568 P812 T813 R820	S568-S816 WeakPolarHBondContact CB-OG 3.05Å; S568-S816 PolarHBondContact OG-OG 2.81Å; P812-S816 WeakPolarHBondContact O-CB 2.95Å; P812-S816 PolarHBondContact O-N 2.82Å; T813-S816 CarbonylContact O-C 3.45Å; T813-S816 PolarHBondContact O-N 3.49Å; T813-S816 VanDerWaalsContact O-N 3.13Å; S816-R820 WeakPolarHBondContact O-CB 3.06Å; S816-R820 WeakPolarHBondContact O-CG 3.48Å; S816-R820 PolarHBondContact O-N 3.12Å
817	I	37.6	Very low	36.8	Very low	35 Å²	35	68.6 Å²	68.6	18%	0.179	36%	0.363	C	S	.	.	H	α-helix	trans	-81.5	-50.9	173.3	-63.5	161.5	0	0	0	112	I716 T813 L815 Q819 R820 L821	I716-I817 HydrophobicContact CB-CD1 4.33Å; I716-I817 HydrophobicContact CB-CG1 4.37Å; I716-I817 HydrophobicContact CD1-CG1 4.13Å; I716-I817 HydrophobicContact CG1-CD1 4.04Å; I716-I817 HydrophobicContact CG1-CG1 3.94Å; I716-I817 HydrophobicContact CG2-CB 4.41Å; I716-I817 HydrophobicContact CG2-CD1 3.78Å; I716-I817 HydrophobicContact CG2-CG1 3.63Å; I716-I817 HydrophobicContact CG2-CG2 3.88Å; T813-I817 HydrophobicContact CG2-CD1 3.94Å; T813-I817 WeakPolarHBondContact O-CB 3.23Å; T813-I817 WeakPolarHBondContact O-CD1 3.39Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.37Å; L815-I817 CarbonylContact O-C 3.54Å; L815-I817 PolarHBondContact O-N 3.34Å; I817-Q819 PolarHBondContact O-N 2.89Å; I817-R820 PolarHBondContact O-N 3.32Å; I817-L821 HydrophobicContact CG2-CD1 4.18Å; I817-L821 WeakPolarHBondContact O-CB 3.36Å; I817-L821 VanDerWaalsContact O-CG 3.23Å; I817-L821 WeakPolarHBondContact O-CG 3.42Å; I817-L821 PolarHBondContact O-N 2.67Å
818	L	37.1	Very low	36.8	Very low	76 Å²	76	64.7 Å²	64.7	40%	0.398	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-33.3	175.2	-70.8	167.1	0	0	0	112.3	L814 L815 T822 W834	L814-L818 HydrophobicContact CG-CD1 4.19Å; L814-L818 VanDerWaalsContact O-CB 3.27Å; L814-L818 WeakPolarHBondContact O-CB 3.23Å; L814-L818 WeakPolarHBondContact O-CD1 3.13Å; L814-L818 WeakPolarHBondContact O-CG 3.46Å; L814-L818 PolarHBondContact O-N 3.11Å; L815-L818 CarbonylContact O-C 3.55Å; L815-L818 PolarHBondContact O-N 2.86Å; L818-T822 PolarHBondContact O-N 3.32Å; L818-T822 PolarHBondContact O-OG1 2.93Å; L818-W834 HydrophobicContact CB-CZ2 3.8Å; L818-W834 HydrophobicContact CD1-CH2 4.18Å; L818-W834 HydrophobicContact CD1-CZ2 3.89Å; L818-W834 HydrophobicContact CG-CZ2 4.49Å
819	Q	39.3	Very low	37	Very low	33 Å²	33	60.8 Å²	60.8	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-69.8	-48.5	173.6	-165.5	168.8	15.3	0	0	109.1	L815 I817 L821 T822 E823 N831	L815-Q819 WeakPolarHBondContact O-CA 3.42Å; L815-Q819 WeakPolarHBondContact O-CB 3.45Å; L815-Q819 PolarHBondContact O-N 3.47Å; I817-Q819 PolarHBondContact O-N 2.89Å; Q819-L821 VanDerWaalsContact C-N 3.31Å; Q819-L821 PolarHBondContact O-N 3.07Å; Q819-T822 WeakPolarHBondContact CA-OG1 3.05Å; Q819-T822 CarbonylContact O-C 3.49Å; Q819-T822 VanDerWaalsContact O-C 3.24Å; Q819-T822 VanDerWaalsContact O-CA 3.28Å; Q819-T822 WeakPolarHBondContact O-CA 3.35Å; Q819-T822 PolarHBondContact O-N 2.66Å; Q819-T822 PolarHBondContact O-OG1 3.09Å; Q819-E823 HydrophobicContact CG-CG 4.23Å; Q819-E823 VanDerWaalsContact O-CG 3.31Å; Q819-E823 WeakPolarHBondContact O-CG 3.34Å; Q819-E823 PolarHBondContact O-N 2.83Å; Q819-N831 VanDerWaalsContact CG-OD1 3.24Å; Q819-N831 WeakPolarHBondContact CG-OD1 3.35Å; Q819-N831 PolarHBondContact NE2-OD1 3.04Å
820	R	35.5	Very low	37	Very low	101 Å²	101	62.6 Å²	62.6	38%	0.381	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-33.9	170.8	-85.9	179.4	156.6	-162.6	-10.9	114.3	T567 S816 I817 T822 E823	T567-R820 PolarHBondContact OG1-NH1 2.81Å; S816-R820 WeakPolarHBondContact O-CB 3.06Å; S816-R820 WeakPolarHBondContact O-CG 3.48Å; S816-R820 PolarHBondContact O-N 3.12Å; I817-R820 PolarHBondContact O-N 3.32Å; R820-T822 PolarHBondContact O-N 3.28Å; R820-E823 WeakPolarHBondContact CG-OE2 3.43Å; R820-E823 PolarHBondContact O-N 3.36Å
821	L	33.6	Very low	37.4	Very low	126 Å²	126	62.2 Å²	62.2	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-11.7	170.2	-70.8	165.7	0	0	0	112.7	I817 Q819	I817-L821 HydrophobicContact CG2-CD1 4.18Å; I817-L821 WeakPolarHBondContact O-CB 3.36Å; I817-L821 VanDerWaalsContact O-CG 3.23Å; I817-L821 WeakPolarHBondContact O-CG 3.42Å; I817-L821 PolarHBondContact O-N 2.67Å; Q819-L821 VanDerWaalsContact C-N 3.31Å; Q819-L821 PolarHBondContact O-N 3.07Å
822	T	37.9	Very low	37.4	Very low	40 Å²	40	64 Å²	64	25%	0.245	35%	0.351	C	S	.	.	H	α-helix	trans	-115	-12.5	170	54.2	0	0	0	0	115.1	L818 Q819 R820 N824 S825	L818-T822 PolarHBondContact O-N 3.32Å; L818-T822 PolarHBondContact O-OG1 2.93Å; Q819-T822 WeakPolarHBondContact CA-OG1 3.05Å; Q819-T822 CarbonylContact O-C 3.49Å; Q819-T822 VanDerWaalsContact O-C 3.24Å; Q819-T822 VanDerWaalsContact O-CA 3.28Å; Q819-T822 WeakPolarHBondContact O-CA 3.35Å; Q819-T822 PolarHBondContact O-N 2.66Å; Q819-T822 PolarHBondContact O-OG1 3.09Å; R820-T822 PolarHBondContact O-N 3.28Å; T822-N824 VanDerWaalsContact C-N 3.33Å; T822-S825 CarbonylContact O-C 3.57Å; T822-S825 VanDerWaalsContact O-C 3.22Å; T822-S825 WeakPolarHBondContact O-CA 3.49Å; T822-S825 PolarHBondContact O-N 2.93Å; T822-S825 PolarHBondContact O-OG 3.16Å
823	E	36.4	Very low	37.3	Very low	76 Å²	76	63.1 Å²	63.1	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-78.6	-18.5	179.6	-76.7	172.4	155.3	0	0	112.2	Q819 R820 S825 G826 N831	Q819-E823 HydrophobicContact CG-CG 4.23Å; Q819-E823 VanDerWaalsContact O-CG 3.31Å; Q819-E823 WeakPolarHBondContact O-CG 3.34Å; Q819-E823 PolarHBondContact O-N 2.83Å; R820-E823 WeakPolarHBondContact CG-OE2 3.43Å; R820-E823 PolarHBondContact O-N 3.36Å; E823-S825 PolarHBondContact O-N 2.76Å; E823-S825 VanDerWaalsContact O-N 3.16Å; E823-G826 WeakPolarHBondContact O-CA 3.25Å; E823-G826 PolarHBondContact O-N 2.94Å; E823-N831 PolarHBondContact OE1-ND2 2.78Å
824	N	35.1	Very low	37.5	Very low	127 Å²	127	65.1 Å²	65.1	68%	0.679	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-2.7	161.1	-78.3	27.6	0	0	0	112.7	T822	T822-N824 VanDerWaalsContact C-N 3.33Å
825	S	34.6	Very low	37.5	Very low	65 Å²	65	63.5 Å²	63.5	46%	0.455	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	51.3	159.9	49.4	0	0	0	0	110.1	T822 E823 T827	T822-S825 CarbonylContact O-C 3.57Å; T822-S825 VanDerWaalsContact O-C 3.22Å; T822-S825 WeakPolarHBondContact O-CA 3.49Å; T822-S825 PolarHBondContact O-N 2.93Å; T822-S825 PolarHBondContact O-OG 3.16Å; E823-S825 PolarHBondContact O-N 2.76Å; E823-S825 VanDerWaalsContact O-N 3.16Å; S825-T827 PolarHBondContact O-N 3.12Å
826	G	28.5	Very low	37.3	Very low	59 Å²	59	65.5 Å²	65.5	61%	0.608	36%	0.357	S	S	*	.			trans	-68.9	116.8	-169.5	0	0	0	0	0	115.2	E823	E823-G826 WeakPolarHBondContact O-CA 3.25Å; E823-G826 PolarHBondContact O-N 2.94Å
827	T	37.2	Very low	36.9	Very low	41 Å²	41	67.8 Å²	67.8	25%	0.252	37%	0.367	S	S	.	.			trans	-129.5	153.3	156.1	80.9	0	0	0	0	108.1	S825 D829 E1029	S825-T827 PolarHBondContact O-N 3.12Å; T827-D829 PolarHBondContact O-N 2.72Å; T827-D829 VanDerWaalsContact O-N 3.15Å; T827-E1029 VanDerWaalsContact CG2-CD 3.42Å; T827-E1029 HydrophobicContact CG2-CG 4.12Å; T827-E1029 VanDerWaalsContact CG2-OE2 3.31Å; T827-E1029 WeakPolarHBondContact CG2-OE2 3.36Å
828	S	38.6	Very low	36.8	Very low	83 Å²	83	68.5 Å²	68.5	58%	0.58	37%	0.369	S	S	*	.	H	α-helix	trans	-58.1	-28.7	179.9	40.6	0	0	0	0	113.2	N831 Y832	S828-N831 PolarHBondContact O-N 3.46Å; S828-Y832 PolarHBondContact O-N 3.36Å; S828-Y832 VanDerWaalsContact O-N 3.15Å
829	D	36.4	Very low	36.9	Very low	30 Å²	30	73.1 Å²	73.1	16%	0.16	39%	0.386	C	S	.	.	H	α-helix	trans	-86.1	-28.5	-161.8	-59.7	3.5	0	0	0	110.5	T827 Y832 A833 I904 K1095	T827-D829 PolarHBondContact O-N 2.72Å; T827-D829 VanDerWaalsContact O-N 3.15Å; D829-Y832 PolarHBondContact O-N 2.82Å; D829-A833 PolarHBondContact O-N 3.35Å; D829-I904 HydrophobicContact CB-CD1 3.95Å; D829-I904 HydrophobicContact CB-CG1 3.8Å; D829-K1095 IonicContact OD2-NZ 2.72Å; D829-K1095 PolarHBondContact OD2-NZ 3Å
830	M	37.7	Very low	36.7	Very low	86 Å²	86	75.9 Å²	75.9	42%	0.424	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-40.2	166	-110.3	-159.8	176.9	0	0	111.9	Y832 A833 W834	M830-Y832 VanDerWaalsContact C-N 3.31Å; M830-Y832 PolarHBondContact O-N 3.38Å; M830-A833 PolarHBondContact O-N 3.48Å; M830-W834 PolarHBondContact O-N 3.13Å
831	N	42	Very low	36.4	Very low	46 Å²	46	78.7 Å²	78.7	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-34.3	176.3	-84.2	-7.1	0	0	0	111.5	Q819 E823 S828 C835	Q819-N831 VanDerWaalsContact CG-OD1 3.24Å; Q819-N831 WeakPolarHBondContact CG-OD1 3.35Å; Q819-N831 PolarHBondContact NE2-OD1 3.04Å; E823-N831 PolarHBondContact OE1-ND2 2.78Å; S828-N831 PolarHBondContact O-N 3.46Å; N831-C835 PolarHBondContact O-N 3.03Å; N831-C835 VanDerWaalsContact O-N 3.09Å; N831-C835 PolarHBondContact O-SG 3.13Å
832	Y	39.7	Very low	36.2	Very low	141 Å²	141	80.3 Å²	80.3	55%	0.553	43%	0.425	S	S	*	.	H	α-helix	trans	-67.8	-43.8	172	-166.7	-95.9	0	0	0	112.7	S828 D829 M830 W834 C835 I836 I904	S828-Y832 PolarHBondContact O-N 3.36Å; S828-Y832 VanDerWaalsContact O-N 3.15Å; D829-Y832 PolarHBondContact O-N 2.82Å; M830-Y832 VanDerWaalsContact C-N 3.31Å; M830-Y832 PolarHBondContact O-N 3.38Å; Y832-W834 VanDerWaalsContact C-N 3.32Å; Y832-W834 PolarHBondContact O-N 3.24Å; Y832-C835 WeakPolarHBondContact O-CB 3.24Å; Y832-C835 PolarHBondContact O-N 2.69Å; Y832-C835 VanDerWaalsContact O-N 3.15Å; Y832-I836 HydrophobicContact CD1-CD1 3.86Å; Y832-I836 HydrophobicContact CE1-CD1 3.71Å; Y832-I836 HydrophobicContact CE1-CG1 4.44Å; Y832-I836 PolarHBondContact O-N 2.95Å; Y832-I836 VanDerWaalsContact O-N 3.14Å; Y832-I904 HydrophobicContact CD1-CD1 3.7Å; Y832-I904 HydrophobicContact CD1-CG2 4.1Å; Y832-I904 HydrophobicContact CE1-CD1 4.39Å; Y832-I904 HydrophobicContact CG-CD1 4.19Å
833	A	36.1	Very low	35.7	Very low	6 Å²	6	82.9 Å²	82.9	5%	0.05	44%	0.441	C	S	.	.	H	α-helix	trans	-61.7	-37.1	175.3	0	0	0	0	0	112.7	D829 M830 I836 L837 I908	D829-A833 PolarHBondContact O-N 3.35Å; M830-A833 PolarHBondContact O-N 3.48Å; A833-I836 PolarHBondContact O-N 2.78Å; A833-L837 PolarHBondContact O-N 2.65Å; A833-L837 VanDerWaalsContact O-N 3.1Å; A833-I908 HydrophobicContact CB-CG1 4.49Å
834	W	41.8	Very low	35.3	Very low	61 Å²	61	87.6 Å²	87.6	23%	0.231	47%	0.467	C	S	.	.	H	α-helix	trans	-63.2	-45.2	171.4	-125.4	125.5	0	0	0	111.4	L815 L818 M830 Y832 I836 L837 Q838	L815-W834 HydrophobicContact CD1-CE3 3.86Å; L815-W834 HydrophobicContact CD1-CH2 3.69Å; L815-W834 HydrophobicContact CD1-CZ3 3.3Å; L815-W834 HydrophobicContact CD2-CD2 4.26Å; L815-W834 HydrophobicContact CD2-CE3 3.74Å; L815-W834 HydrophobicContact CD2-CZ3 4.11Å; L815-W834 HydrophobicContact CG-CD2 4.06Å; L815-W834 HydrophobicContact CG-CE3 3.59Å; L815-W834 HydrophobicContact CG-CH2 3.9Å; L815-W834 HydrophobicContact CG-CZ2 4.3Å; L815-W834 HydrophobicContact CG-CZ3 3.54Å; L818-W834 HydrophobicContact CB-CZ2 3.8Å; L818-W834 HydrophobicContact CD1-CH2 4.18Å; L818-W834 HydrophobicContact CD1-CZ2 3.89Å; L818-W834 HydrophobicContact CG-CZ2 4.49Å; M830-W834 PolarHBondContact O-N 3.13Å; Y832-W834 VanDerWaalsContact C-N 3.32Å; Y832-W834 PolarHBondContact O-N 3.24Å; W834-I836 PolarHBondContact O-N 2.92Å; W834-L837 HydrophobicContact CE3-CB 4.37Å; W834-L837 PolarHBondContact O-N 3.13Å; W834-L837 VanDerWaalsContact O-N 3.11Å; W834-Q838 PolarHBondContact O-N 3.23Å
835	C	39.1	Very low	35	Very low	64 Å²	64	86.5 Å²	86.5	43%	0.432	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-31.2	177.9	-73.8	0	0	0	0	113.7	N831 Y832	N831-C835 PolarHBondContact O-N 3.03Å; N831-C835 VanDerWaalsContact O-N 3.09Å; N831-C835 PolarHBondContact O-SG 3.13Å; Y832-C835 WeakPolarHBondContact O-CB 3.24Å; Y832-C835 PolarHBondContact O-N 2.69Å; Y832-C835 VanDerWaalsContact O-N 3.15Å
836	I	36.9	Very low	35	Very low	53 Å²	53	88 Å²	88	27%	0.272	47%	0.469	S	S	.	.	H	α-helix	trans	-70	-53.2	171.1	-66.1	167.2	0	0	0	110	Y832 A833 W834 Q838 K839 I908	Y832-I836 HydrophobicContact CD1-CD1 3.86Å; Y832-I836 HydrophobicContact CE1-CD1 3.71Å; Y832-I836 HydrophobicContact CE1-CG1 4.44Å; Y832-I836 PolarHBondContact O-N 2.95Å; Y832-I836 VanDerWaalsContact O-N 3.14Å; A833-I836 PolarHBondContact O-N 2.78Å; W834-I836 PolarHBondContact O-N 2.92Å; I836-Q838 PolarHBondContact O-N 2.92Å; I836-K839 PolarHBondContact O-N 2.86Å; I836-I908 HydrophobicContact CD1-CD1 3.91Å
837	L	33.8	Very low	35	Very low	74 Å²	74	92.1 Å²	92.1	39%	0.387	47%	0.47	S	S	.	.	H	α-helix	trans	-55.4	-26.4	178.1	-78.2	165.2	0	0	0	113.8	A833 W834 F841 I911	A833-L837 PolarHBondContact O-N 2.65Å; A833-L837 VanDerWaalsContact O-N 3.1Å; W834-L837 HydrophobicContact CE3-CB 4.37Å; W834-L837 PolarHBondContact O-N 3.13Å; W834-L837 VanDerWaalsContact O-N 3.11Å; L837-F841 VanDerWaalsContact O-CD2 3.22Å; L837-F841 WeakPolarHBondContact O-CD2 3.36Å; L837-F841 VanDerWaalsContact O-CE2 3.31Å; L837-F841 WeakPolarHBondContact O-CE2 3.07Å; L837-I911 HydrophobicContact CD1-CG2 4.48Å
838	Q	36.8	Very low	34.5	Very low	50 Å²	50	100.7 Å²	100.7	23%	0.234	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.2	178.1	-160.5	-174.2	27	0	0	113.7	L815 W834 I836	L815-Q838 HydrophobicContact CD1-CG 3.88Å; L815-Q838 HydrophobicContact CD2-CB 4.26Å; L815-Q838 VanDerWaalsContact CD2-CD 3.41Å; L815-Q838 HydrophobicContact CD2-CG 4.04Å; W834-Q838 PolarHBondContact O-N 3.23Å; I836-Q838 PolarHBondContact O-N 2.92Å
839	K	38	Very low	34	Very low	173 Å²	173	102.2 Å²	102.2	75%	0.752	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-39.8	-173.5	-75.8	-176.2	174.1	-179.7	0	114.1	I836 F841	I836-K839 PolarHBondContact O-N 2.86Å; K839-F841 PolarHBondContact O-N 3.3Å
840	D	36.3	Very low	33.6	Very low	91 Å²	91	107 Å²	107	49%	0.487	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-75.8	4.9	-165.1	-65.4	-2.5	0	0	0	115.5	I842	D840-I842 VanDerWaalsContact C-N 3.27Å; D840-I842 PolarHBondContact O-N 3.08Å
841	F	27.8	Very low	33	Very low	161 Å²	161	113.6 Å²	113.6	71%	0.706	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-73.2	-6.8	-174.5	-93.2	-82.1	0	0	0	115.7	L837 K839	L837-F841 VanDerWaalsContact O-CD2 3.22Å; L837-F841 WeakPolarHBondContact O-CD2 3.36Å; L837-F841 VanDerWaalsContact O-CE2 3.31Å; L837-F841 WeakPolarHBondContact O-CE2 3.07Å; K839-F841 PolarHBondContact O-N 3.3Å
842	I	29	Very low	32.4	Very low	159 Å²	159	114.8 Å²	114.8	82%	0.815	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-142.2	54.4	179.8	-37.2	177.8	0	0	0	112.4	D840	D840-I842 VanDerWaalsContact C-N 3.27Å; D840-I842 PolarHBondContact O-N 3.08Å
843	T	29	Very low	31.8	Very low	95 Å²	95	115.8 Å²	115.8	58%	0.583	59%	0.588	S	S	*	*			trans	-139.7	124.3	167.7	41.4	0	0	0	0	112
844	I	26.5	Very low	31.4	Very low	175 Å²	175	123.2 Å²	123.2	90%	0.897	62%	0.622	S	S	*	*	S	Bend	trans	-83.4	123.1	173.3	-60.7	176	0	0	0	108.5
845	N	30.1	Very low	30.7	Very low	103 Å²	103	126.2 Å²	126.2	55%	0.551	65%	0.647	S	S	*	*			trans	58.1	83.6	175.4	-169.8	1.3	0	0	0	116	F847 R848	N845-F847 VanDerWaalsContact C-N 3.35Å; N845-F847 PolarHBondContact O-N 3.49Å; N845-F847 PolarHBondContact OD1-N 2.95Å; N845-R848 PolarHBondContact OD1-N 2.95Å
846	P	33.3	Very low	30.2	Very low	96 Å²	96	128.3 Å²	128.3	62%	0.623	66%	0.658	S	S	*	*	S	Bend	trans	-79.9	0.1	-178.3	32.6	-36.4	0	0	0	116
847	F	28.4	Very low	29.8	Very low	146 Å²	146	130.1 Å²	130.1	64%	0.64	68%	0.675	S	S	*	*	S	Bend	trans	-134.4	-22.3	-175.3	-77.7	-66.7	0	0	0	116.8	N845 V849	N845-F847 VanDerWaalsContact C-N 3.35Å; N845-F847 PolarHBondContact O-N 3.49Å; N845-F847 PolarHBondContact OD1-N 2.95Å; F847-V849 HydrophobicContact CB-CG2 4.46Å; F847-V849 PolarHBondContact O-N 3.49Å
848	R	27	Very low	29.5	Very low	222 Å²	222	133.9 Å²	133.9	84%	0.838	70%	0.696	S	S	*	*			trans	54.8	18.2	171.5	-139.3	-177.3	-164.1	-160.6	5	116.9	N845 T850	N845-R848 PolarHBondContact OD1-N 2.95Å; R848-T850 PolarHBondContact O-N 2.94Å
849	V	28.4	Very low	29.3	Very low	114 Å²	114	137.1 Å²	137.1	69%	0.691	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-74.1	121	179.8	178	0	0	0	0	110.9	F847	F847-V849 HydrophobicContact CB-CG2 4.46Å; F847-V849 PolarHBondContact O-N 3.49Å
850	T	27.4	Very low	29.2	Very low	132 Å²	132	134.5 Å²	134.5	81%	0.81	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-79.7	133.6	162.3	46.6	0	0	0	0	109.8	R848	R848-T850 PolarHBondContact O-N 2.94Å
851	Y	25.7	Very low	29.2	Very low	223 Å²	223	135.7 Å²	135.7	88%	0.875	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.9	178.6	-77.2	-94.4	0	0	0	112.3
852	G	28.9	Very low	29.1	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	74%	0.741	S	S	*	*			trans	-143.9	127.8	168.7	0	0	0	0	0	110.4
853	H	28.3	Very low	28.8	Very low	162 Å²	162	131.5 Å²	131.5	75%	0.75	73%	0.733	S	S	*	*			trans	-79.1	169.4	169.7	-74.8	-134.7	0	0	0	109.3
854	E	27.7	Very low	28.9	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	75%	0.747	S	S	*	*			cis	-150.4	-147.9	5.6	-142	145.5	-138.1	0	0	112.4
855	T	26.2	Very low	28.8	Very low	123 Å²	123	132 Å²	132	76%	0.755	74%	0.736	S	S	*	*			trans	-112.3	173.9	-163.1	49.4	0	0	0	0	115.7
856	V	29.5	Very low	28.7	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	75%	0.746	S	S	*	*			trans	126.7	107	146.4	-179.4	0	0	0	0	118.7
857	S	28.2	Very low	28.4	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	75%	0.748	S	S	*	*			trans	30.5	132.9	147.7	74.8	0	0	0	0	127.2
858	N	27.8	Very low	28.3	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	75%	0.751	S	S	*	*				59.9	164	128.7	-63.9	-2	0	0	0	122.3
859	P	32.6	Very low	28.3	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	75%	0.748	S	S	*	*			cis	-129.2	-173.7	-34.6	35.7	-15.7	0	0	0	113
860	P	34.4	Very low	28.2	Very low	119 Å²	119	136.6 Å²	136.6	77%	0.773	75%	0.754	S	S	*	*			trans	-103	-162.1	-176.2	44.7	-38	0	0	0	112.4
861	P	36.3	Very low	28.1	Very low	116 Å²	116	135.5 Å²	135.5	75%	0.753	75%	0.747	S	S	*	*			cis	-139.1	-159.9	-1.4	37.5	-14	0	0	0	115.5
862	V	26.4	Very low	28.1	Very low	137 Å²	137	132 Å²	132	83%	0.83	74%	0.743	S	S	*	*			trans	129.1	143	149.7	179	0	0	0	0	116.1
863	S	23.6	Very low	28	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	74%	0.741	S	S	*	*			trans	-74.7	163.3	-166.5	58.4	0	0	0	0	118.3
864	I	30.8	Very low	27.9	Very low	171 Å²	171	130.7 Å²	130.7	88%	0.877	74%	0.741	S	S	*	*			trans	-149.3	164.3	131.3	-104.7	154.2	0	0	0	109.8
865	T	24.8	Very low	27.8	Very low	109 Å²	109	135 Å²	135	67%	0.669	75%	0.75	S	S	*	*			trans	-124.3	168.9	-165.8	58	0	0	0	0	114
866	K	26.4	Very low	27.9	Very low	176 Å²	176	132.5 Å²	132.5	77%	0.765	75%	0.749	S	S	*	*			trans	107.2	117.5	150.5	-72.3	170	-175.5	173.4	0	121
867	Q	28.3	Very low	27.9	Very low	140 Å²	140	135.1 Å²	135.1	65%	0.654	75%	0.754	S	S	*	*				99	107.7	123.5	-75.1	-175.3	28	0	0	123.4
868	K	25.6	Very low	27.8	Very low	164 Å²	164	139.4 Å²	139.4	71%	0.713	76%	0.761	S	S	*	*				79.5	122.7	119	-73.5	176.8	176.9	176.7	0	122.5
869	S	26.8	Very low	27.8	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	75%	0.752	S	S	*	*			trans	76.8	154.2	130.9	79.6	0	0	0	0	118.4
870	K	26	Very low	27.5	Very low	187 Å²	187	137.4 Å²	137.4	81%	0.813	76%	0.755	S	S	*	*			cis	-164.8	160	-10	-125	-172.9	172.8	-173.4	0	110.5
871	V	26.9	Very low	27.4	Very low	110 Å²	110	140.3 Å²	140.3	67%	0.667	76%	0.758	S	S	*	*			trans	73.2	112.2	142.6	168.6	0	0	0	0	121.7
872	L	25.4	Very low	27	Very low	149 Å²	149	139.7 Å²	139.7	78%	0.78	76%	0.756	S	S	*	*			trans	60.1	124.4	134.9	-85.2	68.4	0	0	0	126
873	S	25.5	Very low	27.1	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	76%	0.759	S	S	*	*				84.7	122.8	118.5	74.5	0	0	0	0	125.5
874	S	26.9	Very low	27.3	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	77%	0.77	S	S	*	*				82.8	107.9	126.6	65.5	0	0	0	0	124.7
875	R	25.3	Very low	27.2	Very low	253 Å²	253	144.6 Å²	144.6	96%	0.955	77%	0.766	S	S	*	*				79.6	118.6	114.5	-165.5	178.8	-172	167.1	2.8	121.6
876	G	28.8	Very low	27.4	Very low	71 Å²	71	145.7 Å²	145.7	73%	0.732	77%	0.768	S	S	*	*			trans	99.3	153.5	158.1	0	0	0	0	0	115.7
877	E	28.3	Very low	27.6	Very low	164 Å²	164	142.8 Å²	142.8	77%	0.766	77%	0.767	S	S	*	*			cis	-154	-171.3	-24.7	-138.8	-173.3	151.3	0	0	111.1
878	K	26	Very low	27.7	Very low	180 Å²	180	141.8 Å²	141.8	78%	0.783	77%	0.765	S	S	*	*			trans	-66.6	165.6	-170.1	-49.7	138.4	-174.6	143.1	0	112.6
879	A	29	Very low	27.9	Very low	76 Å²	76	140.4 Å²	140.4	63%	0.628	76%	0.761	S	S	*	*			cis	-170.4	165.1	31.2	0	0	0	0	0	114.3
880	N	26.4	Very low	28	Very low	152 Å²	152	142.6 Å²	142.6	81%	0.813	76%	0.759	S	S	*	*			trans	46.8	137	147.7	-51.5	-16.7	0	0	0	120.8
881	Q	31.9	Very low	28.4	Very low	180 Å²	180	139 Å²	139	84%	0.841	75%	0.753	S	S	*	*			cis	-157.2	144.4	47.1	-77	-177.4	-24.5	0	0	115.6
882	S	27	Very low	28.5	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	75%	0.745	S	S	*	*			trans	32.6	114.8	146.8	64.9	0	0	0	0	124
883	V	30.3	Very low	28.8	Very low	148 Å²	148	136.5 Å²	136.5	90%	0.897	74%	0.735	S	S	*	*				-132.9	148.9	126.4	178.8	0	0	0	0	108
884	K	26.2	Very low	29.1	Very low	202 Å²	202	135.9 Å²	135.9	88%	0.878	73%	0.73	S	S	*	*			trans	-91.2	116.3	-171.7	-61.5	173.7	-179.8	175	0	113.6
885	I	29.5	Very low	29.2	Very low	156 Å²	156	140.6 Å²	140.6	80%	0.8	73%	0.731	S	S	*	*			trans	-141.3	151.5	152.7	-58.3	-174.4	0	0	0	108.2
886	N	29.6	Very low	29.4	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	72%	0.715	S	S	*	*			trans	-82.3	130.6	-169.7	-68.8	-27.9	0	0	0	114.1	I888	N886-I888 PolarHBondContact O-N 3.47Å
887	P	29.2	Very low	29.4	Very low	116 Å²	116	139.6 Å²	139.6	75%	0.753	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	70.6	176.5	35.5	-35.7	0	0	0	112.3
888	I	30.6	Very low	29.6	Very low	119 Å²	119	139 Å²	139	61%	0.61	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-19.1	172.3	-68.7	-179.8	0	0	0	112.3	N886	N886-I888 PolarHBondContact O-N 3.47Å
889	E	29.6	Very low	29.7	Very low	134 Å²	134	136.8 Å²	136.8	63%	0.626	72%	0.717	S	S	*	*	S	Bend	trans	-90.1	-28.3	-170.3	-61.6	-176.7	123.5	0	0	114.1	T891 I892 I893	E889-T891 PolarHBondContact O-N 2.82Å; E889-I892 PolarHBondContact O-N 3.38Å; E889-I892 VanDerWaalsContact O-N 3.14Å; E889-I893 WeakPolarHBondContact O-CG1 3.22Å; E889-I893 PolarHBondContact O-N 2.85Å; E889-I893 VanDerWaalsContact O-N 3.15Å
890	E	30	Very low	30	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	71%	0.71	S	S	*	*	H	α-helix	trans	-71.7	-32.1	-175.6	-65.6	-171.6	121.9	0	0	114.4	I892 S894	E890-I892 PolarHBondContact O-N 2.84Å; E890-S894 PolarHBondContact O-N 3.33Å; E890-S894 PolarHBondContact O-OG 3.46Å
891	T	33.4	Very low	30.5	Very low	111 Å²	111	132.1 Å²	132.1	68%	0.681	68%	0.681	S	S	*	*	H	α-helix	trans	-74	-6.7	172.3	37.4	0	0	0	0	113.9	E889	E889-T891 PolarHBondContact O-N 2.82Å
892	I	29.9	Very low	30.6	Very low	98 Å²	98	124.4 Å²	124.4	50%	0.503	65%	0.647	S	S	.	*	H	α-helix	trans	-94.4	-48.1	171.4	-61.1	178.7	0	0	0	109.4	E889 E890 S894 R895	E889-I892 PolarHBondContact O-N 3.38Å; E889-I892 VanDerWaalsContact O-N 3.14Å; E890-I892 PolarHBondContact O-N 2.84Å; I892-S894 VanDerWaalsContact C-N 3.32Å; I892-S894 PolarHBondContact O-N 3.06Å; I892-R895 PolarHBondContact O-N 3.04Å
893	I	30.9	Very low	31	Very low	110 Å²	110	120.8 Å²	120.8	56%	0.564	62%	0.619	S	S	*	*	H	α-helix	trans	-61	-38.9	-176.8	-66.7	166.6	0	0	0	112.1	E889 R895 W896	E889-I893 WeakPolarHBondContact O-CG1 3.22Å; E889-I893 PolarHBondContact O-N 2.85Å; E889-I893 VanDerWaalsContact O-N 3.15Å; I893-R895 PolarHBondContact O-N 2.94Å; I893-R895 VanDerWaalsContact O-N 3.12Å; I893-W896 PolarHBondContact O-N 2.98Å
894	S	32.6	Very low	31.4	Very low	85 Å²	85	114.3 Å²	114.3	59%	0.594	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-11.9	176.7	47.2	0	0	0	0	115	E890 I892	E890-S894 PolarHBondContact O-N 3.33Å; E890-S894 PolarHBondContact O-OG 3.46Å; I892-S894 VanDerWaalsContact C-N 3.32Å; I892-S894 PolarHBondContact O-N 3.06Å
895	R	29	Very low	32	Very low	207 Å²	207	108.7 Å²	108.7	78%	0.781	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-8.2	-178.2	-155.7	169.5	-171.6	145.2	4.5	114.6	I892 I893	I892-R895 PolarHBondContact O-N 3.04Å; I893-R895 PolarHBondContact O-N 2.94Å; I893-R895 VanDerWaalsContact O-N 3.12Å
896	W	28.5	Very low	32.5	Very low	161 Å²	161	103.7 Å²	103.7	61%	0.61	54%	0.535	S	S	*	.	S	Bend	trans	-102.3	-3.5	-179	-74	78.2	0	0	0	114.2	I893 Q898	I893-W896 PolarHBondContact O-N 2.98Å; W896-Q898 VanDerWaalsContact C-N 3.31Å; W896-Q898 PolarHBondContact O-N 3.11Å
897	N	29.5	Very low	32.8	Very low	142 Å²	142	99.1 Å²	99.1	76%	0.759	52%	0.515	S	S	*	.			trans	-91.8	25.1	177.6	-69.7	-16.3	0	0	0	113.6
898	Q	32.6	Very low	33.3	Very low	152 Å²	152	95.3 Å²	95.3	71%	0.71	49%	0.488	S	S	*	.	S	Bend	trans	-95.4	140.7	165	-69.9	-171.9	-21.8	0	0	109.1	W896 I900	W896-Q898 VanDerWaalsContact C-N 3.31Å; W896-Q898 PolarHBondContact O-N 3.11Å; Q898-I900 PolarHBondContact O-N 3.1Å; Q898-I900 VanDerWaalsContact O-N 3.1Å
899	P	28.5	Very low	33.6	Very low	132 Å²	132	93.5 Å²	93.5	86%	0.857	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-62	117.1	-178.4	25.2	-33.5	0	0	0	110.2	D901	P899-D901 PolarHBondContact O-N 2.76Å
900	I	34.9	Very low	33.9	Very low	94 Å²	94	91.3 Å²	91.3	48%	0.482	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-65.1	125.9	175.7	-60.3	175.8	0	0	0	107.9	Q898 L905	Q898-I900 PolarHBondContact O-N 3.1Å; Q898-I900 VanDerWaalsContact O-N 3.1Å; I900-L905 HydrophobicContact CB-CD1 4.37Å; I900-L905 HydrophobicContact CG2-CB 4.2Å; I900-L905 HydrophobicContact CG2-CD1 4.19Å; I900-L905 HydrophobicContact CG2-CG 4.49Å
901	D	36.2	Very low	34.3	Very low	36 Å²	36	86.6 Å²	86.6	19%	0.193	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-56.7	126.4	179.6	-174.4	-72.2	0	0	0	110.7	P899 D903 I904 L905 R1093 K1095	P899-D901 PolarHBondContact O-N 2.76Å; D901-D903 VanDerWaalsContact C-N 3.26Å; D901-D903 PolarHBondContact O-N 3.24Å; D901-D903 WeakPolarHBondContact OD1-CB 3.17Å; D901-D903 PolarHBondContact OD1-N 2.84Å; D901-I904 HydrophobicContact CB-CB 4.14Å; D901-I904 HydrophobicContact CB-CD1 3.84Å; D901-I904 HydrophobicContact CB-CG1 3.9Å; D901-I904 CarbonylContact O-C 3.55Å; D901-I904 WeakPolarHBondContact O-CA 3.27Å; D901-I904 WeakPolarHBondContact O-CB 3.38Å; D901-I904 PolarHBondContact O-N 2.96Å; D901-L905 PolarHBondContact O-N 3.09Å; D901-R1093 VanDerWaalsContact CG-NH1 3.28Å; D901-R1093 IonicContact OD1-CZ 2.81Å; D901-R1093 IonicContact OD1-NH1 3.57Å; D901-R1093 PolarHBondContact OD1-NH1 3.03Å; D901-R1093 IonicContact OD1-NH2 2.73Å; D901-R1093 IonicContact OD2-CZ 2.71Å; D901-R1093 VanDerWaalsContact OD2-CZ 3.31Å; D901-R1093 IonicContact OD2-NH1 2.69Å; D901-R1093 PolarHBondContact OD2-NH1 3.14Å; D901-R1093 VanDerWaalsContact OD2-NH1 3.08Å; D901-R1093 IonicContact OD2-NH2 2.65Å; D901-R1093 PolarHBondContact OD2-NH2 3.19Å; D901-K1095 IonicContact OD1-NZ 2.67Å; D901-K1095 VanDerWaalsContact OD2-CE 3.29Å; D901-K1095 WeakPolarHBondContact OD2-CE 3.28Å; D901-K1095 IonicContact OD2-NZ 2.69Å
902	P	34.8	Very low	34.4	Very low	19 Å²	19	84.2 Å²	84.2	12%	0.123	43%	0.429	C	S	.	.	H	α-helix	trans	-65.1	-21.6	-174.7	16.6	-26.5	0	0	0	114.7	V906 Y1120 Y1122	P902-V906 VanDerWaalsContact O-CB 3.29Å; P902-V906 WeakPolarHBondContact O-CB 3.31Å; P902-V906 VanDerWaalsContact O-CG2 3.23Å; P902-V906 WeakPolarHBondContact O-CG2 3.22Å; P902-V906 PolarHBondContact O-N 3.02Å; P902-Y1120 HydrophobicContact CB-CD1 4.22Å; P902-Y1120 HydrophobicContact CB-CD2 3.31Å; P902-Y1120 HydrophobicContact CB-CE1 4.34Å; P902-Y1120 HydrophobicContact CB-CE2 3.47Å; P902-Y1120 VanDerWaalsContact CB-CE2 3.47Å; P902-Y1120 HydrophobicContact CB-CG 3.71Å; P902-Y1120 HydrophobicContact CG-CD1 4.36Å; P902-Y1120 HydrophobicContact CG-CD2 3.55Å; P902-Y1120 HydrophobicContact CG-CE2 4.24Å; P902-Y1120 HydrophobicContact CG-CG 3.62Å; P902-Y1122 HydrophobicContact CG-CE1 4.31Å; P902-Y1122 WeakPolarHBondContact CG-OH 3.5Å
903	D	35.9	Very low	34.7	Very low	26 Å²	26	83.2 Å²	83.2	14%	0.139	43%	0.43	C	S	.	.	H	α-helix	trans	-74.1	-37.2	169.9	-55.5	-34	0	0	0	111.2	D901 L905 V906 A907 R1093 K1095 Y1122 Q1155	D901-D903 VanDerWaalsContact C-N 3.26Å; D901-D903 PolarHBondContact O-N 3.24Å; D901-D903 WeakPolarHBondContact OD1-CB 3.17Å; D901-D903 PolarHBondContact OD1-N 2.84Å; D903-L905 VanDerWaalsContact C-N 3.29Å; D903-V906 PolarHBondContact O-N 3.02Å; D903-A907 WeakPolarHBondContact O-CA 3.11Å; D903-A907 WeakPolarHBondContact O-CB 3.5Å; D903-A907 PolarHBondContact O-N 3.27Å; D903-R1093 IonicContact OD1-NH1 3.54Å; D903-R1093 PolarHBondContact OD1-NH1 3.23Å; D903-R1093 IonicContact OD2-CZ 3.18Å; D903-R1093 IonicContact OD2-NH1 3.52Å; D903-R1093 PolarHBondContact OD2-NH1 3.23Å; D903-K1095 WeakPolarHBondContact OD2-CE 3.36Å; D903-K1095 IonicContact OD2-NZ 3.13Å; D903-K1095 PolarHBondContact OD2-NZ 2.92Å; D903-Y1122 PolarHBondContact OD1-OH 3.44Å; D903-Q1155 VanDerWaalsContact OD2-CD 3.23Å; D903-Q1155 PolarHBondContact OD2-NE2 2.91Å; D903-Q1155 PolarHBondContact OD2-OE1 2.72Å
904	I	38.9	Very low	35	Very low	12 Å²	12	83.4 Å²	83.4	6%	0.062	43%	0.432	C	S	.	.	H	α-helix	trans	-65.4	-39.9	174.6	-62	-179.6	0	0	0	108.8	D829 Y832 D901 I908	D829-I904 HydrophobicContact CB-CD1 3.95Å; D829-I904 HydrophobicContact CB-CG1 3.8Å; Y832-I904 HydrophobicContact CD1-CD1 3.7Å; Y832-I904 HydrophobicContact CD1-CG2 4.1Å; Y832-I904 HydrophobicContact CE1-CD1 4.39Å; Y832-I904 HydrophobicContact CG-CD1 4.19Å; D901-I904 HydrophobicContact CB-CB 4.14Å; D901-I904 HydrophobicContact CB-CD1 3.84Å; D901-I904 HydrophobicContact CB-CG1 3.9Å; D901-I904 CarbonylContact O-C 3.55Å; D901-I904 WeakPolarHBondContact O-CA 3.27Å; D901-I904 WeakPolarHBondContact O-CB 3.38Å; D901-I904 PolarHBondContact O-N 2.96Å; I904-I908 HydrophobicContact CG2-CD1 3.73Å; I904-I908 HydrophobicContact CG2-CG1 4.39Å; I904-I908 WeakPolarHBondContact O-CB 3.43Å; I904-I908 WeakPolarHBondContact O-CD1 3.35Å; I904-I908 WeakPolarHBondContact O-CG1 3.35Å; I904-I908 PolarHBondContact O-N 3.13Å
905	L	38.1	Very low	35	Very low	85 Å²	85	84.2 Å²	84.2	45%	0.445	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-44.4	175.5	-151.2	155.6	0	0	0	111.7	I900 D901 D903 I908 V909	I900-L905 HydrophobicContact CB-CD1 4.37Å; I900-L905 HydrophobicContact CG2-CB 4.2Å; I900-L905 HydrophobicContact CG2-CD1 4.19Å; I900-L905 HydrophobicContact CG2-CG 4.49Å; D901-L905 PolarHBondContact O-N 3.09Å; D903-L905 VanDerWaalsContact C-N 3.29Å; L905-I908 PolarHBondContact O-N 2.84Å; L905-V909 HydrophobicContact CD2-CG2 4.06Å; L905-V909 WeakPolarHBondContact O-CB 3.44Å; L905-V909 VanDerWaalsContact O-CG2 3.27Å; L905-V909 WeakPolarHBondContact O-CG2 3.34Å; L905-V909 PolarHBondContact O-N 2.97Å
906	V	39	Very low	35.2	Very low	51 Å²	51	81.6 Å²	81.6	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.3	166.8	0	0	0	0	112.2	P902 D903 V909 R910	P902-V906 VanDerWaalsContact O-CB 3.29Å; P902-V906 WeakPolarHBondContact O-CB 3.31Å; P902-V906 VanDerWaalsContact O-CG2 3.23Å; P902-V906 WeakPolarHBondContact O-CG2 3.22Å; P902-V906 PolarHBondContact O-N 3.02Å; D903-V906 PolarHBondContact O-N 3.02Å; V906-V909 PolarHBondContact O-N 3.34Å; V906-R910 HydrophobicContact CG1-CG 4.38Å; V906-R910 WeakPolarHBondContact O-CB 3.38Å; V906-R910 VanDerWaalsContact O-CG 3.24Å; V906-R910 WeakPolarHBondContact O-CG 3.25Å; V906-R910 PolarHBondContact O-N 2.76Å
907	A	37.7	Very low	35.3	Very low	34 Å²	34	75.5 Å²	75.5	28%	0.281	40%	0.402	S	S	.	.	H	α-helix	trans	-68.2	-43	175.6	0	0	0	0	0	111.1	D903 V909 R910 I911	D903-A907 WeakPolarHBondContact O-CA 3.11Å; D903-A907 WeakPolarHBondContact O-CB 3.5Å; D903-A907 PolarHBondContact O-N 3.27Å; A907-V909 VanDerWaalsContact C-N 3.34Å; A907-R910 PolarHBondContact O-N 2.94Å; A907-I911 WeakPolarHBondContact O-CB 3.44Å; A907-I911 VanDerWaalsContact O-CG1 3.25Å; A907-I911 WeakPolarHBondContact O-CG1 3.27Å; A907-I911 PolarHBondContact O-N 3.16Å
908	I	38.6	Very low	35.6	Very low	36 Å²	36	76.4 Å²	76.4	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-61.2	-43.4	172.1	-73.3	171	0	0	0	110.1	A833 I836 I904 L905 I911 Q912	A833-I908 HydrophobicContact CB-CG1 4.49Å; I836-I908 HydrophobicContact CD1-CD1 3.91Å; I904-I908 HydrophobicContact CG2-CD1 3.73Å; I904-I908 HydrophobicContact CG2-CG1 4.39Å; I904-I908 WeakPolarHBondContact O-CB 3.43Å; I904-I908 WeakPolarHBondContact O-CD1 3.35Å; I904-I908 WeakPolarHBondContact O-CG1 3.35Å; I904-I908 PolarHBondContact O-N 3.13Å; L905-I908 PolarHBondContact O-N 2.84Å; I908-I911 PolarHBondContact O-N 2.99Å; I908-Q912 HydrophobicContact CG2-CG 4.1Å; I908-Q912 VanDerWaalsContact CG2-NE2 3.32Å; I908-Q912 WeakPolarHBondContact O-CA 3.33Å; I908-Q912 WeakPolarHBondContact O-CB 3.44Å; I908-Q912 WeakPolarHBondContact O-CG 3.43Å; I908-Q912 PolarHBondContact O-N 2.96Å
909	V	38	Very low	35.5	Very low	81 Å²	81	74.3 Å²	74.3	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-40.3	176.3	166.9	0	0	0	0	112.1	L905 V906 A907 S913	L905-V909 HydrophobicContact CD2-CG2 4.06Å; L905-V909 WeakPolarHBondContact O-CB 3.44Å; L905-V909 VanDerWaalsContact O-CG2 3.27Å; L905-V909 WeakPolarHBondContact O-CG2 3.34Å; L905-V909 PolarHBondContact O-N 2.97Å; V906-V909 PolarHBondContact O-N 3.34Å; A907-V909 VanDerWaalsContact C-N 3.34Å; V909-S913 WeakPolarHBondContact O-CB 3.36Å; V909-S913 PolarHBondContact O-N 2.91Å; V909-S913 PolarHBondContact O-OG 2.85Å
910	R	35.7	Very low	35.7	Very low	89 Å²	89	71.9 Å²	71.9	34%	0.336	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-41.6	175.4	-74.6	171.3	178.9	-174.5	0.8	112.5	V906 A907 S913 L914	V906-R910 HydrophobicContact CG1-CG 4.38Å; V906-R910 WeakPolarHBondContact O-CB 3.38Å; V906-R910 VanDerWaalsContact O-CG 3.24Å; V906-R910 WeakPolarHBondContact O-CG 3.25Å; V906-R910 PolarHBondContact O-N 2.76Å; A907-R910 PolarHBondContact O-N 2.94Å; R910-S913 PolarHBondContact O-OG 2.92Å; R910-L914 VanDerWaalsContact O-CD1 3.28Å; R910-L914 WeakPolarHBondContact O-CD1 3.41Å; R910-L914 PolarHBondContact O-N 2.85Å
911	I	37.4	Very low	35.7	Very low	58 Å²	58	75.9 Å²	75.9	30%	0.297	37%	0.369	S	S	.	.	H	α-helix	trans	-70.9	-40.8	176.5	-67.6	166	0	0	0	110.1	L837 A907 I908 F915	L837-I911 HydrophobicContact CD1-CG2 4.48Å; A907-I911 WeakPolarHBondContact O-CB 3.44Å; A907-I911 VanDerWaalsContact O-CG1 3.25Å; A907-I911 WeakPolarHBondContact O-CG1 3.27Å; A907-I911 PolarHBondContact O-N 3.16Å; I908-I911 PolarHBondContact O-N 2.99Å; I911-F915 HydrophobicContact CG2-CD2 4.28Å; I911-F915 WeakPolarHBondContact O-CB 3.34Å; I911-F915 WeakPolarHBondContact O-CD2 3.44Å; I911-F915 PolarHBondContact O-N 2.88Å
912	Q	36.2	Very low	35.8	Very low	61 Å²	61	76.3 Å²	76.3	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-33.6	176.5	-75.2	-177.1	8.3	0	0	112.7	I908 R916	I908-Q912 HydrophobicContact CG2-CG 4.1Å; I908-Q912 VanDerWaalsContact CG2-NE2 3.32Å; I908-Q912 WeakPolarHBondContact O-CA 3.33Å; I908-Q912 WeakPolarHBondContact O-CB 3.44Å; I908-Q912 WeakPolarHBondContact O-CG 3.43Å; I908-Q912 PolarHBondContact O-N 2.96Å; Q912-R916 HydrophobicContact CB-CG 4.13Å; Q912-R916 VanDerWaalsContact CD-CZ 3.43Å; Q912-R916 HydrophobicContact CG-CG 4.42Å; Q912-R916 WeakPolarHBondContact O-CA 3.48Å; Q912-R916 WeakPolarHBondContact O-CB 3.47Å; Q912-R916 WeakPolarHBondContact O-CG 3.49Å; Q912-R916 PolarHBondContact O-N 2.83Å
913	S	35.3	Very low	35.7	Very low	76 Å²	76	78 Å²	78	53%	0.531	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-45.6	174.8	66.3	0	0	0	0	111.1	V909 R910 F915	V909-S913 WeakPolarHBondContact O-CB 3.36Å; V909-S913 PolarHBondContact O-N 2.91Å; V909-S913 PolarHBondContact O-OG 2.85Å; R910-S913 PolarHBondContact O-OG 2.92Å; S913-F915 PolarHBondContact O-N 2.75Å
914	L	37.3	Very low	35.7	Very low	115 Å²	115	82.5 Å²	82.5	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-59.5	-44.7	173.4	-95.7	84	0	0	0	112.9	R910	R910-L914 VanDerWaalsContact O-CD1 3.28Å; R910-L914 WeakPolarHBondContact O-CD1 3.41Å; R910-L914 PolarHBondContact O-N 2.85Å
915	F	33	Very low	35.7	Very low	102 Å²	102	88 Å²	88	45%	0.447	43%	0.43	S	S	.	.	I	π-helix	trans	-90.3	-44.6	-173.2	-83.4	-97	0	0	0	114.8	I911 S913 R919 I920	I911-F915 HydrophobicContact CG2-CD2 4.28Å; I911-F915 WeakPolarHBondContact O-CB 3.34Å; I911-F915 WeakPolarHBondContact O-CD2 3.44Å; I911-F915 PolarHBondContact O-N 2.88Å; S913-F915 PolarHBondContact O-N 2.75Å; F915-R919 HydrophobicContact CD1-CB 4.39Å; F915-R919 PolarHBondContact O-N 2.86Å; F915-I920 PolarHBondContact O-N 2.75Å
916	R	33.8	Very low	35.6	Very low	152 Å²	152	86.6 Å²	86.6	57%	0.574	42%	0.423	S	S	*	.	I	π-helix	trans	-68	-40.4	-177.3	-64.1	-174.9	165.1	174.4	-8.3	112.3	Q912 I920	Q912-R916 HydrophobicContact CB-CG 4.13Å; Q912-R916 VanDerWaalsContact CD-CZ 3.43Å; Q912-R916 HydrophobicContact CG-CG 4.42Å; Q912-R916 WeakPolarHBondContact O-CA 3.48Å; Q912-R916 WeakPolarHBondContact O-CB 3.47Å; Q912-R916 WeakPolarHBondContact O-CG 3.49Å; Q912-R916 PolarHBondContact O-N 2.83Å; R916-I920 HydrophobicContact CB-CD1 4.36Å; R916-I920 HydrophobicContact CG-CD1 4.04Å
917	G	30.1	Very low	35.7	Very low	32 Å²	32	90.8 Å²	90.8	33%	0.33	44%	0.444	S	S	.	.	I	π-helix	trans	-67.6	-44.4	-173	0	0	0	0	0	114.2	R921	G917-R921 PolarHBondContact O-NE 2.85Å; G917-R921 VanDerWaalsContact O-NE 3.11Å; G917-R921 PolarHBondContact O-NH2 3.16Å
918	Y	35	Very low	36	Very low	161 Å²	161	95.2 Å²	95.2	63%	0.631	46%	0.458	S	S	*	.	I	π-helix	trans	-116.5	-47.2	-167	-167.2	-99.1	0	0	0	113.3
919	R	32.1	Very low	36.5	Very low	109 Å²	109	94.2 Å²	94.2	41%	0.411	45%	0.454	S	S	.	.	I	π-helix	trans	-80	-36.3	-175.9	-83.3	-174.2	173.8	152.3	-1.1	114.2	F915 R921 N922 A923 C982	F915-R919 HydrophobicContact CD1-CB 4.39Å; F915-R919 PolarHBondContact O-N 2.86Å; R919-R921 PolarHBondContact O-N 3.48Å; R919-N922 PolarHBondContact O-N 2.79Å; R919-A923 VanDerWaalsContact O-CB 3.24Å; R919-A923 WeakPolarHBondContact O-CB 3.3Å; R919-A923 PolarHBondContact O-N 3.27Å; R919-C982 PolarHBondContact NH2-SG 2.84Å
920	I	32.2	Very low	37.1	Very low	81 Å²	81	95.2 Å²	95.2	42%	0.415	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-42.5	178.3	-69	-173.9	0	0	0	111.9	F915 R916 N922 A923 I924	F915-I920 PolarHBondContact O-N 2.75Å; R916-I920 HydrophobicContact CB-CD1 4.36Å; R916-I920 HydrophobicContact CG-CD1 4.04Å; I920-N922 VanDerWaalsContact C-N 3.26Å; I920-N922 PolarHBondContact O-N 3.24Å; I920-A923 PolarHBondContact O-N 3.37Å; I920-I924 HydrophobicContact CG2-CD1 3.62Å; I920-I924 HydrophobicContact CG2-CG1 4.28Å; I920-I924 WeakPolarHBondContact O-CB 3.38Å; I920-I924 WeakPolarHBondContact O-CG1 3.12Å; I920-I924 PolarHBondContact O-N 2.56Å
921	R	34.7	Very low	38	Very low	177 Å²	177	96.3 Å²	96.3	67%	0.668	46%	0.462	S	S	*	.	H	α-helix	trans	-63.7	-28	176.9	-78.2	-171.9	-77.9	-164	-3.1	114	G917 R919	G917-R921 PolarHBondContact O-NE 2.85Å; G917-R921 VanDerWaalsContact O-NE 3.11Å; G917-R921 PolarHBondContact O-NH2 3.16Å; R919-R921 PolarHBondContact O-N 3.48Å
922	N	37.5	Very low	38.7	Very low	46 Å²	46	94.6 Å²	94.6	25%	0.246	45%	0.452	C	S	.	.	H	α-helix	trans	-88.7	-37.4	175.5	-70.6	-12.5	0	0	0	112.4	R919 I920 I924 R925 L926 L975	R919-N922 PolarHBondContact O-N 2.79Å; I920-N922 VanDerWaalsContact C-N 3.26Å; I920-N922 PolarHBondContact O-N 3.24Å; N922-I924 PolarHBondContact O-N 3.41Å; N922-R925 PolarHBondContact O-N 3.16Å; N922-R925 VanDerWaalsContact O-N 3.14Å; N922-L926 WeakPolarHBondContact O-CG 3.44Å; N922-L926 PolarHBondContact O-N 3.05Å; N922-L975 HydrophobicContact CB-CD1 4.18Å
923	A	33.3	Very low	39.7	Very low	55 Å²	55	92.5 Å²	92.5	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-37.6	177.9	0	0	0	0	0	112.6	R919 I920 R925 L926 N927	R919-A923 VanDerWaalsContact O-CB 3.24Å; R919-A923 WeakPolarHBondContact O-CB 3.3Å; R919-A923 PolarHBondContact O-N 3.27Å; I920-A923 PolarHBondContact O-N 3.37Å; A923-R925 VanDerWaalsContact C-N 3.27Å; A923-R925 PolarHBondContact O-N 3.37Å; A923-L926 PolarHBondContact O-N 2.99Å; A923-N927 PolarHBondContact O-N 2.85Å
924	I	36.3	Very low	40.6	Very low	120 Å²	120	94.9 Å²	94.9	62%	0.615	45%	0.446	S	S	*	.	H	α-helix	trans	-63.4	-34.2	173.3	-69.6	171.4	0	0	0	111.1	I920 N922	I920-I924 HydrophobicContact CG2-CD1 3.62Å; I920-I924 HydrophobicContact CG2-CG1 4.28Å; I920-I924 WeakPolarHBondContact O-CB 3.38Å; I920-I924 WeakPolarHBondContact O-CG1 3.12Å; I920-I924 PolarHBondContact O-N 2.56Å; N922-I924 PolarHBondContact O-N 3.41Å
925	R	38.7	Very low	41.4	Very low	128 Å²	128	90.9 Å²	90.9	48%	0.483	43%	0.426	S	S	.	.	H	α-helix	trans	-77.7	-36.5	175.8	-74	178.1	166.7	169.1	-3.9	113.3	N922 A923 N927 Q928	N922-R925 PolarHBondContact O-N 3.16Å; N922-R925 VanDerWaalsContact O-N 3.14Å; A923-R925 VanDerWaalsContact C-N 3.27Å; A923-R925 PolarHBondContact O-N 3.37Å; R925-N927 PolarHBondContact O-N 3.19Å; R925-Q928 PolarHBondContact O-N 2.89Å; R925-Q928 VanDerWaalsContact O-N 3.1Å
926	L	36.5	Very low	42.5	Very low	55 Å²	55	86.4 Å²	86.4	29%	0.288	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-19.3	174.7	-76.1	160.8	0	0	0	112.8	N922 A923 Q928 L975 W979	N922-L926 WeakPolarHBondContact O-CG 3.44Å; N922-L926 PolarHBondContact O-N 3.05Å; A923-L926 PolarHBondContact O-N 2.99Å; L926-Q928 PolarHBondContact O-N 2.67Å; L926-L975 HydrophobicContact CD2-CD2 3.63Å; L926-L975 HydrophobicContact CG-CD2 4.05Å; L926-W979 HydrophobicContact CD1-CE3 3.93Å; L926-W979 HydrophobicContact CD1-CZ3 3.95Å; L926-W979 HydrophobicContact CD2-CE3 3.73Å; L926-W979 HydrophobicContact CD2-CZ3 3.8Å; L926-W979 HydrophobicContact CG-CE3 4.47Å; L926-W979 HydrophobicContact CG-CZ3 4.36Å
927	N	39.6	Very low	43.6	Very low	139 Å²	139	82.2 Å²	82.2	74%	0.743	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.3	175.7	-138.2	24.2	0	0	0	113.8	A923 R925	A923-N927 PolarHBondContact O-N 2.85Å; R925-N927 PolarHBondContact O-N 3.19Å
928	Q	45.8	Very low	44.9	Very low	127 Å²	127	83.3 Å²	83.3	59%	0.593	40%	0.398	S	S	*	.			trans	-133.9	79.5	172.5	-71	-166.6	-15.9	0	0	110.9	R925 L926 N930 Y931	R925-Q928 PolarHBondContact O-N 2.89Å; R925-Q928 VanDerWaalsContact O-N 3.1Å; L926-Q928 PolarHBondContact O-N 2.67Å; Q928-N930 PolarHBondContact O-N 2.82Å; Q928-Y931 WeakPolarHBondContact O-CB 3.45Å; Q928-Y931 PolarHBondContact O-N 3.46Å
929	P	48.9	Very low	45.9	Very low	14 Å²	14	76.5 Å²	76.5	9%	0.091	37%	0.373	C	S	.	.	H	α-helix	trans	-52.9	-36.7	174	20.3	-33.3	0	0	0	112.8	F790 Y931 M932 I933	F790-P929 HydrophobicContact CE1-CB 3.6Å; F790-P929 HydrophobicContact CZ-CB 4.01Å; P929-Y931 PolarHBondContact O-N 3.13Å; P929-M932 PolarHBondContact O-N 2.88Å; P929-I933 WeakPolarHBondContact O-CG1 3.14Å; P929-I933 PolarHBondContact O-N 2.95Å
930	N	50.3	Low	46.9	Very low	102 Å²	102	71.9 Å²	71.9	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-52.9	-36.5	175	-65.2	23.5	0	0	0	112.8	Q928 M932 I933 E934	Q928-N930 PolarHBondContact O-N 2.82Å; N930-M932 PolarHBondContact O-N 3.37Å; N930-I933 PolarHBondContact O-N 2.72Å; N930-E934 WeakPolarHBondContact O-CB 3.38Å; N930-E934 WeakPolarHBondContact O-CG 3.25Å; N930-E934 PolarHBondContact O-N 3.42Å
931	Y	53.7	Low	47.7	Very low	113 Å²	113	73.8 Å²	73.8	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-33.4	179.7	-176.1	-101.2	0	0	0	112.6	Q928 P929 T935	Q928-Y931 WeakPolarHBondContact O-CB 3.45Å; Q928-Y931 PolarHBondContact O-N 3.46Å; P929-Y931 PolarHBondContact O-N 3.13Å; Y931-T935 HydrophobicContact CE1-CG2 4.27Å; Y931-T935 WeakPolarHBondContact O-CB 3.37Å; Y931-T935 WeakPolarHBondContact O-CG2 3.22Å; Y931-T935 PolarHBondContact O-N 3.18Å; Y931-T935 PolarHBondContact O-OG1 3.22Å
932	M	52.7	Low	48.6	Very low	21 Å²	21	67.3 Å²	67.3	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-73.8	-37.5	171.9	-68.8	-150.8	-63.6	0	0	111.8	L734 P929 N930 T935 L936 I972 L975	L734-M932 HydrophobicContact CD1-CE 4.28Å; L734-M932 HydrophobicContact CD2-CE 3.54Å; P929-M932 PolarHBondContact O-N 2.88Å; N930-M932 PolarHBondContact O-N 3.37Å; M932-T935 WeakPolarHBondContact CA-OG1 3.5Å; M932-T935 PolarHBondContact O-N 2.79Å; M932-T935 PolarHBondContact O-OG1 3.46Å; M932-T935 VanDerWaalsContact O-OG1 3.14Å; M932-L936 VanDerWaalsContact O-CG 3.28Å; M932-L936 WeakPolarHBondContact O-CG 3.19Å; M932-L936 PolarHBondContact O-N 2.84Å; M932-I972 HydrophobicContact SD-CG2 4.36Å; M932-L975 HydrophobicContact CE-CD2 4.09Å; M932-L975 HydrophobicContact SD-CD2 3.69Å
933	I	56.2	Low	49.1	Very low	17 Å²	17	68.4 Å²	68.4	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-66	-44.3	176.1	-64.1	163.4	0	0	0	110.6	I787 F790 N791 P929 N930 L936 L937	I787-I933 HydrophobicContact CD1-CG2 4.25Å; I787-I933 HydrophobicContact CG2-CD1 4.17Å; I787-I933 HydrophobicContact CG2-CG1 4.43Å; I787-I933 HydrophobicContact CG2-CG2 4Å; F790-I933 HydrophobicContact CD1-CD1 4.15Å; F790-I933 HydrophobicContact CE1-CD1 4.26Å; N791-I933 WeakPolarHBondContact OD1-CD1 3.35Å; P929-I933 WeakPolarHBondContact O-CG1 3.14Å; P929-I933 PolarHBondContact O-N 2.95Å; N930-I933 PolarHBondContact O-N 2.72Å; I933-L936 PolarHBondContact O-N 2.96Å; I933-L937 HydrophobicContact CG2-CD1 3.77Å; I933-L937 HydrophobicContact CG2-CG 4.28Å; I933-L937 WeakPolarHBondContact O-CB 3.31Å; I933-L937 VanDerWaalsContact O-CG 3.28Å; I933-L937 WeakPolarHBondContact O-CG 3.33Å; I933-L937 PolarHBondContact O-N 3.08Å
934	E	54.9	Low	49.6	Very low	127 Å²	127	69.6 Å²	69.6	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-38.4	175.7	-76.4	179.2	-173.5	0	0	112.6	N930 L937 S938	N930-E934 WeakPolarHBondContact O-CB 3.38Å; N930-E934 WeakPolarHBondContact O-CG 3.25Å; N930-E934 PolarHBondContact O-N 3.42Å; E934-L937 PolarHBondContact O-N 2.74Å; E934-S938 VanDerWaalsContact O-CB 3.27Å; E934-S938 WeakPolarHBondContact O-CB 3.38Å; E934-S938 PolarHBondContact O-N 2.98Å; E934-S938 PolarHBondContact O-OG 3.3Å
935	T	55.3	Low	49.7	Very low	30 Å²	30	72.1 Å²	72.1	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-36.3	174.2	43.5	0	0	0	0	112.5	Y931 M932 S938 I939	Y931-T935 HydrophobicContact CE1-CG2 4.27Å; Y931-T935 WeakPolarHBondContact O-CB 3.37Å; Y931-T935 WeakPolarHBondContact O-CG2 3.22Å; Y931-T935 PolarHBondContact O-N 3.18Å; Y931-T935 PolarHBondContact O-OG1 3.22Å; M932-T935 WeakPolarHBondContact CA-OG1 3.5Å; M932-T935 PolarHBondContact O-N 2.79Å; M932-T935 PolarHBondContact O-OG1 3.46Å; M932-T935 VanDerWaalsContact O-OG1 3.14Å; T935-S938 WeakPolarHBondContact CA-OG 3.27Å; T935-S938 PolarHBondContact O-OG 3.46Å; T935-I939 WeakPolarHBondContact O-CD1 3.44Å; T935-I939 VanDerWaalsContact O-CG1 3.26Å; T935-I939 WeakPolarHBondContact O-CG1 3.3Å; T935-I939 PolarHBondContact O-N 3.42Å
936	L	55.3	Low	49.7	Very low	9 Å²	9	70.5 Å²	70.5	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-69.3	-44.2	171.4	-66.6	166.7	0	0	0	112.4	L737 T741 M932 I933 S938 I939 I940 L969 I972	L737-L936 HydrophobicContact CD2-CD1 4.2Å; T741-L936 HydrophobicContact CG2-CD2 4.05Å; M932-L936 VanDerWaalsContact O-CG 3.28Å; M932-L936 WeakPolarHBondContact O-CG 3.19Å; M932-L936 PolarHBondContact O-N 2.84Å; I933-L936 PolarHBondContact O-N 2.96Å; L936-S938 VanDerWaalsContact C-N 3.31Å; L936-S938 PolarHBondContact O-N 3.28Å; L936-I939 PolarHBondContact O-N 2.99Å; L936-I940 WeakPolarHBondContact O-CG1 3.46Å; L936-I940 PolarHBondContact O-N 3.37Å; L936-L969 HydrophobicContact CD2-CD1 4.37Å; L936-I972 HydrophobicContact CD2-CD1 3.72Å; L936-I972 HydrophobicContact CG-CD1 3.85Å
937	L	57.4	Low	49.6	Very low	64 Å²	64	75.3 Å²	75.3	34%	0.335	39%	0.388	S	S	.	.	H	α-helix	trans	-65.6	-31.2	177.8	-73.6	173.2	0	0	0	112.8	I787 I933 E934 I940 H941	I787-L937 HydrophobicContact CD1-CD2 4.16Å; I787-L937 HydrophobicContact CD1-CG 4.48Å; I933-L937 HydrophobicContact CG2-CD1 3.77Å; I933-L937 HydrophobicContact CG2-CG 4.28Å; I933-L937 WeakPolarHBondContact O-CB 3.31Å; I933-L937 VanDerWaalsContact O-CG 3.28Å; I933-L937 WeakPolarHBondContact O-CG 3.33Å; I933-L937 PolarHBondContact O-N 3.08Å; E934-L937 PolarHBondContact O-N 2.74Å; L937-I940 PolarHBondContact O-N 3.22Å; L937-H941 WeakPolarHBondContact O-CB 3.48Å; L937-H941 PolarHBondContact O-N 3.28Å; L937-H941 PolarHBondContact O-ND1 2.83Å
938	S	57.7	Low	49.2	Very low	55 Å²	55	75.3 Å²	75.3	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-76.3	-30.6	175.8	55.3	0	0	0	0	113.6	E934 T935 L936 I940 H941 S942	E934-S938 VanDerWaalsContact O-CB 3.27Å; E934-S938 WeakPolarHBondContact O-CB 3.38Å; E934-S938 PolarHBondContact O-N 2.98Å; E934-S938 PolarHBondContact O-OG 3.3Å; T935-S938 WeakPolarHBondContact CA-OG 3.27Å; T935-S938 PolarHBondContact O-OG 3.46Å; L936-S938 VanDerWaalsContact C-N 3.31Å; L936-S938 PolarHBondContact O-N 3.28Å; S938-I940 PolarHBondContact O-N 2.82Å; S938-H941 PolarHBondContact O-N 3.29Å; S938-S942 WeakPolarHBondContact O-CB 3.44Å; S938-S942 PolarHBondContact O-N 3.4Å; S938-S942 PolarHBondContact O-OG 3.04Å
939	I	54.5	Low	48.5	Very low	18 Å²	18	76.9 Å²	76.9	9%	0.092	40%	0.398	C	S	.	.	H	α-helix	trans	-59.7	-37.5	167.1	-69.2	160	0	0	0	110.4	T935 L936 S942 H965	T935-I939 WeakPolarHBondContact O-CD1 3.44Å; T935-I939 VanDerWaalsContact O-CG1 3.26Å; T935-I939 WeakPolarHBondContact O-CG1 3.3Å; T935-I939 PolarHBondContact O-N 3.42Å; L936-I939 PolarHBondContact O-N 2.99Å; I939-S942 PolarHBondContact O-OG 3.21Å; I939-S942 VanDerWaalsContact O-OG 3.08Å; I939-H965 HydrophobicContact CG1-CB 4.15Å; I939-H965 VanDerWaalsContact CG1-ND1 3.33Å; I939-H965 WeakPolarHBondContact CG1-ND1 3.4Å
940	I	52.7	Low	47.5	Very low	12 Å²	12	84.3 Å²	84.3	6%	0.062	43%	0.432	C	S	.	.	H	α-helix	trans	-81.6	-34.9	-178.8	-63.6	167.6	0	0	0	112	T741 F779 L783 L936 L937 S938 N944	T741-I940 HydrophobicContact CG2-CD1 4.26Å; F779-I940 HydrophobicContact CE1-CD1 4.19Å; F779-I940 HydrophobicContact CZ-CD1 4.44Å; L783-I940 HydrophobicContact CD2-CD1 3.34Å; L936-I940 WeakPolarHBondContact O-CG1 3.46Å; L936-I940 PolarHBondContact O-N 3.37Å; L937-I940 PolarHBondContact O-N 3.22Å; S938-I940 PolarHBondContact O-N 2.82Å; I940-N944 PolarHBondContact O-ND2 3.43Å
941	H	50.1	Low	46.5	Very low	121 Å²	121	87.3 Å²	87.3	56%	0.56	44%	0.443	S	S	*	.	H	α-helix	trans	-75.7	-28.3	176.8	-84.4	81	0	0	0	114.1	L937 S938 N944 K945	L937-H941 WeakPolarHBondContact O-CB 3.48Å; L937-H941 PolarHBondContact O-N 3.28Å; L937-H941 PolarHBondContact O-ND1 2.83Å; S938-H941 PolarHBondContact O-N 3.29Å; H941-N944 PolarHBondContact O-N 2.9Å; H941-K945 PolarHBondContact O-N 3.29Å
942	S	52.3	Low	45.4	Very low	41 Å²	41	88 Å²	88	29%	0.287	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-44.3	177.9	62.5	0	0	0	0	111.6	S938 I939 N944 K945 H965	S938-S942 WeakPolarHBondContact O-CB 3.44Å; S938-S942 PolarHBondContact O-N 3.4Å; S938-S942 PolarHBondContact O-OG 3.04Å; I939-S942 PolarHBondContact O-OG 3.21Å; I939-S942 VanDerWaalsContact O-OG 3.08Å; S942-N944 VanDerWaalsContact C-N 3.27Å; S942-N944 PolarHBondContact O-N 3.17Å; S942-K945 PolarHBondContact O-N 3.46Å; S942-K945 VanDerWaalsContact O-N 3.11Å; S942-H965 VanDerWaalsContact CB-NE2 3.26Å; S942-H965 WeakPolarHBondContact CB-NE2 3.41Å; S942-H965 PolarHBondContact OG-CE1 2.9Å; S942-H965 PolarHBondContact OG-NE2 2.94Å
943	H	48.8	Very low	44.2	Very low	69 Å²	69	92.9 Å²	92.9	32%	0.319	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-31.6	173.6	-92	-91.5	0	0	0	113.3	K945 S946	H943-K945 VanDerWaalsContact C-N 3.33Å; H943-S946 PolarHBondContact O-OG 2.81Å
944	N	43.4	Very low	43	Very low	79 Å²	79	97.8 Å²	97.8	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-78.2	-10.9	176	-88.7	-87.3	0	0	0	114.1	I940 H941 S942	I940-N944 PolarHBondContact O-ND2 3.43Å; H941-N944 PolarHBondContact O-N 2.9Å; S942-N944 VanDerWaalsContact C-N 3.27Å; S942-N944 PolarHBondContact O-N 3.17Å
945	K	38.6	Very low	41.7	Very low	174 Å²	174	98.8 Å²	98.8	76%	0.757	53%	0.53	S	S	*	.	H	α-helix	trans	-101.5	-10.4	-178.8	-98.8	-176.1	174.3	-179.8	0	115.4	H941 S942 H943 N947	H941-K945 PolarHBondContact O-N 3.29Å; S942-K945 PolarHBondContact O-N 3.46Å; S942-K945 VanDerWaalsContact O-N 3.11Å; H943-K945 VanDerWaalsContact C-N 3.33Å; K945-N947 VanDerWaalsContact C-N 3.27Å; K945-N947 PolarHBondContact O-N 2.92Å
946	S	38.9	Very low	40.7	Very low	94 Å²	94	102.7 Å²	102.7	66%	0.657	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	11.5	-176	60	0	0	0	0	115.7	H943	H943-S946 PolarHBondContact O-OG 2.81Å
947	N	34.2	Very low	39.7	Very low	156 Å²	156	106.5 Å²	106.5	83%	0.834	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	6.8	-179.8	-95.2	-0.4	0	0	0	114.3	K945	K945-N947 VanDerWaalsContact C-N 3.27Å; K945-N947 PolarHBondContact O-N 2.92Å
948	I	31.1	Very low	38.8	Very low	139 Å²	139	107.7 Å²	107.7	71%	0.713	59%	0.588	S	S	*	*	S	Bend	trans	-130	128.1	178.9	-60.6	-179.2	0	0	0	110.7
949	N	31.2	Very low	37.9	Very low	159 Å²	159	111.3 Å²	111.3	85%	0.85	60%	0.601	S	S	*	*			trans	76.5	147.1	178.4	-60.8	-16.5	0	0	0	117.6
950	Q	28.3	Very low	37.4	Very low	171 Å²	171	115.2 Å²	115.2	80%	0.799	62%	0.623	S	S	*	*			trans	-128.8	173.6	-163.2	-63.6	170.2	-39.8	0	0	111.8
951	H	28.9	Very low	36.8	Very low	165 Å²	165	119.2 Å²	119.2	76%	0.764	64%	0.644	S	S	*	*			trans	79.9	154.5	163.1	-71.9	-78.3	0	0	0	120.3
952	T	30.4	Very low	36.6	Very low	126 Å²	126	121.2 Å²	121.2	77%	0.773	65%	0.647	S	S	*	*			trans	66.2	86.4	173.5	48	0	0	0	0	119.2
953	T	28.1	Very low	36.4	Very low	124 Å²	124	125.7 Å²	125.7	76%	0.761	66%	0.661	S	S	*	*				49.6	89.6	127.7	55.6	0	0	0	0	119.9
954	T	31.6	Very low	36.2	Very low	120 Å²	120	127 Å²	127	74%	0.736	67%	0.67	S	S	*	*				-179.3	93.4	117	24.6	0	0	0	0	110.8	T956	T954-T956 PolarHBondContact O-N 3.41Å
955	N	27.4	Very low	36.5	Very low	149 Å²	149	124.7 Å²	124.7	80%	0.797	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	80.5	-173	-78.1	-7.6	0	0	0	113.6
956	T	32.9	Very low	37.3	Very low	111 Å²	111	121.9 Å²	121.9	68%	0.681	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	-26.9	159.3	50.9	0	0	0	0	113	T954 T958	T954-T956 PolarHBondContact O-N 3.41Å; T956-T958 PolarHBondContact O-N 3.21Å
957	T	35.3	Very low	37.9	Very low	89 Å²	89	118.9 Å²	118.9	55%	0.546	62%	0.622	S	S	.	*	H	α-helix	trans	-79.6	-12.3	-172.1	52.7	0	0	0	0	115.5
958	T	38.3	Very low	38.7	Very low	89 Å²	89	112.7 Å²	112.7	55%	0.546	59%	0.591	S	S	.	*	H	α-helix	trans	-79.1	-24.8	-177	49.4	0	0	0	0	113.8	T956	T956-T958 PolarHBondContact O-N 3.21Å
959	I	39.5	Very low	40	Very low	131 Å²	131	106.6 Å²	106.6	67%	0.672	56%	0.56	S	S	*	*	H	α-helix	trans	-73.3	-41.6	174.5	-62.4	176.9	0	0	0	110.1	N961 R962 F963	I959-N961 VanDerWaalsContact C-N 3.34Å; I959-N961 PolarHBondContact O-N 3.22Å; I959-R962 PolarHBondContact O-N 3.45Å; I959-F963 PolarHBondContact O-N 3.25Å; I959-F963 VanDerWaalsContact O-N 3.15Å
960	D	43	Very low	41.1	Very low	101 Å²	101	103.4 Å²	103.4	54%	0.54	54%	0.542	S	S	.	.	H	α-helix	trans	-56.6	-42.9	-178.6	-100.8	-29.3	0	0	0	112.5	R962 F963 L964	D960-R962 PolarHBondContact O-N 2.8Å; D960-F963 CarbonylContact O-C 3.32Å; D960-F963 PolarHBondContact O-N 3.01Å; D960-L964 VanDerWaalsContact O-CB 3.28Å; D960-L964 WeakPolarHBondContact O-CB 3.23Å; D960-L964 PolarHBondContact O-N 2.95Å
961	N	41.2	Very low	42.1	Very low	95 Å²	95	102.4 Å²	102.4	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-40.2	-177.6	-78	-35.1	0	0	0	113.3	I959 L964 H965	I959-N961 VanDerWaalsContact C-N 3.34Å; I959-N961 PolarHBondContact O-N 3.22Å; N961-L964 PolarHBondContact O-N 2.77Å; N961-H965 WeakPolarHBondContact O-CB 3.41Å; N961-H965 PolarHBondContact O-CD2 2.8Å; N961-H965 PolarHBondContact O-N 2.96Å
962	R	46.2	Very low	43.4	Very low	164 Å²	164	95.2 Å²	95.2	62%	0.619	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-40.9	173.2	-73.6	-170.1	-175.7	-179.8	2.8	111.3	I959 D960 K966	I959-R962 PolarHBondContact O-N 3.45Å; D960-R962 PolarHBondContact O-N 2.8Å; R962-K966 WeakPolarHBondContact O-CB 3.31Å; R962-K966 PolarHBondContact O-N 3.39Å
963	F	46.9	Very low	44.6	Very low	135 Å²	135	92.6 Å²	92.6	59%	0.592	48%	0.476	S	S	*	.	H	α-helix	trans	-63	-42.2	175.7	-169.3	-104.8	0	0	0	111.5	I959 D960 K966 V967	I959-F963 PolarHBondContact O-N 3.25Å; I959-F963 VanDerWaalsContact O-N 3.15Å; D960-F963 CarbonylContact O-C 3.32Å; D960-F963 PolarHBondContact O-N 3.01Å; F963-K966 PolarHBondContact O-N 2.97Å; F963-V967 HydrophobicContact CD1-CG2 4.02Å; F963-V967 HydrophobicContact CE1-CG2 3.78Å; F963-V967 HydrophobicContact CE2-CG2 4.46Å; F963-V967 HydrophobicContact CG-CG2 4.46Å; F963-V967 HydrophobicContact CZ-CG2 4.02Å; F963-V967 VanDerWaalsContact O-CB 3.24Å; F963-V967 WeakPolarHBondContact O-CB 3.39Å; F963-V967 WeakPolarHBondContact O-CG2 3.16Å; F963-V967 PolarHBondContact O-N 2.87Å
964	L	45.9	Very low	45.7	Very low	95 Å²	95	96 Å²	96	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-69.7	-37.4	-179.4	-151	75.8	0	0	0	112.4	D960 N961 S968	D960-L964 VanDerWaalsContact O-CB 3.28Å; D960-L964 WeakPolarHBondContact O-CB 3.23Å; D960-L964 PolarHBondContact O-N 2.95Å; N961-L964 PolarHBondContact O-N 2.77Å; L964-S968 VanDerWaalsContact O-CB 3.25Å; L964-S968 WeakPolarHBondContact O-CB 3.2Å; L964-S968 PolarHBondContact O-N 3.17Å; L964-S968 PolarHBondContact O-OG 2.79Å
965	H	49.5	Very low	46.6	Very low	31 Å²	31	91.5 Å²	91.5	14%	0.144	45%	0.446	C	S	.	.	H	α-helix	trans	-65	-47.9	171.3	-71.4	-49.8	0	0	0	111.2	I939 S942 N961 V967 S968 L969	I939-H965 HydrophobicContact CG1-CB 4.15Å; I939-H965 VanDerWaalsContact CG1-ND1 3.33Å; I939-H965 WeakPolarHBondContact CG1-ND1 3.4Å; S942-H965 VanDerWaalsContact CB-NE2 3.26Å; S942-H965 WeakPolarHBondContact CB-NE2 3.41Å; S942-H965 PolarHBondContact OG-CE1 2.9Å; S942-H965 PolarHBondContact OG-NE2 2.94Å; N961-H965 WeakPolarHBondContact O-CB 3.41Å; N961-H965 PolarHBondContact O-CD2 2.8Å; N961-H965 PolarHBondContact O-N 2.96Å; H965-V967 PolarHBondContact O-N 3.26Å; H965-S968 CarbonylContact O-C 3.33Å; H965-S968 WeakPolarHBondContact O-CA 3.43Å; H965-S968 WeakPolarHBondContact O-CB 3.27Å; H965-S968 PolarHBondContact O-N 3.26Å; H965-L969 PolarHBondContact O-N 2.92Å
966	K	54	Low	48	Very low	115 Å²	115	85 Å²	85	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-39.8	177.8	-160.2	161.5	-168.4	161.8	0	112.3	R962 F963 S968 L969 L970	R962-K966 WeakPolarHBondContact O-CB 3.31Å; R962-K966 PolarHBondContact O-N 3.39Å; F963-K966 PolarHBondContact O-N 2.97Å; K966-S968 VanDerWaalsContact C-N 3.33Å; K966-S968 PolarHBondContact O-N 3.2Å; K966-L969 PolarHBondContact O-N 2.83Å; K966-L970 WeakPolarHBondContact O-CB 3.22Å; K966-L970 WeakPolarHBondContact O-CD1 3.28Å; K966-L970 WeakPolarHBondContact O-CG 3.43Å; K966-L970 PolarHBondContact O-N 3.01Å
967	V	51.6	Low	49.1	Very low	31 Å²	31	83.8 Å²	83.8	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-33.7	171.6	165.5	0	0	0	0	112	F963 H965 R971	F963-V967 HydrophobicContact CD1-CG2 4.02Å; F963-V967 HydrophobicContact CE1-CG2 3.78Å; F963-V967 HydrophobicContact CE2-CG2 4.46Å; F963-V967 HydrophobicContact CG-CG2 4.46Å; F963-V967 HydrophobicContact CZ-CG2 4.02Å; F963-V967 VanDerWaalsContact O-CB 3.24Å; F963-V967 WeakPolarHBondContact O-CB 3.39Å; F963-V967 WeakPolarHBondContact O-CG2 3.16Å; F963-V967 PolarHBondContact O-N 2.87Å; H965-V967 PolarHBondContact O-N 3.26Å; V967-R971 WeakPolarHBondContact O-CB 3.11Å; V967-R971 WeakPolarHBondContact O-CD 3.49Å; V967-R971 WeakPolarHBondContact O-CG 3.36Å; V967-R971 PolarHBondContact O-N 3.38Å
968	S	51.6	Low	49.6	Very low	27 Å²	27	80.8 Å²	80.8	19%	0.189	39%	0.388	C	S	.	.	H	α-helix	trans	-72.9	-42.8	176.4	-61.6	0	0	0	0	111.7	L964 H965 K966 R971 I972	L964-S968 VanDerWaalsContact O-CB 3.25Å; L964-S968 WeakPolarHBondContact O-CB 3.2Å; L964-S968 PolarHBondContact O-N 3.17Å; L964-S968 PolarHBondContact O-OG 2.79Å; H965-S968 CarbonylContact O-C 3.33Å; H965-S968 WeakPolarHBondContact O-CA 3.43Å; H965-S968 WeakPolarHBondContact O-CB 3.27Å; H965-S968 PolarHBondContact O-N 3.26Å; K966-S968 VanDerWaalsContact C-N 3.33Å; K966-S968 PolarHBondContact O-N 3.2Å; S968-R971 WeakPolarHBondContact O-CB 3.43Å; S968-R971 PolarHBondContact O-N 3.34Å; S968-R971 VanDerWaalsContact O-N 3.13Å; S968-I972 WeakPolarHBondContact O-CG1 3.45Å; S968-I972 PolarHBondContact O-N 2.76Å
969	L	57.7	Low	50.3	Low	10 Å²	10	79 Å²	79	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-47	172.2	-164.5	70.5	0	0	0	110.9	E742 L936 H965 K966 R971 I972 K973	E742-L969 HydrophobicContact CG-CD2 4.02Å; L936-L969 HydrophobicContact CD2-CD1 4.37Å; H965-L969 PolarHBondContact O-N 2.92Å; K966-L969 PolarHBondContact O-N 2.83Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 2.56Å; L969-I972 PolarHBondContact O-N 2.77Å; L969-K973 WeakPolarHBondContact O-CB 3.34Å; L969-K973 PolarHBondContact O-N 3.08Å
970	L	54.8	Low	51	Low	93 Å²	93	74.5 Å²	74.5	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-34.3	173.2	-75	167.5	0	0	0	113.2	K966 R974	K966-L970 WeakPolarHBondContact O-CB 3.22Å; K966-L970 WeakPolarHBondContact O-CD1 3.28Å; K966-L970 WeakPolarHBondContact O-CG 3.43Å; K966-L970 PolarHBondContact O-N 3.01Å; L970-R974 WeakPolarHBondContact O-CB 3.32Å; L970-R974 VanDerWaalsContact O-CG 3.3Å; L970-R974 WeakPolarHBondContact O-CG 3.39Å; L970-R974 PolarHBondContact O-N 2.71Å
971	R	49.1	Very low	51.3	Low	150 Å²	150	73.9 Å²	73.9	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-69.2	-42.6	174.2	-79.1	164.8	179	178.6	2.6	111.7	V967 S968 L969 R974 L975	V967-R971 WeakPolarHBondContact O-CB 3.11Å; V967-R971 WeakPolarHBondContact O-CD 3.49Å; V967-R971 WeakPolarHBondContact O-CG 3.36Å; V967-R971 PolarHBondContact O-N 3.38Å; S968-R971 WeakPolarHBondContact O-CB 3.43Å; S968-R971 PolarHBondContact O-N 3.34Å; S968-R971 VanDerWaalsContact O-N 3.13Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 2.56Å; R971-R974 PolarHBondContact O-N 2.66Å; R971-L975 WeakPolarHBondContact O-CB 3.3Å; R971-L975 PolarHBondContact O-N 3.16Å
972	I	55.8	Low	51.4	Low	14 Å²	14	71.4 Å²	71.4	7%	0.072	33%	0.334	C	S	.	.	H	α-helix	trans	-66.9	-43.3	176.4	-63.7	170.6	0	0	0	110	V738 M932 L936 S968 L969 R974 L975 S976	V738-I972 HydrophobicContact CG2-CG2 3.73Å; M932-I972 HydrophobicContact SD-CG2 4.36Å; L936-I972 HydrophobicContact CD2-CD1 3.72Å; L936-I972 HydrophobicContact CG-CD1 3.85Å; S968-I972 WeakPolarHBondContact O-CG1 3.45Å; S968-I972 PolarHBondContact O-N 2.76Å; L969-I972 PolarHBondContact O-N 2.77Å; I972-R974 PolarHBondContact O-N 2.88Å; I972-L975 CarbonylContact O-C 3.39Å; I972-L975 WeakPolarHBondContact O-CA 3.49Å; I972-L975 WeakPolarHBondContact O-CB 3.4Å; I972-L975 PolarHBondContact O-N 3.5Å; I972-S976 PolarHBondContact O-N 2.81Å; I972-S976 PolarHBondContact O-OG 2.63Å
973	K	55.6	Low	51.6	Low	71 Å²	71	63.8 Å²	63.8	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-42.4	173.8	-166.2	175.7	-156.3	158.6	0	112.5	V738 E742 L969 L975 S976 I977	V738-K973 HydrophobicContact CG1-CB 4.31Å; V738-K973 HydrophobicContact CG1-CG 4.31Å; E742-K973 VanDerWaalsContact OE1-CD 3.27Å; E742-K973 WeakPolarHBondContact OE1-CD 3.42Å; E742-K973 WeakPolarHBondContact OE1-CE 3.38Å; E742-K973 IonicContact OE1-NZ 3.46Å; E742-K973 PolarHBondContact OE1-NZ 3.3Å; E742-K973 IonicContact OE2-NZ 3.28Å; E742-K973 PolarHBondContact OE2-NZ 2.8Å; L969-K973 WeakPolarHBondContact O-CB 3.34Å; L969-K973 PolarHBondContact O-N 3.08Å; K973-L975 VanDerWaalsContact C-N 3.25Å; K973-L975 PolarHBondContact O-N 3.33Å; K973-S976 PolarHBondContact O-N 2.67Å; K973-S976 PolarHBondContact O-OG 2.96Å; K973-S976 VanDerWaalsContact O-OG 3.07Å; K973-I977 HydrophobicContact CG-CD1 3.92Å; K973-I977 VanDerWaalsContact O-CB 3.31Å; K973-I977 WeakPolarHBondContact O-CB 3.24Å; K973-I977 WeakPolarHBondContact O-CD1 3.36Å; K973-I977 WeakPolarHBondContact O-CG1 3.5Å; K973-I977 PolarHBondContact O-N 3.35Å
974	R	51.3	Low	51.6	Low	194 Å²	194	60.5 Å²	60.5	73%	0.732	30%	0.295	S	S	*	.	H	α-helix	trans	-64.3	-28.7	171.4	-78.6	177.6	173.3	-173.1	-2.1	112.6	L970 R971 I972 G978	L970-R974 WeakPolarHBondContact O-CB 3.32Å; L970-R974 VanDerWaalsContact O-CG 3.3Å; L970-R974 WeakPolarHBondContact O-CG 3.39Å; L970-R974 PolarHBondContact O-N 2.71Å; R971-R974 PolarHBondContact O-N 2.66Å; I972-R974 PolarHBondContact O-N 2.88Å; R974-G978 WeakPolarHBondContact O-CA 3.24Å; R974-G978 PolarHBondContact O-N 3.48Å
975	L	52	Low	51.3	Low	26 Å²	26	58.4 Å²	58.4	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-78.7	-39	177.9	-149.8	114.1	0	0	0	112.3	N922 L926 M932 R971 I972 K973 G978 W979	N922-L975 HydrophobicContact CB-CD1 4.18Å; L926-L975 HydrophobicContact CD2-CD2 3.63Å; L926-L975 HydrophobicContact CG-CD2 4.05Å; M932-L975 HydrophobicContact CE-CD2 4.09Å; M932-L975 HydrophobicContact SD-CD2 3.69Å; R971-L975 WeakPolarHBondContact O-CB 3.3Å; R971-L975 PolarHBondContact O-N 3.16Å; I972-L975 CarbonylContact O-C 3.39Å; I972-L975 WeakPolarHBondContact O-CA 3.49Å; I972-L975 WeakPolarHBondContact O-CB 3.4Å; I972-L975 PolarHBondContact O-N 3.5Å; K973-L975 VanDerWaalsContact C-N 3.25Å; K973-L975 PolarHBondContact O-N 3.33Å; L975-G978 PolarHBondContact O-N 3.43Å; L975-W979 WeakPolarHBondContact O-CB 3.34Å; L975-W979 PolarHBondContact O-N 3.34Å
976	S	56.6	Low	50.8	Low	13 Å²	13	61 Å²	61	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-45.8	173.1	61.9	0	0	0	0	111.7	I972 K973 G978 W979 M980	I972-S976 PolarHBondContact O-N 2.81Å; I972-S976 PolarHBondContact O-OG 2.63Å; K973-S976 PolarHBondContact O-N 2.67Å; K973-S976 PolarHBondContact O-OG 2.96Å; K973-S976 VanDerWaalsContact O-OG 3.07Å; S976-G978 VanDerWaalsContact C-N 3.27Å; S976-G978 PolarHBondContact O-N 3.4Å; S976-W979 PolarHBondContact O-N 3.48Å; S976-W979 VanDerWaalsContact O-N 3.16Å; S976-M980 WeakPolarHBondContact O-CB 3.24Å; S976-M980 WeakPolarHBondContact O-CG 3.36Å; S976-M980 PolarHBondContact O-N 2.93Å
977	I	54.7	Low	50.2	Low	85 Å²	85	60 Å²	60	44%	0.436	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-41.8	170.5	-68.1	168.7	0	0	0	110.4	K973 M980 N981	K973-I977 HydrophobicContact CG-CD1 3.92Å; K973-I977 VanDerWaalsContact O-CB 3.31Å; K973-I977 WeakPolarHBondContact O-CB 3.24Å; K973-I977 WeakPolarHBondContact O-CD1 3.36Å; K973-I977 WeakPolarHBondContact O-CG1 3.5Å; K973-I977 PolarHBondContact O-N 3.35Å; I977-M980 PolarHBondContact O-N 2.92Å; I977-N981 VanDerWaalsContact O-CB 3.29Å; I977-N981 WeakPolarHBondContact O-CB 3.23Å; I977-N981 VanDerWaalsContact O-CG 3.27Å; I977-N981 PolarHBondContact O-N 3.09Å; I977-N981 PolarHBondContact O-ND2 2.7Å
978	G	47.2	Very low	49.7	Very low	27 Å²	27	62 Å²	62	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-44.7	174.7	0	0	0	0	0	113.1	R974 L975 S976 C982	R974-G978 WeakPolarHBondContact O-CA 3.24Å; R974-G978 PolarHBondContact O-N 3.48Å; L975-G978 PolarHBondContact O-N 3.43Å; S976-G978 VanDerWaalsContact C-N 3.27Å; S976-G978 PolarHBondContact O-N 3.4Å; G978-C982 PolarHBondContact O-N 2.69Å; G978-C982 PolarHBondContact O-SG 3.06Å
979	W	53	Low	49	Very low	51 Å²	51	63 Å²	63	19%	0.193	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-49.7	175.1	-174.2	-84	0	0	0	111.4	M727 I730 L926 L975 S976 N981 C982 L983	M727-W979 HydrophobicContact CB-CZ2 4.2Å; M727-W979 HydrophobicContact CE-CH2 4.11Å; M727-W979 HydrophobicContact CE-CZ2 3.87Å; M727-W979 HydrophobicContact CG-CZ2 4.21Å; M727-W979 PolarHBondContact O-NE1 3.33Å; I730-W979 HydrophobicContact CG2-CZ2 4.08Å; L926-W979 HydrophobicContact CD1-CE3 3.93Å; L926-W979 HydrophobicContact CD1-CZ3 3.95Å; L926-W979 HydrophobicContact CD2-CE3 3.73Å; L926-W979 HydrophobicContact CD2-CZ3 3.8Å; L926-W979 HydrophobicContact CG-CE3 4.47Å; L926-W979 HydrophobicContact CG-CZ3 4.36Å; L975-W979 WeakPolarHBondContact O-CB 3.34Å; L975-W979 PolarHBondContact O-N 3.34Å; S976-W979 PolarHBondContact O-N 3.48Å; S976-W979 VanDerWaalsContact O-N 3.16Å; W979-N981 VanDerWaalsContact C-N 3.3Å; W979-N981 PolarHBondContact O-N 2.98Å; W979-C982 WeakPolarHBondContact O-CB 3.33Å; W979-C982 PolarHBondContact O-N 2.95Å; W979-C982 VanDerWaalsContact O-N 3.11Å; W979-L983 VanDerWaalsContact O-CB 3.31Å; W979-L983 WeakPolarHBondContact O-CB 3.47Å; W979-L983 PolarHBondContact O-N 3.5Å
980	M	54.5	Low	47.8	Very low	37 Å²	37	67.6 Å²	67.6	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-30.2	179.8	-66.6	-61	-81.9	0	0	112.8	S976 I977 L983 N984	S976-M980 WeakPolarHBondContact O-CB 3.24Å; S976-M980 WeakPolarHBondContact O-CG 3.36Å; S976-M980 PolarHBondContact O-N 2.93Å; I977-M980 PolarHBondContact O-N 2.92Å; M980-L983 HydrophobicContact CE-CD2 4.24Å; M980-L983 HydrophobicContact SD-CD2 3.6Å; M980-N984 WeakPolarHBondContact O-CB 3.15Å; M980-N984 PolarHBondContact O-N 3.41Å; M980-N984 PolarHBondContact O-ND2 3.27Å
981	N	49.1	Very low	46.7	Very low	88 Å²	88	69.3 Å²	69.3	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-73.1	-38.8	171	-75.5	-16.1	0	0	0	112.2	I977 W979 L983 L985	I977-N981 VanDerWaalsContact O-CB 3.29Å; I977-N981 WeakPolarHBondContact O-CB 3.23Å; I977-N981 VanDerWaalsContact O-CG 3.27Å; I977-N981 PolarHBondContact O-N 3.09Å; I977-N981 PolarHBondContact O-ND2 2.7Å; W979-N981 VanDerWaalsContact C-N 3.3Å; W979-N981 PolarHBondContact O-N 2.98Å; N981-L983 VanDerWaalsContact C-N 3.29Å; N981-L983 PolarHBondContact O-N 2.8Å; N981-L985 WeakPolarHBondContact O-CB 3.46Å; N981-L985 VanDerWaalsContact O-CG 3.28Å; N981-L985 WeakPolarHBondContact O-CG 3.32Å; N981-L985 PolarHBondContact O-N 3.39Å
982	C	43	Very low	45.8	Very low	42 Å²	42	69.1 Å²	69.1	28%	0.284	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-36.8	171.9	-64.5	0	0	0	0	112	R919 G978 W979 L985 L986	R919-C982 PolarHBondContact NH2-SG 2.84Å; G978-C982 PolarHBondContact O-N 2.69Å; G978-C982 PolarHBondContact O-SG 3.06Å; W979-C982 WeakPolarHBondContact O-CB 3.33Å; W979-C982 PolarHBondContact O-N 2.95Å; W979-C982 VanDerWaalsContact O-N 3.11Å; C982-L985 PolarHBondContact O-N 3.48Å; C982-L986 WeakPolarHBondContact O-CG 3.26Å; C982-L986 PolarHBondContact O-N 2.94Å
983	L	48.9	Very low	44.6	Very low	5 Å²	5	76.8 Å²	76.8	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-69.7	-47.6	178.1	-174.2	76	0	0	0	112	M727 V728 W979 M980 N981 L985 L986 Q987	M727-L983 HydrophobicContact CB-CD1 3.79Å; V728-L983 HydrophobicContact CB-CD1 4.5Å; V728-L983 HydrophobicContact CB-CD2 4.16Å; V728-L983 HydrophobicContact CG1-CD2 4.32Å; V728-L983 HydrophobicContact CG2-CD1 3.84Å; V728-L983 HydrophobicContact CG2-CD2 3.93Å; V728-L983 HydrophobicContact CG2-CG 4.15Å; W979-L983 VanDerWaalsContact O-CB 3.31Å; W979-L983 WeakPolarHBondContact O-CB 3.47Å; W979-L983 PolarHBondContact O-N 3.5Å; M980-L983 HydrophobicContact CE-CD2 4.24Å; M980-L983 HydrophobicContact SD-CD2 3.6Å; N981-L983 VanDerWaalsContact C-N 3.29Å; N981-L983 PolarHBondContact O-N 2.8Å; L983-L985 PolarHBondContact O-N 3.39Å; L983-L986 PolarHBondContact O-N 3.02Å; L983-L986 VanDerWaalsContact O-N 3.16Å; L983-Q987 PolarHBondContact O-N 3.02Å
984	N	46.8	Very low	43.6	Very low	66 Å²	66	79.3 Å²	79.3	35%	0.353	40%	0.398	S	S	.	.	H	α-helix	trans	-54.8	-38	170.3	-93.8	-63.1	0	0	0	111.5	M980 Q987 Q988	M980-N984 WeakPolarHBondContact O-CB 3.15Å; M980-N984 PolarHBondContact O-N 3.41Å; M980-N984 PolarHBondContact O-ND2 3.27Å; N984-Q987 PolarHBondContact O-N 2.8Å; N984-Q988 WeakPolarHBondContact O-CB 3.45Å; N984-Q988 VanDerWaalsContact O-CG 3.24Å; N984-Q988 WeakPolarHBondContact O-CG 3.09Å; N984-Q988 PolarHBondContact O-N 3.38Å
985	L	40.6	Very low	42.7	Very low	51 Å²	51	71.2 Å²	71.2	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-71.5	-36.3	177.3	-74.8	172.4	0	0	0	113.9	N981 C982 L983 Q987 Q988 G989 I999	N981-L985 WeakPolarHBondContact O-CB 3.46Å; N981-L985 VanDerWaalsContact O-CG 3.28Å; N981-L985 WeakPolarHBondContact O-CG 3.32Å; N981-L985 PolarHBondContact O-N 3.39Å; C982-L985 PolarHBondContact O-N 3.48Å; L983-L985 PolarHBondContact O-N 3.39Å; L985-Q987 VanDerWaalsContact C-N 3.25Å; L985-Q987 PolarHBondContact O-N 3.24Å; L985-Q988 PolarHBondContact O-N 3.39Å; L985-G989 PolarHBondContact O-N 2.83Å; L985-I999 HydrophobicContact CD1-CD1 3.95Å; L985-I999 HydrophobicContact CD1-CG1 3.83Å; L985-I999 HydrophobicContact CD2-CD1 3.69Å; L985-I999 HydrophobicContact CD2-CG1 3.37Å; L985-I999 HydrophobicContact CG-CD1 4.45Å; L985-I999 HydrophobicContact CG-CG1 4.25Å
986	L	39.9	Very low	41.8	Very low	85 Å²	85	71.8 Å²	71.8	45%	0.445	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-30.4	170.9	-74.1	165.8	0	0	0	112.2	I724 M727 C982 L983	I724-L986 HydrophobicContact CD1-CB 4.38Å; I724-L986 HydrophobicContact CG1-CB 4.37Å; M727-L986 HydrophobicContact CE-CD1 4.37Å; C982-L986 WeakPolarHBondContact O-CG 3.26Å; C982-L986 PolarHBondContact O-N 2.94Å; L983-L986 PolarHBondContact O-N 3.02Å; L983-L986 VanDerWaalsContact O-N 3.16Å
987	Q	41.1	Very low	40.7	Very low	95 Å²	95	74.7 Å²	74.7	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-76.6	-42.2	172.6	-69.5	179.9	-15.6	0	0	112.6	I724 L983 N984 L985 G989 Q990	I724-Q987 HydrophobicContact CG2-CG 4.12Å; L983-Q987 PolarHBondContact O-N 3.02Å; N984-Q987 PolarHBondContact O-N 2.8Å; L985-Q987 VanDerWaalsContact C-N 3.25Å; L985-Q987 PolarHBondContact O-N 3.24Å; Q987-G989 VanDerWaalsContact C-N 3.31Å; Q987-G989 PolarHBondContact O-N 3.17Å; Q987-Q990 PolarHBondContact O-N 3.09Å
988	Q	40	Very low	39.8	Very low	72 Å²	72	74.2 Å²	74.2	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-70	-26	178.8	-72.7	166.6	21.5	0	0	112.7	N984 L985 Q990 I991	N984-Q988 WeakPolarHBondContact O-CB 3.45Å; N984-Q988 VanDerWaalsContact O-CG 3.24Å; N984-Q988 WeakPolarHBondContact O-CG 3.09Å; N984-Q988 PolarHBondContact O-N 3.38Å; L985-Q988 PolarHBondContact O-N 3.39Å; Q988-Q990 PolarHBondContact O-N 3.2Å; Q988-I991 PolarHBondContact O-N 3.48Å; Q988-I991 VanDerWaalsContact O-N 3.16Å
989	G	36.8	Very low	39.3	Very low	48 Å²	48	75.9 Å²	75.9	50%	0.495	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-1.4	174.3	0	0	0	0	0	116.1	L985 Q987 I991	L985-G989 PolarHBondContact O-N 2.83Å; Q987-G989 VanDerWaalsContact C-N 3.31Å; Q987-G989 PolarHBondContact O-N 3.17Å; G989-I991 VanDerWaalsContact C-N 3.26Å
990	Q	33.6	Very low	38.6	Very low	107 Å²	107	76.5 Å²	76.5	50%	0.5	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.5	169.3	-66.1	-156.9	7.7	0	0	114.3	R717 N721 Q987 Q988	R717-Q990 VanDerWaalsContact NH2-OE1 3.08Å; N721-Q990 PolarHBondContact OD1-NE2 3.17Å; Q987-Q990 PolarHBondContact O-N 3.09Å; Q988-Q990 PolarHBondContact O-N 3.2Å
991	I	31.3	Very low	37.8	Very low	129 Å²	129	80.1 Å²	80.1	66%	0.662	42%	0.42	S	S	*	.	S	Bend	trans	-121.1	130.4	171.4	-55.2	179.8	0	0	0	108.6	Q988 G989	Q988-I991 PolarHBondContact O-N 3.48Å; Q988-I991 VanDerWaalsContact O-N 3.16Å; G989-I991 VanDerWaalsContact C-N 3.26Å
992	Q	30.1	Very low	37.4	Very low	145 Å²	145	81.2 Å²	81.2	68%	0.678	42%	0.421	S	S	*	.			trans	-73.4	153.4	-169.9	-75.6	179.2	-35.7	0	0	113.7	E994	Q992-E994 VanDerWaalsContact C-N 3.28Å; Q992-E994 PolarHBondContact O-N 2.88Å
993	F	31	Very low	37.1	Very low	175 Å²	175	83.7 Å²	83.7	77%	0.768	43%	0.431	S	S	*	.	S	Bend	trans	65.1	-34.6	164.9	-110.2	-92.4	0	0	0	119.7
994	E	34.3	Very low	36.8	Very low	124 Å²	124	84.1 Å²	84.1	58%	0.579	43%	0.433	S	S	*	.	S	Bend	trans	-87.3	-22	-172.7	-71.7	177.5	130.2	0	0	114.8	Q992 G996 N997 Q998	Q992-E994 VanDerWaalsContact C-N 3.28Å; Q992-E994 PolarHBondContact O-N 2.88Å; E994-G996 VanDerWaalsContact C-N 3.27Å; E994-G996 PolarHBondContact O-N 3.45Å; E994-N997 PolarHBondContact O-N 3.49Å; E994-N997 VanDerWaalsContact O-N 3.14Å; E994-Q998 PolarHBondContact O-N 2.89Å
995	A	31.3	Very low	36.6	Very low	24 Å²	24	85.8 Å²	85.8	20%	0.198	44%	0.441	C	S	.	.	H	α-helix	trans	-59.2	-35	-178.6	0	0	0	0	0	113.1	N997 Q998 I999	A995-N997 VanDerWaalsContact C-N 3.35Å; A995-N997 PolarHBondContact O-N 3.24Å; A995-Q998 PolarHBondContact O-N 3.25Å; A995-I999 WeakPolarHBondContact O-CD1 3.04Å; A995-I999 WeakPolarHBondContact O-CG1 3.45Å; A995-I999 PolarHBondContact O-N 3.38Å
996	G	32.9	Very low	36.8	Very low	39 Å²	39	88 Å²	88	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-59.5	-43.4	176.5	0	0	0	0	0	113	E994 I1000	E994-G996 VanDerWaalsContact C-N 3.27Å; E994-G996 PolarHBondContact O-N 3.45Å; G996-I1000 PolarHBondContact O-N 3.45Å
997	N	34.9	Very low	36.9	Very low	73 Å²	73	87.6 Å²	87.6	39%	0.39	46%	0.455	S	S	.	.	H	α-helix	trans	-75.2	-39.9	179.8	-61.4	-10.7	0	0	0	110.8	E994 A995 I999 I1000 E1001	E994-N997 PolarHBondContact O-N 3.49Å; E994-N997 VanDerWaalsContact O-N 3.14Å; A995-N997 VanDerWaalsContact C-N 3.35Å; A995-N997 PolarHBondContact O-N 3.24Å; N997-I999 VanDerWaalsContact C-N 3.3Å; N997-I999 PolarHBondContact O-N 2.99Å; N997-I1000 WeakPolarHBondContact O-CB 3.25Å; N997-I1000 PolarHBondContact O-N 3.4Å; N997-I1000 VanDerWaalsContact O-N 3.12Å; N997-E1001 WeakPolarHBondContact O-CB 3.21Å; N997-E1001 PolarHBondContact O-N 3.36Å
998	Q	35.6	Very low	36.6	Very low	75 Å²	75	88.9 Å²	88.9	35%	0.35	47%	0.465	S	S	.	.	H	α-helix	trans	-68.2	-25.4	176.8	-68.4	-173.2	20.2	0	0	113.5	E994 A995 K1002	E994-Q998 PolarHBondContact O-N 2.89Å; A995-Q998 PolarHBondContact O-N 3.25Å; Q998-K1002 VanDerWaalsContact O-CB 3.24Å; Q998-K1002 WeakPolarHBondContact O-CB 3.24Å; Q998-K1002 WeakPolarHBondContact O-CG 3.35Å; Q998-K1002 PolarHBondContact O-N 3.31Å
999	I	36.5	Very low	36.7	Very low	62 Å²	62	93 Å²	93	32%	0.318	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-51.2	167.2	-70.6	157.8	0	0	0	109.9	L985 A995 N997 K1002 L1003	L985-I999 HydrophobicContact CD1-CD1 3.95Å; L985-I999 HydrophobicContact CD1-CG1 3.83Å; L985-I999 HydrophobicContact CD2-CD1 3.69Å; L985-I999 HydrophobicContact CD2-CG1 3.37Å; L985-I999 HydrophobicContact CG-CD1 4.45Å; L985-I999 HydrophobicContact CG-CG1 4.25Å; A995-I999 WeakPolarHBondContact O-CD1 3.04Å; A995-I999 WeakPolarHBondContact O-CG1 3.45Å; A995-I999 PolarHBondContact O-N 3.38Å; N997-I999 VanDerWaalsContact C-N 3.3Å; N997-I999 PolarHBondContact O-N 2.99Å; I999-K1002 PolarHBondContact O-N 3.38Å; I999-L1003 HydrophobicContact CG2-CD1 3.65Å; I999-L1003 HydrophobicContact CG2-CG 4.31Å; I999-L1003 VanDerWaalsContact O-CB 3.32Å; I999-L1003 WeakPolarHBondContact O-CB 3.37Å; I999-L1003 VanDerWaalsContact O-CG 3.26Å; I999-L1003 WeakPolarHBondContact O-CG 3.39Å; I999-L1003 PolarHBondContact O-N 2.78Å
1000	I	37.9	Very low	37	Very low	64 Å²	64	95.7 Å²	95.7	33%	0.328	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-51.1	-178.9	-79.6	163.6	0	0	0	110.2	G996 N997 K1002 L1003 I1004 L1021	G996-I1000 PolarHBondContact O-N 3.45Å; N997-I1000 WeakPolarHBondContact O-CB 3.25Å; N997-I1000 PolarHBondContact O-N 3.4Å; N997-I1000 VanDerWaalsContact O-N 3.12Å; I1000-K1002 PolarHBondContact O-N 2.88Å; I1000-L1003 PolarHBondContact O-N 3.23Å; I1000-I1004 HydrophobicContact CG2-CD1 3.97Å; I1000-I1004 WeakPolarHBondContact O-CD1 3.42Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; I1000-I1004 PolarHBondContact O-N 2.8Å; I1000-L1021 HydrophobicContact CB-CD1 4.31Å; I1000-L1021 HydrophobicContact CD1-CD1 4.46Å; I1000-L1021 HydrophobicContact CG1-CD1 4.09Å; I1000-L1021 HydrophobicContact CG2-CD1 3.45Å; I1000-L1021 VanDerWaalsContact CG2-CD1 3.45Å; I1000-L1021 HydrophobicContact CG2-CD2 3.84Å; I1000-L1021 HydrophobicContact CG2-CG 4.29Å
1001	E	38.1	Very low	37.7	Very low	114 Å²	114	95 Å²	95	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-39.5	-179.1	-168.1	173.1	-130.1	0	0	112.2	N997 I1004 L1005	N997-E1001 WeakPolarHBondContact O-CB 3.21Å; N997-E1001 PolarHBondContact O-N 3.36Å; E1001-I1004 WeakPolarHBondContact O-CB 3.44Å; E1001-L1005 HydrophobicContact CG-CD1 4.29Å; E1001-L1005 WeakPolarHBondContact O-CB 3.17Å; E1001-L1005 WeakPolarHBondContact O-CD1 3.28Å; E1001-L1005 VanDerWaalsContact O-CG 3.26Å; E1001-L1005 WeakPolarHBondContact O-CG 3.45Å; E1001-L1005 PolarHBondContact O-N 3Å
1002	K	40.4	Very low	38.3	Very low	110 Å²	110	95 Å²	95	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-75.2	-35.6	175.1	-73.2	178	178.4	170.3	0	113.6	Q998 I999 I1000 I1004 L1005 T1006	Q998-K1002 VanDerWaalsContact O-CB 3.24Å; Q998-K1002 WeakPolarHBondContact O-CB 3.24Å; Q998-K1002 WeakPolarHBondContact O-CG 3.35Å; Q998-K1002 PolarHBondContact O-N 3.31Å; I999-K1002 PolarHBondContact O-N 3.38Å; I1000-K1002 PolarHBondContact O-N 2.88Å; K1002-I1004 VanDerWaalsContact C-N 3.28Å; K1002-I1004 PolarHBondContact O-N 3.42Å; K1002-L1005 CarbonylContact O-C 3.53Å; K1002-L1005 PolarHBondContact O-N 3.14Å; K1002-L1005 VanDerWaalsContact O-N 3.14Å; K1002-T1006 WeakPolarHBondContact O-CG2 3.33Å; K1002-T1006 PolarHBondContact O-N 3Å; K1002-T1006 PolarHBondContact O-OG1 3.21Å; K1002-T1006 VanDerWaalsContact O-OG1 3.07Å
1003	L	36.7	Very low	39	Very low	94 Å²	94	92.7 Å²	92.7	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-35	174.1	-76.1	172.7	0	0	0	111.7	I999 I1000 T1006	I999-L1003 HydrophobicContact CG2-CD1 3.65Å; I999-L1003 HydrophobicContact CG2-CG 4.31Å; I999-L1003 VanDerWaalsContact O-CB 3.32Å; I999-L1003 WeakPolarHBondContact O-CB 3.37Å; I999-L1003 VanDerWaalsContact O-CG 3.26Å; I999-L1003 WeakPolarHBondContact O-CG 3.39Å; I999-L1003 PolarHBondContact O-N 2.78Å; I1000-L1003 PolarHBondContact O-N 3.23Å; L1003-T1006 PolarHBondContact O-OG1 3.3Å
1004	I	42.8	Very low	39.5	Very low	14 Å²	14	86.9 Å²	86.9	7%	0.072	47%	0.468	C	S	.	.	H	α-helix	trans	-59.2	-53.3	167.1	-73.2	162.8	0	0	0	110	I1000 E1001 K1002 T1006 Q1014 F1017 Y1018	I1000-I1004 HydrophobicContact CG2-CD1 3.97Å; I1000-I1004 WeakPolarHBondContact O-CD1 3.42Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; I1000-I1004 PolarHBondContact O-N 2.8Å; E1001-I1004 WeakPolarHBondContact O-CB 3.44Å; K1002-I1004 VanDerWaalsContact C-N 3.28Å; K1002-I1004 PolarHBondContact O-N 3.42Å; I1004-T1006 VanDerWaalsContact C-N 3.35Å; I1004-T1006 PolarHBondContact O-N 3.05Å; I1004-Q1014 PolarHBondContact O-NE2 3.48Å; I1004-F1017 HydrophobicContact CG1-CD1 3.81Å; I1004-F1017 HydrophobicContact CG1-CE1 3.96Å; I1004-Y1018 HydrophobicContact CD1-CD2 4.44Å; I1004-Y1018 HydrophobicContact CD1-CE1 4.33Å; I1004-Y1018 HydrophobicContact CD1-CE2 4.02Å; I1004-Y1018 HydrophobicContact CG1-CE2 4.41Å; I1004-Y1018 HydrophobicContact CG2-CD2 4.25Å; I1004-Y1018 HydrophobicContact CG2-CE2 3.59Å
1005	L	42.9	Very low	40.1	Very low	102 Å²	102	83.7 Å²	83.7	53%	0.534	46%	0.459	S	S	.	.	H	α-helix	trans	-75	-9.7	-174.2	-69.7	167.5	0	0	0	115.8	E1001 K1002 N1008	E1001-L1005 HydrophobicContact CG-CD1 4.29Å; E1001-L1005 WeakPolarHBondContact O-CB 3.17Å; E1001-L1005 WeakPolarHBondContact O-CD1 3.28Å; E1001-L1005 VanDerWaalsContact O-CG 3.26Å; E1001-L1005 WeakPolarHBondContact O-CG 3.45Å; E1001-L1005 PolarHBondContact O-N 3Å; K1002-L1005 CarbonylContact O-C 3.53Å; K1002-L1005 PolarHBondContact O-N 3.14Å; K1002-L1005 VanDerWaalsContact O-N 3.14Å; L1005-N1008 PolarHBondContact O-OD1 3.5Å
1006	T	43.8	Very low	40.7	Very low	97 Å²	97	89.3 Å²	89.3	60%	0.595	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.2	178.2	47	0	0	0	0	115.1	K1002 L1003 I1004	K1002-T1006 WeakPolarHBondContact O-CG2 3.33Å; K1002-T1006 PolarHBondContact O-N 3Å; K1002-T1006 PolarHBondContact O-OG1 3.21Å; K1002-T1006 VanDerWaalsContact O-OG1 3.07Å; L1003-T1006 PolarHBondContact O-OG1 3.3Å; I1004-T1006 VanDerWaalsContact C-N 3.35Å; I1004-T1006 PolarHBondContact O-N 3.05Å
1007	N	41.7	Very low	41	Very low	76 Å²	76	91.6 Å²	91.6	41%	0.406	48%	0.478	S	S	.	.			trans	-106	70.2	176.6	-73.5	-6.7	0	0	0	110.5	D1009 Q1014	N1007-D1009 VanDerWaalsContact C-N 3.34Å; N1007-D1009 PolarHBondContact O-N 2.73Å; N1007-Q1014 PolarHBondContact O-NE2 3.04Å
1008	N	34.9	Very low	41.3	Very low	122 Å²	122	93.6 Å²	93.6	65%	0.652	48%	0.481	S	S	*	.			trans	-79.5	-8.7	-174.2	-77.8	-20.9	0	0	0	115.4	L1005	L1005-N1008 PolarHBondContact O-OD1 3.5Å
1009	D	42.1	Very low	41.7	Very low	159 Å²	159	97.1 Å²	97.1	85%	0.85	50%	0.495	S	S	*	.	S	Bend	trans	-103	-17.2	-174.9	-54.2	-48.1	0	0	0	114.1	N1007	N1007-D1009 VanDerWaalsContact C-N 3.34Å; N1007-D1009 PolarHBondContact O-N 2.73Å
1010	D	44.4	Very low	41.9	Very low	105 Å²	105	98.6 Å²	98.6	56%	0.561	50%	0.504	S	S	*	.			trans	-114.4	81.8	-178.1	-85.8	-43.8	0	0	0	111.6	D1012 L1013 Q1014	D1010-D1012 VanDerWaalsContact C-N 3.29Å; D1010-D1012 PolarHBondContact O-N 3.2Å; D1010-L1013 HydrophobicContact CB-CB 3.87Å; D1010-L1013 PolarHBondContact O-N 3.46Å; D1010-Q1014 PolarHBondContact O-N 3.4Å; D1010-Q1014 VanDerWaalsContact O-N 3.1Å
1011	S	46.9	Very low	41.9	Very low	91 Å²	91	96.4 Å²	96.4	64%	0.636	49%	0.493	S	S	*	.	H	α-helix	trans	-60.2	-34	-178.7	58.1	0	0	0	0	113.7	Q1014 S1015	S1011-Q1014 PolarHBondContact O-N 3.12Å; S1011-S1015 WeakPolarHBondContact O-CB 3.44Å; S1011-S1015 PolarHBondContact O-N 3.25Å
1012	D	45.7	Very low	41.9	Very low	130 Å²	130	94.1 Å²	94.1	70%	0.695	48%	0.484	S	S	*	.	H	α-helix	trans	-68.2	-33.4	174.7	-101.3	-17	0	0	0	112.6	D1010 S1015 K1016	D1010-D1012 VanDerWaalsContact C-N 3.29Å; D1010-D1012 PolarHBondContact O-N 3.2Å; D1012-S1015 PolarHBondContact O-OG 3.43Å; D1012-K1016 WeakPolarHBondContact O-CB 3.32Å; D1012-K1016 PolarHBondContact O-N 3.2Å
1013	L	43.6	Very low	42	Very low	96 Å²	96	92.8 Å²	92.8	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-74.6	-37.8	177	-148.7	81.6	0	0	0	111	D1010 F1017	D1010-L1013 HydrophobicContact CB-CB 3.87Å; D1010-L1013 PolarHBondContact O-N 3.46Å; L1013-F1017 WeakPolarHBondContact O-CB 3.39Å; L1013-F1017 PolarHBondContact O-N 2.73Å
1014	Q	41	Very low	42.4	Very low	54 Å²	54	94.4 Å²	94.4	25%	0.252	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-47	169.5	-83.6	-173.7	-17.2	0	0	111.9	I1004 N1007 D1010 S1011 K1016 F1017 Y1018	I1004-Q1014 PolarHBondContact O-NE2 3.48Å; N1007-Q1014 PolarHBondContact O-NE2 3.04Å; D1010-Q1014 PolarHBondContact O-N 3.4Å; D1010-Q1014 VanDerWaalsContact O-N 3.1Å; S1011-Q1014 PolarHBondContact O-N 3.12Å; Q1014-K1016 PolarHBondContact O-N 2.8Å; Q1014-F1017 PolarHBondContact O-N 3.33Å; Q1014-Y1018 WeakPolarHBondContact O-CB 3.45Å; Q1014-Y1018 PolarHBondContact O-N 3.2Å
1015	S	47.7	Very low	42.9	Very low	57 Å²	57	95.8 Å²	95.8	40%	0.399	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-38.1	-177.5	86.5	0	0	0	0	112.4	S1011 D1012 K1019	S1011-S1015 WeakPolarHBondContact O-CB 3.44Å; S1011-S1015 PolarHBondContact O-N 3.25Å; D1012-S1015 PolarHBondContact O-OG 3.43Å; S1015-K1019 PolarHBondContact O-N 2.73Å; S1015-K1019 VanDerWaalsContact O-N 3.07Å
1016	K	45	Very low	43.7	Very low	141 Å²	141	91.6 Å²	91.6	61%	0.613	48%	0.476	S	S	*	.	H	α-helix	trans	-72.6	-41.8	177	-158.1	167.4	-168.9	170.3	0	111.7	D1012 Q1014 Y1018 K1019 D1020	D1012-K1016 WeakPolarHBondContact O-CB 3.32Å; D1012-K1016 PolarHBondContact O-N 3.2Å; Q1014-K1016 PolarHBondContact O-N 2.8Å; K1016-Y1018 PolarHBondContact O-N 3.02Å; K1016-K1019 PolarHBondContact O-N 3.49Å; K1016-D1020 PolarHBondContact O-N 3.5Å
1017	F	38.7	Very low	44.9	Very low	88 Å²	88	90.2 Å²	90.2	39%	0.386	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-38.5	173.3	-167.5	-107.4	0	0	0	111.8	I1004 L1013 Q1014 D1020 L1021	I1004-F1017 HydrophobicContact CG1-CD1 3.81Å; I1004-F1017 HydrophobicContact CG1-CE1 3.96Å; L1013-F1017 WeakPolarHBondContact O-CB 3.39Å; L1013-F1017 PolarHBondContact O-N 2.73Å; Q1014-F1017 PolarHBondContact O-N 3.33Å; F1017-D1020 PolarHBondContact O-N 2.71Å; F1017-L1021 HydrophobicContact CD1-CD1 4.23Å; F1017-L1021 HydrophobicContact CE1-CD1 3.6Å; F1017-L1021 HydrophobicContact CZ-CD1 3.95Å; F1017-L1021 WeakPolarHBondContact O-CB 3.44Å; F1017-L1021 PolarHBondContact O-N 2.72Å
1018	Y	41.9	Very low	46.4	Very low	114 Å²	114	88.5 Å²	88.5	45%	0.447	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-39.4	172.5	-109.9	-68.4	0	0	0	112.8	I1004 Q1014 K1016 L1021 N1022	I1004-Y1018 HydrophobicContact CD1-CD2 4.44Å; I1004-Y1018 HydrophobicContact CD1-CE1 4.33Å; I1004-Y1018 HydrophobicContact CD1-CE2 4.02Å; I1004-Y1018 HydrophobicContact CG1-CE2 4.41Å; I1004-Y1018 HydrophobicContact CG2-CD2 4.25Å; I1004-Y1018 HydrophobicContact CG2-CE2 3.59Å; Q1014-Y1018 WeakPolarHBondContact O-CB 3.45Å; Q1014-Y1018 PolarHBondContact O-N 3.2Å; K1016-Y1018 PolarHBondContact O-N 3.02Å; Y1018-L1021 PolarHBondContact O-N 3.42Å; Y1018-N1022 VanDerWaalsContact O-CB 3.32Å; Y1018-N1022 WeakPolarHBondContact O-CB 3.17Å; Y1018-N1022 PolarHBondContact O-N 2.84Å
1019	K	42.7	Very low	48.6	Very low	150 Å²	150	85 Å²	85	65%	0.652	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-44.5	173.8	-79.5	178.8	174.8	176.2	0	112	S1015 K1016 L1021 S1023	S1015-K1019 PolarHBondContact O-N 2.73Å; S1015-K1019 VanDerWaalsContact O-N 3.07Å; K1016-K1019 PolarHBondContact O-N 3.49Å; K1019-L1021 VanDerWaalsContact C-N 3.3Å; K1019-L1021 PolarHBondContact O-N 3.08Å; K1019-S1023 WeakPolarHBondContact O-CB 3.46Å; K1019-S1023 PolarHBondContact O-N 2.71Å; K1019-S1023 VanDerWaalsContact O-N 3.12Å; K1019-S1023 PolarHBondContact O-OG 3.09Å
1020	D	41.2	Very low	50.6	Low	93 Å²	93	77.6 Å²	77.6	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-36.6	175.4	-71.1	-16.7	0	0	0	111.1	K1016 F1017 S1023 Y1024	K1016-D1020 PolarHBondContact O-N 3.5Å; F1017-D1020 PolarHBondContact O-N 2.71Å; D1020-S1023 VanDerWaalsContact O-CB 3.3Å; D1020-S1023 WeakPolarHBondContact O-CB 3.3Å; D1020-S1023 PolarHBondContact O-N 2.79Å; D1020-Y1024 WeakPolarHBondContact O-CD2 3.08Å; D1020-Y1024 WeakPolarHBondContact O-CE2 3.22Å
1021	L	37.9	Very low	52.5	Low	18 Å²	18	76.4 Å²	76.4	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-76.3	-38.5	-178.9	-150.2	142.5	0	0	0	112.8	I1000 F1017 Y1018 K1019 S1023 Y1024	I1000-L1021 HydrophobicContact CB-CD1 4.31Å; I1000-L1021 HydrophobicContact CD1-CD1 4.46Å; I1000-L1021 HydrophobicContact CG1-CD1 4.09Å; I1000-L1021 HydrophobicContact CG2-CD1 3.45Å; I1000-L1021 VanDerWaalsContact CG2-CD1 3.45Å; I1000-L1021 HydrophobicContact CG2-CD2 3.84Å; I1000-L1021 HydrophobicContact CG2-CG 4.29Å; F1017-L1021 HydrophobicContact CD1-CD1 4.23Å; F1017-L1021 HydrophobicContact CE1-CD1 3.6Å; F1017-L1021 HydrophobicContact CZ-CD1 3.95Å; F1017-L1021 WeakPolarHBondContact O-CB 3.44Å; F1017-L1021 PolarHBondContact O-N 2.72Å; Y1018-L1021 PolarHBondContact O-N 3.42Å; K1019-L1021 VanDerWaalsContact C-N 3.3Å; K1019-L1021 PolarHBondContact O-N 3.08Å; L1021-S1023 PolarHBondContact O-N 2.76Å; L1021-Y1024 HydrophobicContact CG-CD2 4.5Å; L1021-Y1024 WeakPolarHBondContact O-CB 3.48Å; L1021-Y1024 PolarHBondContact O-N 3.02Å
1022	N	37.9	Very low	54.3	Low	66 Å²	66	72.8 Å²	72.8	35%	0.353	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-17.7	167.7	-70.7	-9.4	0	0	0	112.5	Y1018 Y1024 I1161	Y1018-N1022 VanDerWaalsContact O-CB 3.32Å; Y1018-N1022 WeakPolarHBondContact O-CB 3.17Å; Y1018-N1022 PolarHBondContact O-N 2.84Å; N1022-Y1024 VanDerWaalsContact C-N 3.33Å; N1022-I1161 WeakPolarHBondContact OD1-CD1 3.49Å
1023	S	41.6	Very low	56.2	Low	82 Å²	82	71 Å²	71	57%	0.573	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.2	173.4	-55	0	0	0	0	113.7	K1019 D1020 L1021	K1019-S1023 WeakPolarHBondContact O-CB 3.46Å; K1019-S1023 PolarHBondContact O-N 2.71Å; K1019-S1023 VanDerWaalsContact O-N 3.12Å; K1019-S1023 PolarHBondContact O-OG 3.09Å; D1020-S1023 VanDerWaalsContact O-CB 3.3Å; D1020-S1023 WeakPolarHBondContact O-CB 3.3Å; D1020-S1023 PolarHBondContact O-N 2.79Å; L1021-S1023 PolarHBondContact O-N 2.76Å
1024	Y	46.1	Very low	58.1	Low	127 Å²	127	67 Å²	67	50%	0.498	34%	0.339	S	S	.	.			trans	-74.7	132.5	174.1	-82.6	-113.7	0	0	0	111.5	D1020 L1021 N1022 S1026 G1160	D1020-Y1024 WeakPolarHBondContact O-CD2 3.08Å; D1020-Y1024 WeakPolarHBondContact O-CE2 3.22Å; L1021-Y1024 HydrophobicContact CG-CD2 4.5Å; L1021-Y1024 WeakPolarHBondContact O-CB 3.48Å; L1021-Y1024 PolarHBondContact O-N 3.02Å; N1022-Y1024 VanDerWaalsContact C-N 3.33Å; Y1024-S1026 PolarHBondContact O-N 2.68Å; Y1024-G1160 PolarHBondContact O-N 2.66Å
1025	L	54.1	Low	59.9	Low	44 Å²	44	69 Å²	69	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111.7	173.2	-75	71.2	0	0	0	109.6	W1124 L1157 G1158	L1025-W1124 HydrophobicContact CD1-CH2 3.76Å; L1025-W1124 HydrophobicContact CD1-CZ2 3.99Å; L1025-W1124 HydrophobicContact CD2-CH2 3.68Å; L1025-W1124 HydrophobicContact CD2-CZ2 3.74Å; L1025-W1124 HydrophobicContact CG-CH2 3.6Å; L1025-W1124 HydrophobicContact CG-CZ2 4.07Å; L1025-L1157 HydrophobicContact CD2-CB 4.2Å; L1025-L1157 HydrophobicContact CD2-CD2 3.99Å; L1025-G1158 CarbonylContact C-O 3.47Å; L1025-G1158 WeakPolarHBondContact CA-O 3.37Å
1026	S	58.7	Low	61.4	Low	13 Å²	13	72.7 Å²	72.7	9%	0.091	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	144.2	152	59.9	0	0	0	0	109.8	Y1024 G1158 L1167	Y1024-S1026 PolarHBondContact O-N 2.68Å; S1026-G1158 PolarHBondContact N-O 2.97Å; S1026-G1158 PolarHBondContact O-N 3.24Å; S1026-G1158 VanDerWaalsContact O-N 3.12Å; S1026-G1158 PolarHBondContact OG-O 2.75Å; S1026-L1167 VanDerWaalsContact OG-CD2 3.3Å; S1026-L1167 WeakPolarHBondContact OG-CD2 3.3Å; S1026-L1167 VanDerWaalsContact OG-CG 3.25Å; S1026-L1167 WeakPolarHBondContact OG-CG 3.1Å
1027	I	68.2	Low	62.8	Low	69 Å²	69	66.3 Å²	66.3	35%	0.354	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.8	-177.5	-41	-171.2	0	0	0	108.7	L1156 L1157 N1164	I1027-L1156 CarbonylContact C-O 3.46Å; I1027-L1156 WeakPolarHBondContact CA-O 3.24Å; I1027-L1157 HydrophobicContact CB-CD2 4.3Å; I1027-L1157 HydrophobicContact CD1-CD2 3.85Å; I1027-L1157 HydrophobicContact CG1-CD2 3.8Å; I1027-L1157 HydrophobicContact CG2-CD2 3.83Å; I1027-N1164 PolarHBondContact O-OD1 2.84Å
1028	K	74.4	Confident	64.1	Low	40 Å²	40	65.2 Å²	65.2	17%	0.174	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118	174.5	170.8	56.6	176.4	139.5	0	109.5	Y1030 L1156 L1167 L1175	K1028-Y1030 HydrophobicContact CD-CE1 4.39Å; K1028-Y1030 HydrophobicContact CG-CD2 4.29Å; K1028-Y1030 HydrophobicContact CG-CE1 4.15Å; K1028-Y1030 HydrophobicContact CG-CE2 3.68Å; K1028-L1156 PolarHBondContact N-O 3.03Å; K1028-L1156 PolarHBondContact O-N 3.48Å; K1028-L1167 HydrophobicContact CB-CD1 3.5Å; K1028-L1167 VanDerWaalsContact CB-CD1 3.5Å; K1028-L1175 PolarHBondContact NZ-O 3.33Å
1029	E	80.9	Confident	65	Low	47 Å²	47	62.6 Å²	62.6	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.5	171	-51	-146.4	160.6	0	0	111.6	T827 N1153 Q1155	T827-E1029 VanDerWaalsContact CG2-CD 3.42Å; T827-E1029 HydrophobicContact CG2-CG 4.12Å; T827-E1029 VanDerWaalsContact CG2-OE2 3.31Å; T827-E1029 WeakPolarHBondContact CG2-OE2 3.36Å; E1029-N1153 PolarHBondContact OE2-ND2 2.83Å; E1029-Q1155 HydrophobicContact CG-CG 3.96Å; E1029-Q1155 WeakPolarHBondContact OE1-CG 3.38Å; E1029-Q1155 PolarHBondContact OE1-NE2 3.05Å
1030	Y	84.6	Confident	65.7	Low	4 Å²	4	57 Å²	57	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.3	170.6	-61.3	-76	0	0	0	107	K1028 W1152 N1153 L1154 L1156 P1168 P1170 L1177	K1028-Y1030 HydrophobicContact CD-CE1 4.39Å; K1028-Y1030 HydrophobicContact CG-CD2 4.29Å; K1028-Y1030 HydrophobicContact CG-CE1 4.15Å; K1028-Y1030 HydrophobicContact CG-CE2 3.68Å; Y1030-W1152 WeakPolarHBondContact O-CZ3 3.46Å; Y1030-N1153 CarbonylContact O-C 3.59Å; Y1030-N1153 WeakPolarHBondContact O-CA 3.45Å; Y1030-N1153 PolarHBondContact O-OD1 2.98Å; Y1030-L1154 PolarHBondContact N-O 2.6Å; Y1030-L1154 PolarHBondContact O-N 3.49Å; Y1030-L1156 HydrophobicContact CE2-CB 4.36Å; Y1030-L1156 HydrophobicContact CE2-CD2 4.28Å; Y1030-P1168 PolarHBondContact OH-O 3.17Å; Y1030-P1170 HydrophobicContact CE1-CG 4.37Å; Y1030-P1170 WeakPolarHBondContact OH-CD 3.46Å; Y1030-L1177 HydrophobicContact CD1-CD1 4.49Å; Y1030-L1177 HydrophobicContact CD1-CG 3.94Å; Y1030-L1177 HydrophobicContact CD2-CD1 4.03Å; Y1030-L1177 HydrophobicContact CD2-CG 4.27Å; Y1030-L1177 HydrophobicContact CE1-CG 4.39Å; Y1030-L1177 HydrophobicContact CG-CD1 3.9Å; Y1030-L1177 HydrophobicContact CG-CG 3.85Å
1031	S	84.3	Confident	66.4	Low	81 Å²	81	60.5 Å²	60.5	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.7	177.5	57	0	0	0	0	112.1	W1152	S1031-W1152 WeakPolarHBondContact CA-O 3.35Å; S1031-W1152 WeakPolarHBondContact CB-O 3.35Å
1032	G	84.7	Confident	67.2	Low	14 Å²	14	65.3 Å²	65.3	14%	0.144	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-179.9	-178.9	0	0	0	0	0	112.5	K1151 W1152	G1032-K1151 WeakPolarHBondContact O-CA 3.45Å; G1032-W1152 VanDerWaalsContact CA-CE2 3.49Å; G1032-W1152 PolarHBondContact N-O 3.22Å; G1032-W1152 PolarHBondContact O-N 2.74Å
1033	N	84.7	Confident	68.4	Low	94 Å²	94	62.7 Å²	62.7	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	154	177	-53.7	-28.8	0	0	0	108.6	G1150 K1151	N1033-G1150 VanDerWaalsContact CA-O 3.27Å; N1033-G1150 WeakPolarHBondContact CA-O 3.2Å; N1033-K1151 WeakPolarHBondContact OD1-CG 3.36Å
1034	Y	84	Confident	69.4	Low	12 Å²	12	64 Å²	64	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.7	167.7	63	-90.1	0	0	0	109.7	I1037 L1066 T1097 V1098 I1147 P1148 S1149 G1150 K1151	Y1034-I1037 HydrophobicContact CD2-CD1 3.95Å; Y1034-I1037 HydrophobicContact CD2-CG1 4.14Å; Y1034-I1037 HydrophobicContact CE2-CD1 4.12Å; Y1034-I1037 HydrophobicContact CE2-CG1 4.46Å; Y1034-L1066 HydrophobicContact CD1-CD2 3.63Å; Y1034-L1066 HydrophobicContact CD2-CD2 4.38Å; Y1034-L1066 HydrophobicContact CE1-CD2 4.25Å; Y1034-L1066 HydrophobicContact CG-CD2 3.72Å; Y1034-T1097 PolarHBondContact OH-OG1 3.1Å; Y1034-V1098 HydrophobicContact CD1-CG2 4.41Å; Y1034-V1098 HydrophobicContact CD2-CG2 4.48Å; Y1034-V1098 HydrophobicContact CE1-CG2 3.61Å; Y1034-V1098 HydrophobicContact CE2-CG2 3.74Å; Y1034-V1098 VanDerWaalsContact OH-CG2 3.27Å; Y1034-V1098 WeakPolarHBondContact OH-CG2 3.07Å; Y1034-I1147 HydrophobicContact CE2-CG2 4.31Å; Y1034-P1148 WeakPolarHBondContact CE2-O 3.3Å; Y1034-P1148 PolarHBondContact OH-O 2.82Å; Y1034-S1149 WeakPolarHBondContact O-CA 3.36Å; Y1034-S1149 WeakPolarHBondContact O-CB 3.5Å; Y1034-G1150 VanDerWaalsContact CD1-C 3.47Å; Y1034-G1150 VanDerWaalsContact CE1-CA 3.43Å; Y1034-G1150 VanDerWaalsContact CZ-N 3.35Å; Y1034-G1150 PolarHBondContact N-O 2.73Å; Y1034-G1150 PolarHBondContact O-N 2.73Å; Y1034-K1151 VanDerWaalsContact CE1-N 3.31Å
1035	S	79.2	Confident	70.3	Confident	94 Å²	94	62.1 Å²	62.1	66%	0.657	33%	0.332	S	S	*	.			trans	-69.7	165.5	175.9	-63.1	0	0	0	0	111	I1037	S1035-I1037 PolarHBondContact O-N 3.4Å
1036	E	77.7	Confident	70.9	Confident	135 Å²	135	61 Å²	61	63%	0.631	33%	0.327	S	S	*	.			trans	-53.3	126.9	173.6	-176.5	172.4	-170.3	0	0	110.8	P1038	E1036-P1038 WeakPolarHBondContact O-CD 3.03Å
1037	I	74.5	Confident	70.9	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.036	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-92.5	107.9	177.3	-63.1	174.1	0	0	0	105.8	Y1034 S1035 H1064 V1140 P1143 P1146 I1147	Y1034-I1037 HydrophobicContact CD2-CD1 3.95Å; Y1034-I1037 HydrophobicContact CD2-CG1 4.14Å; Y1034-I1037 HydrophobicContact CE2-CD1 4.12Å; Y1034-I1037 HydrophobicContact CE2-CG1 4.46Å; S1035-I1037 PolarHBondContact O-N 3.4Å; I1037-H1064 HydrophobicContact CD1-CB 4.34Å; I1037-H1064 HydrophobicContact CG2-CB 4.36Å; I1037-V1140 HydrophobicContact CD1-CB 4.45Å; I1037-V1140 HydrophobicContact CD1-CG1 4.38Å; I1037-V1140 HydrophobicContact CD1-CG2 4Å; I1037-P1143 HydrophobicContact CG2-CG 4.08Å; I1037-P1146 CarbonylContact O-C 3.32Å; I1037-P1146 WeakPolarHBondContact O-CA 3.41Å; I1037-I1147 HydrophobicContact CB-CB 4.18Å; I1037-I1147 PolarHBondContact N-O 3.19Å; I1037-I1147 PolarHBondContact O-N 3.28Å
1038	P	66.6	Low	70	Confident	65 Å²	65	65.6 Å²	65.6	42%	0.422	35%	0.354	S	S	.	.			trans	-62.3	160.4	-180	27.6	-35.6	0	0	0	110.8	E1036	E1036-P1038 WeakPolarHBondContact O-CD 3.03Å
1039	S	60.3	Low	68.4	Low	60 Å²	60	69.1 Å²	69.1	42%	0.42	38%	0.383	S	S	.	.			trans	-54.4	149.4	174.7	56.4	0	0	0	0	111	Y1041	S1039-Y1041 PolarHBondContact O-N 2.85Å
1040	P	57.9	Low	66.6	Low	33 Å²	33	74 Å²	74	21%	0.214	41%	0.406	C	S	.	.			trans	-52.9	114.5	179.6	21.3	-32.6	0	0	0	109.2	L1042 D1061 P1143	P1040-L1042 VanDerWaalsContact C-N 3.3Å; P1040-L1042 PolarHBondContact O-N 2.73Å; P1040-D1061 HydrophobicContact CB-CB 4.25Å; P1040-P1143 WeakPolarHBondContact CD-O 3.47Å; P1040-P1143 VanDerWaalsContact CG-O 3.31Å; P1040-P1143 WeakPolarHBondContact CG-O 3.14Å
1041	Y	55.9	Low	64.4	Low	165 Å²	165	81.2 Å²	81.2	65%	0.647	44%	0.438	S	S	*	.			trans	-85.1	83.5	-169	-149.4	-75.3	0	0	0	107.1	S1039 M1043 D1061 R1216	S1039-Y1041 PolarHBondContact O-N 2.85Å; Y1041-M1043 PolarHBondContact O-N 3.44Å; Y1041-D1061 PolarHBondContact N-OD1 2.91Å; Y1041-R1216 PolarHBondContact O-NH1 3.24Å
1042	L	54	Low	62	Low	119 Å²	119	83.4 Å²	83.4	62%	0.623	45%	0.448	S	S	*	.			trans	-47.8	111.3	173.5	-105.8	75.2	0	0	0	108.2	P1040	P1040-L1042 VanDerWaalsContact C-N 3.3Å; P1040-L1042 PolarHBondContact O-N 2.73Å
1043	M	64.9	Low	59.6	Low	12 Å²	12	90.4 Å²	90.4	6%	0.059	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-68.2	134.4	166.9	-88.5	175.7	52	0	0	107.7	Y1041 H1045 W1062 R1216 L1217 K1470	Y1041-M1043 PolarHBondContact O-N 3.44Å; M1043-H1045 PolarHBondContact O-N 2.87Å; M1043-H1045 PolarHBondContact O-ND1 2.94Å; M1043-W1062 HydrophobicContact SD-CZ2 4.27Å; M1043-R1216 HydrophobicContact CE-CB 4.02Å; M1043-R1216 HydrophobicContact SD-CB 3.46Å; M1043-R1216 WeakPolarHBondContact SD-CB 3.2Å; M1043-R1216 HydrophobicContact SD-CG 4.32Å; M1043-L1217 VanDerWaalsContact CE-C 3.41Å; M1043-K1470 HydrophobicContact CE-CB 4.44Å; M1043-K1470 HydrophobicContact SD-CB 4.08Å
1044	H	60.7	Low	57.2	Low	110 Å²	110	91.9 Å²	91.9	51%	0.509	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-56.9	117.4	179.1	-75.2	-90.3	0	0	0	109.3	T1046 S1218 Y1464	H1044-T1046 PolarHBondContact O-N 3.41Å; H1044-S1218 WeakPolarHBondContact O-CB 3.4Å; H1044-Y1464 VanDerWaalsContact CB-O 3.32Å; H1044-Y1464 WeakPolarHBondContact CB-O 3.36Å; H1044-Y1464 AromaticContact CD2-CG 3.95Å
1045	H	66.8	Low	54.9	Low	87 Å²	87	97 Å²	97	40%	0.403	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-81.8	119.9	-176.3	-70.5	-44.4	0	0	0	110.4	M1043 H1059 S1218	M1043-H1045 PolarHBondContact O-N 2.87Å; M1043-H1045 PolarHBondContact O-ND1 2.94Å; H1045-H1059 AromaticContact CE1-CE1 3.63Å; H1045-H1059 AromaticContact CE1-ND1 3.74Å; H1045-H1059 AromaticContact NE2-CE1 3.24Å; H1045-H1059 PolarHBondContact NE2-CE1 3.1Å; H1045-H1059 AromaticContact NE2-ND1 3.34Å; H1045-H1059 PolarHBondContact NE2-ND1 3.38Å; H1045-S1218 WeakPolarHBondContact CA-O 3.4Å; H1045-S1218 PolarHBondContact ND1-O 3.07Å
1046	T	66	Low	53.1	Low	21 Å²	21	101.7 Å²	101.7	13%	0.129	53%	0.527	C	S	.	.			trans	-108.5	14.8	-172.3	56.1	0	0	0	0	113.1	H1044 S1218 Y1464 N1465	H1044-T1046 PolarHBondContact O-N 3.41Å; T1046-S1218 WeakPolarHBondContact OG1-CB 3.29Å; T1046-S1218 PolarHBondContact OG1-OG 3.37Å; T1046-S1218 VanDerWaalsContact OG1-OG 3.11Å; T1046-Y1464 WeakPolarHBondContact CG2-O 3.47Å; T1046-N1465 VanDerWaalsContact CG2-O 3.29Å; T1046-N1465 WeakPolarHBondContact CG2-O 3.47Å
1047	G	57.7	Low	51.3	Low	31 Å²	31	99 Å²	99	32%	0.32	52%	0.523	S	S	.	.	S	Bend	trans	-105.6	162.3	176.6	0	0	0	0	0	113
1048	E	50.7	Low	49.6	Very low	147 Å²	147	104.1 Å²	104.1	69%	0.687	55%	0.545	S	S	*	.			trans	-69.4	132.2	-175.1	-61.1	-169.1	159.6	0	0	113.5	Q1050	E1048-Q1050 VanDerWaalsContact C-N 3.27Å; E1048-Q1050 PolarHBondContact O-N 3.42Å
1049	S	40.7	Very low	48.8	Very low	114 Å²	114	104.8 Å²	104.8	80%	0.797	54%	0.543	S	S	*	.			trans	-84	46.3	-170.1	65.1	0	0	0	0	114.3
1050	Q	41.8	Very low	48.5	Very low	150 Å²	150	108.8 Å²	108.8	70%	0.701	55%	0.552	S	S	*	*			trans	-101.2	-2.9	-172.1	-62.2	-161.5	23.6	0	0	115.9	E1048	E1048-Q1050 VanDerWaalsContact C-N 3.27Å; E1048-Q1050 PolarHBondContact O-N 3.42Å
1051	F	39.2	Very low	48.9	Very low	155 Å²	155	107.8 Å²	107.8	68%	0.68	55%	0.546	S	S	*	.			trans	-109.8	70	-179.7	-73.2	-79.9	0	0	0	113.1	N1053 M1054	F1051-N1053 PolarHBondContact O-N 2.85Å; F1051-M1054 HydrophobicContact CB-CG 4.21Å
1052	T	33.2	Very low	49.9	Very low	126 Å²	126	100.4 Å²	100.4	77%	0.773	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	31.3	-178.8	61.6	0	0	0	0	114
1053	N	35.8	Very low	51.1	Low	161 Å²	161	95.7 Å²	95.7	86%	0.861	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.7	23.2	-173.1	-101.9	-22.7	0	0	0	113.7	F1051	F1051-N1053 PolarHBondContact O-N 2.85Å
1054	M	34.6	Very low	51.9	Low	125 Å²	125	96.7 Å²	96.7	62%	0.616	50%	0.496	S	S	*	.	S	Bend	trans	-95.5	140.6	167.7	-67.6	-67.6	-73.3	0	0	109.1	F1051 F1058	F1051-M1054 HydrophobicContact CB-CG 4.21Å; M1054-F1058 HydrophobicContact CE-CE2 4.38Å
1055	D	35.8	Very low	53.1	Low	120 Å²	120	92.2 Å²	92.2	64%	0.642	48%	0.476	S	S	*	.			trans	-54.5	142.1	-173.9	-72.5	-49	0	0	0	113.5	S1057 F1058	D1055-S1057 WeakPolarHBondContact CB-OG 3.3Å; D1055-S1057 PolarHBondContact O-N 2.78Å; D1055-F1058 HydrophobicContact CB-CD2 4.38Å; D1055-F1058 HydrophobicContact CB-CE2 4.46Å; D1055-F1058 PolarHBondContact O-N 3.39Å
1056	E	40.1	Very low	53.9	Low	192 Å²	192	88.1 Å²	88.1	90%	0.897	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-59.5	-9.5	173.4	-59.9	-177.5	136.1	0	0	113.3	F1058	E1056-F1058 VanDerWaalsContact C-N 3.31Å; E1056-F1058 PolarHBondContact O-N 3.33Å
1057	S	41.1	Very low	54.9	Low	79 Å²	79	87.1 Å²	87.1	55%	0.552	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-69.1	-18.6	-179.7	67.7	0	0	0	0	115.1	D1055	D1055-S1057 WeakPolarHBondContact CB-OG 3.3Å; D1055-S1057 PolarHBondContact O-N 2.78Å
1058	F	38.9	Very low	56.3	Low	114 Å²	114	85.6 Å²	85.6	50%	0.5	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-79.5	-23.6	-176	-76.5	-83.3	0	0	0	114	M1054 D1055 E1056 K1060	M1054-F1058 HydrophobicContact CE-CE2 4.38Å; D1055-F1058 HydrophobicContact CB-CD2 4.38Å; D1055-F1058 HydrophobicContact CB-CE2 4.46Å; D1055-F1058 PolarHBondContact O-N 3.39Å; E1056-F1058 VanDerWaalsContact C-N 3.31Å; E1056-F1058 PolarHBondContact O-N 3.33Å; F1058-K1060 PolarHBondContact O-N 2.87Å
1059	H	49.4	Very low	58	Low	80 Å²	80	79.3 Å²	79.3	37%	0.37	41%	0.406	S	S	.	.			trans	-84.2	75	179.1	-71.7	-97.6	0	0	0	111.8	H1045 N1142	H1045-H1059 AromaticContact CE1-CE1 3.63Å; H1045-H1059 AromaticContact CE1-ND1 3.74Å; H1045-H1059 AromaticContact NE2-CE1 3.24Å; H1045-H1059 PolarHBondContact NE2-CE1 3.1Å; H1045-H1059 AromaticContact NE2-ND1 3.34Å; H1045-H1059 PolarHBondContact NE2-ND1 3.38Å; H1059-N1142 PolarHBondContact O-ND2 2.94Å
1060	K	54.3	Low	60.1	Low	143 Å²	143	74.1 Å²	74.1	62%	0.622	37%	0.37	S	S	*	.			trans	-74.4	123.7	169.2	-67.9	-177.7	-178.8	176.9	0	110.4	F1058 R1216	F1058-K1060 PolarHBondContact O-N 2.87Å; K1060-R1216 VanDerWaalsContact O-CZ 3.27Å; K1060-R1216 PolarHBondContact O-NE 3.09Å; K1060-R1216 VanDerWaalsContact O-NE 3.14Å; K1060-R1216 PolarHBondContact O-NH2 3.34Å
1061	D	65.2	Low	62	Low	13 Å²	13	67 Å²	67	7%	0.07	34%	0.337	C	S	.	.			trans	-80	175.8	172.2	-93.9	-87.1	0	0	0	113.8	P1040 Y1041 I1063 N1142 R1216	P1040-D1061 HydrophobicContact CB-CB 4.25Å; Y1041-D1061 PolarHBondContact N-OD1 2.91Å; D1061-I1063 PolarHBondContact O-N 2.92Å; D1061-N1142 HydrophobicContact CB-CB 4.43Å; D1061-N1142 WeakPolarHBondContact CB-OD1 3.22Å; D1061-N1142 PolarHBondContact N-ND2 3.31Å; D1061-N1142 PolarHBondContact OD2-ND2 2.95Å; D1061-R1216 VanDerWaalsContact CA-NH2 3.33Å; D1061-R1216 IonicContact OD1-CZ 2.78Å; D1061-R1216 IonicContact OD1-NH1 3.58Å; D1061-R1216 PolarHBondContact OD1-NH1 2.92Å; D1061-R1216 IonicContact OD1-NH2 2.66Å; D1061-R1216 PolarHBondContact OD1-NH2 3.5Å; D1061-R1216 IonicContact OD2-CZ 2.7Å; D1061-R1216 IonicContact OD2-NH1 3.93Å; D1061-R1216 IonicContact OD2-NH2 3.51Å; D1061-R1216 PolarHBondContact OD2-NH2 3.35Å
1062	W	76.2	Confident	63.7	Low	10 Å²	10	63.9 Å²	63.9	4%	0.038	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-48.3	126.7	173.9	-65.4	101.2	0	0	0	110.9	M1043 H1064 H1214 R1216 K1470 R1472	M1043-W1062 HydrophobicContact SD-CZ2 4.27Å; W1062-H1064 PolarHBondContact O-CD2 2.78Å; W1062-H1064 PolarHBondContact O-N 3.3Å; W1062-H1214 AromaticContact CD2-ND1 3.82Å; W1062-H1214 HydrophobicContact CE3-CB 4.12Å; W1062-H1214 AromaticContact CE3-CG 3.93Å; W1062-H1214 AromaticContact CE3-ND1 3.04Å; W1062-H1214 HydrophobicContact CZ3-CB 3.98Å; W1062-H1214 AromaticContact CZ3-CG 3.94Å; W1062-H1214 AromaticContact CZ3-ND1 3.27Å; W1062-H1214 VanDerWaalsContact CZ3-ND1 3.27Å; W1062-H1214 WeakPolarHBondContact CZ3-ND1 3.46Å; W1062-R1216 HydrophobicContact CH2-CB 4.35Å; W1062-R1216 HydrophobicContact CZ2-CB 4.4Å; W1062-K1470 HydrophobicContact CH2-CB 4.09Å; W1062-K1470 HydrophobicContact CH2-CD 4.48Å; W1062-K1470 HydrophobicContact CH2-CG 3.81Å; W1062-K1470 HydrophobicContact CZ2-CB 4.11Å; W1062-K1470 HydrophobicContact CZ2-CD 4.02Å; W1062-K1470 HydrophobicContact CZ2-CG 3.83Å; W1062-R1472 VanDerWaalsContact CB-NH1 3.29Å; W1062-R1472 HydrophobicContact CE3-CB 3.72Å; W1062-R1472 HydrophobicContact CE3-CG 4.44Å; W1062-R1472 HydrophobicContact CH2-CB 4.13Å; W1062-R1472 HydrophobicContact CZ3-CB 3.31Å; W1062-R1472 HydrophobicContact CZ3-CG 4.44Å
1063	I	79.1	Confident	65.1	Low	20 Å²	20	58.3 Å²	58.3	10%	0.103	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.4	118.8	170.1	-78.4	153.5	0	0	0	108.7	D1061 L1065 I1139 C1245 Y1247	D1061-I1063 PolarHBondContact O-N 2.92Å; I1063-L1065 HydrophobicContact CG2-CD2 3.85Å; I1063-L1065 HydrophobicContact CG2-CG 4.5Å; I1063-I1139 HydrophobicContact CG2-CG1 4.46Å; I1063-I1139 HydrophobicContact CG2-CG2 4.06Å; I1063-C1245 HydrophobicContact CD1-CB 3.85Å; I1063-C1245 WeakPolarHBondContact CD1-SG 3.09Å; I1063-Y1247 HydrophobicContact CD1-CD1 4.18Å; I1063-Y1247 HydrophobicContact CD1-CE1 3.56Å
1064	H	83.1	Confident	66	Low	32 Å²	32	52.2 Å²	52.2	15%	0.148	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.1	173.7	-72.8	-86.9	0	0	0	109.1	I1037 W1062 V1140	I1037-H1064 HydrophobicContact CD1-CB 4.34Å; I1037-H1064 HydrophobicContact CG2-CB 4.36Å; W1062-H1064 PolarHBondContact O-CD2 2.78Å; W1062-H1064 PolarHBondContact O-N 3.3Å; H1064-V1140 HydrophobicContact CB-CB 4.16Å; H1064-V1140 PolarHBondContact O-N 3.11Å
1065	L	85.7	Confident	66.6	Low	17 Å²	17	50.2 Å²	50.2	9%	0.089	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.2	-177	-60.1	-178.7	0	0	0	111.1	I1063 R1068 L1137 G1138 I1139 F1181 I1474	I1063-L1065 HydrophobicContact CG2-CD2 3.85Å; I1063-L1065 HydrophobicContact CG2-CG 4.5Å; L1065-R1068 HydrophobicContact CD1-CB 4.27Å; L1065-L1137 HydrophobicContact CD2-CD2 4.18Å; L1065-G1138 CarbonylContact C-O 3.54Å; L1065-G1138 WeakPolarHBondContact CA-O 3.15Å; L1065-I1139 HydrophobicContact CD2-CG1 3.84Å; L1065-F1181 HydrophobicContact CB-CD2 4.17Å; L1065-F1181 HydrophobicContact CB-CE2 3.55Å; L1065-F1181 HydrophobicContact CB-CZ 3.89Å; L1065-I1474 HydrophobicContact CD1-CD1 4.05Å; L1065-I1474 HydrophobicContact CD1-CG2 4.24Å; L1065-I1474 HydrophobicContact CG-CD1 4.29Å
1066	L	83.6	Confident	66.7	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-46.9	171.6	-61.6	174.8	0	0	0	110.9	Y1034 L1094 T1096 V1098 G1138 V1140 W1152 S1179	Y1034-L1066 HydrophobicContact CD1-CD2 3.63Å; Y1034-L1066 HydrophobicContact CD2-CD2 4.38Å; Y1034-L1066 HydrophobicContact CE1-CD2 4.25Å; Y1034-L1066 HydrophobicContact CG-CD2 3.72Å; L1066-L1094 HydrophobicContact CD1-CD2 3.99Å; L1066-T1096 HydrophobicContact CD1-CG2 4.24Å; L1066-V1098 HydrophobicContact CD2-CG2 4.17Å; L1066-G1138 PolarHBondContact N-O 2.86Å; L1066-V1140 HydrophobicContact CD1-CG2 4.16Å; L1066-V1140 HydrophobicContact CD2-CG2 3.76Å; L1066-V1140 HydrophobicContact CG-CG2 3.82Å; L1066-W1152 HydrophobicContact CB-CG 4.23Å; L1066-W1152 PolarHBondContact O-NE1 3.41Å; L1066-S1179 WeakPolarHBondContact O-CB 3.28Å
1067	F	87.1	Confident	66.6	Low	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.7	175.4	55.4	-92.6	0	0	0	109.5	L1094 I1103 L1136 L1137 G1138 W1152 L1154 L1177 C1178	F1067-L1094 HydrophobicContact CE1-CD1 3.81Å; F1067-L1094 HydrophobicContact CE1-CD2 4.05Å; F1067-L1094 HydrophobicContact CZ-CD2 4.46Å; F1067-I1103 HydrophobicContact CZ-CG1 4.39Å; F1067-L1136 HydrophobicContact CD2-CG 4.31Å; F1067-L1136 HydrophobicContact CE2-CD1 3.84Å; F1067-L1136 HydrophobicContact CE2-CD2 4.45Å; F1067-L1136 HydrophobicContact CE2-CG 3.88Å; F1067-L1137 VanDerWaalsContact CE2-C 3.46Å; F1067-G1138 VanDerWaalsContact CZ-CA 3.42Å; F1067-G1138 PolarHBondContact O-N 2.97Å; F1067-W1152 HydrophobicContact CB-CH2 3.87Å; F1067-W1152 HydrophobicContact CB-CZ2 3.66Å; F1067-W1152 HydrophobicContact CB-CZ3 4.33Å; F1067-W1152 AromaticContact CD1-CD2 3.73Å; F1067-W1152 HydrophobicContact CD1-CD2 3.73Å; F1067-W1152 AromaticContact CD1-CE3 3.59Å; F1067-W1152 HydrophobicContact CD1-CE3 3.59Å; F1067-W1152 HydrophobicContact CD1-CG 4.36Å; F1067-W1152 HydrophobicContact CD1-CH2 4.23Å; F1067-W1152 HydrophobicContact CD1-CZ2 4.32Å; F1067-W1152 AromaticContact CD1-CZ3 3.84Å; F1067-W1152 HydrophobicContact CD1-CZ3 3.84Å; F1067-W1152 HydrophobicContact CE1-CE3 4.12Å; F1067-W1152 HydrophobicContact CE1-CZ3 4.5Å; F1067-W1152 HydrophobicContact CG-CE3 4.38Å; F1067-W1152 HydrophobicContact CG-CH2 4.24Å; F1067-W1152 HydrophobicContact CG-CZ2 4.36Å; F1067-W1152 HydrophobicContact CG-CZ3 4.22Å; F1067-L1154 HydrophobicContact CE1-CB 4.31Å; F1067-L1154 HydrophobicContact CE2-CD2 3.89Å; F1067-L1154 HydrophobicContact CZ-CB 4.36Å; F1067-L1154 HydrophobicContact CZ-CD1 4.11Å; F1067-L1154 HydrophobicContact CZ-CD2 3.9Å; F1067-L1154 HydrophobicContact CZ-CG 4.35Å; F1067-L1177 HydrophobicContact CB-CB 4.25Å; F1067-L1177 HydrophobicContact CB-CD1 4.47Å; F1067-L1177 HydrophobicContact CD2-CD1 3.85Å; F1067-L1177 HydrophobicContact CE2-CD1 4.38Å; F1067-L1177 HydrophobicContact CG-CD1 4.19Å; F1067-C1178 CarbonylContact C-O 3.56Å; F1067-C1178 WeakPolarHBondContact CA-O 3.34Å
1068	R	86.3	Confident	66.4	Low	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	124.2	172.6	-175.1	-168.5	67.7	175.3	6.1	110.9	L1065 L1136 L1137 C1178 F1181 L1210 T1212 I1474 N1476	L1065-R1068 HydrophobicContact CD1-CB 4.27Å; R1068-L1136 WeakPolarHBondContact CA-O 3.5Å; R1068-L1137 HydrophobicContact CB-CD2 4.49Å; R1068-L1137 HydrophobicContact CG-CD2 3.72Å; R1068-L1137 HydrophobicContact CG-CG 3.94Å; R1068-C1178 PolarHBondContact N-O 2.82Å; R1068-C1178 WeakPolarHBondContact O-CB 3.38Å; R1068-F1181 HydrophobicContact CB-CE1 3.78Å; R1068-F1181 HydrophobicContact CB-CZ 4.17Å; R1068-L1210 HydrophobicContact CG-CD2 3.76Å; R1068-L1210 HydrophobicContact CG-CG 4.46Å; R1068-L1210 PolarHBondContact NH2-O 3.36Å; R1068-T1212 WeakPolarHBondContact CD-OG1 3.25Å; R1068-T1212 VanDerWaalsContact NH1-N 3.16Å; R1068-T1212 PolarHBondContact NH1-OG1 2.96Å; R1068-I1474 PolarHBondContact NH1-O 2.78Å; R1068-N1476 PolarHBondContact NH2-OD1 3.48Å
1069	D	86.4	Confident	65.8	Low	14 Å²	14	51 Å²	51	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	177	177	-135.9	-58.2	0	0	0	111.6	S1135 L1136 P1170 L1177 C1178	D1069-S1135 CarbonylContact O-C 3.56Å; D1069-S1135 WeakPolarHBondContact O-CA 3.41Å; D1069-L1136 PolarHBondContact N-O 3.26Å; D1069-L1136 PolarHBondContact O-N 3.23Å; D1069-P1170 HydrophobicContact CB-CB 4.22Å; D1069-P1170 WeakPolarHBondContact OD1-CB 3.45Å; D1069-L1177 HydrophobicContact CB-CB 4.37Å; D1069-L1177 HydrophobicContact CB-CD2 3.57Å; D1069-L1177 WeakPolarHBondContact OD2-CA 3.17Å; D1069-C1178 PolarHBondContact OD2-N 3.43Å
1070	C	84.6	Confident	64.8	Low	5 Å²	5	51.8 Å²	51.8	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.7	169.7	-177.5	0	0	0	0	109.8	N1108 Y1134 P1170 I1171	C1070-N1108 PolarHBondContact SG-ND2 3.13Å; C1070-Y1134 CarbonylContact C-O 3.56Å; C1070-Y1134 WeakPolarHBondContact CA-O 3.45Å; C1070-P1170 CarbonylContact O-C 3.43Å; C1070-P1170 VanDerWaalsContact O-CA 3.24Å; C1070-P1170 WeakPolarHBondContact O-CA 3.34Å; C1070-I1171 HydrophobicContact CB-CD1 3.75Å; C1070-I1171 HydrophobicContact CB-CG1 4.19Å; C1070-I1171 WeakPolarHBondContact O-CG1 3.29Å; C1070-I1171 PolarHBondContact O-N 3.3Å
1071	I	83.3	Confident	63.7	Low	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142	-174.9	60.9	168.3	0	0	0	112.6	F1092 L1105 Y1134 L1136 P1168 K1169 L1177	I1071-F1092 HydrophobicContact CD1-CE1 4.28Å; I1071-F1092 HydrophobicContact CD1-CZ 4.32Å; I1071-L1105 HydrophobicContact CD1-CD1 4.39Å; I1071-Y1134 WeakPolarHBondContact CG1-O 3.49Å; I1071-Y1134 PolarHBondContact N-O 2.62Å; I1071-Y1134 PolarHBondContact O-N 3.04Å; I1071-L1136 HydrophobicContact CD1-CB 4.26Å; I1071-L1136 HydrophobicContact CD1-CD2 4.18Å; I1071-L1136 HydrophobicContact CG1-CB 4.27Å; I1071-L1136 HydrophobicContact CG2-CB 4.42Å; I1071-L1136 HydrophobicContact CG2-CD2 4.08Å; I1071-P1168 HydrophobicContact CB-CB 4.08Å; I1071-P1168 HydrophobicContact CD1-CB 3.82Å; I1071-P1168 HydrophobicContact CG1-CB 4.3Å; I1071-K1169 VanDerWaalsContact CA-O 3.29Å; I1071-K1169 WeakPolarHBondContact CA-O 3.36Å; I1071-L1177 HydrophobicContact CG2-CD2 4.45Å
1072	Y	74.7	Confident	61.8	Low	88 Å²	88	59 Å²	59	35%	0.345	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.9	175.6	-74.8	-70.8	0	0	0	112.5	H1131 G1133 P1168 K1169 I1171	Y1072-H1131 WeakPolarHBondContact CE1-O 3.44Å; Y1072-G1133 VanDerWaalsContact CE1-CA 3.47Å; Y1072-G1133 VanDerWaalsContact CE1-N 3.31Å; Y1072-P1168 VanDerWaalsContact O-CA 3.22Å; Y1072-P1168 WeakPolarHBondContact O-CA 3.31Å; Y1072-K1169 PolarHBondContact N-O 3.02Å; Y1072-I1171 HydrophobicContact CD2-CD1 4.21Å; Y1072-I1171 HydrophobicContact CD2-CG1 3.89Å; Y1072-I1171 HydrophobicContact CE2-CD1 3.41Å; Y1072-I1171 VanDerWaalsContact CE2-CD1 3.41Å; Y1072-I1171 HydrophobicContact CE2-CG1 3.54Å
1073	S	62.4	Low	59.9	Low	9 Å²	9	65.5 Å²	65.5	6%	0.063	34%	0.335	C	S	.	.			trans	-70	142.1	166.4	-173.3	0	0	0	0	110.3	T1075 Y1090	S1073-T1075 VanDerWaalsContact C-N 3.27Å; S1073-T1075 PolarHBondContact O-N 3.13Å; S1073-T1075 VanDerWaalsContact O-N 3.1Å; S1073-Y1090 PolarHBondContact OG-OH 2.67Å
1074	S	53.3	Low	57.9	Low	34 Å²	34	70.7 Å²	70.7	24%	0.238	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-79.5	4.6	-158.1	-162.9	0	0	0	0	116.3	M1076 E1165	S1074-M1076 VanDerWaalsContact C-N 3.3Å; S1074-M1076 PolarHBondContact O-N 3.05Å; S1074-E1165 PolarHBondContact OG-O 3.4Å
1075	T	47.8	Very low	56	Low	82 Å²	82	78.9 Å²	78.9	50%	0.503	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-70.3	-22.3	-178.5	49.7	0	0	0	0	113.8	S1073 L1077 V1129	S1073-T1075 VanDerWaalsContact C-N 3.27Å; S1073-T1075 PolarHBondContact O-N 3.13Å; S1073-T1075 VanDerWaalsContact O-N 3.1Å; T1075-L1077 VanDerWaalsContact C-N 3.3Å; T1075-L1077 PolarHBondContact O-N 2.56Å; T1075-V1129 HydrophobicContact CG2-CG2 4.34Å; T1075-V1129 WeakPolarHBondContact OG1-CG2 3.13Å
1076	M	37.5	Very low	54.4	Low	108 Å²	108	85.5 Å²	85.5	53%	0.532	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-76.1	0.5	-174.2	-81.9	-71.6	177.4	0	0	116.3	S1074 V1129	S1074-M1076 VanDerWaalsContact C-N 3.3Å; S1074-M1076 PolarHBondContact O-N 3.05Å; M1076-V1129 HydrophobicContact CE-CG1 3.91Å; M1076-V1129 HydrophobicContact CG-CG1 4.49Å
1077	L	38.9	Very low	53.3	Low	142 Å²	142	89.8 Å²	89.8	74%	0.743	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-114.1	4.3	-165.3	-98.4	168.8	0	0	0	117.4	T1075	T1075-L1077 VanDerWaalsContact C-N 3.3Å; T1075-L1077 PolarHBondContact O-N 2.56Å
1078	K	35.8	Very low	52.2	Low	159 Å²	159	91.5 Å²	91.5	69%	0.691	46%	0.462	S	S	*	.			trans	-136.9	107.4	176.9	-69	-180	-175.3	169.4	0	111.8	E1165	K1078-E1165 IonicContact NZ-OE2 3.31Å; K1078-E1165 PolarHBondContact NZ-OE2 3.3Å
1079	N	28	Very low	51.6	Low	114 Å²	114	96.5 Å²	96.5	61%	0.61	48%	0.484	S	S	*	.			trans	-66.8	136.2	170.6	-84.8	-1.4	0	0	0	111.3	L1281	N1079-L1281 HydrophobicContact CB-CD1 4.26Å
1080	E	27.5	Very low	51.3	Low	95 Å²	95	96 Å²	96	44%	0.444	48%	0.481	S	S	.	.	S	Bend	trans	65.2	77.6	177	-54.9	168.2	-155.1	0	0	115.6	K1280	E1080-K1280 WeakPolarHBondContact OE1-CD 3.2Å; E1080-K1280 VanDerWaalsContact OE1-CG 3.31Å; E1080-K1280 WeakPolarHBondContact OE1-CG 3.33Å; E1080-K1280 PolarHBondContact OE1-N 3.04Å; E1080-K1280 VanDerWaalsContact OE2-CD 3.3Å; E1080-K1280 WeakPolarHBondContact OE2-CD 3.03Å; E1080-K1280 WeakPolarHBondContact OE2-CE 3.45Å; E1080-K1280 IonicContact OE2-NZ 2.74Å; E1080-K1280 PolarHBondContact OE2-NZ 2.87Å
1081	V	31	Very low	51.1	Low	123 Å²	123	95.8 Å²	95.8	75%	0.745	48%	0.48	S	S	*	.				-151.3	134.5	112	175.9	0	0	0	0	107.9	I1083	V1081-I1083 HydrophobicContact CG1-CG1 4.08Å; V1081-I1083 PolarHBondContact O-N 3.21Å
1082	M	26.5	Very low	51.2	Low	186 Å²	186	95.7 Å²	95.7	92%	0.916	48%	0.479	S	S	*	.			trans	-76.6	106.4	170.2	-71.6	-70.6	-71.1	0	0	110.1
1083	I	35.7	Very low	51.5	Low	146 Å²	146	92.8 Å²	92.8	75%	0.749	47%	0.468	S	S	*	.			trans	-111.9	144.4	162.5	-58.4	-178.9	0	0	0	106.9	V1081	V1081-I1083 HydrophobicContact CG1-CG1 4.08Å; V1081-I1083 PolarHBondContact O-N 3.21Å
1084	N	35.8	Very low	52.5	Low	129 Å²	129	93 Å²	93	69%	0.69	47%	0.468	S	S	*	.			trans	-63.9	164	-166.8	-60.7	-33.1	0	0	0	114	E1086	N1084-E1086 PolarHBondContact O-N 3.3Å
1085	E	43.5	Very low	53.9	Low	203 Å²	203	93.5 Å²	93.5	95%	0.949	47%	0.466	S	S	*	.			trans	-70.2	56	-178.7	-57	178.8	138.6	0	0	113.7
1086	E	51.8	Low	55.6	Low	156 Å²	156	91.4 Å²	91.4	73%	0.729	45%	0.453	S	S	*	.			trans	-79	121.5	178.1	-64.5	-169.4	168.7	0	0	111.3	N1084 V1088	N1084-E1086 PolarHBondContact O-N 3.3Å; E1086-V1088 PolarHBondContact O-N 3.33Å
1087	E	60.8	Low	57.4	Low	90 Å²	90	91 Å²	91	42%	0.421	46%	0.457	S	S	.	.			trans	-64.5	107.2	178.7	-68.1	-169.4	152.4	0	0	111.1	K1089 N1126 K1128	E1087-K1089 PolarHBondContact O-N 3.26Å; E1087-N1126 HydrophobicContact CB-CB 4.13Å; E1087-N1126 PolarHBondContact OE2-ND2 3.13Å; E1087-K1128 WeakPolarHBondContact OE1-CE 3.14Å; E1087-K1128 IonicContact OE1-NZ 3.9Å
1088	V	64.6	Low	59.2	Low	37 Å²	37	84.7 Å²	84.7	22%	0.224	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.5	-175.2	-167.6	0	0	0	0	110.2	E1086 Y1090 L1127 P1159	E1086-V1088 PolarHBondContact O-N 3.33Å; V1088-Y1090 HydrophobicContact CB-CE2 3.71Å; V1088-Y1090 HydrophobicContact CG1-CD2 4.44Å; V1088-Y1090 HydrophobicContact CG1-CE1 3.87Å; V1088-Y1090 HydrophobicContact CG1-CE2 3.69Å; V1088-Y1090 WeakPolarHBondContact CG1-OH 3.31Å; V1088-Y1090 WeakPolarHBondContact O-CD2 3.46Å; V1088-L1127 PolarHBondContact O-N 3.38Å; V1088-P1159 HydrophobicContact CG1-CG 3.67Å
1089	K	73.5	Confident	60.8	Low	104 Å²	104	81.3 Å²	81.3	45%	0.452	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.9	-178.6	-52	-155.7	177.9	-163.5	0	111.1	E1087 W1124 L1125 N1126 P1159	E1087-K1089 PolarHBondContact O-N 3.26Å; K1089-W1124 HydrophobicContact CB-CE3 3.72Å; K1089-W1124 HydrophobicContact CB-CZ3 4.12Å; K1089-L1125 WeakPolarHBondContact CA-O 3.31Å; K1089-N1126 VanDerWaalsContact CD-OD1 3.31Å; K1089-N1126 WeakPolarHBondContact CD-OD1 3.38Å; K1089-N1126 WeakPolarHBondContact CE-OD1 3.44Å; K1089-N1126 WeakPolarHBondContact CG-OD1 3.21Å; K1089-P1159 WeakPolarHBondContact O-CD 3.35Å
1090	Y	80.2	Confident	63.1	Low	3 Å²	3	80.9 Å²	80.9	1%	0.012	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	161.8	175.2	-59.8	-74.9	0	0	0	111	S1073 V1088 L1125 L1127 L1157 N1166 L1167 P1168	S1073-Y1090 PolarHBondContact OG-OH 2.67Å; V1088-Y1090 HydrophobicContact CB-CE2 3.71Å; V1088-Y1090 HydrophobicContact CG1-CD2 4.44Å; V1088-Y1090 HydrophobicContact CG1-CE1 3.87Å; V1088-Y1090 HydrophobicContact CG1-CE2 3.69Å; V1088-Y1090 WeakPolarHBondContact CG1-OH 3.31Å; V1088-Y1090 WeakPolarHBondContact O-CD2 3.46Å; Y1090-L1125 PolarHBondContact N-O 3.32Å; Y1090-L1125 PolarHBondContact O-N 3.45Å; Y1090-L1127 HydrophobicContact CD2-CB 3.79Å; Y1090-L1127 HydrophobicContact CD2-CD1 3.68Å; Y1090-L1127 HydrophobicContact CD2-CG 3.84Å; Y1090-L1127 HydrophobicContact CE2-CB 4.03Å; Y1090-L1127 HydrophobicContact CE2-CD1 4.3Å; Y1090-L1127 HydrophobicContact CG-CD1 4.37Å; Y1090-L1157 CarbonylContact C-O 3.53Å; Y1090-L1157 WeakPolarHBondContact CA-O 3.38Å; Y1090-N1166 PolarHBondContact OH-O 3.18Å; Y1090-N1166 VanDerWaalsContact OH-O 3.11Å; Y1090-L1167 HydrophobicContact CD1-CD2 4.17Å; Y1090-L1167 HydrophobicContact CE1-CD2 4.12Å; Y1090-P1168 HydrophobicContact CD1-CG 4.17Å; Y1090-P1168 HydrophobicContact CD2-CG 4.41Å; Y1090-P1168 HydrophobicContact CE1-CG 3.91Å; Y1090-P1168 HydrophobicContact CE2-CG 4.11Å; Y1090-P1168 HydrophobicContact CG-CG 4.4Å
1091	S	79.8	Confident	65.7	Low	1 Å²	1	77.6 Å²	77.6	1%	0.007	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.1	170.4	-167.8	0	0	0	0	110.1	Y1122 S1123 L1157	S1091-Y1122 WeakPolarHBondContact OG-CB 3.21Å; S1091-S1123 WeakPolarHBondContact CB-O 3.16Å; S1091-S1123 PolarHBondContact OG-O 3.03Å; S1091-L1157 PolarHBondContact N-O 2.73Å; S1091-L1157 WeakPolarHBondContact O-CB 3.33Å; S1091-L1157 PolarHBondContact O-N 3.03Å
1092	F	84.9	Confident	68.4	Low	1 Å²	1	73.3 Å²	73.3	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.7	-169.8	-65.1	-102.3	0	0	0	109.3	I1071 I1103 L1105 P1116 L1125 L1127 L1136 L1156	I1071-F1092 HydrophobicContact CD1-CE1 4.28Å; I1071-F1092 HydrophobicContact CD1-CZ 4.32Å; F1092-I1103 HydrophobicContact CB-CD1 3.73Å; F1092-L1105 HydrophobicContact CE1-CD1 3.79Å; F1092-L1105 HydrophobicContact CE2-CD1 4.41Å; F1092-L1105 HydrophobicContact CE2-CD2 4.4Å; F1092-L1105 HydrophobicContact CZ-CD1 3.69Å; F1092-L1105 HydrophobicContact CZ-CD2 4.02Å; F1092-P1116 HydrophobicContact CB-CB 4.33Å; F1092-P1116 HydrophobicContact CB-CG 4.18Å; F1092-P1116 HydrophobicContact CD2-CB 4.05Å; F1092-P1116 HydrophobicContact CD2-CG 4.09Å; F1092-P1116 HydrophobicContact CG-CB 4.48Å; F1092-P1116 HydrophobicContact CG-CG 4.21Å; F1092-L1125 HydrophobicContact CE2-CD2 4.32Å; F1092-L1127 HydrophobicContact CZ-CD1 4.34Å; F1092-L1136 HydrophobicContact CD1-CD1 4.37Å; F1092-L1136 HydrophobicContact CE1-CD1 4.16Å; F1092-L1156 HydrophobicContact CD1-CD1 3.93Å; F1092-L1156 HydrophobicContact CD2-CD1 4.48Å; F1092-L1156 HydrophobicContact CE1-CD1 3.66Å; F1092-L1156 HydrophobicContact CE2-CD1 4.22Å; F1092-L1156 HydrophobicContact CG-CD1 4.34Å; F1092-L1156 HydrophobicContact CZ-CD1 3.81Å
1093	R	81.1	Confident	71.3	Confident	27 Å²	27	64.5 Å²	64.5	10%	0.102	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.1	175.7	-166.4	-166.7	-177.7	-164.6	-13.1	111.2	D901 D903 Y1122 L1154 Q1155	D901-R1093 VanDerWaalsContact CG-NH1 3.28Å; D901-R1093 IonicContact OD1-CZ 2.81Å; D901-R1093 IonicContact OD1-NH1 3.57Å; D901-R1093 PolarHBondContact OD1-NH1 3.03Å; D901-R1093 IonicContact OD1-NH2 2.73Å; D901-R1093 IonicContact OD2-CZ 2.71Å; D901-R1093 VanDerWaalsContact OD2-CZ 3.31Å; D901-R1093 IonicContact OD2-NH1 2.69Å; D901-R1093 PolarHBondContact OD2-NH1 3.14Å; D901-R1093 VanDerWaalsContact OD2-NH1 3.08Å; D901-R1093 IonicContact OD2-NH2 2.65Å; D901-R1093 PolarHBondContact OD2-NH2 3.19Å; D903-R1093 IonicContact OD1-NH1 3.54Å; D903-R1093 PolarHBondContact OD1-NH1 3.23Å; D903-R1093 IonicContact OD2-CZ 3.18Å; D903-R1093 IonicContact OD2-NH1 3.52Å; D903-R1093 PolarHBondContact OD2-NH1 3.23Å; R1093-Y1122 HydrophobicContact CB-CE1 4.41Å; R1093-Y1122 VanDerWaalsContact CD-CE1 3.5Å; R1093-Y1122 WeakPolarHBondContact CD-OH 3.44Å; R1093-Y1122 HydrophobicContact CG-CD1 4.49Å; R1093-Y1122 HydrophobicContact CG-CE1 3.9Å; R1093-Y1122 PolarHBondContact NH1-OH 2.94Å; R1093-Y1122 VanDerWaalsContact NH1-OH 3.15Å; R1093-L1154 CarbonylContact O-C 3.57Å; R1093-L1154 WeakPolarHBondContact O-CA 3.47Å; R1093-Q1155 HydrophobicContact CB-CB 4.35Å; R1093-Q1155 VanDerWaalsContact CD-OE1 3.28Å; R1093-Q1155 PolarHBondContact N-O 3.16Å; R1093-Q1155 PolarHBondContact O-N 3.41Å
1094	L	84.8	Confident	73.7	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119	177	171.8	59.9	0	0	0	109.9	L1066 F1067 T1096 I1103 I1118 W1152 N1153 L1154	L1066-L1094 HydrophobicContact CD1-CD2 3.99Å; F1067-L1094 HydrophobicContact CE1-CD1 3.81Å; F1067-L1094 HydrophobicContact CE1-CD2 4.05Å; F1067-L1094 HydrophobicContact CZ-CD2 4.46Å; L1094-T1096 HydrophobicContact CD2-CG2 4.43Å; L1094-T1096 HydrophobicContact CG-CG2 4.2Å; L1094-I1103 HydrophobicContact CB-CD1 3.94Å; L1094-I1103 HydrophobicContact CB-CG1 4.1Å; L1094-I1103 HydrophobicContact CD2-CG1 4.2Å; L1094-I1118 HydrophobicContact CB-CG2 3.63Å; L1094-I1118 VanDerWaalsContact N-CG2 3.27Å; L1094-W1152 HydrophobicContact CD1-CB 4.01Å; L1094-N1153 WeakPolarHBondContact CA-O 3.31Å; L1094-L1154 HydrophobicContact CB-CD1 4.12Å
1095	K	82.1	Confident	76.2	Confident	43 Å²	43	51.7 Å²	51.7	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.1	166.6	-64.5	168.1	179.6	165.8	0	107.6	D829 D901 D903 W1152 N1153	D829-K1095 IonicContact OD2-NZ 2.72Å; D829-K1095 PolarHBondContact OD2-NZ 3Å; D901-K1095 IonicContact OD1-NZ 2.67Å; D901-K1095 VanDerWaalsContact OD2-CE 3.29Å; D901-K1095 WeakPolarHBondContact OD2-CE 3.28Å; D901-K1095 IonicContact OD2-NZ 2.69Å; D903-K1095 WeakPolarHBondContact OD2-CE 3.36Å; D903-K1095 IonicContact OD2-NZ 3.13Å; D903-K1095 PolarHBondContact OD2-NZ 2.92Å; K1095-W1152 CarbonylContact O-C 3.56Å; K1095-W1152 WeakPolarHBondContact O-CA 3.16Å; K1095-N1153 HydrophobicContact CB-CB 4.45Å; K1095-N1153 PolarHBondContact N-O 3.39Å; K1095-N1153 PolarHBondContact O-N 2.88Å
1096	T	83	Confident	78.2	Confident	38 Å²	38	42.7 Å²	42.7	23%	0.233	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.7	177.2	-178.6	0	0	0	0	110.8	L1066 L1094 V1098 S1101 K1151	L1066-T1096 HydrophobicContact CD1-CG2 4.24Å; L1094-T1096 HydrophobicContact CD2-CG2 4.43Å; L1094-T1096 HydrophobicContact CG-CG2 4.2Å; T1096-V1098 HydrophobicContact CG2-CB 4.19Å; T1096-V1098 PolarHBondContact O-N 2.93Å; T1096-V1098 PolarHBondContact OG1-N 2.96Å; T1096-S1101 WeakPolarHBondContact CG2-OG 3.42Å; T1096-K1151 PolarHBondContact OG1-O 3.21Å
1097	T	74.8	Confident	79.8	Confident	101 Å²	101	36 Å²	36	62%	0.62	19%	0.193	S	C	*	.	S	Bend	trans	-79.8	-1	173.1	38.9	0	0	0	0	113.7	Y1034 K1151	Y1034-T1097 PolarHBondContact OH-OG1 3.1Å; T1097-K1151 PolarHBondContact N-O 3.1Å
1098	V	76.8	Confident	80.9	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.048	18%	0.184	C	C	.	.			trans	-96.1	122.7	-179	-176.8	0	0	0	0	110.9	Y1034 L1066 T1096 V1140 I1147	Y1034-V1098 HydrophobicContact CD1-CG2 4.41Å; Y1034-V1098 HydrophobicContact CD2-CG2 4.48Å; Y1034-V1098 HydrophobicContact CE1-CG2 3.61Å; Y1034-V1098 HydrophobicContact CE2-CG2 3.74Å; Y1034-V1098 VanDerWaalsContact OH-CG2 3.27Å; Y1034-V1098 WeakPolarHBondContact OH-CG2 3.07Å; L1066-V1098 HydrophobicContact CD2-CG2 4.17Å; T1096-V1098 HydrophobicContact CG2-CB 4.19Å; T1096-V1098 PolarHBondContact O-N 2.93Å; T1096-V1098 PolarHBondContact OG1-N 2.96Å; V1098-V1140 HydrophobicContact CB-CG2 4.29Å; V1098-V1140 HydrophobicContact CG1-CB 4.13Å; V1098-V1140 HydrophobicContact CG1-CG1 3.46Å; V1098-V1140 VanDerWaalsContact CG1-CG1 3.46Å; V1098-V1140 HydrophobicContact CG1-CG2 3.57Å; V1098-V1140 HydrophobicContact CG2-CG2 4.39Å; V1098-I1147 HydrophobicContact CG1-CD1 3.66Å; V1098-I1147 HydrophobicContact CG2-CG2 4.36Å
1099	S	70.3	Confident	81.6	Confident	89 Å²	89	34.9 Å²	34.9	62%	0.622	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	155.3	165.5	46.6	0	0	0	0	111.1	S1101	S1099-S1101 PolarHBondContact O-N 3.05Å
1100	N	77.2	Confident	81.8	Confident	104 Å²	104	34.6 Å²	34.6	56%	0.556	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	23.3	180	-54.6	-10.1	0	0	0	115.1	N1141	N1100-N1141 HydrophobicContact CB-CB 4.17Å; N1100-N1141 WeakPolarHBondContact O-CB 3.43Å; N1100-N1141 PolarHBondContact O-N 3.03Å
1101	S	81.8	Confident	81.5	Confident	26 Å²	26	36.6 Å²	36.6	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.9	170.2	69.6	0	0	0	0	112.1	T1096 S1099 I1139	T1096-S1101 WeakPolarHBondContact CG2-OG 3.42Å; S1099-S1101 PolarHBondContact O-N 3.05Å; S1101-I1139 CarbonylContact C-O 3.53Å; S1101-I1139 VanDerWaalsContact CA-O 3.23Å; S1101-I1139 WeakPolarHBondContact CA-O 3.36Å
1102	Y	86.3	Confident	81.6	Confident	34 Å²	34	41.3 Å²	41.3	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165.2	171.9	63.9	-80.4	0	0	0	113.5	L1104 Q1115 I1118 I1139 N1141	Y1102-L1104 HydrophobicContact CE2-CD1 4.2Å; Y1102-Q1115 HydrophobicContact CD2-CG 4.4Å; Y1102-I1118 VanDerWaalsContact CA-CD1 3.41Å; Y1102-I1139 HydrophobicContact CD1-CB 4.37Å; Y1102-I1139 HydrophobicContact CD1-CG2 4.37Å; Y1102-I1139 HydrophobicContact CD2-CB 4.49Å; Y1102-I1139 HydrophobicContact CE1-CB 3.99Å; Y1102-I1139 HydrophobicContact CE1-CG2 3.59Å; Y1102-I1139 HydrophobicContact CE2-CB 4.13Å; Y1102-I1139 HydrophobicContact CE2-CD1 4Å; Y1102-I1139 HydrophobicContact CE2-CG2 4.33Å; Y1102-I1139 PolarHBondContact N-O 2.82Å; Y1102-I1139 PolarHBondContact O-N 3.44Å; Y1102-N1141 HydrophobicContact CD1-CB 4.25Å; Y1102-N1141 HydrophobicContact CE1-CB 3.84Å
1103	I	87.3	Confident	81.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.1	176.1	-56.5	172.1	0	0	0	108.3	F1067 F1092 L1094 P1116 I1118 L1136 L1137 L1154	F1067-I1103 HydrophobicContact CZ-CG1 4.39Å; F1092-I1103 HydrophobicContact CB-CD1 3.73Å; L1094-I1103 HydrophobicContact CB-CD1 3.94Å; L1094-I1103 HydrophobicContact CB-CG1 4.1Å; L1094-I1103 HydrophobicContact CD2-CG1 4.2Å; I1103-P1116 HydrophobicContact CB-CG 3.98Å; I1103-P1116 HydrophobicContact CG2-CG 3.82Å; I1103-I1118 HydrophobicContact CB-CD1 4.3Å; I1103-I1118 HydrophobicContact CD1-CD1 4.33Å; I1103-I1118 HydrophobicContact CD1-CG1 4.02Å; I1103-I1118 HydrophobicContact CD1-CG2 4.37Å; I1103-I1118 HydrophobicContact CG1-CD1 3.87Å; I1103-I1118 HydrophobicContact CG1-CG1 4.1Å; I1103-L1136 HydrophobicContact CG2-CD1 3.68Å; I1103-L1137 CarbonylContact C-O 3.56Å; I1103-L1137 WeakPolarHBondContact CA-O 3.36Å; I1103-L1154 HydrophobicContact CD1-CD1 3.44Å; I1103-L1154 VanDerWaalsContact CD1-CD1 3.44Å; I1103-L1154 HydrophobicContact CG1-CD1 4.29Å
1104	L	87.4	Confident	81.7	Confident	7 Å²	7	46 Å²	46	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126	168.9	-151.4	72.9	0	0	0	109.1	Y1102 I1106 I1113 L1137 I1139 Y1247	Y1102-L1104 HydrophobicContact CE2-CD1 4.2Å; L1104-I1106 HydrophobicContact CD2-CD1 3.84Å; L1104-I1106 HydrophobicContact CD2-CG1 4.04Å; L1104-I1106 HydrophobicContact CG-CG1 4.28Å; L1104-I1113 HydrophobicContact CD1-CG2 3.45Å; L1104-I1113 VanDerWaalsContact CD1-CG2 3.45Å; L1104-I1113 HydrophobicContact CD2-CG2 4Å; L1104-I1113 HydrophobicContact CG-CG2 3.74Å; L1104-L1137 HydrophobicContact CB-CB 4.25Å; L1104-L1137 HydrophobicContact CB-CD1 4.13Å; L1104-L1137 HydrophobicContact CD2-CD1 4.32Å; L1104-L1137 PolarHBondContact N-O 3.3Å; L1104-L1137 PolarHBondContact O-N 3.21Å; L1104-I1139 HydrophobicContact CB-CD1 3.99Å; L1104-I1139 HydrophobicContact CD2-CD1 3.95Å; L1104-Y1247 HydrophobicContact CD2-CD1 3.87Å; L1104-Y1247 HydrophobicContact CD2-CD2 4.09Å; L1104-Y1247 HydrophobicContact CD2-CE1 4.32Å; L1104-Y1247 HydrophobicContact CD2-CG 3.74Å
1105	L	87.2	Confident	81.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.5	161.7	-123.7	75.1	0	0	0	107.9	I1071 F1092 I1114 L1125 L1127 Y1134 S1135 L1136	I1071-L1105 HydrophobicContact CD1-CD1 4.39Å; F1092-L1105 HydrophobicContact CE1-CD1 3.79Å; F1092-L1105 HydrophobicContact CE2-CD1 4.41Å; F1092-L1105 HydrophobicContact CE2-CD2 4.4Å; F1092-L1105 HydrophobicContact CZ-CD1 3.69Å; F1092-L1105 HydrophobicContact CZ-CD2 4.02Å; L1105-I1114 HydrophobicContact CB-CB 4.12Å; L1105-I1114 PolarHBondContact N-O 3.48Å; L1105-I1114 PolarHBondContact O-N 2.88Å; L1105-L1125 HydrophobicContact CD2-CD2 4.35Å; L1105-L1127 HydrophobicContact CD2-CD1 3.86Å; L1105-L1127 HydrophobicContact CD2-CD2 3.71Å; L1105-L1127 HydrophobicContact CD2-CG 4.46Å; L1105-Y1134 HydrophobicContact CD2-CD1 3.9Å; L1105-Y1134 HydrophobicContact CD2-CG 4.06Å; L1105-Y1134 HydrophobicContact CG-CD1 4.42Å; L1105-S1135 CarbonylContact C-O 3.53Å; L1105-S1135 WeakPolarHBondContact CA-O 3.41Å; L1105-L1136 HydrophobicContact CD1-CB 4.09Å; L1105-L1136 HydrophobicContact CD1-CD1 3.56Å; L1105-L1136 HydrophobicContact CD1-CG 4.38Å
1106	I	86	Confident	81.4	Confident	13 Å²	13	49.5 Å²	49.5	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	170.9	-58.1	179.1	0	0	0	107.6	L1104 N1108 E1112 I1113 Y1134 S1135 L1137 Y1247 A1248	L1104-I1106 HydrophobicContact CD2-CD1 3.84Å; L1104-I1106 HydrophobicContact CD2-CG1 4.04Å; L1104-I1106 HydrophobicContact CG-CG1 4.28Å; I1106-N1108 PolarHBondContact O-N 2.97Å; I1106-N1108 PolarHBondContact O-OD1 3.47Å; I1106-E1112 WeakPolarHBondContact CA-O 3.35Å; I1106-I1113 HydrophobicContact CG1-CG1 4.22Å; I1106-I1113 HydrophobicContact CG1-CG2 4.49Å; I1106-Y1134 CarbonylContact O-C 3.58Å; I1106-Y1134 WeakPolarHBondContact O-CA 3.37Å; I1106-S1135 PolarHBondContact N-O 3.38Å; I1106-S1135 PolarHBondContact O-N 2.86Å; I1106-L1137 HydrophobicContact CD1-CD1 4.08Å; I1106-L1137 HydrophobicContact CG1-CD1 4.33Å; I1106-Y1247 HydrophobicContact CD1-CG 4.39Å; I1106-A1248 HydrophobicContact CD1-CB 3.97Å
1107	N	86.1	Confident	80.9	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.8	174.2	179.9	-8.3	0	0	0	109.6	D1109 N1110 G1111 E1112 N1130 Y1134	N1107-D1109 VanDerWaalsContact C-N 3.28Å; N1107-D1109 PolarHBondContact O-N 3.45Å; N1107-D1109 WeakPolarHBondContact OD1-CB 3.46Å; N1107-D1109 PolarHBondContact OD1-N 2.91Å; N1107-N1110 WeakPolarHBondContact CB-OD1 3.35Å; N1107-N1110 PolarHBondContact ND2-OD1 2.95Å; N1107-N1110 PolarHBondContact O-N 3.45Å; N1107-G1111 VanDerWaalsContact O-CA 3.29Å; N1107-G1111 WeakPolarHBondContact O-CA 3.32Å; N1107-G1111 PolarHBondContact O-N 3.12Å; N1107-E1112 HydrophobicContact CB-CB 4.1Å; N1107-E1112 PolarHBondContact N-O 3.38Å; N1107-N1130 PolarHBondContact OD1-ND2 3.37Å; N1107-Y1134 HydrophobicContact CB-CD1 3.82Å; N1107-Y1134 HydrophobicContact CB-CE1 3.6Å
1108	N	82.7	Confident	80.5	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.23	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.3	-176.8	-57.2	-21.1	0	0	0	113.2	C1070 I1106 H1132 G1133 S1135	C1070-N1108 PolarHBondContact SG-ND2 3.13Å; I1106-N1108 PolarHBondContact O-N 2.97Å; I1106-N1108 PolarHBondContact O-OD1 3.47Å; N1108-H1132 HydrophobicContact CB-CB 3.69Å; N1108-H1132 PolarHBondContact ND2-O 3.49Å; N1108-G1133 WeakPolarHBondContact CB-O 3.43Å; N1108-G1133 PolarHBondContact N-O 2.87Å; N1108-G1133 PolarHBondContact ND2-O 3.33Å; N1108-S1135 PolarHBondContact ND2-OG 3.41Å; N1108-S1135 WeakPolarHBondContact OD1-CB 3.2Å; N1108-S1135 PolarHBondContact OD1-N 3.27Å; N1108-S1135 PolarHBondContact OD1-OG 2.77Å
1109	D	79.3	Confident	79.7	Confident	62 Å²	62	54 Å²	54	33%	0.332	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-29.8	176.6	-81.7	-0.3	0	0	0	112.6	N1107 N1130 H1131 H1132	N1107-D1109 VanDerWaalsContact C-N 3.28Å; N1107-D1109 PolarHBondContact O-N 3.45Å; N1107-D1109 WeakPolarHBondContact OD1-CB 3.46Å; N1107-D1109 PolarHBondContact OD1-N 2.91Å; D1109-N1130 PolarHBondContact OD1-OD1 3.44Å; D1109-N1130 PolarHBondContact OD2-OD1 3.38Å; D1109-H1131 PolarHBondContact OD1-N 2.87Å; D1109-H1131 IonicContact OD2-CG 3.25Å; D1109-H1131 PolarHBondContact OD2-N 3.23Å; D1109-H1131 IonicContact OD2-ND1 3.06Å; D1109-H1131 PolarHBondContact OD2-ND1 3.41Å; D1109-H1132 WeakPolarHBondContact OD1-CB 3.3Å; D1109-H1132 IonicContact OD1-CE1 3.72Å; D1109-H1132 IonicContact OD1-CG 2.61Å; D1109-H1132 PolarHBondContact OD1-N 3.07Å; D1109-H1132 IonicContact OD1-ND1 2.96Å; D1109-H1132 PolarHBondContact OD1-ND1 3.14Å
1110	N	78.5	Confident	78.6	Confident	97 Å²	97	56.7 Å²	56.7	52%	0.519	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-2	-174	73.6	-7.4	0	0	0	115.8	N1107 E1112	N1107-N1110 WeakPolarHBondContact CB-OD1 3.35Å; N1107-N1110 PolarHBondContact ND2-OD1 2.95Å; N1107-N1110 PolarHBondContact O-N 3.45Å; N1110-E1112 VanDerWaalsContact C-N 3.28Å; N1110-E1112 PolarHBondContact ND2-OE2 3.19Å; N1110-E1112 PolarHBondContact O-N 3.43Å; N1110-E1112 WeakPolarHBondContact OD1-CB 3.35Å; N1110-E1112 PolarHBondContact OD1-N 2.86Å
1111	G	74	Confident	76.9	Confident	45 Å²	45	56.7 Å²	56.7	46%	0.464	30%	0.3	S	S	.	.			trans	76	5.2	-177.8	0	0	0	0	0	115.5	N1107 I1113	N1107-G1111 VanDerWaalsContact O-CA 3.29Å; N1107-G1111 WeakPolarHBondContact O-CA 3.32Å; N1107-G1111 PolarHBondContact O-N 3.12Å; G1111-I1113 PolarHBondContact O-N 3.4Å
1112	E	81	Confident	75.9	Confident	101 Å²	101	57.3 Å²	57.3	47%	0.472	30%	0.298	S	S	.	.			trans	-66.3	123.7	-175.6	-176.3	179.6	-177.2	0	0	111.7	I1106 N1107 N1110 I1114	I1106-E1112 WeakPolarHBondContact CA-O 3.35Å; N1107-E1112 HydrophobicContact CB-CB 4.1Å; N1107-E1112 PolarHBondContact N-O 3.38Å; N1110-E1112 VanDerWaalsContact C-N 3.28Å; N1110-E1112 PolarHBondContact ND2-OE2 3.19Å; N1110-E1112 PolarHBondContact O-N 3.43Å; N1110-E1112 WeakPolarHBondContact OD1-CB 3.35Å; N1110-E1112 PolarHBondContact OD1-N 2.86Å; E1112-I1114 HydrophobicContact CG-CG1 4.38Å
1113	I	83.2	Confident	75	Confident	96 Å²	96	57.6 Å²	57.6	49%	0.492	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.3	-178.6	-54.2	-173.9	0	0	0	109.4	L1104 I1106 G1111 Y1247	L1104-I1113 HydrophobicContact CD1-CG2 3.45Å; L1104-I1113 VanDerWaalsContact CD1-CG2 3.45Å; L1104-I1113 HydrophobicContact CD2-CG2 4Å; L1104-I1113 HydrophobicContact CG-CG2 3.74Å; I1106-I1113 HydrophobicContact CG1-CG1 4.22Å; I1106-I1113 HydrophobicContact CG1-CG2 4.49Å; G1111-I1113 PolarHBondContact O-N 3.4Å; I1113-Y1247 HydrophobicContact CD1-CD2 4.3Å; I1113-Y1247 HydrophobicContact CD1-CE2 4.49Å
1114	I	85.3	Confident	74.3	Confident	29 Å²	29	63.4 Å²	63.4	15%	0.149	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.5	-179.8	-54	164.5	0	0	0	108.9	L1105 E1112 P1116 L1125 L1127 Y1134	L1105-I1114 HydrophobicContact CB-CB 4.12Å; L1105-I1114 PolarHBondContact N-O 3.48Å; L1105-I1114 PolarHBondContact O-N 2.88Å; E1112-I1114 HydrophobicContact CG-CG1 4.38Å; I1114-P1116 VanDerWaalsContact O-CD 3.31Å; I1114-P1116 WeakPolarHBondContact O-CD 3.46Å; I1114-L1125 HydrophobicContact CD1-CD2 4.46Å; I1114-L1125 HydrophobicContact CG2-CD1 3.68Å; I1114-L1125 HydrophobicContact CG2-CD2 3.63Å; I1114-L1125 HydrophobicContact CG2-CG 4.32Å; I1114-L1127 HydrophobicContact CD1-CD2 4.38Å; I1114-Y1134 HydrophobicContact CD1-CE1 4.4Å
1115	Q	82.8	Confident	73.7	Confident	126 Å²	126	64.7 Å²	64.7	59%	0.589	33%	0.334	S	S	*	.			trans	-107.7	94.3	175.1	-177.1	170.7	-9.6	0	0	109.1	Y1102	Y1102-Q1115 HydrophobicContact CD2-CG 4.4Å
1116	P	77.6	Confident	73.3	Confident	6 Å²	6	67.6 Å²	67.6	4%	0.039	35%	0.35	C	S	.	.			trans	-67.6	144.5	178	28.3	-33.7	0	0	0	110.8	F1092 I1103 I1114 I1118	F1092-P1116 HydrophobicContact CB-CB 4.33Å; F1092-P1116 HydrophobicContact CB-CG 4.18Å; F1092-P1116 HydrophobicContact CD2-CB 4.05Å; F1092-P1116 HydrophobicContact CD2-CG 4.09Å; F1092-P1116 HydrophobicContact CG-CB 4.48Å; F1092-P1116 HydrophobicContact CG-CG 4.21Å; I1103-P1116 HydrophobicContact CB-CG 3.98Å; I1103-P1116 HydrophobicContact CG2-CG 3.82Å; I1114-P1116 VanDerWaalsContact O-CD 3.31Å; I1114-P1116 WeakPolarHBondContact O-CD 3.46Å; P1116-I1118 WeakPolarHBondContact O-CG1 3.48Å
1117	S	72.4	Confident	72.8	Confident	52 Å²	52	67.2 Å²	67.2	36%	0.364	35%	0.347	S	S	.	.			trans	-69.2	141.4	171.5	-169.1	0	0	0	0	110.7	S1123	S1117-S1123 WeakPolarHBondContact CA-OG 3.26Å; S1117-S1123 VanDerWaalsContact CB-OG 3.31Å; S1117-S1123 WeakPolarHBondContact CB-OG 3.33Å; S1117-S1123 PolarHBondContact N-OG 2.97Å
1118	I	67.6	Low	72.2	Confident	27 Å²	27	72.5 Å²	72.5	14%	0.138	37%	0.37	C	S	.	.			trans	-119.1	-34.8	-167.6	-45.1	170.9	0	0	0	109.9	L1094 Y1102 I1103 P1116	L1094-I1118 HydrophobicContact CB-CG2 3.63Å; L1094-I1118 VanDerWaalsContact N-CG2 3.27Å; Y1102-I1118 VanDerWaalsContact CA-CD1 3.41Å; I1103-I1118 HydrophobicContact CB-CD1 4.3Å; I1103-I1118 HydrophobicContact CD1-CD1 4.33Å; I1103-I1118 HydrophobicContact CD1-CG1 4.02Å; I1103-I1118 HydrophobicContact CD1-CG2 4.37Å; I1103-I1118 HydrophobicContact CG1-CD1 3.87Å; I1103-I1118 HydrophobicContact CG1-CG1 4.1Å; P1116-I1118 WeakPolarHBondContact O-CG1 3.48Å
1119	E	58.8	Low	71.5	Confident	163 Å²	163	74.1 Å²	74.1	76%	0.762	38%	0.381	S	S	*	.	S	Bend	trans	-73.1	155.6	171.2	-60.5	-175.4	173.5	0	0	109.9	P1121	E1119-P1121 CarbonylContact O-C 3.48Å
1120	Y	47.3	Very low	71	Confident	144 Å²	144	71.4 Å²	71.4	57%	0.565	37%	0.367	S	S	*	.	S	Bend	trans	-89.7	136.9	-177.5	-179.6	-92.4	0	0	0	110.5	P902 Y1122	P902-Y1120 HydrophobicContact CB-CD1 4.22Å; P902-Y1120 HydrophobicContact CB-CD2 3.31Å; P902-Y1120 HydrophobicContact CB-CE1 4.34Å; P902-Y1120 HydrophobicContact CB-CE2 3.47Å; P902-Y1120 VanDerWaalsContact CB-CE2 3.47Å; P902-Y1120 HydrophobicContact CB-CG 3.71Å; P902-Y1120 HydrophobicContact CG-CD1 4.36Å; P902-Y1120 HydrophobicContact CG-CD2 3.55Å; P902-Y1120 HydrophobicContact CG-CE2 4.24Å; P902-Y1120 HydrophobicContact CG-CG 3.62Å; Y1120-Y1122 HydrophobicContact CD2-CD1 4Å; Y1120-Y1122 HydrophobicContact CD2-CD2 4.34Å; Y1120-Y1122 AromaticContact CD2-CE1 3.73Å; Y1120-Y1122 HydrophobicContact CD2-CE1 3.73Å; Y1120-Y1122 HydrophobicContact CD2-CE2 4.13Å; Y1120-Y1122 HydrophobicContact CD2-CG 4.29Å; Y1120-Y1122 AromaticContact CD2-CZ 3.82Å; Y1120-Y1122 HydrophobicContact CE2-CE2 4.39Å; Y1120-Y1122 HydrophobicContact CG-CE1 4.47Å
1121	P	43.3	Very low	70.6	Confident	105 Å²	105	72.6 Å²	72.6	68%	0.682	37%	0.369	S	S	*	.	S	Bend	cis	-76.8	140.9	8.2	31	-35.9	0	0	0	114.4	E1119	E1119-P1121 CarbonylContact O-C 3.48Å
1122	Y	60.8	Low	70.6	Confident	39 Å²	39	76.1 Å²	76.1	15%	0.153	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.3	-175.1	-46.9	-44.7	0	0	0	112.7	P902 D903 S1091 R1093 Y1120 L1157	P902-Y1122 HydrophobicContact CG-CE1 4.31Å; P902-Y1122 WeakPolarHBondContact CG-OH 3.5Å; D903-Y1122 PolarHBondContact OD1-OH 3.44Å; S1091-Y1122 WeakPolarHBondContact OG-CB 3.21Å; R1093-Y1122 HydrophobicContact CB-CE1 4.41Å; R1093-Y1122 VanDerWaalsContact CD-CE1 3.5Å; R1093-Y1122 WeakPolarHBondContact CD-OH 3.44Å; R1093-Y1122 HydrophobicContact CG-CD1 4.49Å; R1093-Y1122 HydrophobicContact CG-CE1 3.9Å; R1093-Y1122 PolarHBondContact NH1-OH 2.94Å; R1093-Y1122 VanDerWaalsContact NH1-OH 3.15Å; Y1120-Y1122 HydrophobicContact CD2-CD1 4Å; Y1120-Y1122 HydrophobicContact CD2-CD2 4.34Å; Y1120-Y1122 AromaticContact CD2-CE1 3.73Å; Y1120-Y1122 HydrophobicContact CD2-CE1 3.73Å; Y1120-Y1122 HydrophobicContact CD2-CE2 4.13Å; Y1120-Y1122 HydrophobicContact CD2-CG 4.29Å; Y1120-Y1122 AromaticContact CD2-CZ 3.82Å; Y1120-Y1122 HydrophobicContact CE2-CE2 4.39Å; Y1120-Y1122 HydrophobicContact CG-CE1 4.47Å; Y1122-L1157 HydrophobicContact CD2-CD1 4.08Å; Y1122-L1157 HydrophobicContact CE2-CD1 4.27Å
1123	S	66.5	Low	70.6	Confident	40 Å²	40	71.3 Å²	71.3	28%	0.28	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-77.4	132.1	170	64	0	0	0	0	110.7	S1091 S1117	S1091-S1123 WeakPolarHBondContact CB-O 3.16Å; S1091-S1123 PolarHBondContact OG-O 3.03Å; S1117-S1123 WeakPolarHBondContact CA-OG 3.26Å; S1117-S1123 VanDerWaalsContact CB-OG 3.31Å; S1117-S1123 WeakPolarHBondContact CB-OG 3.33Å; S1117-S1123 PolarHBondContact N-OG 2.97Å
1124	W	72.5	Confident	70.7	Confident	122 Å²	122	67.2 Å²	67.2	46%	0.462	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-91.5	132.4	168.7	-72.5	87.2	0	0	0	110.5	L1025 K1089	L1025-W1124 HydrophobicContact CD1-CH2 3.76Å; L1025-W1124 HydrophobicContact CD1-CZ2 3.99Å; L1025-W1124 HydrophobicContact CD2-CH2 3.68Å; L1025-W1124 HydrophobicContact CD2-CZ2 3.74Å; L1025-W1124 HydrophobicContact CG-CH2 3.6Å; L1025-W1124 HydrophobicContact CG-CZ2 4.07Å; K1089-W1124 HydrophobicContact CB-CE3 3.72Å; K1089-W1124 HydrophobicContact CB-CZ3 4.12Å
1125	L	76	Confident	70.8	Confident	33 Å²	33	65.8 Å²	65.8	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.1	-175.1	-179.7	67.3	0	0	0	109.7	K1089 Y1090 F1092 L1105 I1114 L1127	K1089-L1125 WeakPolarHBondContact CA-O 3.31Å; Y1090-L1125 PolarHBondContact N-O 3.32Å; Y1090-L1125 PolarHBondContact O-N 3.45Å; F1092-L1125 HydrophobicContact CE2-CD2 4.32Å; L1105-L1125 HydrophobicContact CD2-CD2 4.35Å; I1114-L1125 HydrophobicContact CD1-CD2 4.46Å; I1114-L1125 HydrophobicContact CG2-CD1 3.68Å; I1114-L1125 HydrophobicContact CG2-CD2 3.63Å; I1114-L1125 HydrophobicContact CG2-CG 4.32Å; L1125-L1127 HydrophobicContact CD2-CD2 3.57Å; L1125-L1127 HydrophobicContact CD2-CG 4.24Å; L1125-L1127 HydrophobicContact CG-CD2 3.89Å; L1125-L1127 HydrophobicContact CG-CG 4.37Å; L1125-L1127 PolarHBondContact O-N 3.2Å
1126	N	77.7	Confident	71.1	Confident	62 Å²	62	59.9 Å²	59.9	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.2	171.6	-65.8	19.6	0	0	0	108.4	E1087 K1089	E1087-N1126 HydrophobicContact CB-CB 4.13Å; E1087-N1126 PolarHBondContact OE2-ND2 3.13Å; K1089-N1126 VanDerWaalsContact CD-OD1 3.31Å; K1089-N1126 WeakPolarHBondContact CD-OD1 3.38Å; K1089-N1126 WeakPolarHBondContact CE-OD1 3.44Å; K1089-N1126 WeakPolarHBondContact CG-OD1 3.21Å
1127	L	74.9	Confident	71.7	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.9	171.7	-64	-178.3	0	0	0	110.2	V1088 Y1090 F1092 L1105 I1114 L1125 Y1134	V1088-L1127 PolarHBondContact O-N 3.38Å; Y1090-L1127 HydrophobicContact CD2-CB 3.79Å; Y1090-L1127 HydrophobicContact CD2-CD1 3.68Å; Y1090-L1127 HydrophobicContact CD2-CG 3.84Å; Y1090-L1127 HydrophobicContact CE2-CB 4.03Å; Y1090-L1127 HydrophobicContact CE2-CD1 4.3Å; Y1090-L1127 HydrophobicContact CG-CD1 4.37Å; F1092-L1127 HydrophobicContact CZ-CD1 4.34Å; L1105-L1127 HydrophobicContact CD2-CD1 3.86Å; L1105-L1127 HydrophobicContact CD2-CD2 3.71Å; L1105-L1127 HydrophobicContact CD2-CG 4.46Å; I1114-L1127 HydrophobicContact CD1-CD2 4.38Å; L1125-L1127 HydrophobicContact CD2-CD2 3.57Å; L1125-L1127 HydrophobicContact CD2-CG 4.24Å; L1125-L1127 HydrophobicContact CG-CD2 3.89Å; L1125-L1127 HydrophobicContact CG-CG 4.37Å; L1125-L1127 PolarHBondContact O-N 3.2Å; L1127-Y1134 HydrophobicContact CB-CE2 4.21Å; L1127-Y1134 HydrophobicContact CD1-CE2 4.49Å; L1127-Y1134 HydrophobicContact CD2-CD1 4.44Å; L1127-Y1134 HydrophobicContact CD2-CE1 3.93Å; L1127-Y1134 HydrophobicContact CD2-CE2 4.29Å
1128	K	73.8	Confident	72.5	Confident	127 Å²	127	57.1 Å²	57.1	55%	0.552	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-87.1	164.1	179	-69.4	175.3	176.4	171.4	0	110.3	E1087 Y1134	E1087-K1128 WeakPolarHBondContact OE1-CE 3.14Å; E1087-K1128 IonicContact OE1-NZ 3.9Å; K1128-Y1134 PolarHBondContact N-OH 3.1Å; K1128-Y1134 PolarHBondContact O-OH 3.39Å
1129	V	68.1	Low	73.4	Confident	77 Å²	77	55.8 Å²	55.8	47%	0.467	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67	134.7	168	-172.7	0	0	0	0	108	T1075 M1076	T1075-V1129 HydrophobicContact CG2-CG2 4.34Å; T1075-V1129 WeakPolarHBondContact OG1-CG2 3.13Å; M1076-V1129 HydrophobicContact CE-CG1 3.91Å; M1076-V1129 HydrophobicContact CG-CG1 4.49Å
1130	N	68.6	Low	74.6	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.027	23%	0.232	C	C	.	.			trans	-145.8	128.6	-164	174.1	-13.3	0	0	0	108.3	N1107 D1109 H1132 G1133 Y1134	N1107-N1130 PolarHBondContact OD1-ND2 3.37Å; D1109-N1130 PolarHBondContact OD1-OD1 3.44Å; D1109-N1130 PolarHBondContact OD2-OD1 3.38Å; N1130-H1132 PolarHBondContact OD1-N 2.86Å; N1130-G1133 PolarHBondContact ND2-O 3.33Å; N1130-G1133 WeakPolarHBondContact OD1-CA 3.48Å; N1130-G1133 PolarHBondContact OD1-N 2.9Å; N1130-G1133 PolarHBondContact OD1-O 2.9Å; N1130-Y1134 HydrophobicContact CB-CD2 4.17Å; N1130-Y1134 HydrophobicContact CB-CE2 3.63Å; N1130-Y1134 WeakPolarHBondContact ND2-CD2 3.3Å; N1130-Y1134 WeakPolarHBondContact ND2-CE2 3.31Å
1131	H	70.5	Confident	75.7	Confident	122 Å²	122	45 Å²	45	57%	0.565	23%	0.225	S	C	*	.	S	Bend	trans	-85.7	-36.4	-166.7	-55.6	81.5	0	0	0	112.6	Y1072 D1109	Y1072-H1131 WeakPolarHBondContact CE1-O 3.44Å; D1109-H1131 PolarHBondContact OD1-N 2.87Å; D1109-H1131 IonicContact OD2-CG 3.25Å; D1109-H1131 PolarHBondContact OD2-N 3.23Å; D1109-H1131 IonicContact OD2-ND1 3.06Å; D1109-H1131 PolarHBondContact OD2-ND1 3.41Å
1132	H	73.2	Confident	76.7	Confident	119 Å²	119	42.3 Å²	42.3	55%	0.551	21%	0.205	S	C	*	.	S	Bend	trans	-98.2	-2.3	175.4	-56.4	88.7	0	0	0	112.9	N1108 D1109 N1130	N1108-H1132 HydrophobicContact CB-CB 3.69Å; N1108-H1132 PolarHBondContact ND2-O 3.49Å; D1109-H1132 WeakPolarHBondContact OD1-CB 3.3Å; D1109-H1132 IonicContact OD1-CE1 3.72Å; D1109-H1132 IonicContact OD1-CG 2.61Å; D1109-H1132 PolarHBondContact OD1-N 3.07Å; D1109-H1132 IonicContact OD1-ND1 2.96Å; D1109-H1132 PolarHBondContact OD1-ND1 3.14Å; N1130-H1132 PolarHBondContact OD1-N 2.86Å
1133	G	80.9	Confident	76.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.			trans	83.9	-178.3	172.9	0	0	0	0	0	113.9	Y1072 N1108 N1130	Y1072-G1133 VanDerWaalsContact CE1-CA 3.47Å; Y1072-G1133 VanDerWaalsContact CE1-N 3.31Å; N1108-G1133 WeakPolarHBondContact CB-O 3.43Å; N1108-G1133 PolarHBondContact N-O 2.87Å; N1108-G1133 PolarHBondContact ND2-O 3.33Å; N1130-G1133 PolarHBondContact ND2-O 3.33Å; N1130-G1133 WeakPolarHBondContact OD1-CA 3.48Å; N1130-G1133 PolarHBondContact OD1-N 2.9Å; N1130-G1133 PolarHBondContact OD1-O 2.9Å
1134	Y	86.7	Confident	76.3	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121	177	-67.6	-90.7	0	0	0	110.1	C1070 I1071 L1105 I1106 N1107 I1114 L1127 K1128 N1130 L1136	C1070-Y1134 CarbonylContact C-O 3.56Å; C1070-Y1134 WeakPolarHBondContact CA-O 3.45Å; I1071-Y1134 WeakPolarHBondContact CG1-O 3.49Å; I1071-Y1134 PolarHBondContact N-O 2.62Å; I1071-Y1134 PolarHBondContact O-N 3.04Å; L1105-Y1134 HydrophobicContact CD2-CD1 3.9Å; L1105-Y1134 HydrophobicContact CD2-CG 4.06Å; L1105-Y1134 HydrophobicContact CG-CD1 4.42Å; I1106-Y1134 CarbonylContact O-C 3.58Å; I1106-Y1134 WeakPolarHBondContact O-CA 3.37Å; N1107-Y1134 HydrophobicContact CB-CD1 3.82Å; N1107-Y1134 HydrophobicContact CB-CE1 3.6Å; I1114-Y1134 HydrophobicContact CD1-CE1 4.4Å; L1127-Y1134 HydrophobicContact CB-CE2 4.21Å; L1127-Y1134 HydrophobicContact CD1-CE2 4.49Å; L1127-Y1134 HydrophobicContact CD2-CD1 4.44Å; L1127-Y1134 HydrophobicContact CD2-CE1 3.93Å; L1127-Y1134 HydrophobicContact CD2-CE2 4.29Å; K1128-Y1134 PolarHBondContact N-OH 3.1Å; K1128-Y1134 PolarHBondContact O-OH 3.39Å; N1130-Y1134 HydrophobicContact CB-CD2 4.17Å; N1130-Y1134 HydrophobicContact CB-CE2 3.63Å; N1130-Y1134 WeakPolarHBondContact ND2-CD2 3.3Å; N1130-Y1134 WeakPolarHBondContact ND2-CE2 3.31Å; Y1134-L1136 PolarHBondContact O-N 3.38Å
1135	S	87	Confident	75.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.1	168.9	-63.1	0	0	0	0	109.8	D1069 L1105 I1106 N1108	D1069-S1135 CarbonylContact O-C 3.56Å; D1069-S1135 WeakPolarHBondContact O-CA 3.41Å; L1105-S1135 CarbonylContact C-O 3.53Å; L1105-S1135 WeakPolarHBondContact CA-O 3.41Å; I1106-S1135 PolarHBondContact N-O 3.38Å; I1106-S1135 PolarHBondContact O-N 2.86Å; N1108-S1135 PolarHBondContact ND2-OG 3.41Å; N1108-S1135 WeakPolarHBondContact OD1-CB 3.2Å; N1108-S1135 PolarHBondContact OD1-N 3.27Å; N1108-S1135 PolarHBondContact OD1-OG 2.77Å
1136	L	89.9	Confident	75.7	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118	-178.5	165.4	64.6	0	0	0	109.2	F1067 R1068 D1069 I1071 F1092 I1103 L1105 Y1134 L1154 L1177	F1067-L1136 HydrophobicContact CD2-CG 4.31Å; F1067-L1136 HydrophobicContact CE2-CD1 3.84Å; F1067-L1136 HydrophobicContact CE2-CD2 4.45Å; F1067-L1136 HydrophobicContact CE2-CG 3.88Å; R1068-L1136 WeakPolarHBondContact CA-O 3.5Å; D1069-L1136 PolarHBondContact N-O 3.26Å; D1069-L1136 PolarHBondContact O-N 3.23Å; I1071-L1136 HydrophobicContact CD1-CB 4.26Å; I1071-L1136 HydrophobicContact CD1-CD2 4.18Å; I1071-L1136 HydrophobicContact CG1-CB 4.27Å; I1071-L1136 HydrophobicContact CG2-CB 4.42Å; I1071-L1136 HydrophobicContact CG2-CD2 4.08Å; F1092-L1136 HydrophobicContact CD1-CD1 4.37Å; F1092-L1136 HydrophobicContact CE1-CD1 4.16Å; I1103-L1136 HydrophobicContact CG2-CD1 3.68Å; L1105-L1136 HydrophobicContact CD1-CB 4.09Å; L1105-L1136 HydrophobicContact CD1-CD1 3.56Å; L1105-L1136 HydrophobicContact CD1-CG 4.38Å; Y1134-L1136 PolarHBondContact O-N 3.38Å; L1136-L1154 HydrophobicContact CD1-CD2 4.27Å; L1136-L1154 HydrophobicContact CD2-CD2 3.81Å; L1136-L1154 HydrophobicContact CG-CD2 4.49Å; L1136-L1177 HydrophobicContact CD2-CD1 3.92Å; L1136-L1177 HydrophobicContact CD2-CD2 3.97Å
1137	L	89	Confident	75.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.2	178.5	-51.6	103	0	0	0	111.3	L1065 F1067 R1068 I1103 L1104 I1106 I1139 Y1247 A1248	L1065-L1137 HydrophobicContact CD2-CD2 4.18Å; F1067-L1137 VanDerWaalsContact CE2-C 3.46Å; R1068-L1137 HydrophobicContact CB-CD2 4.49Å; R1068-L1137 HydrophobicContact CG-CD2 3.72Å; R1068-L1137 HydrophobicContact CG-CG 3.94Å; I1103-L1137 CarbonylContact C-O 3.56Å; I1103-L1137 WeakPolarHBondContact CA-O 3.36Å; L1104-L1137 HydrophobicContact CB-CB 4.25Å; L1104-L1137 HydrophobicContact CB-CD1 4.13Å; L1104-L1137 HydrophobicContact CD2-CD1 4.32Å; L1104-L1137 PolarHBondContact N-O 3.3Å; L1104-L1137 PolarHBondContact O-N 3.21Å; I1106-L1137 HydrophobicContact CD1-CD1 4.08Å; I1106-L1137 HydrophobicContact CG1-CD1 4.33Å; L1137-I1139 HydrophobicContact CB-CD1 4.47Å; L1137-I1139 HydrophobicContact CB-CG1 4.18Å; L1137-Y1247 WeakPolarHBondContact CD2-O 3.45Å; L1137-A1248 HydrophobicContact CD1-CB 4.33Å
1138	G	89	Confident	75.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.7	161.3	0	0	0	0	0	108.7	L1065 L1066 F1067	L1065-G1138 CarbonylContact C-O 3.54Å; L1065-G1138 WeakPolarHBondContact CA-O 3.15Å; L1066-G1138 PolarHBondContact N-O 2.86Å; F1067-G1138 VanDerWaalsContact CZ-CA 3.42Å; F1067-G1138 PolarHBondContact O-N 2.97Å
1139	I	86.7	Confident	75.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	-175	-62.4	174.6	0	0	0	109.5	I1063 L1065 S1101 Y1102 L1104 L1137 Y1247	I1063-I1139 HydrophobicContact CG2-CG1 4.46Å; I1063-I1139 HydrophobicContact CG2-CG2 4.06Å; L1065-I1139 HydrophobicContact CD2-CG1 3.84Å; S1101-I1139 CarbonylContact C-O 3.53Å; S1101-I1139 VanDerWaalsContact CA-O 3.23Å; S1101-I1139 WeakPolarHBondContact CA-O 3.36Å; Y1102-I1139 HydrophobicContact CD1-CB 4.37Å; Y1102-I1139 HydrophobicContact CD1-CG2 4.37Å; Y1102-I1139 HydrophobicContact CD2-CB 4.49Å; Y1102-I1139 HydrophobicContact CE1-CB 3.99Å; Y1102-I1139 HydrophobicContact CE1-CG2 3.59Å; Y1102-I1139 HydrophobicContact CE2-CB 4.13Å; Y1102-I1139 HydrophobicContact CE2-CD1 4Å; Y1102-I1139 HydrophobicContact CE2-CG2 4.33Å; Y1102-I1139 PolarHBondContact N-O 2.82Å; Y1102-I1139 PolarHBondContact O-N 3.44Å; L1104-I1139 HydrophobicContact CB-CD1 3.99Å; L1104-I1139 HydrophobicContact CD2-CD1 3.95Å; L1137-I1139 HydrophobicContact CB-CD1 4.47Å; L1137-I1139 HydrophobicContact CB-CG1 4.18Å; I1139-Y1247 HydrophobicContact CD1-CD1 3.81Å; I1139-Y1247 HydrophobicContact CD1-CE1 3.93Å
1140	V	83.7	Confident	76.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	165.7	175.7	0	0	0	0	108.4	I1037 H1064 L1066 V1098	I1037-V1140 HydrophobicContact CD1-CB 4.45Å; I1037-V1140 HydrophobicContact CD1-CG1 4.38Å; I1037-V1140 HydrophobicContact CD1-CG2 4Å; H1064-V1140 HydrophobicContact CB-CB 4.16Å; H1064-V1140 PolarHBondContact O-N 3.11Å; L1066-V1140 HydrophobicContact CD1-CG2 4.16Å; L1066-V1140 HydrophobicContact CD2-CG2 3.76Å; L1066-V1140 HydrophobicContact CG-CG2 3.82Å; V1098-V1140 HydrophobicContact CB-CG2 4.29Å; V1098-V1140 HydrophobicContact CG1-CB 4.13Å; V1098-V1140 HydrophobicContact CG1-CG1 3.46Å; V1098-V1140 VanDerWaalsContact CG1-CG1 3.46Å; V1098-V1140 HydrophobicContact CG1-CG2 3.57Å; V1098-V1140 HydrophobicContact CG2-CG2 4.39Å
1141	N	71.3	Confident	77.3	Confident	77 Å²	77	50.1 Å²	50.1	41%	0.412	28%	0.279	S	S	.	.			trans	-83.8	154.8	174.1	-139.9	2.2	0	0	0	111	N1100 Y1102 P1143	N1100-N1141 HydrophobicContact CB-CB 4.17Å; N1100-N1141 WeakPolarHBondContact O-CB 3.43Å; N1100-N1141 PolarHBondContact O-N 3.03Å; Y1102-N1141 HydrophobicContact CD1-CB 4.25Å; Y1102-N1141 HydrophobicContact CE1-CB 3.84Å; N1141-P1143 VanDerWaalsContact O-N 3.11Å
1142	N	63.3	Low	78.2	Confident	50 Å²	50	44.5 Å²	44.5	27%	0.267	25%	0.252	S	S	.	.			trans	-34.3	106.7	-165.6	-162.8	-11.6	0	0	0	114.6	H1059 D1061	H1059-N1142 PolarHBondContact O-ND2 2.94Å; D1061-N1142 HydrophobicContact CB-CB 4.43Å; D1061-N1142 WeakPolarHBondContact CB-OD1 3.22Å; D1061-N1142 PolarHBondContact N-ND2 3.31Å; D1061-N1142 PolarHBondContact OD2-ND2 2.95Å
1143	P	58.3	Low	78.9	Confident	9 Å²	9	40 Å²	40	6%	0.058	23%	0.232	C	C	.	.			trans	-83.9	127	-176.5	33.2	-33.9	0	0	0	111.3	I1037 P1040 N1141 A1145 I1147	I1037-P1143 HydrophobicContact CG2-CG 4.08Å; P1040-P1143 WeakPolarHBondContact CD-O 3.47Å; P1040-P1143 VanDerWaalsContact CG-O 3.31Å; P1040-P1143 WeakPolarHBondContact CG-O 3.14Å; N1141-P1143 VanDerWaalsContact O-N 3.11Å; P1143-A1145 PolarHBondContact O-N 2.7Å; P1143-I1147 HydrophobicContact CB-CD1 3.66Å; P1143-I1147 HydrophobicContact CB-CG1 4.01Å
1144	L	61.3	Low	79.2	Confident	173 Å²	173	40 Å²	40	91%	0.906	23%	0.233	S	C	*	.	S	Bend	trans	-65.6	-9.5	-178.6	-68.5	167.2	0	0	0	114.9
1145	A	64.9	Low	79	Confident	56 Å²	56	39.8 Å²	39.8	46%	0.463	23%	0.232	S	C	.	.	S	Bend	trans	-150.2	156.8	-176	0	0	0	0	0	109.8	P1143 I1147	P1143-A1145 PolarHBondContact O-N 2.7Å; A1145-I1147 PolarHBondContact O-N 2.66Å
1146	P	70	Confident	78.8	Confident	73 Å²	73	39.8 Å²	39.8	47%	0.474	23%	0.232	S	C	.	.			trans	-60.7	131.7	171.6	26.4	-32.2	0	0	0	109.9	I1037	I1037-P1146 CarbonylContact O-C 3.32Å; I1037-P1146 WeakPolarHBondContact O-CA 3.41Å
1147	I	74.2	Confident	78.2	Confident	25 Å²	25	40 Å²	40	13%	0.128	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-104.7	121.4	-178.7	-49.6	-175.5	0	0	0	109.2	Y1034 I1037 V1098 P1143 A1145	Y1034-I1147 HydrophobicContact CE2-CG2 4.31Å; I1037-I1147 HydrophobicContact CB-CB 4.18Å; I1037-I1147 PolarHBondContact N-O 3.19Å; I1037-I1147 PolarHBondContact O-N 3.28Å; V1098-I1147 HydrophobicContact CG1-CD1 3.66Å; V1098-I1147 HydrophobicContact CG2-CG2 4.36Å; P1143-I1147 HydrophobicContact CB-CD1 3.66Å; P1143-I1147 HydrophobicContact CB-CG1 4.01Å; A1145-I1147 PolarHBondContact O-N 2.66Å
1148	P	74.6	Confident	77.4	Confident	91 Å²	91	40 Å²	40	59%	0.591	23%	0.233	S	C	*	.			trans	-62.2	153.7	178.1	27.1	-35.4	0	0	0	111.6	Y1034 G1150	Y1034-P1148 WeakPolarHBondContact CE2-O 3.3Å; Y1034-P1148 PolarHBondContact OH-O 2.82Å; P1148-G1150 PolarHBondContact O-N 3.39Å
1149	S	81.1	Confident	76.1	Confident	84 Å²	84	42.2 Å²	42.2	59%	0.587	25%	0.247	S	C	*	.	S	Bend	trans	-53.7	128.3	176.9	60.6	0	0	0	0	111.4	Y1034	Y1034-S1149 WeakPolarHBondContact O-CA 3.36Å; Y1034-S1149 WeakPolarHBondContact O-CB 3.5Å
1150	G	83.1	Confident	74.4	Confident	16 Å²	16	42.7 Å²	42.7	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-156.9	-173.7	0	0	0	0	0	113.3	N1033 Y1034 P1148	N1033-G1150 VanDerWaalsContact CA-O 3.27Å; N1033-G1150 WeakPolarHBondContact CA-O 3.2Å; Y1034-G1150 VanDerWaalsContact CD1-C 3.47Å; Y1034-G1150 VanDerWaalsContact CE1-CA 3.43Å; Y1034-G1150 VanDerWaalsContact CZ-N 3.35Å; Y1034-G1150 PolarHBondContact N-O 2.73Å; Y1034-G1150 PolarHBondContact O-N 2.73Å; P1148-G1150 PolarHBondContact O-N 3.39Å
1151	K	85.1	Confident	72.6	Confident	145 Å²	145	46.9 Å²	46.9	63%	0.63	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.6	-174.6	-60.6	-167.2	177.1	178.3	0	112.3	G1032 N1033 Y1034 T1096 T1097	G1032-K1151 WeakPolarHBondContact O-CA 3.45Å; N1033-K1151 WeakPolarHBondContact OD1-CG 3.36Å; Y1034-K1151 VanDerWaalsContact CE1-N 3.31Å; T1096-K1151 PolarHBondContact OG1-O 3.21Å; T1097-K1151 PolarHBondContact N-O 3.1Å
1152	W	89.5	Confident	71.2	Confident	4 Å²	4	48 Å²	48	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.8	171.6	63.5	-98.3	0	0	0	110.3	Y1030 S1031 G1032 L1066 F1067 L1094 K1095 L1154 L1177	Y1030-W1152 WeakPolarHBondContact O-CZ3 3.46Å; S1031-W1152 WeakPolarHBondContact CA-O 3.35Å; S1031-W1152 WeakPolarHBondContact CB-O 3.35Å; G1032-W1152 VanDerWaalsContact CA-CE2 3.49Å; G1032-W1152 PolarHBondContact N-O 3.22Å; G1032-W1152 PolarHBondContact O-N 2.74Å; L1066-W1152 HydrophobicContact CB-CG 4.23Å; L1066-W1152 PolarHBondContact O-NE1 3.41Å; F1067-W1152 HydrophobicContact CB-CH2 3.87Å; F1067-W1152 HydrophobicContact CB-CZ2 3.66Å; F1067-W1152 HydrophobicContact CB-CZ3 4.33Å; F1067-W1152 AromaticContact CD1-CD2 3.73Å; F1067-W1152 HydrophobicContact CD1-CD2 3.73Å; F1067-W1152 AromaticContact CD1-CE3 3.59Å; F1067-W1152 HydrophobicContact CD1-CE3 3.59Å; F1067-W1152 HydrophobicContact CD1-CG 4.36Å; F1067-W1152 HydrophobicContact CD1-CH2 4.23Å; F1067-W1152 HydrophobicContact CD1-CZ2 4.32Å; F1067-W1152 AromaticContact CD1-CZ3 3.84Å; F1067-W1152 HydrophobicContact CD1-CZ3 3.84Å; F1067-W1152 HydrophobicContact CE1-CE3 4.12Å; F1067-W1152 HydrophobicContact CE1-CZ3 4.5Å; F1067-W1152 HydrophobicContact CG-CE3 4.38Å; F1067-W1152 HydrophobicContact CG-CH2 4.24Å; F1067-W1152 HydrophobicContact CG-CZ2 4.36Å; F1067-W1152 HydrophobicContact CG-CZ3 4.22Å; L1094-W1152 HydrophobicContact CD1-CB 4.01Å; K1095-W1152 CarbonylContact O-C 3.56Å; K1095-W1152 WeakPolarHBondContact O-CA 3.16Å; W1152-L1154 HydrophobicContact CE3-CB 4.22Å; W1152-L1154 HydrophobicContact CZ3-CB 3.98Å; W1152-L1177 HydrophobicContact CH2-CB 4.16Å; W1152-L1177 HydrophobicContact CH2-CD1 4.29Å; W1152-L1177 HydrophobicContact CZ3-CD1 4.38Å
1153	N	87.1	Confident	70.4	Confident	24 Å²	24	48 Å²	48	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.3	169.7	-176.4	2.4	0	0	0	108.4	E1029 Y1030 L1094 K1095	E1029-N1153 PolarHBondContact OE2-ND2 2.83Å; Y1030-N1153 CarbonylContact O-C 3.59Å; Y1030-N1153 WeakPolarHBondContact O-CA 3.45Å; Y1030-N1153 PolarHBondContact O-OD1 2.98Å; L1094-N1153 WeakPolarHBondContact CA-O 3.31Å; K1095-N1153 HydrophobicContact CB-CB 4.45Å; K1095-N1153 PolarHBondContact N-O 3.39Å; K1095-N1153 PolarHBondContact O-N 2.88Å
1154	L	87.5	Confident	70.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.2	172.2	179.6	75.4	0	0	0	109.2	Y1030 F1067 R1093 L1094 I1103 L1136 W1152 L1177	Y1030-L1154 PolarHBondContact N-O 2.6Å; Y1030-L1154 PolarHBondContact O-N 3.49Å; F1067-L1154 HydrophobicContact CE1-CB 4.31Å; F1067-L1154 HydrophobicContact CE2-CD2 3.89Å; F1067-L1154 HydrophobicContact CZ-CB 4.36Å; F1067-L1154 HydrophobicContact CZ-CD1 4.11Å; F1067-L1154 HydrophobicContact CZ-CD2 3.9Å; F1067-L1154 HydrophobicContact CZ-CG 4.35Å; R1093-L1154 CarbonylContact O-C 3.57Å; R1093-L1154 WeakPolarHBondContact O-CA 3.47Å; L1094-L1154 HydrophobicContact CB-CD1 4.12Å; I1103-L1154 HydrophobicContact CD1-CD1 3.44Å; I1103-L1154 VanDerWaalsContact CD1-CD1 3.44Å; I1103-L1154 HydrophobicContact CG1-CD1 4.29Å; L1136-L1154 HydrophobicContact CD1-CD2 4.27Å; L1136-L1154 HydrophobicContact CD2-CD2 3.81Å; L1136-L1154 HydrophobicContact CG-CD2 4.49Å; W1152-L1154 HydrophobicContact CE3-CB 4.22Å; W1152-L1154 HydrophobicContact CZ3-CB 3.98Å; L1154-L1177 HydrophobicContact CD2-CD1 3.69Å
1155	Q	82.5	Confident	69.7	Low	4 Å²	4	48 Å²	48	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.5	168.4	-57.9	166.7	-37.1	0	0	109.8	D903 E1029 R1093	D903-Q1155 VanDerWaalsContact OD2-CD 3.23Å; D903-Q1155 PolarHBondContact OD2-NE2 2.91Å; D903-Q1155 PolarHBondContact OD2-OE1 2.72Å; E1029-Q1155 HydrophobicContact CG-CG 3.96Å; E1029-Q1155 WeakPolarHBondContact OE1-CG 3.38Å; E1029-Q1155 PolarHBondContact OE1-NE2 3.05Å; R1093-Q1155 HydrophobicContact CB-CB 4.35Å; R1093-Q1155 VanDerWaalsContact CD-OE1 3.28Å; R1093-Q1155 PolarHBondContact N-O 3.16Å; R1093-Q1155 PolarHBondContact O-N 3.41Å
1156	L	82.9	Confident	69.3	Low	1 Å²	1	48.3 Å²	48.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126	173.3	176.9	55.7	0	0	0	109.1	I1027 K1028 Y1030 F1092 L1167 P1168	I1027-L1156 CarbonylContact C-O 3.46Å; I1027-L1156 WeakPolarHBondContact CA-O 3.24Å; K1028-L1156 PolarHBondContact N-O 3.03Å; K1028-L1156 PolarHBondContact O-N 3.48Å; Y1030-L1156 HydrophobicContact CE2-CB 4.36Å; Y1030-L1156 HydrophobicContact CE2-CD2 4.28Å; F1092-L1156 HydrophobicContact CD1-CD1 3.93Å; F1092-L1156 HydrophobicContact CD2-CD1 4.48Å; F1092-L1156 HydrophobicContact CE1-CD1 3.66Å; F1092-L1156 HydrophobicContact CE2-CD1 4.22Å; F1092-L1156 HydrophobicContact CG-CD1 4.34Å; F1092-L1156 HydrophobicContact CZ-CD1 3.81Å; L1156-L1167 HydrophobicContact CG-CD2 4.47Å; L1156-P1168 HydrophobicContact CD2-CB 3.94Å; L1156-P1168 HydrophobicContact CD2-CG 4.16Å; L1156-P1168 WeakPolarHBondContact CD2-O 3.4Å
1157	L	76.6	Confident	69.3	Low	6 Å²	6	45 Å²	45	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.2	-173.3	-64.4	159.1	0	0	0	109.2	L1025 I1027 Y1090 S1091 Y1122	L1025-L1157 HydrophobicContact CD2-CB 4.2Å; L1025-L1157 HydrophobicContact CD2-CD2 3.99Å; I1027-L1157 HydrophobicContact CB-CD2 4.3Å; I1027-L1157 HydrophobicContact CD1-CD2 3.85Å; I1027-L1157 HydrophobicContact CG1-CD2 3.8Å; I1027-L1157 HydrophobicContact CG2-CD2 3.83Å; Y1090-L1157 CarbonylContact C-O 3.53Å; Y1090-L1157 WeakPolarHBondContact CA-O 3.38Å; S1091-L1157 PolarHBondContact N-O 2.73Å; S1091-L1157 WeakPolarHBondContact O-CB 3.33Å; S1091-L1157 PolarHBondContact O-N 3.03Å; Y1122-L1157 HydrophobicContact CD2-CD1 4.08Å; Y1122-L1157 HydrophobicContact CE2-CD1 4.27Å
1158	G	73	Confident	69.2	Low	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	165.4	175.2	0	0	0	0	0	113.4	L1025 S1026 G1160	L1025-G1158 CarbonylContact C-O 3.47Å; L1025-G1158 WeakPolarHBondContact CA-O 3.37Å; S1026-G1158 PolarHBondContact N-O 2.97Å; S1026-G1158 PolarHBondContact O-N 3.24Å; S1026-G1158 VanDerWaalsContact O-N 3.12Å; S1026-G1158 PolarHBondContact OG-O 2.75Å; G1158-G1160 PolarHBondContact O-N 3.49Å
1159	P	60.6	Low	69.1	Low	45 Å²	45	43 Å²	43	29%	0.292	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.9	-178.5	29.2	-35.4	0	0	0	110.7	V1088 K1089	V1088-P1159 HydrophobicContact CG1-CG 3.67Å; K1089-P1159 WeakPolarHBondContact O-CD 3.35Å
1160	G	52.6	Low	68.6	Low	10 Å²	10	39.8 Å²	39.8	10%	0.103	22%	0.218	C	C	.	.			trans	-151.1	118.4	-177.1	0	0	0	0	0	112.4	Y1024 G1158	Y1024-G1160 PolarHBondContact O-N 2.66Å; G1158-G1160 PolarHBondContact O-N 3.49Å
1161	I	46.3	Very low	67.8	Low	90 Å²	90	43.1 Å²	43.1	46%	0.462	23%	0.231	S	C	.	.	S	Bend	trans	-79.1	-35.1	-174.2	-51.5	177.6	0	0	0	110.8	N1022	N1022-I1161 WeakPolarHBondContact OD1-CD1 3.49Å
1162	I	41	Very low	66.5	Low	101 Å²	101	39 Å²	39	52%	0.518	23%	0.23	S	C	.	.	S	Bend	trans	-139	102.1	176.5	-54.4	-178.9	0	0	0	110	E1165	I1162-E1165 PolarHBondContact O-N 3.27Å
1163	G	45.6	Very low	64.3	Low	49 Å²	49	46 Å²	46	51%	0.505	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	56.7	-149.3	169.8	0	0	0	0	0	115.7	E1165	G1163-E1165 PolarHBondContact O-N 2.93Å; G1163-E1165 VanDerWaalsContact O-N 3.13Å
1164	N	52.5	Low	62.6	Low	85 Å²	85	49.1 Å²	49.1	46%	0.455	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-76	14.6	-179.9	-67.4	-41.1	0	0	0	113.7	I1027 K1169	I1027-N1164 PolarHBondContact O-OD1 2.84Å; N1164-K1169 WeakPolarHBondContact O-CE 3.44Å; N1164-K1169 PolarHBondContact O-NZ 2.82Å
1165	E	52.3	Low	61.4	Low	97 Å²	97	55.8 Å²	55.8	45%	0.453	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-68	-39.9	-175.9	-69.9	-143.1	175	0	0	112.6	S1074 K1078 I1162 G1163 K1169	S1074-E1165 PolarHBondContact OG-O 3.4Å; K1078-E1165 IonicContact NZ-OE2 3.31Å; K1078-E1165 PolarHBondContact NZ-OE2 3.3Å; I1162-E1165 PolarHBondContact O-N 3.27Å; G1163-E1165 PolarHBondContact O-N 2.93Å; G1163-E1165 VanDerWaalsContact O-N 3.13Å; E1165-K1169 PolarHBondContact O-NZ 2.64Å
1166	N	58	Low	61	Low	64 Å²	64	59.9 Å²	59.9	34%	0.342	35%	0.351	S	S	.	.	S	Bend	trans	-92.2	-7.1	-172.1	-65.7	2.4	0	0	0	115.3	Y1090	Y1090-N1166 PolarHBondContact OH-O 3.18Å; Y1090-N1166 VanDerWaalsContact OH-O 3.11Å
1167	L	70.2	Confident	60.9	Low	2 Å²	2	60.2 Å²	60.2	1%	0.01	35%	0.352	C	S	.	.	S	Bend	trans	-83.1	145.6	-177.5	-67.3	176.5	0	0	0	112.3	S1026 K1028 Y1090 L1156 K1169	S1026-L1167 VanDerWaalsContact OG-CD2 3.3Å; S1026-L1167 WeakPolarHBondContact OG-CD2 3.3Å; S1026-L1167 VanDerWaalsContact OG-CG 3.25Å; S1026-L1167 WeakPolarHBondContact OG-CG 3.1Å; K1028-L1167 HydrophobicContact CB-CD1 3.5Å; K1028-L1167 VanDerWaalsContact CB-CD1 3.5Å; Y1090-L1167 HydrophobicContact CD1-CD2 4.17Å; Y1090-L1167 HydrophobicContact CE1-CD2 4.12Å; L1156-L1167 HydrophobicContact CG-CD2 4.47Å; L1167-K1169 WeakPolarHBondContact O-CE 3.37Å
1168	P	71.2	Confident	61.1	Low	1 Å²	1	61.3 Å²	61.3	1%	0.006	36%	0.36	C	S	.	.			trans	-56.5	135.5	174	-27.3	30.6	0	0	0	114	Y1030 I1071 Y1072 Y1090 L1156	Y1030-P1168 PolarHBondContact OH-O 3.17Å; I1071-P1168 HydrophobicContact CB-CB 4.08Å; I1071-P1168 HydrophobicContact CD1-CB 3.82Å; I1071-P1168 HydrophobicContact CG1-CB 4.3Å; Y1072-P1168 VanDerWaalsContact O-CA 3.22Å; Y1072-P1168 WeakPolarHBondContact O-CA 3.31Å; Y1090-P1168 HydrophobicContact CD1-CG 4.17Å; Y1090-P1168 HydrophobicContact CD2-CG 4.41Å; Y1090-P1168 HydrophobicContact CE1-CG 3.91Å; Y1090-P1168 HydrophobicContact CE2-CG 4.11Å; Y1090-P1168 HydrophobicContact CG-CG 4.4Å; L1156-P1168 HydrophobicContact CD2-CB 3.94Å; L1156-P1168 HydrophobicContact CD2-CG 4.16Å; L1156-P1168 WeakPolarHBondContact CD2-O 3.4Å
1169	K	71.9	Confident	61.5	Low	74 Å²	74	62.4 Å²	62.4	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.1	-174.3	-70.6	149.5	-166.7	157.9	0	110.9	I1071 Y1072 N1164 E1165 L1167	I1071-K1169 VanDerWaalsContact CA-O 3.29Å; I1071-K1169 WeakPolarHBondContact CA-O 3.36Å; Y1072-K1169 PolarHBondContact N-O 3.02Å; N1164-K1169 WeakPolarHBondContact O-CE 3.44Å; N1164-K1169 PolarHBondContact O-NZ 2.82Å; E1165-K1169 PolarHBondContact O-NZ 2.64Å; L1167-K1169 WeakPolarHBondContact O-CE 3.37Å
1170	P	72.4	Confident	62.3	Low	17 Å²	17	66.2 Å²	66.2	11%	0.11	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	157.8	175.2	27.3	-34.2	0	0	0	112.9	Y1030 D1069 C1070 G1172 L1177	Y1030-P1170 HydrophobicContact CE1-CG 4.37Å; Y1030-P1170 WeakPolarHBondContact OH-CD 3.46Å; D1069-P1170 HydrophobicContact CB-CB 4.22Å; D1069-P1170 WeakPolarHBondContact OD1-CB 3.45Å; C1070-P1170 CarbonylContact O-C 3.43Å; C1070-P1170 VanDerWaalsContact O-CA 3.24Å; C1070-P1170 WeakPolarHBondContact O-CA 3.34Å; P1170-G1172 PolarHBondContact O-N 2.9Å; P1170-L1177 HydrophobicContact CB-CD2 4.12Å; P1170-L1177 HydrophobicContact CG-CD2 4.39Å
1171	I	66	Low	63.8	Low	85 Å²	85	68.2 Å²	68.2	44%	0.436	39%	0.391	S	S	.	.	S	Bend	trans	-77.8	114.5	174.6	-61.1	179.6	0	0	0	110	C1070 Y1072	C1070-I1171 HydrophobicContact CB-CD1 3.75Å; C1070-I1171 HydrophobicContact CB-CG1 4.19Å; C1070-I1171 WeakPolarHBondContact O-CG1 3.29Å; C1070-I1171 PolarHBondContact O-N 3.3Å; Y1072-I1171 HydrophobicContact CD2-CD1 4.21Å; Y1072-I1171 HydrophobicContact CD2-CG1 3.89Å; Y1072-I1171 HydrophobicContact CE2-CD1 3.41Å; Y1072-I1171 VanDerWaalsContact CE2-CD1 3.41Å; Y1072-I1171 HydrophobicContact CE2-CG1 3.54Å
1172	G	57.4	Low	65.5	Low	60 Å²	60	68.9 Å²	68.9	62%	0.619	39%	0.389	S	S	*	.	S	Bend	trans	140.4	-167.7	164.7	0	0	0	0	0	114.7	P1170 T1174	P1170-G1172 PolarHBondContact O-N 2.9Å; G1172-T1174 VanDerWaalsContact C-N 3.34Å
1173	T	42.5	Very low	67.6	Low	150 Å²	150	67 Å²	67	92%	0.92	38%	0.382	S	S	*	.	S	Bend	trans	-83.5	-8.8	179.9	49.4	0	0	0	0	113.5
1174	T	52	Low	69.7	Low	90 Å²	90	66.1 Å²	66.1	55%	0.552	37%	0.365	S	S	*	.			trans	-99	116.5	178.4	45.3	0	0	0	0	111.2	G1172 N1176	G1172-T1174 VanDerWaalsContact C-N 3.34Å; T1174-N1176 PolarHBondContact O-N 3.01Å
1175	L	63.1	Low	71.3	Confident	140 Å²	140	65.7 Å²	65.7	73%	0.733	36%	0.361	S	S	*	.	S	Bend	trans	-71.7	18.4	179.3	-70.6	163.5	0	0	0	114.7	K1028	K1028-L1175 PolarHBondContact NZ-O 3.33Å
1176	N	73.3	Confident	73.1	Confident	91 Å²	91	63.3 Å²	63.3	49%	0.487	35%	0.351	S	S	.	.	S	Bend	trans	-136.9	145.7	-174	-69.9	-16.1	0	0	0	110.1	T1174	T1174-N1176 PolarHBondContact O-N 3.01Å
1177	L	81.4	Confident	74.6	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.042	35%	0.348	C	S	.	.			trans	-67.8	143.5	177.5	-53.8	171.2	0	0	0	112	Y1030 F1067 D1069 I1071 L1136 W1152 L1154 P1170 S1179	Y1030-L1177 HydrophobicContact CD1-CD1 4.49Å; Y1030-L1177 HydrophobicContact CD1-CG 3.94Å; Y1030-L1177 HydrophobicContact CD2-CD1 4.03Å; Y1030-L1177 HydrophobicContact CD2-CG 4.27Å; Y1030-L1177 HydrophobicContact CE1-CG 4.39Å; Y1030-L1177 HydrophobicContact CG-CD1 3.9Å; Y1030-L1177 HydrophobicContact CG-CG 3.85Å; F1067-L1177 HydrophobicContact CB-CB 4.25Å; F1067-L1177 HydrophobicContact CB-CD1 4.47Å; F1067-L1177 HydrophobicContact CD2-CD1 3.85Å; F1067-L1177 HydrophobicContact CE2-CD1 4.38Å; F1067-L1177 HydrophobicContact CG-CD1 4.19Å; D1069-L1177 HydrophobicContact CB-CB 4.37Å; D1069-L1177 HydrophobicContact CB-CD2 3.57Å; D1069-L1177 WeakPolarHBondContact OD2-CA 3.17Å; I1071-L1177 HydrophobicContact CG2-CD2 4.45Å; L1136-L1177 HydrophobicContact CD2-CD1 3.92Å; L1136-L1177 HydrophobicContact CD2-CD2 3.97Å; W1152-L1177 HydrophobicContact CH2-CB 4.16Å; W1152-L1177 HydrophobicContact CH2-CD1 4.29Å; W1152-L1177 HydrophobicContact CZ3-CD1 4.38Å; L1154-L1177 HydrophobicContact CD2-CD1 3.69Å; P1170-L1177 HydrophobicContact CB-CD2 4.12Å; P1170-L1177 HydrophobicContact CG-CD2 4.39Å; L1177-S1179 PolarHBondContact O-N 2.86Å
1178	C	80.3	Confident	75.3	Confident	29 Å²	29	65 Å²	65	20%	0.196	36%	0.358	C	S	.	.			trans	-66.6	129.9	173.2	-170.7	0	0	0	0	112.4	F1067 R1068 D1069 N1180	F1067-C1178 CarbonylContact C-O 3.56Å; F1067-C1178 WeakPolarHBondContact CA-O 3.34Å; R1068-C1178 PolarHBondContact N-O 2.82Å; R1068-C1178 WeakPolarHBondContact O-CB 3.38Å; D1069-C1178 PolarHBondContact OD2-N 3.43Å; C1178-N1180 PolarHBondContact SG-O 3.06Å
1179	S	80.5	Confident	75.9	Confident	22 Å²	22	66.1 Å²	66.1	15%	0.154	36%	0.362	C	S	.	.			trans	-130.7	-5.7	174.4	45.2	0	0	0	0	114.6	L1066 L1177 F1181	L1066-S1179 WeakPolarHBondContact O-CB 3.28Å; L1177-S1179 PolarHBondContact O-N 2.86Å; S1179-F1181 WeakPolarHBondContact O-CE2 3.19Å
1180	N	79.1	Confident	76.1	Confident	126 Å²	126	62.6 Å²	62.6	67%	0.674	35%	0.347	S	S	*	.			trans	-102.1	107.3	173.2	-68.8	-35.7	0	0	0	107.8	C1178	C1178-N1180 PolarHBondContact SG-O 3.06Å
1181	F	82.5	Confident	76.4	Confident	51 Å²	51	64 Å²	64	22%	0.224	35%	0.352	C	S	.	.			trans	-106.1	150.3	-177.8	-42.6	-68.6	0	0	0	111.7	L1065 R1068 S1179 I1474	L1065-F1181 HydrophobicContact CB-CD2 4.17Å; L1065-F1181 HydrophobicContact CB-CE2 3.55Å; L1065-F1181 HydrophobicContact CB-CZ 3.89Å; R1068-F1181 HydrophobicContact CB-CE1 3.78Å; R1068-F1181 HydrophobicContact CB-CZ 4.17Å; S1179-F1181 WeakPolarHBondContact O-CE2 3.19Å; F1181-I1474 HydrophobicContact CB-CG2 3.45Å; F1181-I1474 VanDerWaalsContact CB-CG2 3.45Å; F1181-I1474 HydrophobicContact CD1-CG2 4.33Å; F1181-I1474 HydrophobicContact CG-CG2 3.86Å
1182	Y	83	Confident	76.8	Confident	105 Å²	105	60.8 Å²	60.8	41%	0.412	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.3	161.9	-174.2	-108.5	0	0	0	110	I1184 I1474 C1475 S1478	Y1182-I1184 HydrophobicContact CD1-CG1 3.89Å; Y1182-I1184 HydrophobicContact CE1-CD1 4.33Å; Y1182-I1184 HydrophobicContact CE1-CG1 3.54Å; Y1182-I1474 WeakPolarHBondContact O-CA 3.5Å; Y1182-C1475 PolarHBondContact N-O 3.41Å; Y1182-C1475 PolarHBondContact O-N 2.7Å; Y1182-S1478 VanDerWaalsContact CZ-CB 3.5Å
1183	T	85.3	Confident	77.6	Confident	61 Å²	61	61.5 Å²	61.5	37%	0.374	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.1	-175.1	-59.5	0	0	0	0	109.1	E1185 R1472 I1473	T1183-E1185 HydrophobicContact CG2-CG 4.14Å; T1183-R1472 HydrophobicContact CG2-CG 3.38Å; T1183-I1473 WeakPolarHBondContact CA-O 3.33Å
1184	I	88.2	Confident	78.9	Confident	30 Å²	30	61.2 Å²	61.2	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.9	170.9	-55.8	166.2	0	0	0	107.2	Y1182 L1186 R1472 I1473 I1481 I1483	Y1182-I1184 HydrophobicContact CD1-CG1 3.89Å; Y1182-I1184 HydrophobicContact CE1-CD1 4.33Å; Y1182-I1184 HydrophobicContact CE1-CG1 3.54Å; I1184-L1186 HydrophobicContact CG2-CG 4.49Å; I1184-R1472 CarbonylContact O-C 3.59Å; I1184-R1472 WeakPolarHBondContact O-CA 3.19Å; I1184-I1473 HydrophobicContact CB-CB 4.45Å; I1184-I1473 PolarHBondContact N-O 2.99Å; I1184-I1473 PolarHBondContact O-N 3.07Å; I1184-I1481 HydrophobicContact CD1-CG2 4.48Å; I1184-I1483 HydrophobicContact CB-CD1 4.33Å; I1184-I1483 HydrophobicContact CD1-CD1 4.14Å; I1184-I1483 HydrophobicContact CD1-CG1 4.45Å; I1184-I1483 HydrophobicContact CG2-CD1 3.7Å
1185	E	88	Confident	80	Confident	77 Å²	77	65.4 Å²	65.4	36%	0.36	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.6	169.6	-59.1	-156.3	139.6	0	0	110.5	T1183 K1470 M1471 R1472	T1183-E1185 HydrophobicContact CG2-CG 4.14Å; E1185-K1470 WeakPolarHBondContact OE2-CE 3.4Å; E1185-K1470 IonicContact OE2-NZ 3.63Å; E1185-K1470 PolarHBondContact OE2-NZ 2.82Å; E1185-M1471 WeakPolarHBondContact CA-O 3.19Å; E1185-R1472 HydrophobicContact CG-CG 4.33Å; E1185-R1472 IonicContact OE1-CZ 3.38Å; E1185-R1472 IonicContact OE1-NE 3.88Å; E1185-R1472 PolarHBondContact OE1-NE 3.06Å; E1185-R1472 IonicContact OE1-NH2 2.77Å; E1185-R1472 PolarHBondContact OE1-NH2 2.94Å
1186	L	88.6	Confident	80.9	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	172.1	-66.1	176.7	0	0	0	108.2	I1184 W1469 K1470 M1471 I1483	I1184-L1186 HydrophobicContact CG2-CG 4.49Å; L1186-W1469 HydrophobicContact CB-CZ3 4.25Å; L1186-K1470 CarbonylContact O-C 3.58Å; L1186-K1470 WeakPolarHBondContact O-CA 3.38Å; L1186-M1471 HydrophobicContact CD1-CE 3.89Å; L1186-M1471 PolarHBondContact N-O 2.89Å; L1186-M1471 PolarHBondContact O-N 3.23Å; L1186-I1483 HydrophobicContact CD1-CB 4.45Å; L1186-I1483 HydrophobicContact CD1-CD1 3.78Å; L1186-I1483 HydrophobicContact CD1-CG2 3.97Å
1187	E	89.2	Confident	81.5	Confident	59 Å²	59	58.5 Å²	58.5	28%	0.276	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.1	178.3	51.8	-172.5	-130	0	0	109.1	I1462 Y1464 W1469 K1470	E1187-I1462 HydrophobicContact CB-CD1 3.73Å; E1187-I1462 HydrophobicContact CG-CD1 3.72Å; E1187-Y1464 PolarHBondContact OE1-OH 3.13Å; E1187-W1469 WeakPolarHBondContact CA-O 3.31Å; E1187-K1470 HydrophobicContact CB-CB 4.37Å; E1187-K1470 HydrophobicContact CB-CD 4.38Å; E1187-K1470 HydrophobicContact CB-CG 4.19Å; E1187-K1470 WeakPolarHBondContact OE2-CD 3.45Å; E1187-K1470 WeakPolarHBondContact OE2-CE 3.23Å; E1187-K1470 IonicContact OE2-NZ 2.79Å; E1187-K1470 PolarHBondContact OE2-NZ 3.46Å
1188	D	85.8	Confident	81.7	Confident	42 Å²	42	58.7 Å²	58.7	23%	0.225	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	172.1	-174.4	-142.4	-35.6	0	0	0	108.8	R1201 H1468 W1469	D1188-R1201 IonicContact OD2-CZ 2.73Å; D1188-R1201 IonicContact OD2-NH1 2.69Å; D1188-R1201 IonicContact OD2-NH2 2.71Å; D1188-R1201 PolarHBondContact OD2-NH2 3.25Å; D1188-H1468 WeakPolarHBondContact O-CA 3.35Å; D1188-W1469 HydrophobicContact CB-CD2 4.25Å; D1188-W1469 HydrophobicContact CB-CH2 3.93Å; D1188-W1469 HydrophobicContact CB-CZ2 3.22Å; D1188-W1469 PolarHBondContact N-O 3.34Å; D1188-W1469 PolarHBondContact O-N 2.97Å
1189	Y	83.4	Confident	82	Confident	24 Å²	24	57.4 Å²	57.4	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.2	178.5	-68.4	-72	0	0	0	112.5	E1191 F1400 Q1404 I1462 D1463 Q1466 W1469	Y1189-E1191 PolarHBondContact O-N 3.3Å; Y1189-E1191 VanDerWaalsContact O-N 3.08Å; Y1189-F1400 AromaticContact CD1-CE1 3.7Å; Y1189-F1400 HydrophobicContact CD1-CE1 3.7Å; Y1189-F1400 HydrophobicContact CD1-CZ 4.32Å; Y1189-F1400 AromaticContact CE1-CE1 3.49Å; Y1189-F1400 HydrophobicContact CE1-CE1 3.49Å; Y1189-F1400 VanDerWaalsContact CE1-CE1 3.49Å; Y1189-F1400 AromaticContact CE1-CZ 3.69Å; Y1189-F1400 HydrophobicContact CE1-CZ 3.69Å; Y1189-F1400 HydrophobicContact CE2-CE1 4.41Å; Y1189-F1400 HydrophobicContact CE2-CZ 4.23Å; Y1189-F1400 HydrophobicContact CG-CE1 4.25Å; Y1189-F1400 AromaticContact CZ-CE1 3.88Å; Y1189-F1400 AromaticContact CZ-CZ 3.63Å; Y1189-Q1404 HydrophobicContact CD2-CG 4.14Å; Y1189-Q1404 HydrophobicContact CE2-CG 4.29Å; Y1189-I1462 HydrophobicContact CD1-CG2 4.46Å; Y1189-I1462 HydrophobicContact CE1-CG2 3.83Å; Y1189-D1463 PolarHBondContact OH-N 2.92Å; Y1189-Q1466 HydrophobicContact CD1-CB 4.36Å; Y1189-Q1466 HydrophobicContact CE1-CB 4.05Å; Y1189-W1469 PolarHBondContact O-NE1 3.18Å
1190	Y	77.2	Confident	82.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.			trans	-77.1	93.6	179.6	179	-119.9	0	0	0	109.1	L1198 L1217 V1222 V1386 W1391 L1393 L1401 A1467	Y1190-L1198 HydrophobicContact CD2-CD1 3.82Å; Y1190-L1198 HydrophobicContact CE2-CD1 4.4Å; Y1190-L1217 HydrophobicContact CD2-CD2 4.09Å; Y1190-L1217 HydrophobicContact CE2-CD1 3.91Å; Y1190-L1217 HydrophobicContact CE2-CD2 4.18Å; Y1190-V1222 HydrophobicContact CE2-CG1 4.37Å; Y1190-V1222 WeakPolarHBondContact OH-CG1 3.11Å; Y1190-V1222 WeakPolarHBondContact OH-CG2 3.24Å; Y1190-V1386 HydrophobicContact CE2-CG1 3.95Å; Y1190-V1386 HydrophobicContact CE2-CG2 4.23Å; Y1190-V1386 VanDerWaalsContact OH-CG1 3.29Å; Y1190-V1386 WeakPolarHBondContact OH-CG1 3.33Å; Y1190-W1391 HydrophobicContact CD1-CE3 4.47Å; Y1190-W1391 AromaticContact CD1-CH2 3.37Å; Y1190-W1391 HydrophobicContact CD1-CH2 3.37Å; Y1190-W1391 HydrophobicContact CD1-CZ2 4.18Å; Y1190-W1391 AromaticContact CD1-CZ3 3.59Å; Y1190-W1391 HydrophobicContact CD1-CZ3 3.59Å; Y1190-W1391 HydrophobicContact CD2-CH2 4.48Å; Y1190-W1391 HydrophobicContact CD2-CZ3 4.3Å; Y1190-W1391 HydrophobicContact CE1-CD2 4.31Å; Y1190-W1391 AromaticContact CE1-CE3 3.59Å; Y1190-W1391 HydrophobicContact CE1-CE3 3.59Å; Y1190-W1391 AromaticContact CE1-CH2 3.32Å; Y1190-W1391 HydrophobicContact CE1-CH2 3.32Å; Y1190-W1391 HydrophobicContact CE1-CZ2 4.15Å; Y1190-W1391 AromaticContact CE1-CZ3 3.03Å; Y1190-W1391 HydrophobicContact CE1-CZ3 3.03Å; Y1190-W1391 HydrophobicContact CE2-CH2 4.41Å; Y1190-W1391 AromaticContact CE2-CZ3 3.81Å; Y1190-W1391 HydrophobicContact CE2-CZ3 3.81Å; Y1190-W1391 AromaticContact CG-CH2 3.97Å; Y1190-W1391 HydrophobicContact CG-CH2 3.97Å; Y1190-W1391 HydrophobicContact CG-CZ3 4.18Å; Y1190-W1391 AromaticContact CZ-CE3 3.68Å; Y1190-W1391 AromaticContact CZ-CH2 3.85Å; Y1190-W1391 AromaticContact CZ-CZ3 3.12Å; Y1190-W1391 WeakPolarHBondContact O-CH2 3.42Å; Y1190-W1391 VanDerWaalsContact OH-CZ3 3.28Å; Y1190-W1391 WeakPolarHBondContact OH-CZ3 3.13Å; Y1190-L1393 HydrophobicContact CD1-CD2 4.41Å; Y1190-L1401 VanDerWaalsContact O-CD1 3.23Å; Y1190-L1401 WeakPolarHBondContact O-CD1 3.46Å; Y1190-A1467 VanDerWaalsContact CB-C 3.46Å; Y1190-A1467 VanDerWaalsContact CB-O 3.3Å; Y1190-A1467 WeakPolarHBondContact CB-O 3.48Å; Y1190-A1467 HydrophobicContact CD1-CB 3.72Å; Y1190-A1467 HydrophobicContact CG-CB 4.27Å; Y1190-A1467 PolarHBondContact N-O 3.3Å
1191	E	78.6	Confident	82.7	Confident	48 Å²	48	55.2 Å²	55.2	22%	0.224	26%	0.264	C	S	.	.			trans	-144.5	78.2	-168.2	-165.8	-158	153.4	0	0	111.6	Y1189 L1401 R1405 K1408	Y1189-E1191 PolarHBondContact O-N 3.3Å; Y1189-E1191 VanDerWaalsContact O-N 3.08Å; E1191-L1401 HydrophobicContact CB-CD2 4.48Å; E1191-R1405 WeakPolarHBondContact OE1-CG 3.33Å; E1191-R1405 IonicContact OE1-CZ 2.77Å; E1191-R1405 IonicContact OE1-NE 3.74Å; E1191-R1405 PolarHBondContact OE1-NE 3.5Å; E1191-R1405 IonicContact OE1-NH2 3.08Å; E1191-K1408 IonicContact OE2-NZ 3.99Å; E1191-K1408 PolarHBondContact OE2-NZ 3.47Å
1192	P	73.7	Confident	83	Confident	16 Å²	16	54.6 Å²	54.6	10%	0.104	26%	0.26	C	S	.	.			trans	-75.9	153.7	174.1	34.8	-34.5	0	0	0	111.5	L1197 W1391	P1192-L1197 CarbonylContact C-O 3.6Å; P1192-L1197 VanDerWaalsContact CA-O 3.25Å; P1192-L1197 WeakPolarHBondContact CA-O 3.36Å; P1192-W1391 HydrophobicContact CG-CE3 4.01Å; P1192-W1391 HydrophobicContact CG-CH2 3.71Å; P1192-W1391 HydrophobicContact CG-CZ3 3.3Å
1193	N	73.5	Confident	83.2	Confident	76 Å²	76	49.7 Å²	49.7	41%	0.406	24%	0.241	S	C	.	.			trans	-85.8	176.9	171.4	69.4	29.4	0	0	0	112.4	K1195 N1196 L1197	N1193-K1195 PolarHBondContact O-N 2.58Å; N1193-K1195 WeakPolarHBondContact OD1-CA 3.29Å; N1193-K1195 WeakPolarHBondContact OD1-CB 3.45Å; N1193-K1195 PolarHBondContact OD1-N 2.78Å; N1193-N1196 WeakPolarHBondContact O-CA 3.31Å; N1193-N1196 PolarHBondContact O-N 2.76Å; N1193-L1197 PolarHBondContact N-O 3.2Å; N1193-L1197 PolarHBondContact OD1-N 2.83Å
1194	L	69.6	Low	83.3	Confident	144 Å²	144	49 Å²	49	75%	0.754	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.1	178.7	-65	140.3	0	0	0	114.8	D1536	L1194-D1536 HydrophobicContact CD1-CB 4.11Å; L1194-D1536 WeakPolarHBondContact CD1-OD2 3.27Å
1195	K	76.2	Confident	83.1	Confident	178 Å²	178	47.6 Å²	47.6	77%	0.774	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	22.1	174.6	-57	-173.5	-179.1	-177.3	0	112.2	N1193 L1197	N1193-K1195 PolarHBondContact O-N 2.58Å; N1193-K1195 WeakPolarHBondContact OD1-CA 3.29Å; N1193-K1195 WeakPolarHBondContact OD1-CB 3.45Å; N1193-K1195 PolarHBondContact OD1-N 2.78Å; K1195-L1197 PolarHBondContact O-N 2.84Å; K1195-L1197 VanDerWaalsContact O-N 3.08Å
1196	N	81.8	Confident	82.8	Confident	62 Å²	62	47.4 Å²	47.4	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	60.1	11.3	-178.8	-79.7	-2.4	0	0	0	115	N1193 Y1385 V1386 G1388	N1193-N1196 WeakPolarHBondContact O-CA 3.31Å; N1193-N1196 PolarHBondContact O-N 2.76Å; N1196-Y1385 CarbonylContact O-C 3.58Å; N1196-Y1385 WeakPolarHBondContact O-CA 3.39Å; N1196-V1386 WeakPolarHBondContact CB-O 3.43Å; N1196-V1386 PolarHBondContact ND2-O 2.97Å; N1196-V1386 PolarHBondContact O-N 3.34Å; N1196-G1388 PolarHBondContact OD1-N 3.03Å
1197	L	85.6	Confident	82.3	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.12	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121	179.6	179.2	82.7	0	0	0	110.1	P1192 N1193 K1195 R1200 E1383 A1384 Y1385	P1192-L1197 CarbonylContact C-O 3.6Å; P1192-L1197 VanDerWaalsContact CA-O 3.25Å; P1192-L1197 WeakPolarHBondContact CA-O 3.36Å; N1193-L1197 PolarHBondContact N-O 3.2Å; N1193-L1197 PolarHBondContact OD1-N 2.83Å; K1195-L1197 PolarHBondContact O-N 2.84Å; K1195-L1197 VanDerWaalsContact O-N 3.08Å; L1197-R1200 HydrophobicContact CD2-CB 4.3Å; L1197-E1383 HydrophobicContact CD1-CB 3.81Å; L1197-E1383 HydrophobicContact CD1-CG 4.07Å; L1197-A1384 CarbonylContact C-O 3.48Å; L1197-A1384 WeakPolarHBondContact CD1-O 3.43Å; L1197-Y1385 HydrophobicContact CB-CD1 3.98Å; L1197-Y1385 HydrophobicContact CB-CE1 3.88Å; L1197-Y1385 HydrophobicContact CD1-CD1 4.03Å; L1197-Y1385 HydrophobicContact CD1-CD2 4.3Å; L1197-Y1385 HydrophobicContact CD1-CE1 3.66Å; L1197-Y1385 HydrophobicContact CD1-CE2 3.96Å; L1197-Y1385 HydrophobicContact CD1-CG 4.34Å; L1197-Y1385 HydrophobicContact CG-CE1 4.38Å
1198	L	84.7	Confident	82	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-38.2	179.6	-177.1	68	0	0	0	113.4	Y1190 L1217 A1384 V1386 W1469	Y1190-L1198 HydrophobicContact CD2-CD1 3.82Å; Y1190-L1198 HydrophobicContact CE2-CD1 4.4Å; L1198-L1217 HydrophobicContact CD2-CD2 3.81Å; L1198-A1384 HydrophobicContact CB-CB 4.13Å; L1198-A1384 WeakPolarHBondContact CB-O 3.19Å; L1198-A1384 HydrophobicContact CD2-CB 4.27Å; L1198-A1384 PolarHBondContact N-O 3.16Å; L1198-V1386 HydrophobicContact CB-CG2 3.95Å; L1198-V1386 HydrophobicContact CD2-CG2 3.95Å; L1198-V1386 HydrophobicContact CG-CG2 4.37Å; L1198-W1469 HydrophobicContact CD2-CB 4.18Å; L1198-W1469 HydrophobicContact CD2-CG 3.9Å; L1198-W1469 HydrophobicContact CG-CG 4.43Å
1199	F	87.9	Confident	81.8	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	156	172	56.4	-106.2	0	0	0	111.9	R1201 L1215 I1382 E1383 A1384 W1469 M1471	F1199-R1201 HydrophobicContact CB-CG 4.5Å; F1199-R1201 HydrophobicContact CD2-CG 3.8Å; F1199-R1201 HydrophobicContact CE2-CG 4.42Å; F1199-R1201 HydrophobicContact CG-CG 4.41Å; F1199-L1215 HydrophobicContact CE1-CD1 3.86Å; F1199-L1215 HydrophobicContact CE1-CD2 4.46Å; F1199-L1215 HydrophobicContact CZ-CD1 4.13Å; F1199-L1215 HydrophobicContact CZ-CD2 4.47Å; F1199-I1382 HydrophobicContact CE2-CG2 4.08Å; F1199-E1383 WeakPolarHBondContact O-CA 3.47Å; F1199-A1384 HydrophobicContact CD1-CB 3.9Å; F1199-A1384 HydrophobicContact CD2-CB 4.13Å; F1199-A1384 HydrophobicContact CE1-CB 3.5Å; F1199-A1384 VanDerWaalsContact CE1-CB 3.5Å; F1199-A1384 HydrophobicContact CE2-CB 3.75Å; F1199-A1384 HydrophobicContact CG-CB 4.21Å; F1199-A1384 HydrophobicContact CZ-CB 3.42Å; F1199-A1384 VanDerWaalsContact CZ-CB 3.42Å; F1199-A1384 PolarHBondContact O-N 3.02Å; F1199-W1469 HydrophobicContact CB-CZ2 4.17Å; F1199-W1469 AromaticContact CD1-CD2 3.88Å; F1199-W1469 HydrophobicContact CD1-CD2 3.88Å; F1199-W1469 AromaticContact CD1-CE2 3.45Å; F1199-W1469 VanDerWaalsContact CD1-CE2 3.45Å; F1199-W1469 HydrophobicContact CD1-CE3 4.11Å; F1199-W1469 AromaticContact CD1-CH2 3.62Å; F1199-W1469 HydrophobicContact CD1-CH2 3.62Å; F1199-W1469 AromaticContact CD1-CZ2 3.3Å; F1199-W1469 HydrophobicContact CD1-CZ2 3.3Å; F1199-W1469 HydrophobicContact CD1-CZ3 4.01Å; F1199-W1469 AromaticContact CE1-CD2 3.77Å; F1199-W1469 HydrophobicContact CE1-CD2 3.77Å; F1199-W1469 AromaticContact CE1-CE2 3.85Å; F1199-W1469 AromaticContact CE1-CE3 3.65Å; F1199-W1469 HydrophobicContact CE1-CE3 3.65Å; F1199-W1469 AromaticContact CE1-CH2 3.78Å; F1199-W1469 HydrophobicContact CE1-CH2 3.78Å; F1199-W1469 AromaticContact CE1-CZ2 3.85Å; F1199-W1469 HydrophobicContact CE1-CZ2 3.85Å; F1199-W1469 AromaticContact CE1-CZ3 3.68Å; F1199-W1469 HydrophobicContact CE1-CZ3 3.68Å; F1199-W1469 HydrophobicContact CG-CH2 4.19Å; F1199-W1469 AromaticContact CG-CZ2 3.96Å; F1199-W1469 HydrophobicContact CG-CZ2 3.96Å; F1199-W1469 HydrophobicContact CZ-CH2 4.47Å; F1199-W1469 HydrophobicContact CZ-CZ3 4.29Å; F1199-M1471 HydrophobicContact CE2-CE 4.06Å; F1199-M1471 HydrophobicContact CE2-SD 3.84Å; F1199-M1471 HydrophobicContact CZ-CB 4.47Å; F1199-M1471 HydrophobicContact CZ-CE 4.14Å; F1199-M1471 HydrophobicContact CZ-SD 3.6Å
1200	R	86.9	Confident	81.9	Confident	81 Å²	81	50 Å²	50	31%	0.306	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.5	163.7	176.1	-176.9	-82.3	-154.5	-4.9	109.9	L1197 W1381 I1382 E1383 D1487	L1197-R1200 HydrophobicContact CD2-CB 4.3Å; R1200-W1381 HydrophobicContact CG-CD2 4.25Å; R1200-W1381 HydrophobicContact CG-CE3 3.44Å; R1200-W1381 VanDerWaalsContact CG-CE3 3.44Å; R1200-W1381 HydrophobicContact CG-CZ3 3.82Å; R1200-I1382 WeakPolarHBondContact CA-O 3Å; R1200-E1383 HydrophobicContact CB-CG 4.35Å; R1200-E1383 HydrophobicContact CG-CG 4.21Å; R1200-E1383 IonicContact CZ-OE1 2.68Å; R1200-E1383 IonicContact NE-OE1 3.53Å; R1200-E1383 PolarHBondContact NE-OE1 3.24Å; R1200-E1383 IonicContact NH2-OE1 2.75Å; R1200-E1383 PolarHBondContact NH2-OE1 3.02Å; R1200-D1487 PolarHBondContact N-OD2 2.85Å
1201	R	87.7	Confident	82.5	Confident	22 Å²	22	50.1 Å²	50.1	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.4	-178.3	-55.4	-67.7	165.3	116.3	-5.9	109.7	D1188 F1199 I1382 I1483 M1484	D1188-R1201 IonicContact OD2-CZ 2.73Å; D1188-R1201 IonicContact OD2-NH1 2.69Å; D1188-R1201 IonicContact OD2-NH2 2.71Å; D1188-R1201 PolarHBondContact OD2-NH2 3.25Å; F1199-R1201 HydrophobicContact CB-CG 4.5Å; F1199-R1201 HydrophobicContact CD2-CG 3.8Å; F1199-R1201 HydrophobicContact CE2-CG 4.42Å; F1199-R1201 HydrophobicContact CG-CG 4.41Å; R1201-I1382 PolarHBondContact N-O 3.08Å; R1201-I1382 PolarHBondContact O-N 3.04Å; R1201-I1483 HydrophobicContact CB-CG2 3.82Å; R1201-M1484 CarbonylContact C-O 3.29Å; R1201-M1484 WeakPolarHBondContact CA-O 3.45Å
1202	R	87.7	Confident	83.1	Confident	38 Å²	38	47.9 Å²	47.9	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.9	175.7	174.1	172.3	168.7	172.7	-6.1	109.7	I1204 D1254 Y1379 W1381 I1483 M1484 M1486	R1202-I1204 HydrophobicContact CG-CG1 4.29Å; R1202-D1254 IonicContact NH2-OD2 3.79Å; R1202-D1254 PolarHBondContact NH2-OD2 2.97Å; R1202-Y1379 VanDerWaalsContact NH1-CE1 3.25Å; R1202-W1381 HydrophobicContact CB-CD2 4.41Å; R1202-W1381 HydrophobicContact CB-CE3 3.79Å; R1202-W1381 HydrophobicContact CB-CH2 4.24Å; R1202-W1381 HydrophobicContact CB-CZ3 3.71Å; R1202-I1483 CarbonylContact O-C 3.58Å; R1202-I1483 WeakPolarHBondContact O-CA 3.38Å; R1202-M1484 HydrophobicContact CB-CB 4.48Å; R1202-M1484 PolarHBondContact N-O 3.14Å; R1202-M1484 PolarHBondContact O-N 3.36Å; R1202-M1486 HydrophobicContact CB-CG 4.17Å
1203	I	88.3	Confident	84	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.4	167.4	-27.7	174.2	0	0	0	109.4	I1251 Y1380 I1382 I1481	I1203-I1251 HydrophobicContact CB-CD1 4.21Å; I1203-I1251 HydrophobicContact CD1-CD1 3.48Å; I1203-I1251 VanDerWaalsContact CD1-CD1 3.48Å; I1203-I1251 HydrophobicContact CD1-CG1 4.46Å; I1203-I1251 HydrophobicContact CG1-CD1 4.45Å; I1203-I1251 HydrophobicContact CG2-CD1 3.72Å; I1203-Y1380 PolarHBondContact N-O 3.46Å; I1203-I1382 HydrophobicContact CD1-CD1 3.83Å; I1203-I1382 HydrophobicContact CD1-CG1 3.48Å; I1203-I1382 VanDerWaalsContact CD1-CG1 3.48Å; I1203-I1382 HydrophobicContact CG1-CD1 3.85Å; I1203-I1382 HydrophobicContact CG1-CG1 3.62Å; I1203-I1481 HydrophobicContact CG2-CG2 3.56Å
1204	I	86.6	Confident	84.8	Confident	46 Å²	46	44.4 Å²	44.4	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.6	169.7	-62.5	175.9	0	0	0	106.8	R1202 I1481 K1482 M1484	R1202-I1204 HydrophobicContact CG-CG1 4.29Å; I1204-I1481 WeakPolarHBondContact O-CA 3.31Å; I1204-K1482 HydrophobicContact CB-CB 4.49Å; I1204-K1482 PolarHBondContact N-O 2.89Å; I1204-K1482 PolarHBondContact O-N 3.07Å; I1204-M1484 HydrophobicContact CD1-SD 3.88Å
1205	A	84.2	Confident	85.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.1	174.9	0	0	0	0	0	110.9	I1251 D1254 D1480	A1205-I1251 HydrophobicContact CB-CB 4.25Å; A1205-I1251 HydrophobicContact CB-CG2 3.59Å; A1205-D1254 PolarHBondContact O-N 3.47Å; A1205-D1480 CarbonylContact C-O 3.48Å; A1205-D1480 VanDerWaalsContact CA-O 3.25Å; A1205-D1480 WeakPolarHBondContact CA-O 3.35Å
1206	S	80.6	Confident	86.4	Confident	72 Å²	72	30 Å²	30	50%	0.503	15%	0.153	S	C	.	.	S	Bend	trans	-97	-11.4	176	59.3	0	0	0	0	114.6	D1480	S1206-D1480 PolarHBondContact N-O 3.09Å; S1206-D1480 WeakPolarHBondContact OG-CA 3.33Å; S1206-D1480 PolarHBondContact OG-OD1 3.39Å
1207	N	78.8	Confident	86.7	Confident	93 Å²	93	27.2 Å²	27.2	50%	0.497	14%	0.139	S	C	.	.	S	Bend	trans	-145.6	151.8	172.6	-67.6	-70.1	0	0	0	107.4	S1209 D1480	N1207-S1209 WeakPolarHBondContact O-CB 3.24Å; N1207-S1209 PolarHBondContact O-N 3.42Å; N1207-S1209 VanDerWaalsContact O-N 3.1Å; N1207-S1209 PolarHBondContact O-OG 2.94Å; N1207-D1480 PolarHBondContact ND2-OD1 3.48Å
1208	D	82.4	Confident	86.6	Confident	112 Å²	112	26.1 Å²	26.1	60%	0.599	13%	0.133	S	C	*	.			trans	-55.7	117.9	177.5	-64.1	-10.5	0	0	0	110.3	I1251 L1252 A1253	D1208-I1251 CarbonylContact C-O 3.34Å; D1208-I1251 WeakPolarHBondContact CA-O 3.41Å; D1208-L1252 WeakPolarHBondContact OD1-CA 3.49Å; D1208-A1253 PolarHBondContact OD1-N 3.25Å
1209	S	82.5	Confident	86.4	Confident	9 Å²	9	25.7 Å²	25.7	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	114	-162.9	-70.8	0	0	0	0	111.8	N1207 I1251	N1207-S1209 WeakPolarHBondContact O-CB 3.24Å; N1207-S1209 PolarHBondContact O-N 3.42Å; N1207-S1209 VanDerWaalsContact O-N 3.1Å; N1207-S1209 PolarHBondContact O-OG 2.94Å; S1209-I1251 PolarHBondContact N-O 3.05Å; S1209-I1251 PolarHBondContact O-N 3.46Å
1210	L	86.1	Confident	85.7	Confident	13 Å²	13	27.1 Å²	27.1	7%	0.068	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.2	165	-174.4	60.8	0	0	0	109.6	R1068 A1248 Y1249 I1250	R1068-L1210 HydrophobicContact CG-CD2 3.76Å; R1068-L1210 HydrophobicContact CG-CG 4.46Å; R1068-L1210 PolarHBondContact NH2-O 3.36Å; L1210-A1248 HydrophobicContact CD1-CB 4.1Å; L1210-Y1249 CarbonylContact C-O 3.58Å; L1210-Y1249 WeakPolarHBondContact CA-O 3.22Å; L1210-I1250 HydrophobicContact CD1-CG1 3.84Å
1211	I	89.8	Confident	85.2	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.5	178.7	54.9	149.9	0	0	0	112.6	I1213 I1228 A1248 Y1249 I1251 I1473 I1474 C1475 I1481	I1211-I1213 HydrophobicContact CD1-CD1 3.8Å; I1211-I1213 HydrophobicContact CD1-CG1 3.93Å; I1211-I1228 HydrophobicContact CD1-CD1 3.75Å; I1211-A1248 CarbonylContact O-C 3.57Å; I1211-A1248 VanDerWaalsContact O-CA 3.29Å; I1211-A1248 WeakPolarHBondContact O-CA 3.31Å; I1211-Y1249 WeakPolarHBondContact CG1-O 3.3Å; I1211-Y1249 PolarHBondContact N-O 2.98Å; I1211-Y1249 PolarHBondContact O-N 3.45Å; I1211-I1251 HydrophobicContact CD1-CD1 3.59Å; I1211-I1251 HydrophobicContact CD1-CG1 3.97Å; I1211-I1251 HydrophobicContact CG1-CD1 3.96Å; I1211-I1251 HydrophobicContact CG1-CG1 4.05Å; I1211-I1251 HydrophobicContact CG2-CD1 3.99Å; I1211-I1473 HydrophobicContact CB-CG2 4.39Å; I1211-I1473 HydrophobicContact CG2-CG2 4.34Å; I1211-I1474 WeakPolarHBondContact CA-O 3.41Å; I1211-C1475 HydrophobicContact CG2-CB 4.43Å; I1211-I1481 HydrophobicContact CG2-CD1 3.2Å
1212	T	90	Very high	84.9	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.1	171.9	-56.3	0	0	0	0	106.5	R1068 I1246 Y1247 I1473 I1474	R1068-T1212 WeakPolarHBondContact CD-OG1 3.25Å; R1068-T1212 VanDerWaalsContact NH1-N 3.16Å; R1068-T1212 PolarHBondContact NH1-OG1 2.96Å; T1212-I1246 CarbonylContact C-O 3.51Å; T1212-I1246 WeakPolarHBondContact CA-O 3.31Å; T1212-Y1247 VanDerWaalsContact CB-O 3.31Å; T1212-Y1247 WeakPolarHBondContact CB-O 3.16Å; T1212-Y1247 VanDerWaalsContact CG2-O 3.26Å; T1212-Y1247 WeakPolarHBondContact CG2-O 3.38Å; T1212-Y1247 PolarHBondContact OG1-O 2.97Å; T1212-I1473 CarbonylContact O-C 3.22Å; T1212-I1473 WeakPolarHBondContact O-CA 3.5Å; T1212-I1474 PolarHBondContact N-O 3.28Å; T1212-I1474 VanDerWaalsContact N-O 3.13Å; T1212-I1474 PolarHBondContact O-N 3.31Å
1213	I	92	Very high	84.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	-178.8	-51	174.6	0	0	0	109.2	I1211 L1226 I1228 C1245 I1246 I1382 M1471 R1472 I1473	I1211-I1213 HydrophobicContact CD1-CD1 3.8Å; I1211-I1213 HydrophobicContact CD1-CG1 3.93Å; I1213-L1226 HydrophobicContact CB-CD2 4.08Å; I1213-L1226 HydrophobicContact CG2-CD1 4.31Å; I1213-L1226 HydrophobicContact CG2-CD2 3.68Å; I1213-I1228 HydrophobicContact CD1-CD1 3.84Å; I1213-I1228 HydrophobicContact CD1-CG1 4.03Å; I1213-C1245 CarbonylContact O-C 3.55Å; I1213-C1245 WeakPolarHBondContact O-CA 3.39Å; I1213-C1245 PolarHBondContact O-SG 2.87Å; I1213-C1245 VanDerWaalsContact O-SG 3.34Å; I1213-I1246 HydrophobicContact CB-CB 4.44Å; I1213-I1246 PolarHBondContact N-O 3.13Å; I1213-I1246 PolarHBondContact O-N 3.4Å; I1213-I1382 HydrophobicContact CD1-CD1 3.85Å; I1213-I1382 HydrophobicContact CD1-CG1 3.99Å; I1213-I1382 HydrophobicContact CD1-CG2 4.27Å; I1213-M1471 HydrophobicContact CG2-CG 3.76Å; I1213-M1471 HydrophobicContact CG2-SD 3.62Å; I1213-R1472 WeakPolarHBondContact CA-O 3.47Å; I1213-I1473 HydrophobicContact CD1-CD1 4.39Å; I1213-I1473 HydrophobicContact CG1-CD1 4.23Å; I1213-I1473 HydrophobicContact CG1-CG1 4.22Å; I1213-I1473 HydrophobicContact CG1-CG2 4.28Å; I1213-I1473 HydrophobicContact CG2-CG1 4.23Å
1214	H	91.1	Very high	84.9	Confident	18 Å²	18	28.4 Å²	28.4	8%	0.083	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	171.3	-170.2	-129.7	0	0	0	110.3	W1062 M1471 R1472	W1062-H1214 AromaticContact CD2-ND1 3.82Å; W1062-H1214 HydrophobicContact CE3-CB 4.12Å; W1062-H1214 AromaticContact CE3-CG 3.93Å; W1062-H1214 AromaticContact CE3-ND1 3.04Å; W1062-H1214 HydrophobicContact CZ3-CB 3.98Å; W1062-H1214 AromaticContact CZ3-CG 3.94Å; W1062-H1214 AromaticContact CZ3-ND1 3.27Å; W1062-H1214 VanDerWaalsContact CZ3-ND1 3.27Å; W1062-H1214 WeakPolarHBondContact CZ3-ND1 3.46Å; H1214-M1471 CarbonylContact O-C 3.31Å; H1214-M1471 VanDerWaalsContact O-CA 3.31Å; H1214-M1471 WeakPolarHBondContact O-CA 3.5Å; H1214-R1472 PolarHBondContact N-O 2.67Å; H1214-R1472 PolarHBondContact O-N 3.31Å
1215	L	91.3	Very high	85.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.5	172.8	174.6	64	0	0	0	109	F1199 L1217 L1226 G1243 A1244 A1384 W1469 M1471	F1199-L1215 HydrophobicContact CE1-CD1 3.86Å; F1199-L1215 HydrophobicContact CE1-CD2 4.46Å; F1199-L1215 HydrophobicContact CZ-CD1 4.13Å; F1199-L1215 HydrophobicContact CZ-CD2 4.47Å; L1215-L1217 HydrophobicContact CD1-CD2 4.46Å; L1215-L1226 HydrophobicContact CB-CD2 4.23Å; L1215-L1226 HydrophobicContact CD2-CD1 4.48Å; L1215-G1243 CarbonylContact O-C 3.59Å; L1215-G1243 WeakPolarHBondContact O-CA 3.4Å; L1215-A1244 PolarHBondContact N-O 2.81Å; L1215-A1244 PolarHBondContact O-N 3.39Å; L1215-A1384 HydrophobicContact CD2-CB 3.64Å; L1215-W1469 HydrophobicContact CD1-CB 4.27Å; L1215-W1469 HydrophobicContact CD1-CE3 4.1Å; L1215-M1471 HydrophobicContact CD1-CB 4.24Å
1216	R	88.4	Confident	85.6	Confident	19 Å²	19	29.5 Å²	29.5	7%	0.072	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150	167.1	-88.8	179.3	138.1	-170.3	-7.4	110.9	Y1041 M1043 K1060 D1061 W1062 G1242 W1469 K1470	Y1041-R1216 PolarHBondContact O-NH1 3.24Å; M1043-R1216 HydrophobicContact CE-CB 4.02Å; M1043-R1216 HydrophobicContact SD-CB 3.46Å; M1043-R1216 WeakPolarHBondContact SD-CB 3.2Å; M1043-R1216 HydrophobicContact SD-CG 4.32Å; K1060-R1216 VanDerWaalsContact O-CZ 3.27Å; K1060-R1216 PolarHBondContact O-NE 3.09Å; K1060-R1216 VanDerWaalsContact O-NE 3.14Å; K1060-R1216 PolarHBondContact O-NH2 3.34Å; D1061-R1216 VanDerWaalsContact CA-NH2 3.33Å; D1061-R1216 IonicContact OD1-CZ 2.78Å; D1061-R1216 IonicContact OD1-NH1 3.58Å; D1061-R1216 PolarHBondContact OD1-NH1 2.92Å; D1061-R1216 IonicContact OD1-NH2 2.66Å; D1061-R1216 PolarHBondContact OD1-NH2 3.5Å; D1061-R1216 IonicContact OD2-CZ 2.7Å; D1061-R1216 IonicContact OD2-NH1 3.93Å; D1061-R1216 IonicContact OD2-NH2 3.51Å; D1061-R1216 PolarHBondContact OD2-NH2 3.35Å; W1062-R1216 HydrophobicContact CH2-CB 4.35Å; W1062-R1216 HydrophobicContact CZ2-CB 4.4Å; R1216-G1242 CarbonylContact C-O 3.52Å; R1216-G1242 WeakPolarHBondContact CA-O 3.17Å; R1216-W1469 WeakPolarHBondContact O-CA 3.31Å; R1216-K1470 PolarHBondContact N-O 2.85Å; R1216-K1470 PolarHBondContact O-N 3.4Å
1217	L	87.8	Confident	86.2	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.7	174.4	-51.9	-179.5	0	0	0	108.8	M1043 Y1190 L1198 L1215 V1219 V1222 T1224 G1242 V1386 W1469	M1043-L1217 VanDerWaalsContact CE-C 3.41Å; Y1190-L1217 HydrophobicContact CD2-CD2 4.09Å; Y1190-L1217 HydrophobicContact CE2-CD1 3.91Å; Y1190-L1217 HydrophobicContact CE2-CD2 4.18Å; L1198-L1217 HydrophobicContact CD2-CD2 3.81Å; L1215-L1217 HydrophobicContact CD1-CD2 4.46Å; L1217-V1219 PolarHBondContact O-N 2.95Å; L1217-V1222 HydrophobicContact CD1-CB 4.01Å; L1217-V1222 HydrophobicContact CD1-CG1 3.44Å; L1217-V1222 VanDerWaalsContact CD1-CG1 3.44Å; L1217-T1224 HydrophobicContact CD1-CG2 3.97Å; L1217-T1224 HydrophobicContact CG-CG2 4.46Å; L1217-G1242 PolarHBondContact N-O 3.3Å; L1217-V1386 HydrophobicContact CD1-CG2 4.41Å; L1217-W1469 HydrophobicContact CD2-CB 3.61Å
1218	S	83.9	Confident	86.9	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-61.7	-28.1	175.9	48.7	0	0	0	0	113.1	H1044 H1045 T1046 A1467 H1468	H1044-S1218 WeakPolarHBondContact O-CB 3.4Å; H1045-S1218 WeakPolarHBondContact CA-O 3.4Å; H1045-S1218 PolarHBondContact ND1-O 3.07Å; T1046-S1218 WeakPolarHBondContact OG1-CB 3.29Å; T1046-S1218 PolarHBondContact OG1-OG 3.37Å; T1046-S1218 VanDerWaalsContact OG1-OG 3.11Å; S1218-A1467 WeakPolarHBondContact OG-CA 3.29Å; S1218-H1468 WeakPolarHBondContact CB-O 3.37Å; S1218-H1468 PolarHBondContact N-O 2.75Å; S1218-H1468 PolarHBondContact OG-N 3.44Å; S1218-H1468 PolarHBondContact OG-O 3Å
1219	V	80.2	Confident	87.2	Confident	3 Å²	3	17.6 Å²	17.6	2%	0.018	8%	0.083	C	C	.	.			trans	-92.5	116.5	173.8	-177.3	0	0	0	0	110.1	L1217 V1222 P1392	L1217-V1219 PolarHBondContact O-N 2.95Å; V1219-V1222 HydrophobicContact CB-CG2 3.9Å; V1219-V1222 HydrophobicContact CG1-CB 4.43Å; V1219-V1222 HydrophobicContact CG1-CG2 3.53Å; V1219-P1392 HydrophobicContact CB-CG 4.49Å; V1219-P1392 HydrophobicContact CG1-CG 3.48Å; V1219-P1392 VanDerWaalsContact CG1-CG 3.48Å; V1219-P1392 HydrophobicContact CG2-CG 4.35Å
1220	P	73.9	Confident	87.4	Confident	32 Å²	32	19.9 Å²	19.9	21%	0.208	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.8	-176.2	29.4	-34.6	0	0	0	114.1	V1222 Y1241 G1242	P1220-V1222 PolarHBondContact O-N 3.45Å; P1220-Y1241 CarbonylContact O-C 3.56Å; P1220-G1242 VanDerWaalsContact O-CA 3.29Å; P1220-G1242 WeakPolarHBondContact O-CA 3.16Å; P1220-G1242 PolarHBondContact O-N 2.95Å
1221	N	76.6	Confident	87.1	Confident	95 Å²	95	19.6 Å²	19.6	51%	0.508	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	6.2	-172.8	-64	1.2	0	0	0	114
1222	V	80.8	Confident	86.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.			trans	-92	124.8	-176.2	164.1	0	0	0	0	110.7	Y1190 L1217 V1219 P1220 Y1241 G1242 V1386 N1390 P1392	Y1190-V1222 HydrophobicContact CE2-CG1 4.37Å; Y1190-V1222 WeakPolarHBondContact OH-CG1 3.11Å; Y1190-V1222 WeakPolarHBondContact OH-CG2 3.24Å; L1217-V1222 HydrophobicContact CD1-CB 4.01Å; L1217-V1222 HydrophobicContact CD1-CG1 3.44Å; L1217-V1222 VanDerWaalsContact CD1-CG1 3.44Å; V1219-V1222 HydrophobicContact CB-CG2 3.9Å; V1219-V1222 HydrophobicContact CG1-CB 4.43Å; V1219-V1222 HydrophobicContact CG1-CG2 3.53Å; P1220-V1222 PolarHBondContact O-N 3.45Å; V1222-Y1241 CarbonylContact O-C 3.59Å; V1222-Y1241 VanDerWaalsContact O-CA 3.31Å; V1222-Y1241 WeakPolarHBondContact O-CA 3.31Å; V1222-G1242 PolarHBondContact O-N 3.36Å; V1222-V1386 HydrophobicContact CG1-CG1 3.29Å; V1222-N1390 WeakPolarHBondContact CG2-O 3.46Å; V1222-P1392 HydrophobicContact CG2-CG 4.32Å
1223	Y	86.9	Confident	86.1	Confident	74 Å²	74	32 Å²	32	29%	0.29	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.6	171.4	-178.2	-103.3	0	0	0	111.7	E1239 G1240 Y1241 D1387	Y1223-E1239 HydrophobicContact CE2-CB 4.15Å; Y1223-E1239 PolarHBondContact OH-OE1 3.12Å; Y1223-E1239 PolarHBondContact OH-OE2 3.45Å; Y1223-G1240 WeakPolarHBondContact CA-O 3.32Å; Y1223-Y1241 HydrophobicContact CD2-CD2 4.24Å; Y1223-Y1241 HydrophobicContact CD2-CE1 4.33Å; Y1223-Y1241 AromaticContact CD2-CE2 3.84Å; Y1223-Y1241 HydrophobicContact CD2-CE2 3.84Å; Y1223-Y1241 AromaticContact CD2-CZ 3.89Å; Y1223-Y1241 HydrophobicContact CG-CE1 4.49Å; Y1223-D1387 HydrophobicContact CD1-CB 4.37Å; Y1223-D1387 PolarHBondContact O-N 2.85Å
1224	T	89.2	Confident	85.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.4	-178.8	-176.9	0	0	0	0	112.7	L1217 E1239 G1240 A1244 Y1385	L1217-T1224 HydrophobicContact CD1-CG2 3.97Å; L1217-T1224 HydrophobicContact CG-CG2 4.46Å; T1224-E1239 WeakPolarHBondContact O-CA 3.36Å; T1224-G1240 PolarHBondContact N-O 3.33Å; T1224-G1240 PolarHBondContact O-N 3.23Å; T1224-A1244 HydrophobicContact CG2-CB 4.34Å; T1224-Y1385 CarbonylContact C-O 3.58Å; T1224-Y1385 VanDerWaalsContact CA-O 3.23Å; T1224-Y1385 WeakPolarHBondContact CA-O 3.19Å; T1224-Y1385 WeakPolarHBondContact CB-O 3.28Å; T1224-Y1385 PolarHBondContact OG1-O 3.42Å
1225	R	91.8	Very high	85.6	Confident	71 Å²	71	37.4 Å²	37.4	27%	0.268	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.6	176.1	179.4	-177.1	-177	117.9	-6	109.2	E1234 F1237 A1238 E1239 A1384 Y1385	R1225-E1234 IonicContact CZ-OE1 3.59Å; R1225-E1234 IonicContact NE-OE1 2.7Å; R1225-E1234 IonicContact NH2-OE1 2.67Å; R1225-E1234 PolarHBondContact NH2-OE1 3.4Å; R1225-F1237 HydrophobicContact CG-CD2 4.33Å; R1225-F1237 VanDerWaalsContact CZ-CD2 3.46Å; R1225-A1238 CarbonylContact C-O 3.58Å; R1225-A1238 WeakPolarHBondContact CA-O 3.34Å; R1225-E1239 HydrophobicContact CB-CG 3.77Å; R1225-E1239 VanDerWaalsContact CD-OE1 3.3Å; R1225-E1239 WeakPolarHBondContact CD-OE1 3.24Å; R1225-E1239 HydrophobicContact CG-CG 3.71Å; R1225-E1239 IonicContact CZ-OE1 2.71Å; R1225-E1239 IonicContact NE-OE1 2.75Å; R1225-E1239 IonicContact NH1-OE1 3.57Å; R1225-E1239 PolarHBondContact NH1-OE1 3.3Å; R1225-A1384 CarbonylContact O-C 3.54Å; R1225-A1384 WeakPolarHBondContact O-CA 3.38Å; R1225-Y1385 PolarHBondContact N-O 3.44Å; R1225-Y1385 PolarHBondContact O-N 3.13Å
1226	L	93.8	Very high	85.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.9	173.6	174.3	71.1	0	0	0	108.4	I1213 L1215 F1237 A1238 A1244 I1246 I1382 M1471	I1213-L1226 HydrophobicContact CB-CD2 4.08Å; I1213-L1226 HydrophobicContact CG2-CD1 4.31Å; I1213-L1226 HydrophobicContact CG2-CD2 3.68Å; L1215-L1226 HydrophobicContact CB-CD2 4.23Å; L1215-L1226 HydrophobicContact CD2-CD1 4.48Å; L1226-F1237 CarbonylContact O-C 3.56Å; L1226-F1237 VanDerWaalsContact O-CA 3.22Å; L1226-F1237 WeakPolarHBondContact O-CA 3.48Å; L1226-A1238 PolarHBondContact N-O 3.41Å; L1226-A1238 PolarHBondContact O-N 3.47Å; L1226-A1244 HydrophobicContact CB-CB 3.77Å; L1226-I1246 HydrophobicContact CD2-CD1 4.17Å; L1226-I1246 HydrophobicContact CD2-CG1 4.09Å; L1226-I1246 HydrophobicContact CG-CD1 3.97Å; L1226-I1246 HydrophobicContact CG-CG1 4.33Å; L1226-I1382 HydrophobicContact CD1-CG2 3.66Å; L1226-M1471 HydrophobicContact CD1-SD 4.49Å
1227	C	93.3	Very high	85.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.6	176.4	68.2	0	0	0	0	114	E1234 I1236 F1237 I1382 E1383	C1227-E1234 HydrophobicContact CB-CG 3.99Å; C1227-E1234 PolarHBondContact SG-OE2 3.43Å; C1227-I1236 CarbonylContact C-O 3.54Å; C1227-I1236 VanDerWaalsContact CA-O 3.28Å; C1227-I1236 WeakPolarHBondContact CA-O 3.45Å; C1227-I1236 WeakPolarHBondContact CB-O 3.26Å; C1227-F1237 HydrophobicContact CB-CB 3.51Å; C1227-I1382 WeakPolarHBondContact O-CA 3.37Å; C1227-E1383 PolarHBondContact N-O 3.46Å; C1227-E1383 PolarHBondContact O-N 3.42Å
1228	I	92.2	Very high	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130	169.3	-60.3	169.8	0	0	0	107.9	I1211 I1213 M1235 I1236 I1246 Y1249 Y1380 W1381	I1211-I1228 HydrophobicContact CD1-CD1 3.75Å; I1213-I1228 HydrophobicContact CD1-CD1 3.84Å; I1213-I1228 HydrophobicContact CD1-CG1 4.03Å; I1228-M1235 PolarHBondContact O-N 3.37Å; I1228-I1236 HydrophobicContact CB-CG2 3.88Å; I1228-I1236 HydrophobicContact CD1-CG2 3.87Å; I1228-I1236 HydrophobicContact CG1-CG2 4.15Å; I1228-I1236 PolarHBondContact N-O 3.29Å; I1228-I1236 PolarHBondContact O-N 3.44Å; I1228-I1246 HydrophobicContact CD1-CD1 4.07Å; I1228-I1246 HydrophobicContact CD1-CG2 4.33Å; I1228-I1246 HydrophobicContact CG1-CD1 3.84Å; I1228-Y1249 HydrophobicContact CD1-CD1 3.73Å; I1228-Y1249 HydrophobicContact CD1-CG 3.83Å; I1228-Y1249 HydrophobicContact CG2-CD1 4.34Å; I1228-Y1249 HydrophobicContact CG2-CE1 4.09Å; I1228-Y1380 HydrophobicContact CG2-CD1 4.34Å; I1228-W1381 CarbonylContact C-O 3.56Å; I1228-W1381 VanDerWaalsContact CA-O 3.27Å; I1228-W1381 WeakPolarHBondContact CA-O 3.22Å
1229	K	89.4	Confident	85.9	Confident	27 Å²	27	48 Å²	48	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.9	173.8	-54.2	-160.1	172.3	146.5	0	111.1	K1233 E1234 Y1380 W1381 E1383 Y1385	K1229-K1233 CarbonylContact C-O 3.51Å; K1229-K1233 WeakPolarHBondContact CA-O 3.47Å; K1229-K1233 WeakPolarHBondContact CB-O 3.47Å; K1229-E1234 HydrophobicContact CD-CB 4.41Å; K1229-E1234 WeakPolarHBondContact CE-OE2 3.31Å; K1229-E1234 HydrophobicContact CG-CB 4.27Å; K1229-E1234 HydrophobicContact CG-CG 4.27Å; K1229-E1234 IonicContact NZ-OE2 2.83Å; K1229-Y1380 CarbonylContact O-C 3.24Å; K1229-Y1380 WeakPolarHBondContact O-CA 3.14Å; K1229-W1381 HydrophobicContact CB-CB 4.47Å; K1229-W1381 PolarHBondContact N-O 2.92Å; K1229-W1381 PolarHBondContact O-N 3.31Å; K1229-E1383 VanDerWaalsContact CD-OE2 3.23Å; K1229-E1383 WeakPolarHBondContact CD-OE2 3.34Å; K1229-E1383 WeakPolarHBondContact CE-OE2 3.26Å; K1229-E1383 IonicContact NZ-OE2 3.03Å; K1229-E1383 PolarHBondContact NZ-OE2 3.26Å; K1229-Y1385 PolarHBondContact NZ-OH 3.08Å; K1229-Y1385 VanDerWaalsContact NZ-OH 3.15Å
1230	M	86.2	Confident	86.2	Confident	57 Å²	57	48.7 Å²	48.7	28%	0.281	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111	167.1	-167.4	-178.6	76.1	0	0	106.2	N1232 K1233 M1235 E1377 Y1379 Y1380	M1230-N1232 PolarHBondContact O-N 3.49Å; M1230-K1233 PolarHBondContact N-O 2.78Å; M1230-K1233 WeakPolarHBondContact O-CB 3.28Å; M1230-K1233 PolarHBondContact O-N 2.76Å; M1230-M1235 HydrophobicContact CB-CG 3.83Å; M1230-M1235 HydrophobicContact CB-SD 4.15Å; M1230-E1377 CarbonylContact C-O 3.54Å; M1230-E1377 VanDerWaalsContact C-O 3.3Å; M1230-Y1379 WeakPolarHBondContact CA-O 3.31Å; M1230-Y1380 HydrophobicContact CB-CD1 4.12Å; M1230-Y1380 HydrophobicContact CB-CE1 4Å; M1230-Y1380 HydrophobicContact CG-CD1 4.18Å; M1230-Y1380 HydrophobicContact CG-CE1 3.89Å; M1230-Y1380 HydrophobicContact SD-CE1 3.94Å
1231	G	80.2	Confident	86.7	Confident	6 Å²	6	53.6 Å²	53.6	6%	0.062	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-124.9	-165.2	0	0	0	0	0	111	E1377 Y1379	G1231-E1377 WeakPolarHBondContact CA-O 3.41Å; G1231-E1377 PolarHBondContact N-O 3.32Å; G1231-Y1379 PolarHBondContact N-O 2.98Å
1232	N	77.8	Confident	86.8	Confident	130 Å²	130	49.6 Å²	49.6	70%	0.695	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.8	173.8	-65.9	-60.2	0	0	0	113.9	M1230	M1230-N1232 PolarHBondContact O-N 3.49Å
1233	K	81	Confident	87.1	Confident	134 Å²	134	50.2 Å²	50.2	58%	0.583	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.1	-173.5	-176.4	-179.3	177.8	-177.6	0	111.3	K1229 M1230 M1235	K1229-K1233 CarbonylContact C-O 3.51Å; K1229-K1233 WeakPolarHBondContact CA-O 3.47Å; K1229-K1233 WeakPolarHBondContact CB-O 3.47Å; M1230-K1233 PolarHBondContact N-O 2.78Å; M1230-K1233 WeakPolarHBondContact O-CB 3.28Å; M1230-K1233 PolarHBondContact O-N 2.76Å; K1233-M1235 HydrophobicContact CD-SD 4.06Å; K1233-M1235 HydrophobicContact CG-SD 4.2Å
1234	E	86.2	Confident	87.2	Confident	62 Å²	62	46.9 Å²	46.9	29%	0.29	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.4	172.6	-162.1	161.4	116.3	0	0	111.1	R1225 C1227 K1229 F1237	R1225-E1234 IonicContact CZ-OE1 3.59Å; R1225-E1234 IonicContact NE-OE1 2.7Å; R1225-E1234 IonicContact NH2-OE1 2.67Å; R1225-E1234 PolarHBondContact NH2-OE1 3.4Å; C1227-E1234 HydrophobicContact CB-CG 3.99Å; C1227-E1234 PolarHBondContact SG-OE2 3.43Å; K1229-E1234 HydrophobicContact CD-CB 4.41Å; K1229-E1234 WeakPolarHBondContact CE-OE2 3.31Å; K1229-E1234 HydrophobicContact CG-CB 4.27Å; K1229-E1234 HydrophobicContact CG-CG 4.27Å; K1229-E1234 IonicContact NZ-OE2 2.83Å; E1234-F1237 WeakPolarHBondContact OE1-CB 3.26Å; E1234-F1237 WeakPolarHBondContact OE1-CD1 3.46Å
1235	M	86	Confident	87.3	Confident	70 Å²	70	47.8 Å²	47.8	35%	0.345	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-38.2	-173.7	-62.8	-61.3	-67.5	0	0	112.2	I1228 M1230 K1233 Y1249	I1228-M1235 PolarHBondContact O-N 3.37Å; M1230-M1235 HydrophobicContact CB-CG 3.83Å; M1230-M1235 HydrophobicContact CB-SD 4.15Å; K1233-M1235 HydrophobicContact CD-SD 4.06Å; K1233-M1235 HydrophobicContact CG-SD 4.2Å; M1235-Y1249 HydrophobicContact CB-CE2 4.02Å; M1235-Y1249 WeakPolarHBondContact CE-OH 3.4Å
1236	I	88.2	Confident	87.2	Confident	48 Å²	48	44.5 Å²	44.5	25%	0.246	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	148.8	175.2	-176.5	161.6	0	0	0	109.7	C1227 I1228 I1246 Y1249	C1227-I1236 CarbonylContact C-O 3.54Å; C1227-I1236 VanDerWaalsContact CA-O 3.28Å; C1227-I1236 WeakPolarHBondContact CA-O 3.45Å; C1227-I1236 WeakPolarHBondContact CB-O 3.26Å; I1228-I1236 HydrophobicContact CB-CG2 3.88Å; I1228-I1236 HydrophobicContact CD1-CG2 3.87Å; I1228-I1236 HydrophobicContact CG1-CG2 4.15Å; I1228-I1236 PolarHBondContact N-O 3.29Å; I1228-I1236 PolarHBondContact O-N 3.44Å; I1236-I1246 HydrophobicContact CD1-CG2 4.02Å; I1236-I1246 HydrophobicContact CG1-CG2 4.32Å; I1236-I1246 HydrophobicContact CG2-CD1 4.34Å; I1236-I1246 HydrophobicContact CG2-CG2 4.21Å; I1236-Y1249 HydrophobicContact CB-CD2 4.21Å; I1236-Y1249 HydrophobicContact CG2-CD2 3.46Å; I1236-Y1249 VanDerWaalsContact CG2-CD2 3.46Å; I1236-Y1249 HydrophobicContact CG2-CE2 3.96Å; I1236-Y1249 HydrophobicContact CG2-CG 3.93Å
1237	F	90.9	Very high	86.9	Confident	100 Å²	100	47.3 Å²	47.3	44%	0.439	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	164.5	173.5	72.8	-85.6	0	0	0	112.4	R1225 L1226 C1227 E1234 E1239	R1225-F1237 HydrophobicContact CG-CD2 4.33Å; R1225-F1237 VanDerWaalsContact CZ-CD2 3.46Å; L1226-F1237 CarbonylContact O-C 3.56Å; L1226-F1237 VanDerWaalsContact O-CA 3.22Å; L1226-F1237 WeakPolarHBondContact O-CA 3.48Å; C1227-F1237 HydrophobicContact CB-CB 3.51Å; E1234-F1237 WeakPolarHBondContact OE1-CB 3.26Å; E1234-F1237 WeakPolarHBondContact OE1-CD1 3.46Å; F1237-E1239 HydrophobicContact CD2-CG 4.04Å; F1237-E1239 HydrophobicContact CE2-CG 4.23Å
1238	A	89.3	Confident	86.7	Confident	16 Å²	16	47.6 Å²	47.6	13%	0.132	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.9	173.8	0	0	0	0	0	109.9	R1225 L1226 A1244 C1245 I1246	R1225-A1238 CarbonylContact C-O 3.58Å; R1225-A1238 WeakPolarHBondContact CA-O 3.34Å; L1226-A1238 PolarHBondContact N-O 3.41Å; L1226-A1238 PolarHBondContact O-N 3.47Å; A1238-A1244 HydrophobicContact CB-CB 4.45Å; A1238-C1245 VanDerWaalsContact CB-C 3.46Å; A1238-C1245 WeakPolarHBondContact CB-O 3.46Å; A1238-I1246 HydrophobicContact CB-CG1 3.88Å
1239	E	90.1	Very high	86.5	Confident	82 Å²	82	49.2 Å²	49.2	38%	0.383	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.5	-175.2	-71.6	173.3	162.1	0	0	111.1	Y1223 T1224 R1225 F1237	Y1223-E1239 HydrophobicContact CE2-CB 4.15Å; Y1223-E1239 PolarHBondContact OH-OE1 3.12Å; Y1223-E1239 PolarHBondContact OH-OE2 3.45Å; T1224-E1239 WeakPolarHBondContact O-CA 3.36Å; R1225-E1239 HydrophobicContact CB-CG 3.77Å; R1225-E1239 VanDerWaalsContact CD-OE1 3.3Å; R1225-E1239 WeakPolarHBondContact CD-OE1 3.24Å; R1225-E1239 HydrophobicContact CG-CG 3.71Å; R1225-E1239 IonicContact CZ-OE1 2.71Å; R1225-E1239 IonicContact NE-OE1 2.75Å; R1225-E1239 IonicContact NH1-OE1 3.57Å; R1225-E1239 PolarHBondContact NH1-OE1 3.3Å; F1237-E1239 HydrophobicContact CD2-CG 4.04Å; F1237-E1239 HydrophobicContact CE2-CG 4.23Å
1240	G	85.8	Confident	86.3	Confident	19 Å²	19	50.1 Å²	50.1	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	176.7	178	0	0	0	0	0	113.5	Y1223 T1224 G1243	Y1223-G1240 WeakPolarHBondContact CA-O 3.32Å; T1224-G1240 PolarHBondContact N-O 3.33Å; T1224-G1240 PolarHBondContact O-N 3.23Å; G1240-G1243 CarbonylContact C-O 3.44Å; G1240-G1243 VanDerWaalsContact CA-O 3.27Å; G1240-G1243 WeakPolarHBondContact CA-O 3.46Å
1241	Y	84.4	Confident	86.3	Confident	135 Å²	135	47.4 Å²	47.4	53%	0.529	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	173.4	-72.1	-93.4	0	0	0	109.4	P1220 V1222 Y1223 G1243	P1220-Y1241 CarbonylContact O-C 3.56Å; V1222-Y1241 CarbonylContact O-C 3.59Å; V1222-Y1241 VanDerWaalsContact O-CA 3.31Å; V1222-Y1241 WeakPolarHBondContact O-CA 3.31Å; Y1223-Y1241 HydrophobicContact CD2-CD2 4.24Å; Y1223-Y1241 HydrophobicContact CD2-CE1 4.33Å; Y1223-Y1241 AromaticContact CD2-CE2 3.84Å; Y1223-Y1241 HydrophobicContact CD2-CE2 3.84Å; Y1223-Y1241 AromaticContact CD2-CZ 3.89Å; Y1223-Y1241 HydrophobicContact CG-CE1 4.49Å; Y1241-G1243 PolarHBondContact O-N 2.91Å
1242	G	80	Confident	86.3	Confident	11 Å²	11	51.5 Å²	51.5	11%	0.113	26%	0.256	C	S	.	.	S	Bend	trans	70.7	-5.5	-178.2	0	0	0	0	0	114.7	R1216 L1217 P1220 V1222	R1216-G1242 CarbonylContact C-O 3.52Å; R1216-G1242 WeakPolarHBondContact CA-O 3.17Å; L1217-G1242 PolarHBondContact N-O 3.3Å; P1220-G1242 VanDerWaalsContact O-CA 3.29Å; P1220-G1242 WeakPolarHBondContact O-CA 3.16Å; P1220-G1242 PolarHBondContact O-N 2.95Å; V1222-G1242 PolarHBondContact O-N 3.36Å
1243	G	86.7	Confident	86.4	Confident	12 Å²	12	46.6 Å²	46.6	12%	0.124	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	169.1	-179.5	0	0	0	0	0	113.1	L1215 G1240 Y1241	L1215-G1243 CarbonylContact O-C 3.59Å; L1215-G1243 WeakPolarHBondContact O-CA 3.4Å; G1240-G1243 CarbonylContact C-O 3.44Å; G1240-G1243 VanDerWaalsContact CA-O 3.27Å; G1240-G1243 WeakPolarHBondContact CA-O 3.46Å; Y1241-G1243 PolarHBondContact O-N 2.91Å
1244	A	89.8	Confident	85.7	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.5	178.9	0	0	0	0	0	110.6	L1215 T1224 L1226 A1238	L1215-A1244 PolarHBondContact N-O 2.81Å; L1215-A1244 PolarHBondContact O-N 3.39Å; T1224-A1244 HydrophobicContact CG2-CB 4.34Å; L1226-A1244 HydrophobicContact CB-CB 3.77Å; A1238-A1244 HydrophobicContact CB-CB 4.45Å
1245	C	89.6	Confident	83.9	Confident	18 Å²	18	45.2 Å²	45.2	12%	0.122	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124	-178.3	-159.8	0	0	0	0	113.6	I1063 I1213 A1238	I1063-C1245 HydrophobicContact CD1-CB 3.85Å; I1063-C1245 WeakPolarHBondContact CD1-SG 3.09Å; I1213-C1245 CarbonylContact O-C 3.55Å; I1213-C1245 WeakPolarHBondContact O-CA 3.39Å; I1213-C1245 PolarHBondContact O-SG 2.87Å; I1213-C1245 VanDerWaalsContact O-SG 3.34Å; A1238-C1245 VanDerWaalsContact CB-C 3.46Å; A1238-C1245 WeakPolarHBondContact CB-O 3.46Å
1246	I	91.2	Very high	81.8	Confident	3 Å²	3	49 Å²	49	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.1	163.6	-62.6	172.5	0	0	0	107	T1212 I1213 L1226 I1228 I1236 A1238	T1212-I1246 CarbonylContact C-O 3.51Å; T1212-I1246 WeakPolarHBondContact CA-O 3.31Å; I1213-I1246 HydrophobicContact CB-CB 4.44Å; I1213-I1246 PolarHBondContact N-O 3.13Å; I1213-I1246 PolarHBondContact O-N 3.4Å; L1226-I1246 HydrophobicContact CD2-CD1 4.17Å; L1226-I1246 HydrophobicContact CD2-CG1 4.09Å; L1226-I1246 HydrophobicContact CG-CD1 3.97Å; L1226-I1246 HydrophobicContact CG-CG1 4.33Å; I1228-I1246 HydrophobicContact CD1-CD1 4.07Å; I1228-I1246 HydrophobicContact CD1-CG2 4.33Å; I1228-I1246 HydrophobicContact CG1-CD1 3.84Å; I1236-I1246 HydrophobicContact CD1-CG2 4.02Å; I1236-I1246 HydrophobicContact CG1-CG2 4.32Å; I1236-I1246 HydrophobicContact CG2-CD1 4.34Å; I1236-I1246 HydrophobicContact CG2-CG2 4.21Å; A1238-I1246 HydrophobicContact CB-CG1 3.88Å
1247	Y	87.5	Confident	79.3	Confident	58 Å²	58	52.1 Å²	52.1	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-42.5	-174.3	-67.5	-77.8	0	0	0	113.4	I1063 L1104 I1106 I1113 L1137 I1139 T1212	I1063-Y1247 HydrophobicContact CD1-CD1 4.18Å; I1063-Y1247 HydrophobicContact CD1-CE1 3.56Å; L1104-Y1247 HydrophobicContact CD2-CD1 3.87Å; L1104-Y1247 HydrophobicContact CD2-CD2 4.09Å; L1104-Y1247 HydrophobicContact CD2-CE1 4.32Å; L1104-Y1247 HydrophobicContact CD2-CG 3.74Å; I1106-Y1247 HydrophobicContact CD1-CG 4.39Å; I1113-Y1247 HydrophobicContact CD1-CD2 4.3Å; I1113-Y1247 HydrophobicContact CD1-CE2 4.49Å; L1137-Y1247 WeakPolarHBondContact CD2-O 3.45Å; I1139-Y1247 HydrophobicContact CD1-CD1 3.81Å; I1139-Y1247 HydrophobicContact CD1-CE1 3.93Å; T1212-Y1247 VanDerWaalsContact CB-O 3.31Å; T1212-Y1247 WeakPolarHBondContact CB-O 3.16Å; T1212-Y1247 VanDerWaalsContact CG2-O 3.26Å; T1212-Y1247 WeakPolarHBondContact CG2-O 3.38Å; T1212-Y1247 PolarHBondContact OG1-O 2.97Å
1248	A	87.5	Confident	76.3	Confident	6 Å²	6	56.1 Å²	56.1	5%	0.05	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	137.5	-179.3	0	0	0	0	0	110.9	I1106 L1137 L1210 I1211	I1106-A1248 HydrophobicContact CD1-CB 3.97Å; L1137-A1248 HydrophobicContact CD1-CB 4.33Å; L1210-A1248 HydrophobicContact CD1-CB 4.1Å; I1211-A1248 CarbonylContact O-C 3.57Å; I1211-A1248 VanDerWaalsContact O-CA 3.29Å; I1211-A1248 WeakPolarHBondContact O-CA 3.31Å
1249	Y	87.8	Confident	73.3	Confident	34 Å²	34	63.1 Å²	63.1	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.8	163.5	-173.9	-102.4	0	0	0	109.5	L1210 I1211 I1228 M1235 I1236 I1251 Y1380	L1210-Y1249 CarbonylContact C-O 3.58Å; L1210-Y1249 WeakPolarHBondContact CA-O 3.22Å; I1211-Y1249 WeakPolarHBondContact CG1-O 3.3Å; I1211-Y1249 PolarHBondContact N-O 2.98Å; I1211-Y1249 PolarHBondContact O-N 3.45Å; I1228-Y1249 HydrophobicContact CD1-CD1 3.73Å; I1228-Y1249 HydrophobicContact CD1-CG 3.83Å; I1228-Y1249 HydrophobicContact CG2-CD1 4.34Å; I1228-Y1249 HydrophobicContact CG2-CE1 4.09Å; M1235-Y1249 HydrophobicContact CB-CE2 4.02Å; M1235-Y1249 WeakPolarHBondContact CE-OH 3.4Å; I1236-Y1249 HydrophobicContact CB-CD2 4.21Å; I1236-Y1249 HydrophobicContact CG2-CD2 3.46Å; I1236-Y1249 VanDerWaalsContact CG2-CD2 3.46Å; I1236-Y1249 HydrophobicContact CG2-CE2 3.96Å; I1236-Y1249 HydrophobicContact CG2-CG 3.93Å; Y1249-I1251 HydrophobicContact CD1-CG1 4.02Å; Y1249-I1251 HydrophobicContact CE1-CG1 4.28Å; Y1249-Y1380 HydrophobicContact CE1-CD1 4.42Å; Y1249-Y1380 HydrophobicContact CE1-CE1 4.09Å
1250	I	85.9	Confident	70.4	Confident	47 Å²	47	68 Å²	68	24%	0.241	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.7	176.2	-60.2	174.3	0	0	0	108.5	L1210 L1252	L1210-I1250 HydrophobicContact CD1-CG1 3.84Å; I1250-L1252 HydrophobicContact CG2-CD2 4.38Å
1251	I	85.5	Confident	67.6	Low	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.2	169.4	-57.7	172.2	0	0	0	107.8	I1203 A1205 D1208 S1209 I1211 Y1249 Y1380	I1203-I1251 HydrophobicContact CB-CD1 4.21Å; I1203-I1251 HydrophobicContact CD1-CD1 3.48Å; I1203-I1251 VanDerWaalsContact CD1-CD1 3.48Å; I1203-I1251 HydrophobicContact CD1-CG1 4.46Å; I1203-I1251 HydrophobicContact CG1-CD1 4.45Å; I1203-I1251 HydrophobicContact CG2-CD1 3.72Å; A1205-I1251 HydrophobicContact CB-CB 4.25Å; A1205-I1251 HydrophobicContact CB-CG2 3.59Å; D1208-I1251 CarbonylContact C-O 3.34Å; D1208-I1251 WeakPolarHBondContact CA-O 3.41Å; S1209-I1251 PolarHBondContact N-O 3.05Å; S1209-I1251 PolarHBondContact O-N 3.46Å; I1211-I1251 HydrophobicContact CD1-CD1 3.59Å; I1211-I1251 HydrophobicContact CD1-CG1 3.97Å; I1211-I1251 HydrophobicContact CG1-CD1 3.96Å; I1211-I1251 HydrophobicContact CG1-CG1 4.05Å; I1211-I1251 HydrophobicContact CG2-CD1 3.99Å; Y1249-I1251 HydrophobicContact CD1-CG1 4.02Å; Y1249-I1251 HydrophobicContact CE1-CG1 4.28Å; I1251-Y1380 HydrophobicContact CG2-CD2 3.6Å; I1251-Y1380 HydrophobicContact CG2-CE2 3.8Å; I1251-Y1380 HydrophobicContact CG2-CG 4.14Å
1252	L	82.2	Confident	64.9	Low	92 Å²	92	82.2 Å²	82.2	48%	0.482	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-77.4	150.4	173.7	-57.4	177.9	0	0	0	110.7	D1208 I1250	D1208-L1252 WeakPolarHBondContact OD1-CA 3.49Å; I1250-L1252 HydrophobicContact CG2-CD2 4.38Å
1253	A	78.4	Confident	62.5	Low	27 Å²	27	90.9 Å²	90.9	22%	0.223	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64.6	137.6	178.4	0	0	0	0	0	112.4	D1208 T1255	D1208-A1253 PolarHBondContact OD1-N 3.25Å; A1253-T1255 PolarHBondContact O-N 3.08Å
1254	D	66.1	Low	59.7	Low	49 Å²	49	96.2 Å²	96.2	26%	0.262	47%	0.465	S	S	.	.			trans	-64.2	95	170.7	-86.7	9.6	0	0	0	108.5	R1202 A1205 I1256	R1202-D1254 IonicContact NH2-OD2 3.79Å; R1202-D1254 PolarHBondContact NH2-OD2 2.97Å; A1205-D1254 PolarHBondContact O-N 3.47Å; D1254-I1256 PolarHBondContact O-N 3.32Å
1255	T	49.1	Very low	56.9	Low	117 Å²	117	101.9 Å²	101.9	72%	0.718	50%	0.502	S	S	*	.			trans	-70.8	98.9	176.6	40.8	0	0	0	0	110.2	A1253 I1257	A1253-T1255 PolarHBondContact O-N 3.08Å; T1255-I1257 PolarHBondContact O-N 3.44Å
1256	I	42.3	Very low	54	Low	151 Å²	151	108.4 Å²	108.4	77%	0.774	54%	0.535	S	S	*	.			trans	-66.3	104.5	177	-57.9	176.4	0	0	0	109.2	D1254 E1258	D1254-I1256 PolarHBondContact O-N 3.32Å; I1256-E1258 HydrophobicContact CG2-CG 4.37Å; I1256-E1258 PolarHBondContact O-N 3.02Å; I1256-E1258 VanDerWaalsContact O-N 3.1Å
1257	I	35.8	Very low	51.2	Low	112 Å²	112	114.2 Å²	114.2	57%	0.574	58%	0.577	S	S	*	*			trans	-75	94	176.5	-61.9	175	0	0	0	109	T1255 E1259	T1255-I1257 PolarHBondContact O-N 3.44Å; I1257-E1259 HydrophobicContact CG2-CB 3.68Å; I1257-E1259 HydrophobicContact CG2-CG 4.02Å; I1257-E1259 PolarHBondContact O-N 3.16Å; I1257-E1259 VanDerWaalsContact O-N 3.09Å
1258	E	27.1	Very low	48.4	Very low	185 Å²	185	114.5 Å²	114.5	86%	0.864	60%	0.597	S	S	*	*			trans	-78.4	39.7	167.1	-73.6	-154.7	142	0	0	112.8	I1256	I1256-E1258 HydrophobicContact CG2-CG 4.37Å; I1256-E1258 PolarHBondContact O-N 3.02Å; I1256-E1258 VanDerWaalsContact O-N 3.1Å
1259	E	26.5	Very low	45.6	Very low	163 Å²	163	125.9 Å²	125.9	76%	0.762	64%	0.639	S	S	*	*			trans	-100.5	81.3	177.3	-67.3	-152.2	125.7	0	0	113.2	I1257	I1257-E1259 HydrophobicContact CG2-CB 3.68Å; I1257-E1259 HydrophobicContact CG2-CG 4.02Å; I1257-E1259 PolarHBondContact O-N 3.16Å; I1257-E1259 VanDerWaalsContact O-N 3.09Å
1260	K	29.1	Very low	42.8	Very low	183 Å²	183	130.9 Å²	130.9	80%	0.796	67%	0.667	S	S	*	*	S	Bend	trans	-167.2	52.1	147.8	-106.4	151.1	-173.2	170.8	0	112.5	E1371	K1260-E1371 IonicContact NZ-OE2 3.94Å
1261	K	26.5	Very low	39.8	Very low	202 Å²	202	134.9 Å²	134.9	88%	0.878	69%	0.688	S	S	*	*	S	Bend	trans	-156.4	49.6	169.3	-124	162.8	-165.7	168.1	0	118.8
1262	R	28.5	Very low	36.8	Very low	251 Å²	251	142.1 Å²	142.1	95%	0.947	72%	0.722	S	S	*	*			trans	-149.3	134	150.6	-104.8	150.8	-154.6	-112.9	1.7	110.1
1263	Q	30.1	Very low	34.2	Very low	194 Å²	194	143.2 Å²	143.2	91%	0.907	73%	0.732	S	S	*	*			trans	-83.5	134.8	-178.6	-66.6	157.8	-51	0	0	110.2
1264	T	27.1	Very low	31.6	Very low	123 Å²	123	147.7 Å²	147.7	76%	0.755	75%	0.752	S	S	*	*			trans	-87.8	148.4	153.3	48.1	0	0	0	0	109.5
1265	P	31.1	Very low	29.6	Very low	124 Å²	124	153.4 Å²	153.4	81%	0.805	78%	0.775	S	S	*	*			trans	-108.8	133.3	148.9	32.6	-27.3	0	0	0	110.5
1266	N	29.4	Very low	28.4	Very low	155 Å²	155	153.3 Å²	153.3	83%	0.829	78%	0.775	S	S	*	*			trans	-65.9	145.4	-170.9	-59.5	-39.6	0	0	0	115
1267	S	31.3	Very low	27.6	Very low	126 Å²	126	153.7 Å²	153.7	88%	0.881	78%	0.778	S	S	*	*				-178.7	134.1	123.4	-167.9	0	0	0	0	110.3
1268	G	30	Very low	27	Very low	64 Å²	64	151.7 Å²	151.7	66%	0.66	79%	0.785	S	S	*	*			cis	156	136.6	-9.6	0	0	0	0	0	112.9
1269	R	28.8	Very low	27	Very low	245 Å²	245	149.9 Å²	149.9	93%	0.925	78%	0.78	S	S	*	*			trans	65.3	150	172.3	-81	-175.7	159.8	163.5	-7.2	116.8
1270	L	27.3	Very low	26.8	Very low	138 Å²	138	147.5 Å²	147.5	72%	0.723	77%	0.767	S	S	*	*			cis	-154.5	160.1	-11.3	-162.5	76	0	0	0	110.4
1271	L	24.3	Very low	26.5	Very low	132 Å²	132	144 Å²	144	69%	0.691	76%	0.757	S	S	*	*			trans	-22.5	157.9	154.6	-49.8	169.5	0	0	0	117
1272	E	22.8	Very low	26.5	Very low	151 Å²	151	140.1 Å²	140.1	71%	0.706	75%	0.754	S	S	*	*			cis	-172.4	169.1	-2	-119.6	-178.4	130	0	0	111.6
1273	V	25.7	Very low	26.2	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	74%	0.743	S	S	*	*			trans	64.6	132.9	145.6	164.7	0	0	0	0	118.3
1274	N	24.6	Very low	25.9	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	74%	0.738	S	S	*	*			cis	-158.6	149.3	16.9	-136.2	-16.7	0	0	0	114.2
1275	K	24.5	Very low	25.7	Very low	170 Å²	170	135.2 Å²	135.2	74%	0.739	74%	0.739	S	S	*	*			trans	68	141.1	143.1	-84.3	168.7	-174.7	-178.7	0	126.5
1276	T	24	Very low	25.5	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	74%	0.738	S	S	*	*			trans	80	113.4	147.6	40.1	0	0	0	0	122.6
1277	D	25.7	Very low	25.2	Very low	158 Å²	158	135 Å²	135	85%	0.845	74%	0.74	S	S	*	*			trans	69	115.6	136.5	-54.2	-4.6	0	0	0	122.6
1278	G	22.8	Very low	24.9	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	73%	0.725	S	S	*	*			trans	133.5	111.5	134.4	0	0	0	0	0	119.8
1279	I	26.4	Very low	24.6	Very low	147 Å²	147	135.5 Å²	135.5	75%	0.754	73%	0.734	S	S	*	*			trans	80.3	124.5	143.8	-57.6	172	0	0	0	120.3
1280	K	23.4	Very low	24.4	Very low	113 Å²	113	132.8 Å²	132.8	49%	0.491	73%	0.729	S	S	.	*			trans	16.8	113	159.5	-85.1	150.5	-177.7	156.7	0	123.6	E1080	E1080-K1280 WeakPolarHBondContact OE1-CD 3.2Å; E1080-K1280 VanDerWaalsContact OE1-CG 3.31Å; E1080-K1280 WeakPolarHBondContact OE1-CG 3.33Å; E1080-K1280 PolarHBondContact OE1-N 3.04Å; E1080-K1280 VanDerWaalsContact OE2-CD 3.3Å; E1080-K1280 WeakPolarHBondContact OE2-CD 3.03Å; E1080-K1280 WeakPolarHBondContact OE2-CE 3.45Å; E1080-K1280 IonicContact OE2-NZ 2.74Å; E1080-K1280 PolarHBondContact OE2-NZ 2.87Å
1281	L	22.2	Very low	24.4	Very low	111 Å²	111	131.9 Å²	131.9	58%	0.581	73%	0.729	S	S	*	*				42.8	113	104	-66.8	172.2	0	0	0	121	N1079 L1283	N1079-L1281 HydrophobicContact CB-CD1 4.26Å; L1281-L1283 HydrophobicContact CD2-CD1 4.17Å
1282	S	26.5	Very low	24.4	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	73%	0.725	S	S	*	*				-159.7	137.4	114.3	57.7	0	0	0	0	108.8
1283	L	22.9	Very low	24.5	Very low	135 Å²	135	130.1 Å²	130.1	71%	0.707	73%	0.728	S	S	*	*			cis	81.4	65.2	9.2	-140	170.8	0	0	0	116.3	L1281	L1281-L1283 HydrophobicContact CD2-CD1 4.17Å
1284	K	22.3	Very low	24.6	Very low	187 Å²	187	130.5 Å²	130.5	81%	0.813	73%	0.726	S	S	*	*			trans	-172.2	146.5	148.1	-97.1	150.8	-172.2	172.6	0	106.3
1285	D	23.6	Very low	24.5	Very low	144 Å²	144	133 Å²	133	77%	0.77	73%	0.731	S	S	*	*			cis	-145.6	-171.4	23.5	-102.2	-45	0	0	0	112.9
1286	V	26.9	Very low	24.4	Very low	128 Å²	128	131.2 Å²	131.2	78%	0.776	73%	0.729	S	S	*	*			trans	88	79.7	159.8	-161.1	0	0	0	0	117.4
1287	V	23.7	Very low	24.4	Very low	145 Å²	145	131.7 Å²	131.7	88%	0.879	73%	0.727	S	S	*	*			trans	-95.7	112.8	132.1	173.8	0	0	0	0	108.2
1288	S	24.7	Very low	24.3	Very low	82 Å²	82	130 Å²	130	57%	0.573	72%	0.722	S	S	*	*				164.1	126.4	125	49.5	0	0	0	0	113.6
1289	S	23.3	Very low	24.3	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	73%	0.725	S	S	*	*			trans	-165.1	106.2	146.8	-85.1	0	0	0	0	108.6
1290	K	25.2	Very low	24.2	Very low	188 Å²	188	134.3 Å²	134.3	82%	0.817	73%	0.73	S	S	*	*			trans	-147.2	100.1	174.3	-159.7	171.2	-170.7	172.7	0	109.4
1291	V	26.6	Very low	24.3	Very low	118 Å²	118	137 Å²	137	72%	0.715	75%	0.748	S	S	*	*			trans	-128.4	154	171.6	-179.2	0	0	0	0	107.5	I507	I507-V1291 HydrophobicContact CG2-CG1 4.23Å
1292	T	24.5	Very low	24.4	Very low	100 Å²	100	136.3 Å²	136.3	61%	0.613	75%	0.752	S	S	*	*			trans	-137.6	142.8	-141	37.6	0	0	0	0	114.7
1293	L	25.9	Very low	24.5	Very low	147 Å²	147	137.1 Å²	137.1	77%	0.77	76%	0.755	S	S	*	*			trans	66.2	162.1	151.1	-89.9	58.5	0	0	0	115.9
1294	N	26	Very low	24.8	Very low	122 Å²	122	142 Å²	142	65%	0.652	76%	0.764	S	S	*	*			cis	-155.9	171	10	-143.2	-23.7	0	0	0	112.7
1295	K	23.9	Very low	25.1	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.757	77%	0.769	S	S	*	*			trans	70	147.2	157.9	-78.1	177.6	-179.5	178	0	116.8
1296	L	22.9	Very low	25.3	Very low	132 Å²	132	143 Å²	143	69%	0.691	77%	0.768	S	S	*	*			cis	-150.7	149.5	13	-114.2	150.4	0	0	0	112
1297	N	23.1	Very low	25.4	Very low	126 Å²	126	141.1 Å²	141.1	67%	0.674	77%	0.766	S	S	*	*			trans	51.8	129.1	144.6	-79.3	8	0	0	0	125
1298	T	23.2	Very low	25.7	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	76%	0.763	S	S	*	*			trans	74.4	151.3	133.8	57.9	0	0	0	0	122.3
1299	S	24.2	Very low	26	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	77%	0.768	S	S	*	*			trans	68.9	129	174.2	77	0	0	0	0	114.1
1300	K	22.5	Very low	26.3	Very low	198 Å²	198	143.9 Å²	143.9	86%	0.861	77%	0.765	S	S	*	*			cis	52.2	96.4	43.8	-74.6	-165.5	175.1	-174.1	0	113.5
1301	I	25.9	Very low	26.6	Very low	170 Å²	170	143 Å²	143	87%	0.872	76%	0.761	S	S	*	*			trans	-170.9	134.9	135.1	-100.1	149.9	0	0	0	110.1
1302	S	25.3	Very low	26.8	Very low	95 Å²	95	144 Å²	144	66%	0.664	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-84.4	160.9	176.1	-40.7	0	0	0	0	111.7	R1304	S1302-R1304 PolarHBondContact O-N 3.29Å
1303	P	28.6	Very low	27.1	Very low	137 Å²	137	146.5 Å²	146.5	89%	0.89	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.8	122.6	167.2	-19.2	32.2	0	0	0	110.4
1304	R	27.6	Very low	27.4	Very low	237 Å²	237	148 Å²	148	89%	0.894	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-103.3	122	-172.6	-177.4	-179.7	-172.1	-175.6	6.7	110.9	S1302	S1302-R1304 PolarHBondContact O-N 3.29Å
1305	R	28.8	Very low	27.9	Very low	245 Å²	245	148.5 Å²	148.5	93%	0.925	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-80.9	146.4	155.2	-91	-173.4	171.6	178.8	-1.7	110.4
1306	S	28.1	Very low	28.2	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	77%	0.769	S	S	*	*			trans	-112.8	175.5	-169.5	51.7	0	0	0	0	109.5
1307	A	28.6	Very low	28.7	Very low	88 Å²	88	142.5 Å²	142.5	73%	0.727	78%	0.778	S	S	*	*			cis	-161.7	-176	0.2	0	0	0	0	0	110.2
1308	S	31.8	Very low	29.2	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	78%	0.783	S	S	*	*			trans	116.8	155.6	161.6	74.5	0	0	0	0	115.8
1309	V	30.5	Very low	29.7	Very low	114 Å²	114	140.8 Å²	140.8	69%	0.691	78%	0.781	S	S	*	*				-162.9	129.8	-54.6	120.8	0	0	0	0	110.5
1310	K	28.2	Very low	30.1	Very low	174 Å²	174	140.2 Å²	140.2	76%	0.757	78%	0.777	S	S	*	*			trans	43.9	155.8	142.8	-56.1	173.4	-176.8	168.7	0	121.4
1311	K	31.6	Very low	30.7	Very low	170 Å²	170	136.1 Å²	136.1	74%	0.739	77%	0.773	S	S	*	*			cis	-178.9	159.5	-10.5	-107.7	-178.1	172.7	-167.7	0	110.3
1312	N	31	Very low	31.2	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	77%	0.767	S	S	*	*			trans	143	155.7	131.2	-77.1	-16	0	0	0	112.8
1313	M	32.4	Very low	31.7	Very low	153 Å²	153	134.7 Å²	134.7	75%	0.754	77%	0.773	S	S	*	*			cis	-153.4	134.9	-38.4	-89.4	-171	68.8	0	0	106.5
1314	K	30.4	Very low	31.9	Very low	178 Å²	178	131.5 Å²	131.5	77%	0.774	77%	0.765	S	S	*	*				62.4	130.5	82.4	-117.5	-170.4	-177.9	-169.6	0	115.9
1315	P	37	Very low	32.2	Very low	134 Å²	134	123.8 Å²	123.8	87%	0.87	76%	0.759	S	S	*	*				-134.6	-177.4	85	40.2	-28.8	0	0	0	113.5
1316	G	31.2	Very low	32.7	Very low	52 Å²	52	117.3 Å²	117.3	54%	0.536	75%	0.751	S	S	.	*			cis	173.4	158.5	-9.6	0	0	0	0	0	114.5
1317	S	33.6	Very low	33	Very low	128 Å²	128	117.7 Å²	117.7	90%	0.895	75%	0.75	S	S	*	*			trans	63.5	134	177.6	64.4	0	0	0	0	117.9
1318	S	32.7	Very low	33.3	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	76%	0.758	S	S	*	*			cis	-153.1	-158.6	-9.6	60.3	0	0	0	0	107.4
1319	S	32.7	Very low	33.3	Very low	99 Å²	99	118 Å²	118	69%	0.692	75%	0.751	S	S	*	*			cis	-168.6	154.3	-12.6	23.2	0	0	0	0	106.2
1320	S	32.6	Very low	33.4	Very low	100 Å²	100	119.2 Å²	119.2	70%	0.699	76%	0.764	S	S	*	*			cis	-171.6	159.4	-17.7	48.3	0	0	0	0	109.7
1321	S	36.5	Very low	33.6	Very low	111 Å²	111	114.1 Å²	114.1	78%	0.776	76%	0.761	S	S	*	*			trans	55.7	135.4	152.8	54.7	0	0	0	0	121.6
1322	S	36.1	Very low	33.6	Very low	107 Å²	107	118.7 Å²	118.7	75%	0.748	77%	0.773	S	S	*	*			cis	-166.4	-174.4	-12.4	62.3	0	0	0	0	107.4
1323	T	36.4	Very low	33.5	Very low	129 Å²	129	115.1 Å²	115.1	79%	0.791	77%	0.769	S	S	*	*			cis	-151.1	175.7	1.2	-12.6	0	0	0	0	105.6
1324	G	33	Very low	33.5	Very low	70 Å²	70	113.7 Å²	113.7	72%	0.722	78%	0.775	S	S	*	*			cis	105.3	128.5	6.3	0	0	0	0	0	112.4
1325	G	34	Very low	33.7	Very low	74 Å²	74	110 Å²	110	76%	0.763	77%	0.771	S	S	*	*			cis	-111.5	-120.8	-2.4	0	0	0	0	0	113
1326	S	37.5	Very low	33.5	Very low	109 Å²	109	109.1 Å²	109.1	76%	0.762	77%	0.768	S	S	*	*			cis	-177.9	154.9	-8.2	-107.8	0	0	0	0	108.9
1327	T	35.7	Very low	33.4	Very low	117 Å²	117	112 Å²	112	72%	0.718	78%	0.776	S	S	*	*			cis	-165.5	178.9	-17	11	0	0	0	0	109.8
1328	T	33.5	Very low	33.2	Very low	147 Å²	147	113.3 Å²	113.3	90%	0.902	77%	0.772	S	S	*	*			trans	77.1	168.1	177.4	80	0	0	0	0	115.3
1329	G	32.5	Very low	33	Very low	64 Å²	64	113.3 Å²	113.3	66%	0.66	77%	0.772	S	S	*	*			cis	-148.9	-149.8	5.3	0	0	0	0	0	114.2
1330	S	32.4	Very low	32.9	Very low	138 Å²	138	112.7 Å²	112.7	97%	0.965	77%	0.773	S	S	*	*			trans	-164.3	164.1	-174.1	-72.9	0	0	0	0	113
1331	G	32.2	Very low	32.7	Very low	67 Å²	67	114.6 Å²	114.6	69%	0.691	78%	0.776	S	S	*	*			cis	155.3	164.4	-9	0	0	0	0	0	115.3
1332	R	32	Very low	32.4	Very low	266 Å²	266	116 Å²	116	100%	1.004	77%	0.773	S	S	*	*			trans	70.8	149.7	171.6	-56.2	174.7	171.8	170.9	-4.4	117.8
1333	G	29.2	Very low	31.9	Very low	64 Å²	64	119.9 Å²	119.9	66%	0.66	78%	0.779	S	S	*	*			cis	162.5	143.2	-16	0	0	0	0	0	116
1334	S	33.2	Very low	31.7	Very low	123 Å²	123	124 Å²	124	86%	0.86	78%	0.78	S	S	*	*			trans	63.2	150.9	164.9	34.6	0	0	0	0	120.4
1335	S	33	Very low	31.5	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	79%	0.788	S	S	*	*			cis	-173.9	142.1	-14.8	49.1	0	0	0	0	114.4
1336	S	33.1	Very low	31.3	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	78%	0.782	S	S	*	*			trans	66	160.3	159.8	74.3	0	0	0	0	118.5
1337	T	30.5	Very low	30.8	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.693	79%	0.788	S	S	*	*			cis	-147.4	160.6	12.6	48.5	0	0	0	0	114.3
1338	N	28.7	Very low	30.4	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	79%	0.787	S	S	*	*			trans	71.2	-177.9	148.5	-64.7	3.5	0	0	0	120.6
1339	S	28.9	Very low	30.1	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	79%	0.785	S	S	*	*				-156.7	162	-130	56.1	0	0	0	0	117.1
1340	A	29.3	Very low	29.9	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	79%	0.79	S	S	*	*			trans	98.2	134.1	154	0	0	0	0	0	120.1
1341	N	29.8	Very low	29.6	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	78%	0.776	S	S	*	*			trans	67.4	112.6	154	-63.9	0.2	0	0	0	122.2
1342	I	30.2	Very low	29.2	Very low	141 Å²	141	145.2 Å²	145.2	72%	0.723	78%	0.778	S	S	*	*				50.3	120.9	114.8	-57.9	160.2	0	0	0	115.4
1343	E	25.1	Very low	28.9	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	77%	0.771	S	S	*	*				-150.5	-176.5	58.3	-153.5	147.5	-119.2	0	0	114.9
1344	R	31.4	Very low	28.7	Very low	216 Å²	216	141.7 Å²	141.7	82%	0.815	78%	0.778	S	S	*	*			trans	-107.8	148.7	-177.7	-71.2	178.1	174.6	157.9	-2.3	112.7
1345	T	29.1	Very low	28.1	Very low	145 Å²	145	141 Å²	141	89%	0.89	77%	0.774	S	S	*	*			trans	-123.5	152.5	152.4	46.7	0	0	0	0	110.6
1346	H	29.6	Very low	28.3	Very low	134 Å²	134	141.1 Å²	141.1	62%	0.62	77%	0.772	S	S	*	*			trans	-100.9	162.8	-169	-84.7	-111.8	0	0	0	113	Y1348	H1346-Y1348 HydrophobicContact CB-CD2 4.22Å; H1346-Y1348 AromaticContact ND1-CD2 3.77Å
1347	H	28.4	Very low	28.1	Very low	195 Å²	195	144.2 Å²	144.2	90%	0.903	77%	0.773	S	S	*	*			trans	-111.3	154.4	134	-118.2	-82.1	0	0	0	109.4
1348	Y	26.8	Very low	27.8	Very low	176 Å²	176	142.8 Å²	142.8	69%	0.69	77%	0.768	S	S	*	*			trans	-151.1	127.4	-162.6	-140.7	-71	0	0	0	110.8	H1346	H1346-Y1348 HydrophobicContact CB-CD2 4.22Å; H1346-Y1348 AromaticContact ND1-CD2 3.77Å
1349	E	26.6	Very low	27.7	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	77%	0.769	S	S	*	*			trans	-140.2	110.2	149.2	-72.5	-170	141.1	0	0	104.1
1350	Q	27.9	Very low	27.5	Very low	163 Å²	163	146.2 Å²	146.2	76%	0.762	77%	0.769	S	S	*	*				60.7	129.1	88.1	-63.8	-171.1	12.9	0	0	112.8
1351	S	25.9	Very low	27.4	Very low	98 Å²	98	150.2 Å²	150.2	69%	0.685	78%	0.777	S	S	*	*			cis	-145.3	135.3	22.3	61.5	0	0	0	0	116.4
1352	N	25.4	Very low	27.2	Very low	137 Å²	137	150.4 Å²	150.4	73%	0.733	78%	0.778	S	S	*	*			trans	65	125.5	131.4	-57.2	-4.5	0	0	0	123.7
1353	T	24.8	Very low	27	Very low	138 Å²	138	149.1 Å²	149.1	85%	0.847	78%	0.781	S	S	*	*			trans	67.5	140.4	139.2	52.4	0	0	0	0	120.3
1354	S	25.2	Very low	27.2	Very low	117 Å²	117	149.3 Å²	149.3	82%	0.818	78%	0.783	S	S	*	*			cis	-156.5	173.5	-1.8	54.5	0	0	0	0	112.5
1355	S	21.6	Very low	26.9	Very low	109 Å²	109	149.7 Å²	149.7	76%	0.762	78%	0.784	S	S	*	*			trans	-167.4	157.7	175.8	177.7	0	0	0	0	108.3
1356	P	36.6	Very low	26.7	Very low	103 Å²	103	149.5 Å²	149.5	67%	0.669	78%	0.776	S	S	*	*			cis	-123.3	172.4	-25.6	36.3	-22.8	0	0	0	112.5
1357	H	28.5	Very low	26.5	Very low	180 Å²	180	151.3 Å²	151.3	83%	0.833	79%	0.785	S	S	*	*				-164.7	153.6	126.7	-119.2	-77.6	0	0	0	114.4
1358	S	23.3	Very low	26.5	Very low	84 Å²	84	151.5 Å²	151.5	59%	0.587	79%	0.787	S	S	*	*			trans	-57	142.8	177.7	51.3	0	0	0	0	116.6
1359	H	27.6	Very low	26.6	Very low	182 Å²	182	150.5 Å²	150.5	84%	0.843	79%	0.788	S	S	*	*				-154	155	111.5	-110.2	-75.6	0	0	0	112.6
1360	M	24.7	Very low	26.8	Very low	154 Å²	154	146.6 Å²	146.6	76%	0.759	77%	0.77	S	S	*	*			trans	-70.9	146.2	-163.6	-58.5	155.3	57.8	0	0	115.5
1361	L	28	Very low	27.1	Very low	172 Å²	172	146.4 Å²	146.4	90%	0.901	77%	0.769	S	S	*	*				-162.6	150.2	114.5	-106.2	165	0	0	0	111.7
1362	N	24.3	Very low	27.4	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	78%	0.776	S	S	*	*			trans	-91.8	138.7	-170.7	-70.4	-26.9	0	0	0	113.3
1363	S	25.5	Very low	28	Very low	113 Å²	113	151.5 Å²	151.5	79%	0.79	78%	0.778	S	S	*	*				176.7	158.4	120.8	-77.7	0	0	0	0	111.3
1364	Q	30.8	Very low	28.8	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	76%	0.761	S	S	*	*			trans	62.6	94.2	-175.2	-61.4	176.8	-48.2	0	0	113
1365	R	25.1	Very low	29.7	Very low	224 Å²	224	151.3 Å²	151.3	85%	0.845	75%	0.754	S	S	*	*			cis	86.8	95.4	31.8	-160.9	-176.8	-169.5	177.2	4	114.7
1366	L	25	Very low	30.9	Very low	140 Å²	140	153.3 Å²	153.3	73%	0.733	75%	0.751	S	S	*	*			trans	32	95.9	140.4	-66.6	154.5	0	0	0	118.1
1367	E	25.7	Very low	31.8	Very low	172 Å²	172	153 Å²	153	80%	0.804	74%	0.741	S	S	*	*			trans	-142.8	58.5	166.3	-71.5	-174.9	178.4	0	0	111.8
1368	Q	27.6	Very low	33.6	Very low	199 Å²	199	151.3 Å²	151.3	93%	0.93	73%	0.728	S	S	*	*	S	Bend	trans	-137.5	5.1	166.7	-74.6	-159.2	-17.9	0	0	115.5
1369	E	29.4	Very low	36.3	Very low	155 Å²	155	151 Å²	151	72%	0.724	71%	0.714	S	S	*	*	S	Bend	trans	-115.4	1.5	175.7	-65.9	-172.5	131.3	0	0	113.8
1370	Q	29.9	Very low	39.2	Very low	103 Å²	103	143.1 Å²	143.1	48%	0.481	68%	0.677	S	S	.	*			trans	-90.7	-10	-174.5	-70.3	-174.3	-99.6	0	0	115.7	Q1372 E1373	Q1370-Q1372 PolarHBondContact O-N 3.39Å; Q1370-E1373 PolarHBondContact O-N 3.05Å
1371	E	33.6	Very low	42.2	Very low	158 Å²	158	137.5 Å²	137.5	74%	0.738	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	0.4	-176.5	-75.5	-157.6	169.7	0	0	115.3	K1260	K1260-E1371 IonicContact NZ-OE2 3.94Å
1372	Q	33.7	Very low	45.3	Very low	177 Å²	177	129.3 Å²	129.3	83%	0.827	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-15.8	177.7	-70.2	-167.8	-1.8	0	0	116.2	Q1370	Q1370-Q1372 PolarHBondContact O-N 3.39Å
1373	E	36.6	Very low	48.5	Very low	166 Å²	166	122.5 Å²	122.5	78%	0.776	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-28.5	173.9	-68.2	-163.2	133.7	0	0	112.4	Q1370 E1375	Q1370-E1373 PolarHBondContact O-N 3.05Å; E1373-E1375 VanDerWaalsContact C-N 3.32Å; E1373-E1375 PolarHBondContact O-N 3.46Å
1374	E	41.4	Very low	51.6	Low	104 Å²	104	117.1 Å²	117.1	49%	0.486	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.3	-178.5	-66.7	-162.1	173.7	0	0	115.2
1375	E	44.3	Very low	54.4	Low	146 Å²	146	110.9 Å²	110.9	68%	0.682	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.2	179.7	-74	-157.5	148	0	0	113.5	E1373	E1373-E1375 VanDerWaalsContact C-N 3.32Å; E1373-E1375 PolarHBondContact O-N 3.46Å
1376	E	48.4	Very low	57.4	Low	151 Å²	151	100.4 Å²	100.4	71%	0.706	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-24.7	177.3	-68.2	-148.2	142.4	0	0	113.1	R1378	E1376-R1378 PolarHBondContact O-N 2.86Å
1377	E	55.4	Low	60	Low	97 Å²	97	95.5 Å²	95.5	45%	0.453	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.2	-173.9	-72	-112.5	113.9	0	0	114.2	M1230 G1231	M1230-E1377 CarbonylContact C-O 3.54Å; M1230-E1377 VanDerWaalsContact C-O 3.3Å; G1231-E1377 WeakPolarHBondContact CA-O 3.41Å; G1231-E1377 PolarHBondContact N-O 3.32Å
1378	R	65.8	Low	61.8	Low	145 Å²	145	88.9 Å²	88.9	55%	0.547	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.7	-172.7	-58.6	-171.9	-171.5	-167	2.5	114.9	E1376	E1376-R1378 PolarHBondContact O-N 2.86Å
1379	Y	80	Confident	63.7	Low	78 Å²	78	88.3 Å²	88.3	31%	0.306	41%	0.407	S	S	.	.			trans	-85.1	135.2	-173.8	-58.9	-48.8	0	0	0	113.7	R1202 M1230 G1231	R1202-Y1379 VanDerWaalsContact NH1-CE1 3.25Å; M1230-Y1379 WeakPolarHBondContact CA-O 3.31Å; G1231-Y1379 PolarHBondContact N-O 2.98Å
1380	Y	88.4	Confident	65.1	Low	15 Å²	15	84.8 Å²	84.8	6%	0.059	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.9	175.3	-68	-74.1	0	0	0	113.1	I1203 I1228 K1229 M1230 Y1249 I1251	I1203-Y1380 PolarHBondContact N-O 3.46Å; I1228-Y1380 HydrophobicContact CG2-CD1 4.34Å; K1229-Y1380 CarbonylContact O-C 3.24Å; K1229-Y1380 WeakPolarHBondContact O-CA 3.14Å; M1230-Y1380 HydrophobicContact CB-CD1 4.12Å; M1230-Y1380 HydrophobicContact CB-CE1 4Å; M1230-Y1380 HydrophobicContact CG-CD1 4.18Å; M1230-Y1380 HydrophobicContact CG-CE1 3.89Å; M1230-Y1380 HydrophobicContact SD-CE1 3.94Å; Y1249-Y1380 HydrophobicContact CE1-CD1 4.42Å; Y1249-Y1380 HydrophobicContact CE1-CE1 4.09Å; I1251-Y1380 HydrophobicContact CG2-CD2 3.6Å; I1251-Y1380 HydrophobicContact CG2-CE2 3.8Å; I1251-Y1380 HydrophobicContact CG2-CG 4.14Å
1381	W	88.1	Confident	66.6	Low	36 Å²	36	82.1 Å²	82.1	14%	0.136	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.3	180	-61.5	98	0	0	0	110.7	R1200 R1202 I1228 K1229 M1486	R1200-W1381 HydrophobicContact CG-CD2 4.25Å; R1200-W1381 HydrophobicContact CG-CE3 3.44Å; R1200-W1381 VanDerWaalsContact CG-CE3 3.44Å; R1200-W1381 HydrophobicContact CG-CZ3 3.82Å; R1202-W1381 HydrophobicContact CB-CD2 4.41Å; R1202-W1381 HydrophobicContact CB-CE3 3.79Å; R1202-W1381 HydrophobicContact CB-CH2 4.24Å; R1202-W1381 HydrophobicContact CB-CZ3 3.71Å; I1228-W1381 CarbonylContact C-O 3.56Å; I1228-W1381 VanDerWaalsContact CA-O 3.27Å; I1228-W1381 WeakPolarHBondContact CA-O 3.22Å; K1229-W1381 HydrophobicContact CB-CB 4.47Å; K1229-W1381 PolarHBondContact N-O 2.92Å; K1229-W1381 PolarHBondContact O-N 3.31Å; W1381-M1486 HydrophobicContact CH2-CB 4.22Å; W1381-M1486 HydrophobicContact CH2-CE 4.26Å; W1381-M1486 HydrophobicContact CH2-CG 3.93Å; W1381-M1486 HydrophobicContact CZ3-CB 3.92Å; W1381-M1486 HydrophobicContact CZ3-CG 3.72Å
1382	I	92.3	Very high	67.3	Low	0 Å²	0	77 Å²	77	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	162.6	-48.9	166.3	0	0	0	107.3	F1199 R1200 R1201 I1203 I1213 L1226 C1227 M1471 I1473	F1199-I1382 HydrophobicContact CE2-CG2 4.08Å; R1200-I1382 WeakPolarHBondContact CA-O 3Å; R1201-I1382 PolarHBondContact N-O 3.08Å; R1201-I1382 PolarHBondContact O-N 3.04Å; I1203-I1382 HydrophobicContact CD1-CD1 3.83Å; I1203-I1382 HydrophobicContact CD1-CG1 3.48Å; I1203-I1382 VanDerWaalsContact CD1-CG1 3.48Å; I1203-I1382 HydrophobicContact CG1-CD1 3.85Å; I1203-I1382 HydrophobicContact CG1-CG1 3.62Å; I1213-I1382 HydrophobicContact CD1-CD1 3.85Å; I1213-I1382 HydrophobicContact CD1-CG1 3.99Å; I1213-I1382 HydrophobicContact CD1-CG2 4.27Å; L1226-I1382 HydrophobicContact CD1-CG2 3.66Å; C1227-I1382 WeakPolarHBondContact O-CA 3.37Å; I1382-M1471 HydrophobicContact CD1-CE 4.16Å; I1382-M1471 HydrophobicContact CD1-SD 4.42Å; I1382-M1471 HydrophobicContact CG2-SD 4.1Å; I1382-I1473 HydrophobicContact CD1-CD1 3.33Å
1383	E	91	Very high	68.5	Low	1 Å²	1	69.5 Å²	69.5	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.9	171.7	-65.2	-170.2	127.8	0	0	110.3	L1197 F1199 R1200 C1227 K1229 Y1385	L1197-E1383 HydrophobicContact CD1-CB 3.81Å; L1197-E1383 HydrophobicContact CD1-CG 4.07Å; F1199-E1383 WeakPolarHBondContact O-CA 3.47Å; R1200-E1383 HydrophobicContact CB-CG 4.35Å; R1200-E1383 HydrophobicContact CG-CG 4.21Å; R1200-E1383 IonicContact CZ-OE1 2.68Å; R1200-E1383 IonicContact NE-OE1 3.53Å; R1200-E1383 PolarHBondContact NE-OE1 3.24Å; R1200-E1383 IonicContact NH2-OE1 2.75Å; R1200-E1383 PolarHBondContact NH2-OE1 3.02Å; C1227-E1383 PolarHBondContact N-O 3.46Å; C1227-E1383 PolarHBondContact O-N 3.42Å; K1229-E1383 VanDerWaalsContact CD-OE2 3.23Å; K1229-E1383 WeakPolarHBondContact CD-OE2 3.34Å; K1229-E1383 WeakPolarHBondContact CE-OE2 3.26Å; K1229-E1383 IonicContact NZ-OE2 3.03Å; K1229-E1383 PolarHBondContact NZ-OE2 3.26Å; E1383-Y1385 HydrophobicContact CB-CD2 4.34Å; E1383-Y1385 HydrophobicContact CB-CE2 3.74Å; E1383-Y1385 PolarHBondContact OE2-OH 3.31Å; E1383-Y1385 VanDerWaalsContact OE2-OH 3.05Å
1384	A	91.7	Very high	69.7	Low	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.5	168.3	0	0	0	0	0	109.3	L1197 L1198 F1199 L1215 R1225	L1197-A1384 CarbonylContact C-O 3.48Å; L1197-A1384 WeakPolarHBondContact CD1-O 3.43Å; L1198-A1384 HydrophobicContact CB-CB 4.13Å; L1198-A1384 WeakPolarHBondContact CB-O 3.19Å; L1198-A1384 HydrophobicContact CD2-CB 4.27Å; L1198-A1384 PolarHBondContact N-O 3.16Å; F1199-A1384 HydrophobicContact CD1-CB 3.9Å; F1199-A1384 HydrophobicContact CD2-CB 4.13Å; F1199-A1384 HydrophobicContact CE1-CB 3.5Å; F1199-A1384 VanDerWaalsContact CE1-CB 3.5Å; F1199-A1384 HydrophobicContact CE2-CB 3.75Å; F1199-A1384 HydrophobicContact CG-CB 4.21Å; F1199-A1384 HydrophobicContact CZ-CB 3.42Å; F1199-A1384 VanDerWaalsContact CZ-CB 3.42Å; F1199-A1384 PolarHBondContact O-N 3.02Å; L1215-A1384 HydrophobicContact CD2-CB 3.64Å; R1225-A1384 CarbonylContact O-C 3.54Å; R1225-A1384 WeakPolarHBondContact O-CA 3.38Å
1385	Y	89.5	Confident	70.8	Confident	61 Å²	61	66.2 Å²	66.2	24%	0.239	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.1	176.2	-63.8	-93	0	0	0	110.4	N1196 L1197 T1224 R1225 K1229 E1383	N1196-Y1385 CarbonylContact O-C 3.58Å; N1196-Y1385 WeakPolarHBondContact O-CA 3.39Å; L1197-Y1385 HydrophobicContact CB-CD1 3.98Å; L1197-Y1385 HydrophobicContact CB-CE1 3.88Å; L1197-Y1385 HydrophobicContact CD1-CD1 4.03Å; L1197-Y1385 HydrophobicContact CD1-CD2 4.3Å; L1197-Y1385 HydrophobicContact CD1-CE1 3.66Å; L1197-Y1385 HydrophobicContact CD1-CE2 3.96Å; L1197-Y1385 HydrophobicContact CD1-CG 4.34Å; L1197-Y1385 HydrophobicContact CG-CE1 4.38Å; T1224-Y1385 CarbonylContact C-O 3.58Å; T1224-Y1385 VanDerWaalsContact CA-O 3.23Å; T1224-Y1385 WeakPolarHBondContact CA-O 3.19Å; T1224-Y1385 WeakPolarHBondContact CB-O 3.28Å; T1224-Y1385 PolarHBondContact OG1-O 3.42Å; R1225-Y1385 PolarHBondContact N-O 3.44Å; R1225-Y1385 PolarHBondContact O-N 3.13Å; K1229-Y1385 PolarHBondContact NZ-OH 3.08Å; K1229-Y1385 VanDerWaalsContact NZ-OH 3.15Å; E1383-Y1385 HydrophobicContact CB-CD2 4.34Å; E1383-Y1385 HydrophobicContact CB-CE2 3.74Å; E1383-Y1385 PolarHBondContact OE2-OH 3.31Å; E1383-Y1385 VanDerWaalsContact OE2-OH 3.05Å
1386	V	86.6	Confident	72	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.4	-171.8	179.4	0	0	0	0	110.3	Y1190 N1196 L1198 L1217 V1222 G1388	Y1190-V1386 HydrophobicContact CE2-CG1 3.95Å; Y1190-V1386 HydrophobicContact CE2-CG2 4.23Å; Y1190-V1386 VanDerWaalsContact OH-CG1 3.29Å; Y1190-V1386 WeakPolarHBondContact OH-CG1 3.33Å; N1196-V1386 WeakPolarHBondContact CB-O 3.43Å; N1196-V1386 PolarHBondContact ND2-O 2.97Å; N1196-V1386 PolarHBondContact O-N 3.34Å; L1198-V1386 HydrophobicContact CB-CG2 3.95Å; L1198-V1386 HydrophobicContact CD2-CG2 3.95Å; L1198-V1386 HydrophobicContact CG-CG2 4.37Å; L1217-V1386 HydrophobicContact CD1-CG2 4.41Å; V1222-V1386 HydrophobicContact CG1-CG1 3.29Å; V1386-G1388 PolarHBondContact O-N 3.1Å
1387	D	79.7	Confident	72.9	Confident	38 Å²	38	55.9 Å²	55.9	20%	0.203	28%	0.278	C	S	.	.			trans	-72.3	100.1	176.8	179.8	24.2	0	0	0	112.5	Y1223 K1389 N1390	Y1223-D1387 HydrophobicContact CD1-CB 4.37Å; Y1223-D1387 PolarHBondContact O-N 2.85Å; D1387-K1389 PolarHBondContact O-N 3.36Å; D1387-K1389 WeakPolarHBondContact OD1-CB 3.21Å; D1387-K1389 PolarHBondContact OD1-N 3.06Å; D1387-K1389 VanDerWaalsContact OD1-N 3.1Å; D1387-N1390 PolarHBondContact O-N 3.11Å; D1387-N1390 PolarHBondContact OD2-ND2 3.1Å
1388	G	65.3	Low	73.5	Confident	33 Å²	33	56.9 Å²	56.9	34%	0.34	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.9	-8.4	176.4	0	0	0	0	0	115.9	N1196 V1386 W1391	N1196-G1388 PolarHBondContact OD1-N 3.03Å; V1386-G1388 PolarHBondContact O-N 3.1Å; G1388-W1391 WeakPolarHBondContact O-CB 3.31Å
1389	K	67	Low	73.7	Confident	187 Å²	187	54 Å²	54	81%	0.813	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-75.2	-30.2	170.8	-64	178	179.8	177.9	0	113.1	D1387 W1391	D1387-K1389 PolarHBondContact O-N 3.36Å; D1387-K1389 WeakPolarHBondContact OD1-CB 3.21Å; D1387-K1389 PolarHBondContact OD1-N 3.06Å; D1387-K1389 VanDerWaalsContact OD1-N 3.1Å; K1389-W1391 VanDerWaalsContact C-N 3.27Å; K1389-W1391 PolarHBondContact O-N 2.9Å
1390	N	58.6	Low	73.6	Confident	81 Å²	81	52.2 Å²	52.2	43%	0.433	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-97.2	37	-177.7	-75.3	-67.7	0	0	0	111.2	V1222 D1387 P1392	V1222-N1390 WeakPolarHBondContact CG2-O 3.46Å; D1387-N1390 PolarHBondContact O-N 3.11Å; D1387-N1390 PolarHBondContact OD2-ND2 3.1Å; N1390-P1392 WeakPolarHBondContact O-CD 3.5Å
1391	W	60.7	Low	72.8	Confident	46 Å²	46	51.7 Å²	51.7	17%	0.174	27%	0.271	C	S	.	.			trans	-89.2	97.8	-170.9	-174	-99.4	0	0	0	112.2	Y1190 P1192 G1388 K1389 L1393 W1398 L1401	Y1190-W1391 HydrophobicContact CD1-CE3 4.47Å; Y1190-W1391 AromaticContact CD1-CH2 3.37Å; Y1190-W1391 HydrophobicContact CD1-CH2 3.37Å; Y1190-W1391 HydrophobicContact CD1-CZ2 4.18Å; Y1190-W1391 AromaticContact CD1-CZ3 3.59Å; Y1190-W1391 HydrophobicContact CD1-CZ3 3.59Å; Y1190-W1391 HydrophobicContact CD2-CH2 4.48Å; Y1190-W1391 HydrophobicContact CD2-CZ3 4.3Å; Y1190-W1391 HydrophobicContact CE1-CD2 4.31Å; Y1190-W1391 AromaticContact CE1-CE3 3.59Å; Y1190-W1391 HydrophobicContact CE1-CE3 3.59Å; Y1190-W1391 AromaticContact CE1-CH2 3.32Å; Y1190-W1391 HydrophobicContact CE1-CH2 3.32Å; Y1190-W1391 HydrophobicContact CE1-CZ2 4.15Å; Y1190-W1391 AromaticContact CE1-CZ3 3.03Å; Y1190-W1391 HydrophobicContact CE1-CZ3 3.03Å; Y1190-W1391 HydrophobicContact CE2-CH2 4.41Å; Y1190-W1391 AromaticContact CE2-CZ3 3.81Å; Y1190-W1391 HydrophobicContact CE2-CZ3 3.81Å; Y1190-W1391 AromaticContact CG-CH2 3.97Å; Y1190-W1391 HydrophobicContact CG-CH2 3.97Å; Y1190-W1391 HydrophobicContact CG-CZ3 4.18Å; Y1190-W1391 AromaticContact CZ-CE3 3.68Å; Y1190-W1391 AromaticContact CZ-CH2 3.85Å; Y1190-W1391 AromaticContact CZ-CZ3 3.12Å; Y1190-W1391 WeakPolarHBondContact O-CH2 3.42Å; Y1190-W1391 VanDerWaalsContact OH-CZ3 3.28Å; Y1190-W1391 WeakPolarHBondContact OH-CZ3 3.13Å; P1192-W1391 HydrophobicContact CG-CE3 4.01Å; P1192-W1391 HydrophobicContact CG-CH2 3.71Å; P1192-W1391 HydrophobicContact CG-CZ3 3.3Å; G1388-W1391 WeakPolarHBondContact O-CB 3.31Å; K1389-W1391 VanDerWaalsContact C-N 3.27Å; K1389-W1391 PolarHBondContact O-N 2.9Å; W1391-L1393 HydrophobicContact CH2-CD1 4.42Å; W1391-L1393 HydrophobicContact CZ2-CD1 3.39Å; W1391-L1393 HydrophobicContact CZ2-CG 3.91Å; W1391-L1393 PolarHBondContact O-N 3.28Å; W1391-W1398 AromaticContact CD1-CE2 3.8Å; W1391-W1398 AromaticContact CD1-CZ2 3.47Å; W1391-W1398 VanDerWaalsContact CD1-CZ2 3.47Å; W1391-W1398 AromaticContact CD1-NE1 3.78Å; W1391-W1398 AromaticContact NE1-CE2 3.39Å; W1391-W1398 AromaticContact NE1-CH2 3.88Å; W1391-W1398 AromaticContact NE1-CZ2 3.15Å; W1391-W1398 AromaticContact NE1-NE1 3.65Å; W1391-L1401 HydrophobicContact CZ2-CD1 4.02Å
1392	P	49.3	Very low	71.9	Confident	52 Å²	52	54.1 Å²	54.1	34%	0.338	28%	0.284	S	S	.	.			trans	-110.1	68.2	-165.9	37.3	-19.2	0	0	0	108.9	V1219 V1222 N1390	V1219-P1392 HydrophobicContact CB-CG 4.49Å; V1219-P1392 HydrophobicContact CG1-CG 3.48Å; V1219-P1392 VanDerWaalsContact CG1-CG 3.48Å; V1219-P1392 HydrophobicContact CG2-CG 4.35Å; V1222-P1392 HydrophobicContact CG2-CG 4.32Å; N1390-P1392 WeakPolarHBondContact O-CD 3.5Å
1393	L	58.4	Low	71.2	Confident	19 Å²	19	59.6 Å²	59.6	10%	0.099	31%	0.31	C	S	.	.			trans	-97.3	124.6	171.8	-66.3	-164.6	0	0	0	110	Y1190 W1391 N1397 W1398 L1401 A1467	Y1190-L1393 HydrophobicContact CD1-CD2 4.41Å; W1391-L1393 HydrophobicContact CH2-CD1 4.42Å; W1391-L1393 HydrophobicContact CZ2-CD1 3.39Å; W1391-L1393 HydrophobicContact CZ2-CG 3.91Å; W1391-L1393 PolarHBondContact O-N 3.28Å; L1393-N1397 HydrophobicContact CB-CB 4.08Å; L1393-N1397 HydrophobicContact CD1-CB 4.17Å; L1393-N1397 HydrophobicContact CD2-CB 4Å; L1393-N1397 HydrophobicContact CG-CB 4.31Å; L1393-W1398 HydrophobicContact CB-CG 4.32Å; L1393-L1401 HydrophobicContact CD1-CD1 3.4Å; L1393-L1401 HydrophobicContact CD1-CG 4.4Å; L1393-A1467 HydrophobicContact CD2-CB 3.46Å; L1393-A1467 VanDerWaalsContact CD2-CB 3.46Å
1394	S	60.6	Low	70.2	Confident	46 Å²	46	61.6 Å²	61.6	32%	0.322	32%	0.319	S	S	.	.			trans	-53.6	154.9	159.7	54.2	0	0	0	0	110.5	S1396 N1397 W1398	S1394-S1396 PolarHBondContact O-N 3.09Å; S1394-S1396 VanDerWaalsContact O-N 3.12Å; S1394-S1396 PolarHBondContact OG-OG 2.81Å; S1394-N1397 PolarHBondContact O-N 3.25Å; S1394-N1397 VanDerWaalsContact OG-CG 3.27Å; S1394-N1397 PolarHBondContact OG-OD1 3.43Å; S1394-N1397 VanDerWaalsContact OG-OD1 3.12Å; S1394-W1398 PolarHBondContact O-N 3.43Å; S1394-W1398 VanDerWaalsContact O-N 3.15Å
1395	I	66.2	Low	69	Low	155 Å²	155	64.3 Å²	64.3	80%	0.795	33%	0.329	S	S	*	.	H	α-helix	trans	-56.8	-31.2	179.7	-63.1	165.1	0	0	0	111.4	N1397 S1399	I1395-N1397 PolarHBondContact O-N 3.04Å; I1395-S1399 PolarHBondContact O-N 3.14Å
1396	S	68.2	Low	67.9	Low	70 Å²	70	64.5 Å²	64.5	49%	0.49	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-41.7	172.9	57.2	0	0	0	0	113.2	S1394 S1399 F1400	S1394-S1396 PolarHBondContact O-N 3.09Å; S1394-S1396 VanDerWaalsContact O-N 3.12Å; S1394-S1396 PolarHBondContact OG-OG 2.81Å; S1396-S1399 PolarHBondContact O-N 3.38Å; S1396-F1400 WeakPolarHBondContact O-CB 3.46Å; S1396-F1400 PolarHBondContact O-N 2.84Å
1397	N	68	Low	67.1	Low	10 Å²	10	67.9 Å²	67.9	5%	0.053	36%	0.357	C	S	.	.	H	α-helix	trans	-79.7	-31.6	-174.4	-64.3	19.4	0	0	0	110.6	L1393 S1394 I1395 L1401 Q1466	L1393-N1397 HydrophobicContact CB-CB 4.08Å; L1393-N1397 HydrophobicContact CD1-CB 4.17Å; L1393-N1397 HydrophobicContact CD2-CB 4Å; L1393-N1397 HydrophobicContact CG-CB 4.31Å; S1394-N1397 PolarHBondContact O-N 3.25Å; S1394-N1397 VanDerWaalsContact OG-CG 3.27Å; S1394-N1397 PolarHBondContact OG-OD1 3.43Å; S1394-N1397 VanDerWaalsContact OG-OD1 3.12Å; I1395-N1397 PolarHBondContact O-N 3.04Å; N1397-L1401 WeakPolarHBondContact O-CB 3.44Å; N1397-L1401 WeakPolarHBondContact O-CG 3.3Å; N1397-L1401 PolarHBondContact O-N 2.65Å; N1397-Q1466 VanDerWaalsContact CG-OE1 3.27Å; N1397-Q1466 PolarHBondContact OD1-OE1 2.99Å
1398	W	67.5	Low	66.4	Low	118 Å²	118	69.5 Å²	69.5	45%	0.447	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-50.7	166	-92.8	111.7	0	0	0	112.2	W1391 L1393 S1394 F1400 L1401 E1402	W1391-W1398 AromaticContact CD1-CE2 3.8Å; W1391-W1398 AromaticContact CD1-CZ2 3.47Å; W1391-W1398 VanDerWaalsContact CD1-CZ2 3.47Å; W1391-W1398 AromaticContact CD1-NE1 3.78Å; W1391-W1398 AromaticContact NE1-CE2 3.39Å; W1391-W1398 AromaticContact NE1-CH2 3.88Å; W1391-W1398 AromaticContact NE1-CZ2 3.15Å; W1391-W1398 AromaticContact NE1-NE1 3.65Å; L1393-W1398 HydrophobicContact CB-CG 4.32Å; S1394-W1398 PolarHBondContact O-N 3.43Å; S1394-W1398 VanDerWaalsContact O-N 3.15Å; W1398-F1400 VanDerWaalsContact C-N 3.29Å; W1398-F1400 PolarHBondContact O-N 3.06Å; W1398-L1401 PolarHBondContact O-N 3.1Å; W1398-E1402 PolarHBondContact O-N 3.2Å
1399	S	70.2	Confident	66.2	Low	83 Å²	83	72.3 Å²	72.3	58%	0.58	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-39.4	179	-164	0	0	0	0	112	I1395 S1396 E1403	I1395-S1399 PolarHBondContact O-N 3.14Å; S1396-S1399 PolarHBondContact O-N 3.38Å; S1399-E1403 WeakPolarHBondContact O-CB 3.16Å; S1399-E1403 PolarHBondContact O-N 3.49Å
1400	F	78.8	Confident	65.9	Low	42 Å²	42	68.9 Å²	68.9	18%	0.184	36%	0.355	C	S	.	.	H	α-helix	trans	-67.6	-41.9	176.4	172.8	-93.9	0	0	0	113.2	Y1189 S1396 W1398 E1402 E1403 Q1404 Q1466	Y1189-F1400 AromaticContact CD1-CE1 3.7Å; Y1189-F1400 HydrophobicContact CD1-CE1 3.7Å; Y1189-F1400 HydrophobicContact CD1-CZ 4.32Å; Y1189-F1400 AromaticContact CE1-CE1 3.49Å; Y1189-F1400 HydrophobicContact CE1-CE1 3.49Å; Y1189-F1400 VanDerWaalsContact CE1-CE1 3.49Å; Y1189-F1400 AromaticContact CE1-CZ 3.69Å; Y1189-F1400 HydrophobicContact CE1-CZ 3.69Å; Y1189-F1400 HydrophobicContact CE2-CE1 4.41Å; Y1189-F1400 HydrophobicContact CE2-CZ 4.23Å; Y1189-F1400 HydrophobicContact CG-CE1 4.25Å; Y1189-F1400 AromaticContact CZ-CE1 3.88Å; Y1189-F1400 AromaticContact CZ-CZ 3.63Å; S1396-F1400 WeakPolarHBondContact O-CB 3.46Å; S1396-F1400 PolarHBondContact O-N 2.84Å; W1398-F1400 VanDerWaalsContact C-N 3.29Å; W1398-F1400 PolarHBondContact O-N 3.06Å; F1400-E1402 VanDerWaalsContact C-N 3.33Å; F1400-E1403 PolarHBondContact O-N 2.72Å; F1400-Q1404 HydrophobicContact CD1-CG 4.45Å; F1400-Q1404 HydrophobicContact CE1-CG 3.78Å; F1400-Q1404 HydrophobicContact CE2-CG 4.48Å; F1400-Q1404 HydrophobicContact CZ-CG 3.8Å; F1400-Q1404 WeakPolarHBondContact O-CB 3.36Å; F1400-Q1404 PolarHBondContact O-N 3.42Å; F1400-Q1466 HydrophobicContact CD1-CB 3.92Å; F1400-Q1466 VanDerWaalsContact CD1-CD 3.4Å; F1400-Q1466 HydrophobicContact CD1-CG 3.53Å; F1400-Q1466 HydrophobicContact CD2-CG 4.11Å; F1400-Q1466 HydrophobicContact CE1-CB 3.82Å; F1400-Q1466 HydrophobicContact CE1-CG 3.64Å; F1400-Q1466 HydrophobicContact CE2-CG 4.19Å; F1400-Q1466 HydrophobicContact CG-CG 3.78Å; F1400-Q1466 HydrophobicContact CZ-CB 4.43Å; F1400-Q1466 HydrophobicContact CZ-CG 3.97Å
1401	L	71.8	Confident	65.8	Low	3 Å²	3	71.2 Å²	71.2	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-66.2	-36.4	177.4	-76.2	-177.8	0	0	0	112.1	Y1190 E1191 W1391 L1393 N1397 W1398 Q1404 R1405	Y1190-L1401 VanDerWaalsContact O-CD1 3.23Å; Y1190-L1401 WeakPolarHBondContact O-CD1 3.46Å; E1191-L1401 HydrophobicContact CB-CD2 4.48Å; W1391-L1401 HydrophobicContact CZ2-CD1 4.02Å; L1393-L1401 HydrophobicContact CD1-CD1 3.4Å; L1393-L1401 HydrophobicContact CD1-CG 4.4Å; N1397-L1401 WeakPolarHBondContact O-CB 3.44Å; N1397-L1401 WeakPolarHBondContact O-CG 3.3Å; N1397-L1401 PolarHBondContact O-N 2.65Å; W1398-L1401 PolarHBondContact O-N 3.1Å; L1401-Q1404 VanDerWaalsContact O-CB 3.28Å; L1401-Q1404 WeakPolarHBondContact O-CB 3.35Å; L1401-Q1404 PolarHBondContact O-N 2.86Å; L1401-R1405 WeakPolarHBondContact O-CG 3.49Å; L1401-R1405 PolarHBondContact O-N 3.27Å
1402	E	68.8	Low	65.3	Low	88 Å²	88	71.1 Å²	71.1	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-73.2	-34.2	177	-145.8	58.5	-146.6	0	0	111.6	W1398 F1400 R1405 C1406	W1398-E1402 PolarHBondContact O-N 3.2Å; F1400-E1402 VanDerWaalsContact C-N 3.33Å; E1402-R1405 WeakPolarHBondContact O-CB 3.35Å; E1402-R1405 PolarHBondContact O-N 3.45Å; E1402-R1405 VanDerWaalsContact OE2-CD 3.3Å; E1402-R1405 WeakPolarHBondContact OE2-CD 3.46Å; E1402-R1405 IonicContact OE2-CZ 3.72Å; E1402-R1405 IonicContact OE2-NE 2.77Å; E1402-R1405 IonicContact OE2-NH1 3.35Å; E1402-R1405 PolarHBondContact OE2-NH1 3.23Å; E1402-C1406 PolarHBondContact O-N 3.17Å; E1402-C1406 PolarHBondContact O-SG 2.76Å
1403	E	76	Confident	65.2	Low	114 Å²	114	73.2 Å²	73.2	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-43.1	167.2	-163.8	-164.9	148	0	0	111.4	S1399 F1400 R1405 C1406 N1407	S1399-E1403 WeakPolarHBondContact O-CB 3.16Å; S1399-E1403 PolarHBondContact O-N 3.49Å; F1400-E1403 PolarHBondContact O-N 2.72Å; E1403-R1405 VanDerWaalsContact C-N 3.32Å; E1403-R1405 PolarHBondContact O-N 2.76Å; E1403-C1406 PolarHBondContact O-N 3.05Å; E1403-N1407 VanDerWaalsContact O-CB 3.3Å; E1403-N1407 WeakPolarHBondContact O-CB 3.46Å; E1403-N1407 VanDerWaalsContact O-CG 3.26Å; E1403-N1407 PolarHBondContact O-N 3.33Å; E1403-N1407 PolarHBondContact O-ND2 3.27Å; E1403-N1407 VanDerWaalsContact O-ND2 3.13Å
1404	Q	71.5	Confident	64.6	Low	43 Å²	43	76 Å²	76	20%	0.201	39%	0.393	C	S	.	.	H	α-helix	trans	-56.9	-42.3	171.8	-101.8	-80.4	-46.6	0	0	112	Y1189 F1400 L1401 K1408	Y1189-Q1404 HydrophobicContact CD2-CG 4.14Å; Y1189-Q1404 HydrophobicContact CE2-CG 4.29Å; F1400-Q1404 HydrophobicContact CD1-CG 4.45Å; F1400-Q1404 HydrophobicContact CE1-CG 3.78Å; F1400-Q1404 HydrophobicContact CE2-CG 4.48Å; F1400-Q1404 HydrophobicContact CZ-CG 3.8Å; F1400-Q1404 WeakPolarHBondContact O-CB 3.36Å; F1400-Q1404 PolarHBondContact O-N 3.42Å; L1401-Q1404 VanDerWaalsContact O-CB 3.28Å; L1401-Q1404 WeakPolarHBondContact O-CB 3.35Å; L1401-Q1404 PolarHBondContact O-N 2.86Å; Q1404-K1408 WeakPolarHBondContact O-CB 3.45Å; Q1404-K1408 WeakPolarHBondContact O-CD 3.38Å; Q1404-K1408 VanDerWaalsContact O-CG 3.24Å; Q1404-K1408 WeakPolarHBondContact O-CG 3.42Å; Q1404-K1408 PolarHBondContact O-N 2.85Å
1405	R	66.4	Low	63.7	Low	58 Å²	58	79 Å²	79	22%	0.219	41%	0.405	C	S	.	.	H	α-helix	trans	-65.7	-46.7	176	-77.3	167.6	172.6	159.7	-0.3	112.2	E1191 L1401 E1402 E1403 K1408 L1409	E1191-R1405 WeakPolarHBondContact OE1-CG 3.33Å; E1191-R1405 IonicContact OE1-CZ 2.77Å; E1191-R1405 IonicContact OE1-NE 3.74Å; E1191-R1405 PolarHBondContact OE1-NE 3.5Å; E1191-R1405 IonicContact OE1-NH2 3.08Å; L1401-R1405 WeakPolarHBondContact O-CG 3.49Å; L1401-R1405 PolarHBondContact O-N 3.27Å; E1402-R1405 WeakPolarHBondContact O-CB 3.35Å; E1402-R1405 PolarHBondContact O-N 3.45Å; E1402-R1405 VanDerWaalsContact OE2-CD 3.3Å; E1402-R1405 WeakPolarHBondContact OE2-CD 3.46Å; E1402-R1405 IonicContact OE2-CZ 3.72Å; E1402-R1405 IonicContact OE2-NE 2.77Å; E1402-R1405 IonicContact OE2-NH1 3.35Å; E1402-R1405 PolarHBondContact OE2-NH1 3.23Å; E1403-R1405 VanDerWaalsContact C-N 3.32Å; E1403-R1405 PolarHBondContact O-N 2.76Å; R1405-K1408 PolarHBondContact O-N 2.79Å; R1405-L1409 WeakPolarHBondContact O-CB 3.31Å; R1405-L1409 VanDerWaalsContact O-CG 3.27Å; R1405-L1409 WeakPolarHBondContact O-CG 3.47Å; R1405-L1409 PolarHBondContact O-N 2.88Å
1406	C	67.1	Low	62.4	Low	64 Å²	64	75.6 Å²	75.6	43%	0.432	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-50.1	174.8	-65.6	0	0	0	0	110.6	E1402 E1403 K1408 L1409 E1410	E1402-C1406 PolarHBondContact O-N 3.17Å; E1402-C1406 PolarHBondContact O-SG 2.76Å; E1403-C1406 PolarHBondContact O-N 3.05Å; C1406-K1408 PolarHBondContact O-N 2.92Å; C1406-L1409 CarbonylContact O-C 3.44Å; C1406-L1409 PolarHBondContact O-N 2.78Å; C1406-L1409 VanDerWaalsContact O-N 3.11Å; C1406-E1410 WeakPolarHBondContact O-CG 3.42Å; C1406-E1410 PolarHBondContact O-N 2.93Å
1407	N	69.4	Low	60.8	Low	76 Å²	76	76.9 Å²	76.9	41%	0.406	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-41.7	177.5	-73.7	-35.6	0	0	0	112.8	E1403 E1410 E1411	E1403-N1407 VanDerWaalsContact O-CB 3.3Å; E1403-N1407 WeakPolarHBondContact O-CB 3.46Å; E1403-N1407 VanDerWaalsContact O-CG 3.26Å; E1403-N1407 PolarHBondContact O-N 3.33Å; E1403-N1407 PolarHBondContact O-ND2 3.27Å; E1403-N1407 VanDerWaalsContact O-ND2 3.13Å; N1407-E1410 PolarHBondContact O-N 2.78Å; N1407-E1411 VanDerWaalsContact O-CB 3.3Å; N1407-E1411 WeakPolarHBondContact O-CB 3.37Å; N1407-E1411 PolarHBondContact O-N 3.41Å
1408	K	65.1	Low	59.1	Low	71 Å²	71	81.6 Å²	81.6	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-41.4	173.3	-79.5	161.4	169.6	154.7	0	111.7	E1191 Q1404 R1405 C1406 C1412	E1191-K1408 IonicContact OE2-NZ 3.99Å; E1191-K1408 PolarHBondContact OE2-NZ 3.47Å; Q1404-K1408 WeakPolarHBondContact O-CB 3.45Å; Q1404-K1408 WeakPolarHBondContact O-CD 3.38Å; Q1404-K1408 VanDerWaalsContact O-CG 3.24Å; Q1404-K1408 WeakPolarHBondContact O-CG 3.42Å; Q1404-K1408 PolarHBondContact O-N 2.85Å; R1405-K1408 PolarHBondContact O-N 2.79Å; C1406-K1408 PolarHBondContact O-N 2.92Å; K1408-C1412 PolarHBondContact O-N 3.11Å; K1408-C1412 VanDerWaalsContact O-N 3.16Å; K1408-C1412 PolarHBondContact O-SG 3.39Å
1409	L	61.1	Low	57.4	Low	92 Å²	92	80.8 Å²	80.8	48%	0.482	44%	0.435	S	S	.	.	H	α-helix	trans	-70.5	-37.2	178.3	-73.7	166.7	0	0	0	112.3	R1405 C1406 Q1413	R1405-L1409 WeakPolarHBondContact O-CB 3.31Å; R1405-L1409 VanDerWaalsContact O-CG 3.27Å; R1405-L1409 WeakPolarHBondContact O-CG 3.47Å; R1405-L1409 PolarHBondContact O-N 2.88Å; C1406-L1409 CarbonylContact O-C 3.44Å; C1406-L1409 PolarHBondContact O-N 2.78Å; C1406-L1409 VanDerWaalsContact O-N 3.11Å; L1409-Q1413 WeakPolarHBondContact O-CG 3.16Å; L1409-Q1413 PolarHBondContact O-N 2.96Å; L1409-Q1413 PolarHBondContact O-NE2 3.4Å
1410	E	59	Low	55.4	Low	115 Å²	115	87.9 Å²	87.9	54%	0.537	45%	0.449	S	S	.	.	H	α-helix	trans	-70.8	-43.2	173.8	-74.6	-171.8	-168.5	0	0	111.9	C1406 N1407 C1412 Q1413 V1414	C1406-E1410 WeakPolarHBondContact O-CG 3.42Å; C1406-E1410 PolarHBondContact O-N 2.93Å; N1407-E1410 PolarHBondContact O-N 2.78Å; E1410-C1412 PolarHBondContact O-N 2.82Å; E1410-Q1413 CarbonylContact O-C 3.56Å; E1410-Q1413 WeakPolarHBondContact O-CA 3.22Å; E1410-Q1413 WeakPolarHBondContact O-CB 3.35Å; E1410-Q1413 PolarHBondContact O-N 2.82Å; E1410-V1414 WeakPolarHBondContact O-CG2 3.19Å; E1410-V1414 PolarHBondContact O-N 2.8Å
1411	E	58.1	Low	53	Low	130 Å²	130	91.1 Å²	91.1	61%	0.607	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-33.2	176.7	-170.7	171.4	-134.5	0	0	111.3	N1407 Q1413 N1415	N1407-E1411 VanDerWaalsContact O-CB 3.3Å; N1407-E1411 WeakPolarHBondContact O-CB 3.37Å; N1407-E1411 PolarHBondContact O-N 3.41Å; E1411-Q1413 VanDerWaalsContact C-N 3.3Å; E1411-Q1413 PolarHBondContact O-N 2.95Å; E1411-N1415 WeakPolarHBondContact CG-ND2 3.43Å; E1411-N1415 WeakPolarHBondContact O-CB 3.45Å; E1411-N1415 PolarHBondContact O-N 2.88Å; E1411-N1415 VanDerWaalsContact O-N 3.13Å; E1411-N1415 PolarHBondContact O-ND2 2.87Å
1412	C	49.2	Very low	51.1	Low	45 Å²	45	97.3 Å²	97.3	30%	0.304	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-24	170.4	-69	0	0	0	0	114.1	K1408 E1410 A1495	K1408-C1412 PolarHBondContact O-N 3.11Å; K1408-C1412 VanDerWaalsContact O-N 3.16Å; K1408-C1412 PolarHBondContact O-SG 3.39Å; E1410-C1412 PolarHBondContact O-N 2.82Å; C1412-A1495 HydrophobicContact CB-CB 4.2Å
1413	Q	47.8	Very low	49.3	Very low	96 Å²	96	98.6 Å²	98.6	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-86	-45.6	174.6	-69.1	164.9	66.7	0	0	111.2	L1409 E1410 E1411 N1415 N1416 T1417	L1409-Q1413 WeakPolarHBondContact O-CG 3.16Å; L1409-Q1413 PolarHBondContact O-N 2.96Å; L1409-Q1413 PolarHBondContact O-NE2 3.4Å; E1410-Q1413 CarbonylContact O-C 3.56Å; E1410-Q1413 WeakPolarHBondContact O-CA 3.22Å; E1410-Q1413 WeakPolarHBondContact O-CB 3.35Å; E1410-Q1413 PolarHBondContact O-N 2.82Å; E1411-Q1413 VanDerWaalsContact C-N 3.3Å; E1411-Q1413 PolarHBondContact O-N 2.95Å; Q1413-N1415 VanDerWaalsContact C-N 3.33Å; Q1413-N1415 PolarHBondContact O-N 3.48Å; Q1413-N1416 WeakPolarHBondContact O-CB 3.46Å; Q1413-N1416 PolarHBondContact O-N 3.09Å; Q1413-N1416 VanDerWaalsContact O-N 3.09Å; Q1413-T1417 PolarHBondContact O-N 2.75Å
1414	V	45.4	Very low	47.2	Very low	77 Å²	77	97.7 Å²	97.7	47%	0.467	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-31.7	-177.8	173.7	0	0	0	0	112.6	E1410 N1416 T1417 T1418	E1410-V1414 WeakPolarHBondContact O-CG2 3.19Å; E1410-V1414 PolarHBondContact O-N 2.8Å; V1414-N1416 PolarHBondContact O-N 2.78Å; V1414-T1417 PolarHBondContact O-N 2.89Å; V1414-T1417 PolarHBondContact O-OG1 2.63Å; V1414-T1417 VanDerWaalsContact O-OG1 3.06Å; V1414-T1418 WeakPolarHBondContact O-CB 3.32Å; V1414-T1418 PolarHBondContact O-N 2.8Å; V1414-T1418 VanDerWaalsContact O-N 3.08Å; V1414-T1418 PolarHBondContact O-OG1 2.93Å
1415	N	42.7	Very low	45.5	Very low	110 Å²	110	101.3 Å²	101.3	59%	0.588	57%	0.566	S	S	*	*	H	α-helix	trans	-66.8	-22.3	174.3	-83.1	-65	0	0	0	113.5	E1411 Q1413	E1411-N1415 WeakPolarHBondContact CG-ND2 3.43Å; E1411-N1415 WeakPolarHBondContact O-CB 3.45Å; E1411-N1415 PolarHBondContact O-N 2.88Å; E1411-N1415 VanDerWaalsContact O-N 3.13Å; E1411-N1415 PolarHBondContact O-ND2 2.87Å; Q1413-N1415 VanDerWaalsContact C-N 3.33Å; Q1413-N1415 PolarHBondContact O-N 3.48Å
1416	N	37.7	Very low	43.9	Very low	83 Å²	83	106.8 Å²	106.8	44%	0.444	59%	0.592	S	S	.	*	H	α-helix	trans	-78.5	-36.6	172.2	-80.4	-43.4	0	0	0	112.4	Q1413 V1414 S1419	Q1413-N1416 WeakPolarHBondContact O-CB 3.46Å; Q1413-N1416 PolarHBondContact O-N 3.09Å; Q1413-N1416 VanDerWaalsContact O-N 3.09Å; V1414-N1416 PolarHBondContact O-N 2.78Å; N1416-S1419 PolarHBondContact O-OG 2.9Å
1417	T	34.9	Very low	42.3	Very low	97 Å²	97	108.6 Å²	108.6	60%	0.595	61%	0.605	S	S	*	*	H	α-helix	trans	-78.4	-30.5	-177.9	56.2	0	0	0	0	113.5	Q1413 V1414 S1419	Q1413-T1417 PolarHBondContact O-N 2.75Å; V1414-T1417 PolarHBondContact O-N 2.89Å; V1414-T1417 PolarHBondContact O-OG1 2.63Å; V1414-T1417 VanDerWaalsContact O-OG1 3.06Å; T1417-S1419 PolarHBondContact O-N 2.86Å; T1417-S1419 VanDerWaalsContact O-N 3.08Å
1418	T	31.7	Very low	40.5	Very low	108 Å²	108	110.2 Å²	110.2	66%	0.663	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	5.6	-172.2	-48.5	0	0	0	0	114.4	V1414	V1414-T1418 WeakPolarHBondContact O-CB 3.32Å; V1414-T1418 PolarHBondContact O-N 2.8Å; V1414-T1418 VanDerWaalsContact O-N 3.08Å; V1414-T1418 PolarHBondContact O-OG1 2.93Å
1419	S	31.7	Very low	39	Very low	101 Å²	101	113.3 Å²	113.3	71%	0.706	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-3.2	179.9	69.7	0	0	0	0	115.2	N1416 T1417	N1416-S1419 PolarHBondContact O-OG 2.9Å; T1417-S1419 PolarHBondContact O-N 2.86Å; T1417-S1419 VanDerWaalsContact O-N 3.08Å
1420	R	29.5	Very low	37.6	Very low	233 Å²	233	112.7 Å²	112.7	88%	0.879	65%	0.646	S	S	*	*	S	Bend	trans	-153.9	56	-167.5	-151	176.3	-176	176.5	-1.3	118.2
1421	S	27.9	Very low	36.4	Very low	109 Å²	109	116.8 Å²	116.8	76%	0.762	66%	0.656	S	S	*	*			trans	-152.6	108.7	161.9	44.5	0	0	0	0	114.1
1422	T	30.8	Very low	35.1	Very low	134 Å²	134	116.3 Å²	116.3	82%	0.822	66%	0.663	S	S	*	*			trans	-129.1	145.6	158.8	45.8	0	0	0	0	107.7
1423	S	32.2	Very low	34.4	Very low	115 Å²	115	121.2 Å²	121.2	80%	0.804	68%	0.684	S	S	*	*			trans	58.1	114.8	-162.5	43.9	0	0	0	0	113.9
1424	A	32.6	Very low	33.6	Very low	95 Å²	95	125.3 Å²	125.3	79%	0.785	70%	0.7	S	S	*	*				78.7	143.6	62.4	0	0	0	0	0	112
1425	D	34.2	Very low	32.9	Very low	118 Å²	118	126.4 Å²	126.4	63%	0.631	71%	0.712	S	S	*	*			cis	-163.2	158.7	23.9	-157.7	1.9	0	0	0	113.4
1426	K	34.1	Very low	32.3	Very low	173 Å²	173	125.5 Å²	125.5	75%	0.752	72%	0.72	S	S	*	*			trans	61.6	153.9	169	-66.7	129.4	-177.7	154	0	118.3
1427	S	33.8	Very low	32	Very low	102 Å²	102	127.3 Å²	127.3	71%	0.713	73%	0.734	S	S	*	*			cis	-160.8	126.9	-7	40.3	0	0	0	0	107.2
1428	S	30.8	Very low	31.9	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	74%	0.744	S	S	*	*				92.3	88.8	51.7	76.6	0	0	0	0	115.8
1429	D	34.4	Very low	31.8	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	75%	0.749	S	S	*	*			trans	-152.5	124.8	143.4	-114.4	-41.4	0	0	0	105.6	R1431	D1429-R1431 IonicContact OD1-NH2 3.41Å
1430	S	31.6	Very low	32	Very low	79 Å²	79	133 Å²	133	55%	0.552	76%	0.755	S	S	*	*				71.1	134.3	56.5	117.8	0	0	0	0	112.8
1431	R	33.9	Very low	32	Very low	201 Å²	201	125.5 Å²	125.5	76%	0.758	75%	0.75	S	S	*	*			cis	-163.9	148.6	24.1	-149.4	171	-64.7	175.9	0.4	114.3	D1429	D1429-R1431 IonicContact OD1-NH2 3.41Å
1432	T	30.2	Very low	32.1	Very low	120 Å²	120	127.6 Å²	127.6	74%	0.736	75%	0.753	S	S	*	*			trans	65.3	158.5	159.1	28.2	0	0	0	0	117.5
1433	I	34.4	Very low	32	Very low	148 Å²	148	129.8 Å²	129.8	76%	0.759	75%	0.751	S	S	*	*			cis	-137	137.2	27.5	-70.1	176.3	0	0	0	113.4
1434	K	31.3	Very low	31.9	Very low	181 Å²	181	129.7 Å²	129.7	79%	0.787	75%	0.746	S	S	*	*			trans	12.1	155.7	138.8	-51.5	176.9	-175.7	175.9	0	121.4
1435	S	30.3	Very low	31.8	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	75%	0.748	S	S	*	*			cis	178.5	151.5	-14.6	54.3	0	0	0	0	112.6
1436	A	30.6	Very low	31.4	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	75%	0.75	S	S	*	*			trans	46.3	138	142.8	0	0	0	0	0	120.7
1437	T	32.3	Very low	31.3	Very low	121 Å²	121	129.2 Å²	129.2	74%	0.742	76%	0.758	S	S	*	*			cis	-143	-157.3	39	49.8	0	0	0	0	110.1
1438	K	32.7	Very low	31.1	Very low	186 Å²	186	130.7 Å²	130.7	81%	0.809	76%	0.763	S	S	*	*			cis	-156.9	-161.5	9.7	-145	160.7	-172	173	0	111.6
1439	S	28	Very low	31	Very low	109 Å²	109	129 Å²	129	76%	0.762	76%	0.763	S	S	*	*			trans	-158.2	-172.3	-179.8	-36.1	0	0	0	0	108
1440	P	35.7	Very low	30.8	Very low	129 Å²	129	129.7 Å²	129.7	84%	0.838	76%	0.761	S	S	*	*			cis	-117	-176.8	6.7	40.9	-24	0	0	0	112.7
1441	G	30.5	Very low	30.6	Very low	76 Å²	76	134 Å²	134	78%	0.784	77%	0.77	S	S	*	*			cis	112.4	155.5	27	0	0	0	0	0	109.7
1442	N	29.7	Very low	30.1	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	77%	0.774	S	S	*	*			cis	-169	176.1	2.1	-168	-1	0	0	0	109.4
1443	K	30	Very low	30	Very low	179 Å²	179	128.4 Å²	128.4	78%	0.778	78%	0.78	S	S	*	*			trans	78.3	147.8	171.6	-56	-177.1	179.5	178.3	0	116.6
1444	T	28.8	Very low	29.6	Very low	113 Å²	113	127 Å²	127	69%	0.693	78%	0.783	S	S	*	*			cis	-164.4	153.4	-6.5	13.9	0	0	0	0	112.3
1445	I	31.7	Very low	29.5	Very low	161 Å²	161	124.8 Å²	124.8	83%	0.826	79%	0.785	S	S	*	*			trans	66.7	142.8	154.3	-61	156.7	0	0	0	116.9
1446	G	25.4	Very low	29.2	Very low	66 Å²	66	132 Å²	132	68%	0.68	80%	0.797	S	S	*	*			cis	136.3	79	-10.1	0	0	0	0	0	115.8
1447	V	31.4	Very low	29.1	Very low	150 Å²	150	130.5 Å²	130.5	91%	0.909	79%	0.79	S	S	*	*			trans	-137.9	150.7	168.3	-179.6	0	0	0	0	110.5
1448	T	28.9	Very low	29.1	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	79%	0.794	S	S	*	*			trans	-117.7	127.3	-161.2	52.7	0	0	0	0	116
1449	G	29.1	Very low	29.6	Very low	75 Å²	75	127.4 Å²	127.4	77%	0.773	79%	0.792	S	S	*	*			trans	74.6	163.7	152.7	0	0	0	0	0	117.9
1450	Q	30.1	Very low	30.7	Very low	151 Å²	151	126.1 Å²	126.1	71%	0.706	79%	0.788	S	S	*	*			cis	-145.4	149.8	-7.6	-66.1	-168.4	22.8	0	0	111.4
1451	K	28.2	Very low	32	Very low	168 Å²	168	130 Å²	130	73%	0.73	79%	0.791	S	S	*	*			trans	47.7	106.3	148	-61.6	159.6	-172.6	158.8	0	117.4
1452	S	24	Very low	34.1	Very low	121 Å²	121	127.1 Å²	127.1	85%	0.846	76%	0.758	S	S	*	*			cis	66.4	114.2	36	97.1	0	0	0	0	115.6
1453	G	26.2	Very low	36.3	Very low	84 Å²	84	122.8 Å²	122.8	87%	0.866	73%	0.734	S	S	*	*			trans	-159	40.1	173.1	0	0	0	0	0	112.3
1454	S	26.6	Very low	38.6	Very low	118 Å²	118	118.9 Å²	118.9	83%	0.825	72%	0.716	S	S	*	*			trans	-93.2	147.2	-175.3	-166.5	0	0	0	0	112.7
1455	T	28.7	Very low	40.9	Very low	134 Å²	134	119 Å²	119	82%	0.822	71%	0.712	S	S	*	*			trans	-71.4	132.2	178.2	-53.3	0	0	0	0	110.7	G1457	T1455-G1457 PolarHBondContact O-N 3.47Å
1456	R	25.7	Very low	43	Very low	253 Å²	253	112.4 Å²	112.4	96%	0.955	68%	0.678	S	S	*	*			trans	-84.5	101.5	-175	-171.5	177.7	-175.5	173.5	0.4	111.2
1457	G	28.1	Very low	45.6	Very low	59 Å²	59	109.4 Å²	109.4	61%	0.608	65%	0.646	S	S	*	*			trans	-167.9	112.7	173	0	0	0	0	0	112.3	T1455	T1455-G1457 PolarHBondContact O-N 3.47Å
1458	T	32.5	Very low	48.2	Very low	136 Å²	136	102.5 Å²	102.5	83%	0.834	60%	0.604	S	S	*	*			trans	38	83.3	164.9	57.7	0	0	0	0	118
1459	S	42.4	Very low	51.1	Low	107 Å²	107	96.2 Å²	96.2	75%	0.748	57%	0.565	S	S	*	*				-138.2	108.3	125.3	57.9	0	0	0	0	109.6
1460	A	52.1	Low	54	Low	82 Å²	82	94.4 Å²	94.4	68%	0.678	54%	0.536	S	S	*	.			trans	-65.5	148	148.2	0	0	0	0	0	106.7	I1462	A1460-I1462 PolarHBondContact O-N 3.12Å
1461	K	62.7	Low	56.9	Low	209 Å²	209	87.2 Å²	87.2	91%	0.909	50%	0.503	S	S	*	.			trans	-59.4	115.8	171.6	-95.9	-171	168.7	-169.9	0	108	D1463	K1461-D1463 PolarHBondContact O-N 3.38Å
1462	I	74.1	Confident	59.8	Low	16 Å²	16	80.9 Å²	80.9	8%	0.082	47%	0.474	C	S	.	.			trans	-64.5	132.9	174.6	-68.9	178.4	0	0	0	108.1	E1187 Y1189 A1460 Y1464 H1468	E1187-I1462 HydrophobicContact CB-CD1 3.73Å; E1187-I1462 HydrophobicContact CG-CD1 3.72Å; Y1189-I1462 HydrophobicContact CD1-CG2 4.46Å; Y1189-I1462 HydrophobicContact CE1-CG2 3.83Å; A1460-I1462 PolarHBondContact O-N 3.12Å; I1462-Y1464 HydrophobicContact CB-CE1 4.5Å; I1462-Y1464 HydrophobicContact CG2-CD1 4.38Å; I1462-Y1464 HydrophobicContact CG2-CE1 4.46Å; I1462-Y1464 PolarHBondContact O-N 2.86Å; I1462-H1468 HydrophobicContact CG2-CB 3.83Å
1463	D	75.6	Confident	63	Low	63 Å²	63	75.2 Å²	75.2	34%	0.337	43%	0.434	S	S	.	.			trans	-74.2	108.1	168.1	-177	4.9	0	0	0	108.6	Y1189 K1461 N1465 Q1466	Y1189-D1463 PolarHBondContact OH-N 2.92Å; K1461-D1463 PolarHBondContact O-N 3.38Å; D1463-N1465 PolarHBondContact O-N 3.11Å; D1463-N1465 VanDerWaalsContact O-N 3.17Å; D1463-N1465 WeakPolarHBondContact OD1-CB 3.36Å; D1463-N1465 PolarHBondContact OD1-N 3.32Å; D1463-N1465 PolarHBondContact OD1-ND2 3.03Å; D1463-Q1466 HydrophobicContact CB-CB 4.36Å; D1463-Q1466 HydrophobicContact CB-CG 4Å; D1463-Q1466 WeakPolarHBondContact O-CB 3.35Å; D1463-Q1466 PolarHBondContact O-N 3.21Å
1464	Y	79.4	Confident	66	Low	98 Å²	98	71.9 Å²	71.9	38%	0.384	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.4	-179.4	-63	-59.5	0	0	0	113.7	H1044 T1046 E1187 I1462 Q1466 H1468	H1044-Y1464 VanDerWaalsContact CB-O 3.32Å; H1044-Y1464 WeakPolarHBondContact CB-O 3.36Å; H1044-Y1464 AromaticContact CD2-CG 3.95Å; T1046-Y1464 WeakPolarHBondContact CG2-O 3.47Å; E1187-Y1464 PolarHBondContact OE1-OH 3.13Å; I1462-Y1464 HydrophobicContact CB-CE1 4.5Å; I1462-Y1464 HydrophobicContact CG2-CD1 4.38Å; I1462-Y1464 HydrophobicContact CG2-CE1 4.46Å; I1462-Y1464 PolarHBondContact O-N 2.86Å; Y1464-Q1466 VanDerWaalsContact C-N 3.33Å; Y1464-H1468 AromaticContact CD1-CE1 3.84Å; Y1464-H1468 AromaticContact CD1-NE2 3.79Å
1465	N	75.7	Confident	68.8	Low	116 Å²	116	66.4 Å²	66.4	62%	0.62	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-21.8	168.7	-54.4	-70.9	0	0	0	112.3	T1046 D1463	T1046-N1465 VanDerWaalsContact CG2-O 3.29Å; T1046-N1465 WeakPolarHBondContact CG2-O 3.47Å; D1463-N1465 PolarHBondContact O-N 3.11Å; D1463-N1465 VanDerWaalsContact O-N 3.17Å; D1463-N1465 WeakPolarHBondContact OD1-CB 3.36Å; D1463-N1465 PolarHBondContact OD1-N 3.32Å; D1463-N1465 PolarHBondContact OD1-ND2 3.03Å
1466	Q	77.3	Confident	71.1	Confident	22 Å²	22	63.2 Å²	63.2	10%	0.103	34%	0.336	C	S	.	.	S	Bend	trans	-88.3	151.5	176.6	-65.3	-66	-16	0	0	110.8	Y1189 N1397 F1400 D1463 Y1464 H1468	Y1189-Q1466 HydrophobicContact CD1-CB 4.36Å; Y1189-Q1466 HydrophobicContact CE1-CB 4.05Å; N1397-Q1466 VanDerWaalsContact CG-OE1 3.27Å; N1397-Q1466 PolarHBondContact OD1-OE1 2.99Å; F1400-Q1466 HydrophobicContact CD1-CB 3.92Å; F1400-Q1466 VanDerWaalsContact CD1-CD 3.4Å; F1400-Q1466 HydrophobicContact CD1-CG 3.53Å; F1400-Q1466 HydrophobicContact CD2-CG 4.11Å; F1400-Q1466 HydrophobicContact CE1-CB 3.82Å; F1400-Q1466 HydrophobicContact CE1-CG 3.64Å; F1400-Q1466 HydrophobicContact CE2-CG 4.19Å; F1400-Q1466 HydrophobicContact CG-CG 3.78Å; F1400-Q1466 HydrophobicContact CZ-CB 4.43Å; F1400-Q1466 HydrophobicContact CZ-CG 3.97Å; D1463-Q1466 HydrophobicContact CB-CB 4.36Å; D1463-Q1466 HydrophobicContact CB-CG 4Å; D1463-Q1466 WeakPolarHBondContact O-CB 3.35Å; D1463-Q1466 PolarHBondContact O-N 3.21Å; Y1464-Q1466 VanDerWaalsContact C-N 3.33Å; Q1466-H1468 PolarHBondContact O-N 3.43Å; Q1466-H1468 PolarHBondContact O-ND1 2.78Å
1467	A	79.3	Confident	73.4	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	31%	0.307	C	S	.	.			trans	-66.7	121.4	-179.9	0	0	0	0	0	110.9	Y1190 S1218 L1393	Y1190-A1467 VanDerWaalsContact CB-C 3.46Å; Y1190-A1467 VanDerWaalsContact CB-O 3.3Å; Y1190-A1467 WeakPolarHBondContact CB-O 3.48Å; Y1190-A1467 HydrophobicContact CD1-CB 3.72Å; Y1190-A1467 HydrophobicContact CG-CB 4.27Å; Y1190-A1467 PolarHBondContact N-O 3.3Å; S1218-A1467 WeakPolarHBondContact OG-CA 3.29Å; L1393-A1467 HydrophobicContact CD2-CB 3.46Å; L1393-A1467 VanDerWaalsContact CD2-CB 3.46Å
1468	H	85.5	Confident	75.2	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.023	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.6	-175.7	60.3	-84.6	0	0	0	111.3	D1188 S1218 I1462 Y1464 Q1466	D1188-H1468 WeakPolarHBondContact O-CA 3.35Å; S1218-H1468 WeakPolarHBondContact CB-O 3.37Å; S1218-H1468 PolarHBondContact N-O 2.75Å; S1218-H1468 PolarHBondContact OG-N 3.44Å; S1218-H1468 PolarHBondContact OG-O 3Å; I1462-H1468 HydrophobicContact CG2-CB 3.83Å; Y1464-H1468 AromaticContact CD1-CE1 3.84Å; Y1464-H1468 AromaticContact CD1-NE2 3.79Å; Q1466-H1468 PolarHBondContact O-N 3.43Å; Q1466-H1468 PolarHBondContact O-ND1 2.78Å
1469	W	89.7	Confident	76.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.7	169.2	62	-94.6	0	0	0	111.2	L1186 E1187 D1188 Y1189 L1198 F1199 L1215 R1216 L1217 M1471	L1186-W1469 HydrophobicContact CB-CZ3 4.25Å; E1187-W1469 WeakPolarHBondContact CA-O 3.31Å; D1188-W1469 HydrophobicContact CB-CD2 4.25Å; D1188-W1469 HydrophobicContact CB-CH2 3.93Å; D1188-W1469 HydrophobicContact CB-CZ2 3.22Å; D1188-W1469 PolarHBondContact N-O 3.34Å; D1188-W1469 PolarHBondContact O-N 2.97Å; Y1189-W1469 PolarHBondContact O-NE1 3.18Å; L1198-W1469 HydrophobicContact CD2-CB 4.18Å; L1198-W1469 HydrophobicContact CD2-CG 3.9Å; L1198-W1469 HydrophobicContact CG-CG 4.43Å; F1199-W1469 HydrophobicContact CB-CZ2 4.17Å; F1199-W1469 AromaticContact CD1-CD2 3.88Å; F1199-W1469 HydrophobicContact CD1-CD2 3.88Å; F1199-W1469 AromaticContact CD1-CE2 3.45Å; F1199-W1469 VanDerWaalsContact CD1-CE2 3.45Å; F1199-W1469 HydrophobicContact CD1-CE3 4.11Å; F1199-W1469 AromaticContact CD1-CH2 3.62Å; F1199-W1469 HydrophobicContact CD1-CH2 3.62Å; F1199-W1469 AromaticContact CD1-CZ2 3.3Å; F1199-W1469 HydrophobicContact CD1-CZ2 3.3Å; F1199-W1469 HydrophobicContact CD1-CZ3 4.01Å; F1199-W1469 AromaticContact CE1-CD2 3.77Å; F1199-W1469 HydrophobicContact CE1-CD2 3.77Å; F1199-W1469 AromaticContact CE1-CE2 3.85Å; F1199-W1469 AromaticContact CE1-CE3 3.65Å; F1199-W1469 HydrophobicContact CE1-CE3 3.65Å; F1199-W1469 AromaticContact CE1-CH2 3.78Å; F1199-W1469 HydrophobicContact CE1-CH2 3.78Å; F1199-W1469 AromaticContact CE1-CZ2 3.85Å; F1199-W1469 HydrophobicContact CE1-CZ2 3.85Å; F1199-W1469 AromaticContact CE1-CZ3 3.68Å; F1199-W1469 HydrophobicContact CE1-CZ3 3.68Å; F1199-W1469 HydrophobicContact CG-CH2 4.19Å; F1199-W1469 AromaticContact CG-CZ2 3.96Å; F1199-W1469 HydrophobicContact CG-CZ2 3.96Å; F1199-W1469 HydrophobicContact CZ-CH2 4.47Å; F1199-W1469 HydrophobicContact CZ-CZ3 4.29Å; L1215-W1469 HydrophobicContact CD1-CB 4.27Å; L1215-W1469 HydrophobicContact CD1-CE3 4.1Å; R1216-W1469 WeakPolarHBondContact O-CA 3.31Å; L1217-W1469 HydrophobicContact CD2-CB 3.61Å; W1469-M1471 HydrophobicContact CE3-CB 4.13Å; W1469-M1471 HydrophobicContact CZ3-CB 3.8Å
1470	K	90.2	Very high	78.1	Confident	37 Å²	37	49.2 Å²	49.2	16%	0.161	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.4	174.9	-171.4	158.7	179.7	150.5	0	110.3	M1043 W1062 E1185 L1186 E1187 R1216	M1043-K1470 HydrophobicContact CE-CB 4.44Å; M1043-K1470 HydrophobicContact SD-CB 4.08Å; W1062-K1470 HydrophobicContact CH2-CB 4.09Å; W1062-K1470 HydrophobicContact CH2-CD 4.48Å; W1062-K1470 HydrophobicContact CH2-CG 3.81Å; W1062-K1470 HydrophobicContact CZ2-CB 4.11Å; W1062-K1470 HydrophobicContact CZ2-CD 4.02Å; W1062-K1470 HydrophobicContact CZ2-CG 3.83Å; E1185-K1470 WeakPolarHBondContact OE2-CE 3.4Å; E1185-K1470 IonicContact OE2-NZ 3.63Å; E1185-K1470 PolarHBondContact OE2-NZ 2.82Å; L1186-K1470 CarbonylContact O-C 3.58Å; L1186-K1470 WeakPolarHBondContact O-CA 3.38Å; E1187-K1470 HydrophobicContact CB-CB 4.37Å; E1187-K1470 HydrophobicContact CB-CD 4.38Å; E1187-K1470 HydrophobicContact CB-CG 4.19Å; E1187-K1470 WeakPolarHBondContact OE2-CD 3.45Å; E1187-K1470 WeakPolarHBondContact OE2-CE 3.23Å; E1187-K1470 IonicContact OE2-NZ 2.79Å; E1187-K1470 PolarHBondContact OE2-NZ 3.46Å; R1216-K1470 PolarHBondContact N-O 2.85Å; R1216-K1470 PolarHBondContact O-N 3.4Å
1471	M	91.3	Very high	79.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134	175.9	-174.8	175.1	61.9	0	0	110	E1185 L1186 F1199 I1213 H1214 L1215 L1226 I1382 W1469 I1473	E1185-M1471 WeakPolarHBondContact CA-O 3.19Å; L1186-M1471 HydrophobicContact CD1-CE 3.89Å; L1186-M1471 PolarHBondContact N-O 2.89Å; L1186-M1471 PolarHBondContact O-N 3.23Å; F1199-M1471 HydrophobicContact CE2-CE 4.06Å; F1199-M1471 HydrophobicContact CE2-SD 3.84Å; F1199-M1471 HydrophobicContact CZ-CB 4.47Å; F1199-M1471 HydrophobicContact CZ-CE 4.14Å; F1199-M1471 HydrophobicContact CZ-SD 3.6Å; I1213-M1471 HydrophobicContact CG2-CG 3.76Å; I1213-M1471 HydrophobicContact CG2-SD 3.62Å; H1214-M1471 CarbonylContact O-C 3.31Å; H1214-M1471 VanDerWaalsContact O-CA 3.31Å; H1214-M1471 WeakPolarHBondContact O-CA 3.5Å; L1215-M1471 HydrophobicContact CD1-CB 4.24Å; L1226-M1471 HydrophobicContact CD1-SD 4.49Å; I1382-M1471 HydrophobicContact CD1-CE 4.16Å; I1382-M1471 HydrophobicContact CD1-SD 4.42Å; I1382-M1471 HydrophobicContact CG2-SD 4.1Å; W1469-M1471 HydrophobicContact CE3-CB 4.13Å; W1469-M1471 HydrophobicContact CZ3-CB 3.8Å; M1471-I1473 HydrophobicContact CE-CD1 4.19Å; M1471-I1473 HydrophobicContact CE-CG1 4.44Å; M1471-I1473 HydrophobicContact CG-CG1 4.5Å
1472	R	89.7	Confident	80.5	Confident	35 Å²	35	42.4 Å²	42.4	13%	0.132	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.6	174.1	-175.5	-177.7	-73.3	172.7	2.2	109.2	W1062 T1183 I1184 E1185 I1213 H1214 I1474	W1062-R1472 VanDerWaalsContact CB-NH1 3.29Å; W1062-R1472 HydrophobicContact CE3-CB 3.72Å; W1062-R1472 HydrophobicContact CE3-CG 4.44Å; W1062-R1472 HydrophobicContact CH2-CB 4.13Å; W1062-R1472 HydrophobicContact CZ3-CB 3.31Å; W1062-R1472 HydrophobicContact CZ3-CG 4.44Å; T1183-R1472 HydrophobicContact CG2-CG 3.38Å; I1184-R1472 CarbonylContact O-C 3.59Å; I1184-R1472 WeakPolarHBondContact O-CA 3.19Å; E1185-R1472 HydrophobicContact CG-CG 4.33Å; E1185-R1472 IonicContact OE1-CZ 3.38Å; E1185-R1472 IonicContact OE1-NE 3.88Å; E1185-R1472 PolarHBondContact OE1-NE 3.06Å; E1185-R1472 IonicContact OE1-NH2 2.77Å; E1185-R1472 PolarHBondContact OE1-NH2 2.94Å; I1213-R1472 WeakPolarHBondContact CA-O 3.47Å; H1214-R1472 PolarHBondContact N-O 2.67Å; H1214-R1472 PolarHBondContact O-N 3.31Å; R1472-I1474 HydrophobicContact CG-CG1 4.29Å
1473	I	89.9	Confident	81	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129	169.8	-49.1	-163.6	0	0	0	108.9	T1183 I1184 I1211 T1212 I1213 I1382 M1471 I1483	T1183-I1473 WeakPolarHBondContact CA-O 3.33Å; I1184-I1473 HydrophobicContact CB-CB 4.45Å; I1184-I1473 PolarHBondContact N-O 2.99Å; I1184-I1473 PolarHBondContact O-N 3.07Å; I1211-I1473 HydrophobicContact CB-CG2 4.39Å; I1211-I1473 HydrophobicContact CG2-CG2 4.34Å; T1212-I1473 CarbonylContact O-C 3.22Å; T1212-I1473 WeakPolarHBondContact O-CA 3.5Å; I1213-I1473 HydrophobicContact CD1-CD1 4.39Å; I1213-I1473 HydrophobicContact CG1-CD1 4.23Å; I1213-I1473 HydrophobicContact CG1-CG1 4.22Å; I1213-I1473 HydrophobicContact CG1-CG2 4.28Å; I1213-I1473 HydrophobicContact CG2-CG1 4.23Å; I1382-I1473 HydrophobicContact CD1-CD1 3.33Å; M1471-I1473 HydrophobicContact CE-CD1 4.19Å; M1471-I1473 HydrophobicContact CE-CG1 4.44Å; M1471-I1473 HydrophobicContact CG-CG1 4.5Å; I1473-I1483 HydrophobicContact CD1-CD1 3.52Å; I1473-I1483 HydrophobicContact CD1-CG1 4.32Å; I1473-I1483 HydrophobicContact CG1-CD1 4.16Å
1474	I	88.7	Confident	81.1	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.6	177.8	-50.2	176	0	0	0	108.6	L1065 R1068 F1181 Y1182 I1211 T1212 R1472	L1065-I1474 HydrophobicContact CD1-CD1 4.05Å; L1065-I1474 HydrophobicContact CD1-CG2 4.24Å; L1065-I1474 HydrophobicContact CG-CD1 4.29Å; R1068-I1474 PolarHBondContact NH1-O 2.78Å; F1181-I1474 HydrophobicContact CB-CG2 3.45Å; F1181-I1474 VanDerWaalsContact CB-CG2 3.45Å; F1181-I1474 HydrophobicContact CD1-CG2 4.33Å; F1181-I1474 HydrophobicContact CG-CG2 3.86Å; Y1182-I1474 WeakPolarHBondContact O-CA 3.5Å; I1211-I1474 WeakPolarHBondContact CA-O 3.41Å; T1212-I1474 PolarHBondContact N-O 3.28Å; T1212-I1474 VanDerWaalsContact N-O 3.13Å; T1212-I1474 PolarHBondContact O-N 3.31Å; R1472-I1474 HydrophobicContact CG-CG1 4.29Å
1475	C	86.5	Confident	81	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	169.4	178.7	62.3	0	0	0	0	111.4	Y1182 I1211 N1477 I1481	Y1182-C1475 PolarHBondContact N-O 3.41Å; Y1182-C1475 PolarHBondContact O-N 2.7Å; I1211-C1475 HydrophobicContact CG2-CB 4.43Å; C1475-N1477 VanDerWaalsContact C-N 3.33Å; C1475-N1477 PolarHBondContact O-N 2.91Å; C1475-N1477 PolarHBondContact SG-O 3.12Å; C1475-I1481 HydrophobicContact CB-CD1 3.63Å; C1475-I1481 HydrophobicContact CB-CG1 4.35Å
1476	N	76.9	Confident	80.5	Confident	68 Å²	68	38.5 Å²	38.5	36%	0.364	20%	0.195	S	C	.	.	S	Bend	trans	-74.8	-21.2	-176.8	-69	2	0	0	0	113.2	R1068	R1068-N1476 PolarHBondContact NH2-OD1 3.48Å
1477	N	73.3	Confident	79.9	Confident	64 Å²	64	40.3 Å²	40.3	34%	0.342	21%	0.205	S	C	.	.			trans	-160.7	148.1	-171.3	175.4	23.6	0	0	0	110.8	C1475 D1480	C1475-N1477 VanDerWaalsContact C-N 3.33Å; C1475-N1477 PolarHBondContact O-N 2.91Å; C1475-N1477 PolarHBondContact SG-O 3.12Å; N1477-D1480 VanDerWaalsContact CB-OD2 3.24Å; N1477-D1480 WeakPolarHBondContact CB-OD2 3.3Å; N1477-D1480 PolarHBondContact ND2-OD2 3.05Å
1478	S	67.1	Low	78.9	Confident	50 Å²	50	44.8 Å²	44.8	35%	0.35	23%	0.229	S	C	.	.	S	Bend	trans	-75.6	-27.9	-172.8	60.3	0	0	0	0	115.2	Y1182	Y1182-S1478 VanDerWaalsContact CZ-CB 3.5Å
1479	N	66.4	Low	77.6	Confident	121 Å²	121	49.3 Å²	49.3	65%	0.647	25%	0.248	S	C	*	.	S	Bend	trans	-84.3	-19.3	-177.7	-69.4	-50.1	0	0	0	113.3
1480	D	69.7	Low	76.2	Confident	26 Å²	26	54 Å²	54	14%	0.139	27%	0.272	C	S	.	.	S	Bend	trans	-80.1	-17.4	-167.9	-72.7	-35.3	0	0	0	114.1	A1205 S1206 N1207 N1477	A1205-D1480 CarbonylContact C-O 3.48Å; A1205-D1480 VanDerWaalsContact CA-O 3.25Å; A1205-D1480 WeakPolarHBondContact CA-O 3.35Å; S1206-D1480 PolarHBondContact N-O 3.09Å; S1206-D1480 WeakPolarHBondContact OG-CA 3.33Å; S1206-D1480 PolarHBondContact OG-OD1 3.39Å; N1207-D1480 PolarHBondContact ND2-OD1 3.48Å; N1477-D1480 VanDerWaalsContact CB-OD2 3.24Å; N1477-D1480 WeakPolarHBondContact CB-OD2 3.3Å; N1477-D1480 PolarHBondContact ND2-OD2 3.05Å
1481	I	81.1	Confident	74.6	Confident	7 Å²	7	55 Å²	55	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.2	-177.3	-57.1	-170.9	0	0	0	111.2	I1184 I1203 I1204 I1211 C1475	I1184-I1481 HydrophobicContact CD1-CG2 4.48Å; I1203-I1481 HydrophobicContact CG2-CG2 3.56Å; I1204-I1481 WeakPolarHBondContact O-CA 3.31Å; I1211-I1481 HydrophobicContact CG2-CD1 3.2Å; C1475-I1481 HydrophobicContact CB-CD1 3.63Å; C1475-I1481 HydrophobicContact CB-CG1 4.35Å
1482	K	83.1	Confident	73.2	Confident	140 Å²	140	60.3 Å²	60.3	61%	0.609	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.5	169.4	-67.2	171.4	-173.9	164.6	0	110	I1204	I1204-K1482 HydrophobicContact CB-CB 4.49Å; I1204-K1482 PolarHBondContact N-O 2.89Å; I1204-K1482 PolarHBondContact O-N 3.07Å
1483	I	83.8	Confident	72.1	Confident	38 Å²	38	62.5 Å²	62.5	20%	0.195	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	174.9	-48.2	171.2	0	0	0	107.9	I1184 L1186 R1201 R1202 I1473	I1184-I1483 HydrophobicContact CB-CD1 4.33Å; I1184-I1483 HydrophobicContact CD1-CD1 4.14Å; I1184-I1483 HydrophobicContact CD1-CG1 4.45Å; I1184-I1483 HydrophobicContact CG2-CD1 3.7Å; L1186-I1483 HydrophobicContact CD1-CB 4.45Å; L1186-I1483 HydrophobicContact CD1-CD1 3.78Å; L1186-I1483 HydrophobicContact CD1-CG2 3.97Å; R1201-I1483 HydrophobicContact CB-CG2 3.82Å; R1202-I1483 CarbonylContact O-C 3.58Å; R1202-I1483 WeakPolarHBondContact O-CA 3.38Å; I1473-I1483 HydrophobicContact CD1-CD1 3.52Å; I1473-I1483 HydrophobicContact CD1-CG1 4.32Å; I1473-I1483 HydrophobicContact CG1-CD1 4.16Å
1484	M	78.3	Confident	71.1	Confident	78 Å²	78	67.6 Å²	67.6	38%	0.384	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.6	176.3	-63.9	-172.6	68.1	0	0	110.8	R1201 R1202 I1204	R1201-M1484 CarbonylContact C-O 3.29Å; R1201-M1484 WeakPolarHBondContact CA-O 3.45Å; R1202-M1484 HydrophobicContact CB-CB 4.48Å; R1202-M1484 PolarHBondContact N-O 3.14Å; R1202-M1484 PolarHBondContact O-N 3.36Å; I1204-M1484 HydrophobicContact CD1-SD 3.88Å
1485	N	77.4	Confident	70.2	Confident	48 Å²	48	67.6 Å²	67.6	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.1	163.4	-174.8	-2.4	0	0	0	108.7	D1487 N1488	N1485-D1487 WeakPolarHBondContact OD1-CB 3.36Å; N1485-D1487 PolarHBondContact OD1-N 3.25Å; N1485-N1488 PolarHBondContact ND2-OD1 3.22Å
1486	M	65.6	Low	69.5	Low	48 Å²	48	70.5 Å²	70.5	24%	0.236	36%	0.361	C	S	.	.			trans	-109.4	-12.6	179.9	-65.5	-71.4	-73.9	0	0	112.3	R1202 W1381 N1488 K1489 M1490	R1202-M1486 HydrophobicContact CB-CG 4.17Å; W1381-M1486 HydrophobicContact CH2-CB 4.22Å; W1381-M1486 HydrophobicContact CH2-CE 4.26Å; W1381-M1486 HydrophobicContact CH2-CG 3.93Å; W1381-M1486 HydrophobicContact CZ3-CB 3.92Å; W1381-M1486 HydrophobicContact CZ3-CG 3.72Å; M1486-N1488 VanDerWaalsContact C-N 3.27Å; M1486-N1488 PolarHBondContact O-N 3.45Å; M1486-K1489 HydrophobicContact CE-CD 4Å; M1486-K1489 WeakPolarHBondContact O-CB 3.48Å; M1486-K1489 PolarHBondContact O-N 3.48Å; M1486-K1489 HydrophobicContact SD-CD 3.95Å; M1486-M1490 PolarHBondContact O-N 3.04Å
1487	D	64.2	Low	69.4	Low	60 Å²	60	73.8 Å²	73.8	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-40.6	175.6	-57.7	-41.9	0	0	0	109.7	R1200 N1485 K1489 M1490 S1491	R1200-D1487 PolarHBondContact N-OD2 2.85Å; N1485-D1487 WeakPolarHBondContact OD1-CB 3.36Å; N1485-D1487 PolarHBondContact OD1-N 3.25Å; D1487-K1489 VanDerWaalsContact C-N 3.27Å; D1487-K1489 PolarHBondContact O-N 3.2Å; D1487-M1490 PolarHBondContact O-N 3.47Å; D1487-M1490 VanDerWaalsContact O-N 3.14Å; D1487-S1491 PolarHBondContact O-N 2.93Å; D1487-S1491 PolarHBondContact O-OG 3.02Å
1488	N	59.2	Low	69.4	Low	95 Å²	95	76.8 Å²	76.8	51%	0.508	38%	0.379	S	S	.	.	H	α-helix	trans	-57.6	-34.4	171.9	-70.7	27	0	0	0	113.2	N1485 M1486 E1492	N1485-N1488 PolarHBondContact ND2-OD1 3.22Å; M1486-N1488 VanDerWaalsContact C-N 3.27Å; M1486-N1488 PolarHBondContact O-N 3.45Å; N1488-E1492 VanDerWaalsContact O-CB 3.25Å; N1488-E1492 WeakPolarHBondContact O-CB 3.16Å; N1488-E1492 PolarHBondContact O-N 3.29Å
1489	K	58.6	Low	69.7	Low	100 Å²	100	75.8 Å²	75.8	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-72.2	-37.1	176.9	-96	-172.5	175.9	-177.2	0	112.2	M1486 D1487 S1491 E1492 I1493	M1486-K1489 HydrophobicContact CE-CD 4Å; M1486-K1489 WeakPolarHBondContact O-CB 3.48Å; M1486-K1489 PolarHBondContact O-N 3.48Å; M1486-K1489 HydrophobicContact SD-CD 3.95Å; D1487-K1489 VanDerWaalsContact C-N 3.27Å; D1487-K1489 PolarHBondContact O-N 3.2Å; K1489-S1491 VanDerWaalsContact C-N 3.32Å; K1489-E1492 PolarHBondContact O-N 3.49Å; K1489-I1493 WeakPolarHBondContact O-CB 3.44Å; K1489-I1493 WeakPolarHBondContact O-CD1 3.41Å; K1489-I1493 WeakPolarHBondContact O-CG1 3.44Å; K1489-I1493 PolarHBondContact O-N 2.84Å
1490	M	58.4	Low	70.2	Confident	102 Å²	102	76.1 Å²	76.1	50%	0.502	37%	0.365	S	S	.	.	H	α-helix	trans	-69	-36.4	176	-166.6	59.3	163.3	0	0	110.7	M1486 D1487 I1493 K1494	M1486-M1490 PolarHBondContact O-N 3.04Å; D1487-M1490 PolarHBondContact O-N 3.47Å; D1487-M1490 VanDerWaalsContact O-N 3.14Å; M1490-I1493 PolarHBondContact O-N 3.41Å; M1490-K1494 WeakPolarHBondContact O-CB 3.37Å; M1490-K1494 WeakPolarHBondContact O-CG 3.45Å; M1490-K1494 PolarHBondContact O-N 3.49Å
1491	S	57.9	Low	70.7	Confident	57 Å²	57	77.5 Å²	77.5	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-65.9	-43.7	170.4	-62.5	0	0	0	0	112.6	D1487 K1489 I1493 K1494 A1495	D1487-S1491 PolarHBondContact O-N 2.93Å; D1487-S1491 PolarHBondContact O-OG 3.02Å; K1489-S1491 VanDerWaalsContact C-N 3.32Å; S1491-I1493 PolarHBondContact O-N 2.84Å; S1491-K1494 PolarHBondContact O-N 3.3Å; S1491-A1495 VanDerWaalsContact O-CB 3.32Å; S1491-A1495 WeakPolarHBondContact O-CB 3.46Å; S1491-A1495 PolarHBondContact O-N 2.7Å
1492	E	61.1	Low	70.5	Confident	111 Å²	111	83.1 Å²	83.1	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-57.6	-46	173	-178.8	-179.3	-154.3	0	0	111	N1488 K1489 A1495 L1496	N1488-E1492 VanDerWaalsContact O-CB 3.25Å; N1488-E1492 WeakPolarHBondContact O-CB 3.16Å; N1488-E1492 PolarHBondContact O-N 3.29Å; K1489-E1492 PolarHBondContact O-N 3.49Å; E1492-A1495 PolarHBondContact O-N 3.24Å; E1492-L1496 WeakPolarHBondContact O-CB 3.39Å; E1492-L1496 PolarHBondContact O-N 2.97Å
1493	I	67.3	Low	70.2	Confident	81 Å²	81	84.2 Å²	84.2	42%	0.415	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.5	-69	164.9	0	0	0	111.8	K1489 M1490 S1491 L1496 K1497	K1489-I1493 WeakPolarHBondContact O-CB 3.44Å; K1489-I1493 WeakPolarHBondContact O-CD1 3.41Å; K1489-I1493 WeakPolarHBondContact O-CG1 3.44Å; K1489-I1493 PolarHBondContact O-N 2.84Å; M1490-I1493 PolarHBondContact O-N 3.41Å; S1491-I1493 PolarHBondContact O-N 2.84Å; I1493-L1496 PolarHBondContact O-N 2.71Å; I1493-K1497 HydrophobicContact CG2-CD 4.42Å; I1493-K1497 WeakPolarHBondContact O-CB 3.36Å; I1493-K1497 WeakPolarHBondContact O-CG 3.46Å; I1493-K1497 PolarHBondContact O-N 3.26Å
1494	K	68	Low	70	Confident	110 Å²	110	86.2 Å²	86.2	48%	0.478	42%	0.415	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.5	-81.2	-165.4	174.6	-162.1	0	111.2	M1490 S1491 K1497 R1498	M1490-K1494 WeakPolarHBondContact O-CB 3.37Å; M1490-K1494 WeakPolarHBondContact O-CG 3.45Å; M1490-K1494 PolarHBondContact O-N 3.49Å; S1491-K1494 PolarHBondContact O-N 3.3Å; K1494-K1497 PolarHBondContact O-N 3.13Å; K1494-R1498 WeakPolarHBondContact O-CB 3.45Å; K1494-R1498 PolarHBondContact O-N 3.48Å
1495	A	69.5	Low	70.2	Confident	14 Å²	14	87.2 Å²	87.2	12%	0.116	43%	0.427	C	S	.	.	H	α-helix	trans	-65.4	-41.3	175.3	0	0	0	0	0	112	C1412 S1491 E1492 R1498 A1499	C1412-A1495 HydrophobicContact CB-CB 4.2Å; S1491-A1495 VanDerWaalsContact O-CB 3.32Å; S1491-A1495 WeakPolarHBondContact O-CB 3.46Å; S1491-A1495 PolarHBondContact O-N 2.7Å; E1492-A1495 PolarHBondContact O-N 3.24Å; A1495-R1498 PolarHBondContact O-N 3.16Å; A1495-A1499 VanDerWaalsContact O-CB 3.26Å; A1495-A1499 WeakPolarHBondContact O-CB 3.48Å; A1495-A1499 PolarHBondContact O-N 2.88Å
1496	L	72.6	Confident	70.4	Confident	63 Å²	63	85.9 Å²	85.9	33%	0.33	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-45.4	173.4	-111.5	152.7	0	0	0	112.2	E1492 I1493 W1500	E1492-L1496 WeakPolarHBondContact O-CB 3.39Å; E1492-L1496 PolarHBondContact O-N 2.97Å; I1493-L1496 PolarHBondContact O-N 2.71Å; L1496-W1500 HydrophobicContact CD2-CD2 4.47Å; L1496-W1500 HydrophobicContact CD2-CZ2 3.74Å; L1496-W1500 WeakPolarHBondContact O-CB 3.41Å; L1496-W1500 PolarHBondContact O-N 3.37Å
1497	K	74.3	Confident	71.3	Confident	136 Å²	136	88 Å²	88	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-63.1	-43.4	175.4	-76.4	-178.5	176.1	-172.6	0	111.9	I1493 K1494 W1500 E1501	I1493-K1497 HydrophobicContact CG2-CD 4.42Å; I1493-K1497 WeakPolarHBondContact O-CB 3.36Å; I1493-K1497 WeakPolarHBondContact O-CG 3.46Å; I1493-K1497 PolarHBondContact O-N 3.26Å; K1494-K1497 PolarHBondContact O-N 3.13Å; K1497-W1500 PolarHBondContact O-N 3.39Å; K1497-E1501 PolarHBondContact O-N 2.94Å
1498	R	74.7	Confident	71.8	Confident	128 Å²	128	87.8 Å²	87.8	48%	0.483	44%	0.437	S	S	.	.	H	α-helix	trans	-66.7	-45.4	179.4	-159.9	-173.9	-75.1	144.3	-6.9	111.4	K1494 A1495 W1500 E1501 E1502	K1494-R1498 WeakPolarHBondContact O-CB 3.45Å; K1494-R1498 PolarHBondContact O-N 3.48Å; A1495-R1498 PolarHBondContact O-N 3.16Å; R1498-W1500 VanDerWaalsContact C-N 3.29Å; R1498-W1500 PolarHBondContact O-N 2.92Å; R1498-E1501 PolarHBondContact O-N 2.85Å; R1498-E1502 WeakPolarHBondContact CD-OE1 3.22Å; R1498-E1502 WeakPolarHBondContact CG-OE1 3.42Å; R1498-E1502 WeakPolarHBondContact O-CB 3.47Å; R1498-E1502 WeakPolarHBondContact O-CG 3.47Å; R1498-E1502 PolarHBondContact O-N 3.39Å
1499	A	73.1	Confident	72.8	Confident	28 Å²	28	88.4 Å²	88.4	23%	0.231	44%	0.439	C	S	.	.	H	α-helix	trans	-62.5	-31.9	173.8	0	0	0	0	0	113.2	A1495 M1503	A1495-A1499 VanDerWaalsContact O-CB 3.26Å; A1495-A1499 WeakPolarHBondContact O-CB 3.48Å; A1495-A1499 PolarHBondContact O-N 2.88Å; A1499-M1503 VanDerWaalsContact O-CB 3.31Å; A1499-M1503 WeakPolarHBondContact O-CB 3.48Å; A1499-M1503 WeakPolarHBondContact O-CG 3.49Å; A1499-M1503 PolarHBondContact O-N 2.98Å
1500	W	76.8	Confident	74	Confident	128 Å²	128	89.1 Å²	89.1	49%	0.485	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-35.1	171.4	-73.4	-7.8	0	0	0	113.1	L1496 K1497 R1498 E1504 R1507	L1496-W1500 HydrophobicContact CD2-CD2 4.47Å; L1496-W1500 HydrophobicContact CD2-CZ2 3.74Å; L1496-W1500 WeakPolarHBondContact O-CB 3.41Å; L1496-W1500 PolarHBondContact O-N 3.37Å; K1497-W1500 PolarHBondContact O-N 3.39Å; R1498-W1500 VanDerWaalsContact C-N 3.29Å; R1498-W1500 PolarHBondContact O-N 2.92Å; W1500-E1504 PolarHBondContact O-N 2.91Å; W1500-R1507 WeakPolarHBondContact O-CD 3.4Å
1501	E	79.7	Confident	75	Confident	56 Å²	56	86.8 Å²	86.8	26%	0.262	44%	0.436	S	S	.	.	H	α-helix	trans	-73.5	-41	175.9	-163.9	63.2	-153.6	0	0	111.3	K1497 R1498 M1503 E1504 P1505 G1506 R1507 A1508	K1497-E1501 PolarHBondContact O-N 2.94Å; R1498-E1501 PolarHBondContact O-N 2.85Å; E1501-M1503 VanDerWaalsContact C-N 3.34Å; E1501-M1503 PolarHBondContact O-N 2.97Å; E1501-E1504 CarbonylContact O-C 3.46Å; E1501-E1504 VanDerWaalsContact O-C 3.29Å; E1501-E1504 PolarHBondContact O-N 3.47Å; E1501-E1504 VanDerWaalsContact O-N 3.15Å; E1501-P1505 WeakPolarHBondContact O-CA 3.44Å; E1501-P1505 WeakPolarHBondContact O-CD 3.37Å; E1501-P1505 VanDerWaalsContact O-N 3.1Å; E1501-G1506 WeakPolarHBondContact OE1-CA 3.5Å; E1501-G1506 PolarHBondContact OE1-N 3.4Å; E1501-R1507 PolarHBondContact OE1-N 3.2Å; E1501-R1507 WeakPolarHBondContact OE2-CB 3.13Å; E1501-R1507 PolarHBondContact OE2-N 3.04Å; E1501-A1508 WeakPolarHBondContact OE2-CB 3.3Å; E1501-A1508 PolarHBondContact OE2-N 3.48Å
1502	E	76.9	Confident	75.8	Confident	124 Å²	124	91 Å²	91	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-62.9	-37	173.4	-71.3	162.6	-170.7	0	0	112.2	R1498 E1504	R1498-E1502 WeakPolarHBondContact CD-OE1 3.22Å; R1498-E1502 WeakPolarHBondContact CG-OE1 3.42Å; R1498-E1502 WeakPolarHBondContact O-CB 3.47Å; R1498-E1502 WeakPolarHBondContact O-CG 3.47Å; R1498-E1502 PolarHBondContact O-N 3.39Å; E1502-E1504 VanDerWaalsContact C-N 3.35Å
1503	M	76.1	Confident	76.8	Confident	164 Å²	164	91 Å²	91	81%	0.808	45%	0.453	S	S	*	.	H	α-helix	trans	-71.5	-24.2	172.8	-83.2	-165.6	71.1	0	0	114	A1499 E1501	A1499-M1503 VanDerWaalsContact O-CB 3.31Å; A1499-M1503 WeakPolarHBondContact O-CB 3.48Å; A1499-M1503 WeakPolarHBondContact O-CG 3.49Å; A1499-M1503 PolarHBondContact O-N 2.98Å; E1501-M1503 VanDerWaalsContact C-N 3.34Å; E1501-M1503 PolarHBondContact O-N 2.97Å
1504	E	79.7	Confident	77.3	Confident	79 Å²	79	90.6 Å²	90.6	37%	0.369	46%	0.457	S	S	.	.	S	Bend	trans	-151.9	63.8	-167.8	-153.2	-153.8	131.7	0	0	113.1	W1500 E1501 E1502 R1507 R1510	W1500-E1504 PolarHBondContact O-N 2.91Å; E1501-E1504 CarbonylContact O-C 3.46Å; E1501-E1504 VanDerWaalsContact O-C 3.29Å; E1501-E1504 PolarHBondContact O-N 3.47Å; E1501-E1504 VanDerWaalsContact O-N 3.15Å; E1502-E1504 VanDerWaalsContact C-N 3.35Å; E1504-R1507 HydrophobicContact CB-CB 4.27Å; E1504-R1507 WeakPolarHBondContact O-CB 3.27Å; E1504-R1507 PolarHBondContact O-N 2.9Å; E1504-R1507 IonicContact OE2-CZ 2.73Å; E1504-R1507 IonicContact OE2-NE 2.66Å; E1504-R1507 PolarHBondContact OE2-NE 2.92Å; E1504-R1507 IonicContact OE2-NH2 3.59Å; E1504-R1507 PolarHBondContact OE2-NH2 3.02Å; E1504-R1510 PolarHBondContact O-NH2 2.97Å; E1504-R1510 IonicContact OE1-CZ 2.76Å; E1504-R1510 IonicContact OE1-NE 3.85Å; E1504-R1510 IonicContact OE1-NH2 3.06Å; E1504-R1510 PolarHBondContact OE1-NH2 3.18Å
1505	P	82.5	Confident	78	Confident	99 Å²	99	93.7 Å²	93.7	64%	0.643	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	142.3	-167.8	-30.9	36.5	0	0	0	116.1	E1501 R1507 R1510	E1501-P1505 WeakPolarHBondContact O-CA 3.44Å; E1501-P1505 WeakPolarHBondContact O-CD 3.37Å; E1501-P1505 VanDerWaalsContact O-N 3.1Å; P1505-R1507 VanDerWaalsContact C-N 3.32Å; P1505-R1510 PolarHBondContact O-NH1 3.27Å; P1505-R1510 PolarHBondContact O-NH2 3.24Å
1506	G	82.7	Confident	78.4	Confident	21 Å²	21	95.4 Å²	95.4	22%	0.216	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	12	-171.9	0	0	0	0	0	114	E1501 I1509 R1510	E1501-G1506 WeakPolarHBondContact OE1-CA 3.5Å; E1501-G1506 PolarHBondContact OE1-N 3.4Å; G1506-I1509 PolarHBondContact O-N 3.42Å; G1506-R1510 WeakPolarHBondContact O-CG 3.13Å; G1506-R1510 PolarHBondContact O-N 2.95Å; G1506-R1510 PolarHBondContact O-NH1 2.75Å
1507	R	83.8	Confident	78.6	Confident	92 Å²	92	101.4 Å²	101.4	35%	0.347	50%	0.498	S	S	.	.	H	α-helix	trans	-70.3	-39.9	-176	167.3	-175.7	-123.6	-98.2	-5.1	111.9	W1500 E1501 E1504 P1505 I1509 R1510 A1511	W1500-R1507 WeakPolarHBondContact O-CD 3.4Å; E1501-R1507 PolarHBondContact OE1-N 3.2Å; E1501-R1507 WeakPolarHBondContact OE2-CB 3.13Å; E1501-R1507 PolarHBondContact OE2-N 3.04Å; E1504-R1507 HydrophobicContact CB-CB 4.27Å; E1504-R1507 WeakPolarHBondContact O-CB 3.27Å; E1504-R1507 PolarHBondContact O-N 2.9Å; E1504-R1507 IonicContact OE2-CZ 2.73Å; E1504-R1507 IonicContact OE2-NE 2.66Å; E1504-R1507 PolarHBondContact OE2-NE 2.92Å; E1504-R1507 IonicContact OE2-NH2 3.59Å; E1504-R1507 PolarHBondContact OE2-NH2 3.02Å; P1505-R1507 VanDerWaalsContact C-N 3.32Å; R1507-I1509 VanDerWaalsContact C-N 3.31Å; R1507-I1509 PolarHBondContact O-N 3.48Å; R1507-R1510 PolarHBondContact O-N 3.05Å; R1507-A1511 WeakPolarHBondContact O-CB 3.28Å; R1507-A1511 PolarHBondContact O-N 2.96Å
1508	A	75.7	Confident	78.7	Confident	56 Å²	56	101 Å²	101	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-56.8	-47.3	171.6	0	0	0	0	0	110.7	E1501 A1511 E1512	E1501-A1508 WeakPolarHBondContact OE2-CB 3.3Å; E1501-A1508 PolarHBondContact OE2-N 3.48Å; A1508-A1511 PolarHBondContact O-N 3.35Å; A1508-E1512 WeakPolarHBondContact O-CB 3.23Å; A1508-E1512 PolarHBondContact O-N 3.25Å
1509	I	80.1	Confident	78.7	Confident	108 Å²	108	97 Å²	97	55%	0.554	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-44.2	178.3	-57	174	0	0	0	111	G1506 R1507 A1511 E1512 L1513	G1506-I1509 PolarHBondContact O-N 3.42Å; R1507-I1509 VanDerWaalsContact C-N 3.31Å; R1507-I1509 PolarHBondContact O-N 3.48Å; I1509-A1511 VanDerWaalsContact C-N 3.34Å; I1509-A1511 PolarHBondContact O-N 3.37Å; I1509-E1512 PolarHBondContact O-N 3.18Å; I1509-L1513 HydrophobicContact CG2-CD1 3.96Å; I1509-L1513 HydrophobicContact CG2-CG 4.4Å; I1509-L1513 WeakPolarHBondContact O-CB 3.29Å; I1509-L1513 VanDerWaalsContact O-CG 3.32Å; I1509-L1513 WeakPolarHBondContact O-CG 3.22Å; I1509-L1513 PolarHBondContact O-N 2.98Å
1510	R	84	Confident	78.9	Confident	114 Å²	114	102.3 Å²	102.3	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-41.2	174.7	-73.8	-171.3	-64	-76.3	3.6	112	E1504 P1505 G1506 R1507 S1514	E1504-R1510 PolarHBondContact O-NH2 2.97Å; E1504-R1510 IonicContact OE1-CZ 2.76Å; E1504-R1510 IonicContact OE1-NE 3.85Å; E1504-R1510 IonicContact OE1-NH2 3.06Å; E1504-R1510 PolarHBondContact OE1-NH2 3.18Å; P1505-R1510 PolarHBondContact O-NH1 3.27Å; P1505-R1510 PolarHBondContact O-NH2 3.24Å; G1506-R1510 WeakPolarHBondContact O-CG 3.13Å; G1506-R1510 PolarHBondContact O-N 2.95Å; G1506-R1510 PolarHBondContact O-NH1 2.75Å; R1507-R1510 PolarHBondContact O-N 3.05Å; R1510-S1514 WeakPolarHBondContact O-CB 3.44Å; R1510-S1514 PolarHBondContact O-N 2.78Å; R1510-S1514 PolarHBondContact O-OG 3.3Å
1511	A	77.8	Confident	78.9	Confident	53 Å²	53	103.3 Å²	103.3	44%	0.438	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-43.5	176.9	0	0	0	0	0	111.8	R1507 A1508 I1509 S1514 R1515	R1507-A1511 WeakPolarHBondContact O-CB 3.28Å; R1507-A1511 PolarHBondContact O-N 2.96Å; A1508-A1511 PolarHBondContact O-N 3.35Å; I1509-A1511 VanDerWaalsContact C-N 3.34Å; I1509-A1511 PolarHBondContact O-N 3.37Å; A1511-S1514 WeakPolarHBondContact CA-OG 3.48Å; A1511-S1514 PolarHBondContact O-N 2.98Å; A1511-S1514 PolarHBondContact O-OG 3.27Å; A1511-R1515 PolarHBondContact O-N 2.91Å
1512	E	75.1	Confident	78.4	Confident	145 Å²	145	107.2 Å²	107.2	68%	0.678	53%	0.525	S	S	*	.	H	α-helix	trans	-66.1	-45.2	178.4	-173.9	150.9	-138.5	0	0	112.2	A1508 I1509 S1514 R1515 A1516	A1508-E1512 WeakPolarHBondContact O-CB 3.23Å; A1508-E1512 PolarHBondContact O-N 3.25Å; I1509-E1512 PolarHBondContact O-N 3.18Å; E1512-S1514 VanDerWaalsContact C-N 3.29Å; E1512-S1514 PolarHBondContact O-N 3.17Å; E1512-R1515 PolarHBondContact O-N 2.74Å; E1512-R1515 VanDerWaalsContact O-N 3.16Å; E1512-A1516 WeakPolarHBondContact O-CB 3.45Å; E1512-A1516 PolarHBondContact O-N 3.47Å
1513	L	81.8	Confident	77.6	Confident	113 Å²	113	104.4 Å²	104.4	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-60.6	-36.5	171.8	-71	171	0	0	0	112.5	I1509 R1517	I1509-L1513 HydrophobicContact CG2-CD1 3.96Å; I1509-L1513 HydrophobicContact CG2-CG 4.4Å; I1509-L1513 WeakPolarHBondContact O-CB 3.29Å; I1509-L1513 VanDerWaalsContact O-CG 3.32Å; I1509-L1513 WeakPolarHBondContact O-CG 3.22Å; I1509-L1513 PolarHBondContact O-N 2.98Å; L1513-R1517 PolarHBondContact O-N 3.39Å
1514	S	79.1	Confident	76.6	Confident	72 Å²	72	100.6 Å²	100.6	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-70	-35.8	175.2	76.4	0	0	0	0	112.7	R1510 A1511 E1512 Y1518	R1510-S1514 WeakPolarHBondContact O-CB 3.44Å; R1510-S1514 PolarHBondContact O-N 2.78Å; R1510-S1514 PolarHBondContact O-OG 3.3Å; A1511-S1514 WeakPolarHBondContact CA-OG 3.48Å; A1511-S1514 PolarHBondContact O-N 2.98Å; A1511-S1514 PolarHBondContact O-OG 3.27Å; E1512-S1514 VanDerWaalsContact C-N 3.29Å; E1512-S1514 PolarHBondContact O-N 3.17Å; S1514-Y1518 WeakPolarHBondContact O-CB 3.44Å; S1514-Y1518 PolarHBondContact O-N 3.06Å
1515	R	82.8	Confident	75	Confident	174 Å²	174	103.2 Å²	103.2	66%	0.657	53%	0.526	S	S	*	.	H	α-helix	trans	-69.5	-42.2	174.3	178.3	-179.7	169.1	107.2	2.1	111.2	A1511 E1512 Y1518 L1519	A1511-R1515 PolarHBondContact O-N 2.91Å; E1512-R1515 PolarHBondContact O-N 2.74Å; E1512-R1515 VanDerWaalsContact O-N 3.16Å; R1515-Y1518 PolarHBondContact O-N 2.89Å; R1515-L1519 HydrophobicContact CG-CD1 3.91Å; R1515-L1519 HydrophobicContact CG-CG 4.37Å; R1515-L1519 WeakPolarHBondContact O-CG 3.46Å; R1515-L1519 PolarHBondContact O-N 3.47Å
1516	A	77.2	Confident	73.1	Confident	50 Å²	50	105 Å²	105	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-58.4	-52.1	175.6	0	0	0	0	0	110.6	E1512 Y1518 L1519 E1520	E1512-A1516 WeakPolarHBondContact O-CB 3.45Å; E1512-A1516 PolarHBondContact O-N 3.47Å; A1516-Y1518 VanDerWaalsContact C-N 3.34Å; A1516-Y1518 PolarHBondContact O-N 2.91Å; A1516-L1519 PolarHBondContact O-N 3.39Å; A1516-E1520 WeakPolarHBondContact O-CB 3.35Å; A1516-E1520 PolarHBondContact O-N 2.8Å
1517	R	77.4	Confident	70.9	Confident	190 Å²	190	112.1 Å²	112.1	72%	0.717	56%	0.558	S	S	*	*	H	α-helix	trans	-55.9	-44	173.1	-86.1	-170.3	175.8	175.1	0.4	113.2	L1513 E1520 E1521	L1513-R1517 PolarHBondContact O-N 3.39Å; R1517-E1520 PolarHBondContact O-N 2.94Å; R1517-E1521 WeakPolarHBondContact O-CB 3.44Å; R1517-E1521 PolarHBondContact O-N 2.92Å
1518	Y	76.5	Confident	68.6	Low	126 Å²	126	113.1 Å²	113.1	49%	0.494	58%	0.576	S	S	.	*	H	α-helix	trans	-65.3	-39.9	-179.6	-174.8	-86.4	0	0	0	112.3	S1514 R1515 A1516 Y1522	S1514-Y1518 WeakPolarHBondContact O-CB 3.44Å; S1514-Y1518 PolarHBondContact O-N 3.06Å; R1515-Y1518 PolarHBondContact O-N 2.89Å; A1516-Y1518 VanDerWaalsContact C-N 3.34Å; A1516-Y1518 PolarHBondContact O-N 2.91Å; Y1518-Y1522 HydrophobicContact CD1-CD2 4.2Å; Y1518-Y1522 AromaticContact CD2-CD2 3.86Å; Y1518-Y1522 HydrophobicContact CD2-CD2 3.86Å; Y1518-Y1522 AromaticContact CD2-CE2 3.79Å; Y1518-Y1522 HydrophobicContact CD2-CE2 3.79Å; Y1518-Y1522 AromaticContact CE1-CD2 3.97Å; Y1518-Y1522 HydrophobicContact CE1-CD2 3.97Å; Y1518-Y1522 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1522 HydrophobicContact CE1-CG 4.45Å; Y1518-Y1522 AromaticContact CE2-CD2 3.63Å; Y1518-Y1522 HydrophobicContact CE2-CD2 3.63Å; Y1518-Y1522 AromaticContact CE2-CE2 3.36Å; Y1518-Y1522 HydrophobicContact CE2-CE2 3.36Å; Y1518-Y1522 HydrophobicContact CG-CD2 4.14Å; Y1518-Y1522 AromaticContact CZ-CD2 3.68Å; Y1518-Y1522 AromaticContact CZ-CE2 3.76Å; Y1518-Y1522 WeakPolarHBondContact O-CB 3.32Å; Y1518-Y1522 WeakPolarHBondContact O-CD2 3.5Å; Y1518-Y1522 PolarHBondContact O-N 2.99Å; Y1518-Y1522 VanDerWaalsContact O-N 3.07Å
1519	L	74.4	Confident	66.3	Low	44 Å²	44	116.2 Å²	116.2	23%	0.23	59%	0.585	C	S	.	*	H	α-helix	trans	-70.9	-33	177	-67	171.7	0	0	0	112.2	R1515 A1516 G1523 L1524 M1525	R1515-L1519 HydrophobicContact CG-CD1 3.91Å; R1515-L1519 HydrophobicContact CG-CG 4.37Å; R1515-L1519 WeakPolarHBondContact O-CG 3.46Å; R1515-L1519 PolarHBondContact O-N 3.47Å; A1516-L1519 PolarHBondContact O-N 3.39Å; L1519-G1523 CarbonylContact O-C 3.58Å; L1519-G1523 PolarHBondContact O-N 2.89Å; L1519-L1524 HydrophobicContact CD2-CB 3.82Å; L1519-L1524 PolarHBondContact O-N 3.3Å; L1519-M1525 HydrophobicContact CB-CG 4.03Å; L1519-M1525 PolarHBondContact O-N 2.9Å
1520	E	76.9	Confident	63.9	Low	140 Å²	140	119.2 Å²	119.2	65%	0.654	60%	0.596	S	S	*	*	H	α-helix	trans	-67.8	-49.3	171.5	-176.4	177.6	-145.1	0	0	111.5	A1516 R1517 Y1522 G1523	A1516-E1520 WeakPolarHBondContact O-CB 3.35Å; A1516-E1520 PolarHBondContact O-N 2.8Å; R1517-E1520 PolarHBondContact O-N 2.94Å; E1520-Y1522 PolarHBondContact O-N 3.41Å; E1520-G1523 PolarHBondContact O-N 3.21Å
1521	E	76.3	Confident	61.2	Low	149 Å²	149	121.5 Å²	121.5	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-62.4	-36.2	-179	-178.5	173	-159	0	0	113	R1517	R1517-E1521 WeakPolarHBondContact O-CB 3.44Å; R1517-E1521 PolarHBondContact O-N 2.92Å
1522	Y	70.1	Confident	58.8	Low	138 Å²	138	124.5 Å²	124.5	54%	0.541	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.3	3.5	178.6	-75.3	-86.2	0	0	0	114.3	Y1518 E1520 L1524	Y1518-Y1522 HydrophobicContact CD1-CD2 4.2Å; Y1518-Y1522 AromaticContact CD2-CD2 3.86Å; Y1518-Y1522 HydrophobicContact CD2-CD2 3.86Å; Y1518-Y1522 AromaticContact CD2-CE2 3.79Å; Y1518-Y1522 HydrophobicContact CD2-CE2 3.79Å; Y1518-Y1522 AromaticContact CE1-CD2 3.97Å; Y1518-Y1522 HydrophobicContact CE1-CD2 3.97Å; Y1518-Y1522 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1522 HydrophobicContact CE1-CG 4.45Å; Y1518-Y1522 AromaticContact CE2-CD2 3.63Å; Y1518-Y1522 HydrophobicContact CE2-CD2 3.63Å; Y1518-Y1522 AromaticContact CE2-CE2 3.36Å; Y1518-Y1522 HydrophobicContact CE2-CE2 3.36Å; Y1518-Y1522 HydrophobicContact CG-CD2 4.14Å; Y1518-Y1522 AromaticContact CZ-CD2 3.68Å; Y1518-Y1522 AromaticContact CZ-CE2 3.76Å; Y1518-Y1522 WeakPolarHBondContact O-CB 3.32Å; Y1518-Y1522 WeakPolarHBondContact O-CD2 3.5Å; Y1518-Y1522 PolarHBondContact O-N 2.99Å; Y1518-Y1522 VanDerWaalsContact O-N 3.07Å; E1520-Y1522 PolarHBondContact O-N 3.41Å; Y1522-L1524 PolarHBondContact O-N 3.25Å
1523	G	60.1	Low	56.4	Low	66 Å²	66	127.1 Å²	127.1	68%	0.68	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.6	20.1	178.9	0	0	0	0	0	114.8	L1519 E1520 M1525	L1519-G1523 CarbonylContact O-C 3.58Å; L1519-G1523 PolarHBondContact O-N 2.89Å; E1520-G1523 PolarHBondContact O-N 3.21Å; G1523-M1525 VanDerWaalsContact C-N 3.32Å
1524	L	54.5	Low	54	Low	83 Å²	83	126.7 Å²	126.7	44%	0.435	63%	0.629	S	S	.	*			trans	-94.5	20.7	-177.4	-69.1	170.7	0	0	0	112.9	L1519 Y1522 N1526	L1519-L1524 HydrophobicContact CD2-CB 3.82Å; L1519-L1524 PolarHBondContact O-N 3.3Å; Y1522-L1524 PolarHBondContact O-N 3.25Å; L1524-N1526 VanDerWaalsContact C-N 3.26Å; L1524-N1526 PolarHBondContact O-N 3.45Å
1525	M	47	Very low	51.7	Low	134 Å²	134	128.8 Å²	128.8	66%	0.66	64%	0.635	S	S	*	*			trans	-74.8	78.6	166.7	-77.5	-159.1	67.4	0	0	111.1	L1519 G1523	L1519-M1525 HydrophobicContact CB-CG 4.03Å; L1519-M1525 PolarHBondContact O-N 2.9Å; G1523-M1525 VanDerWaalsContact C-N 3.32Å
1526	N	42.4	Very low	49.1	Very low	136 Å²	136	125.8 Å²	125.8	73%	0.727	63%	0.632	S	S	*	*			trans	-58.7	146.8	155.7	-69.9	-21	0	0	0	109.2	L1524	L1524-N1526 VanDerWaalsContact C-N 3.26Å; L1524-N1526 PolarHBondContact O-N 3.45Å
1527	E	35.2	Very low	47	Very low	171 Å²	171	128 Å²	128	80%	0.799	65%	0.645	S	S	*	*			trans	-54.3	147	-179.5	-75	-163.8	139.7	0	0	111.8	D1529	E1527-D1529 PolarHBondContact O-N 2.75Å
1528	P	36.6	Very low	44.5	Very low	114 Å²	114	123.4 Å²	123.4	74%	0.74	66%	0.656	S	S	*	*			trans	-67	95.6	-173.6	27	-35.1	0	0	0	111.8	H1530	P1528-H1530 PolarHBondContact O-N 3.16Å; P1528-H1530 VanDerWaalsContact O-N 3.13Å
1529	D	28.2	Very low	42.3	Very low	121 Å²	121	121.8 Å²	121.8	65%	0.647	66%	0.663	S	S	*	*			trans	-57	112.1	176.6	-153.4	27.1	0	0	0	109.8	E1527 K1531	E1527-D1529 PolarHBondContact O-N 2.75Å; D1529-K1531 PolarHBondContact O-N 3.44Å; D1529-K1531 WeakPolarHBondContact OD2-CE 3.21Å; D1529-K1531 IonicContact OD2-NZ 3.82Å; D1529-K1531 PolarHBondContact OD2-NZ 2.87Å
1530	H	28.9	Very low	39.9	Very low	171 Å²	171	128.1 Å²	128.1	79%	0.792	69%	0.691	S	S	*	*			trans	-71.9	67.7	-172.3	-101.5	-61.8	0	0	0	112.6	P1528	P1528-H1530 PolarHBondContact O-N 3.16Å; P1528-H1530 VanDerWaalsContact O-N 3.13Å
1531	K	26.2	Very low	37.5	Very low	161 Å²	161	128.6 Å²	128.6	70%	0.7	70%	0.697	S	S	*	*			trans	-100.3	84.1	168.3	-75.1	167.6	-178.3	140.5	0	109.1	D1529 Y1533	D1529-K1531 PolarHBondContact O-N 3.44Å; D1529-K1531 WeakPolarHBondContact OD2-CE 3.21Å; D1529-K1531 IonicContact OD2-NZ 3.82Å; D1529-K1531 PolarHBondContact OD2-NZ 2.87Å; K1531-Y1533 PolarHBondContact O-N 2.84Å
1532	T	28.4	Very low	35	Very low	117 Å²	117	126.9 Å²	126.9	72%	0.718	70%	0.697	S	S	*	*			trans	-58.7	106.5	176.1	29.9	0	0	0	0	111.5	V1534	T1532-V1534 PolarHBondContact O-N 3.22Å
1533	Y	25.4	Very low	33	Very low	200 Å²	200	129 Å²	129	78%	0.784	71%	0.714	S	S	*	*			trans	-66.8	106.2	151.9	-94.8	-99.5	0	0	0	107.7	K1531 D1535	K1531-Y1533 PolarHBondContact O-N 2.84Å; Y1533-D1535 PolarHBondContact O-N 2.83Å
1534	V	30.6	Very low	31.5	Very low	104 Å²	104	134.9 Å²	134.9	63%	0.63	72%	0.721	S	S	*	*			trans	-83.9	101.7	159.4	-179.7	0	0	0	0	105.9	T1532	T1532-V1534 PolarHBondContact O-N 3.22Å
1535	D	30.8	Very low	30.2	Very low	115 Å²	115	135.3 Å²	135.3	62%	0.615	73%	0.731	S	S	*	*			trans	-83.6	109.1	160.4	-93.2	-36.7	0	0	0	107.2	Y1533 S1537	Y1533-D1535 PolarHBondContact O-N 2.83Å; D1535-S1537 PolarHBondContact O-N 2.74Å; D1535-S1537 VanDerWaalsContact O-N 3.1Å
1536	D	27.8	Very low	29.4	Very low	112 Å²	112	135 Å²	135	60%	0.599	73%	0.731	S	S	*	*			trans	-73.1	96.7	172.7	-82.6	-56.8	0	0	0	110.1	L1194	L1194-D1536 HydrophobicContact CD1-CB 4.11Å; L1194-D1536 WeakPolarHBondContact CD1-OD2 3.27Å
1537	S	33.5	Very low	29.2	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	74%	0.739	S	S	*	*			trans	-139	85.2	164.7	49.2	0	0	0	0	110.7	D1535 S1539	D1535-S1537 PolarHBondContact O-N 2.74Å; D1535-S1537 VanDerWaalsContact O-N 3.1Å; S1537-S1539 PolarHBondContact O-N 3.09Å
1538	G	24.6	Very low	29.1	Very low	92 Å²	92	134.4 Å²	134.4	95%	0.948	73%	0.734	S	S	*	*			trans	-69.5	97.3	174.9	0	0	0	0	0	112.1
1539	S	30.3	Very low	29.1	Very low	93 Å²	93	134.1 Å²	134.1	65%	0.65	73%	0.732	S	S	*	*			trans	-140.8	87.1	168.5	56.9	0	0	0	0	110.5	S1537 I1541	S1537-S1539 PolarHBondContact O-N 3.09Å; S1539-I1541 PolarHBondContact O-N 3.08Å
1540	E	23.9	Very low	29.1	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	74%	0.744	S	S	*	*			trans	-73.5	102.6	177.6	-176.7	174.5	-146.9	0	0	110.4	T1542	E1540-T1542 HydrophobicContact CG-CG2 4.24Å
1541	I	26.2	Very low	29.2	Very low	150 Å²	150	133.3 Å²	133.3	77%	0.769	74%	0.739	S	S	*	*			trans	-106.7	100.9	170.7	-59.4	179.4	0	0	0	108.1	S1539	S1539-I1541 PolarHBondContact O-N 3.08Å
1542	T	25.1	Very low	29.3	Very low	113 Å²	113	131.4 Å²	131.4	69%	0.693	74%	0.742	S	S	*	*			trans	-96.8	123.9	171.5	45.4	0	0	0	0	110.7	E1540	E1540-T1542 HydrophobicContact CG-CG2 4.24Å
1543	M	27.5	Very low	29.3	Very low	184 Å²	184	133.8 Å²	133.8	91%	0.906	75%	0.749	S	S	*	*			trans	-122.8	142.5	155.4	-73.1	-150.3	173.3	0	0	109.2
1544	K	28.8	Very low	29.5	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	74%	0.744	S	S	*	*			trans	-87.5	134.3	-171.4	-63.1	-175	-179.7	-178.4	0	109.2
1545	S	27.3	Very low	29.3	Very low	92 Å²	92	131.8 Å²	131.8	64%	0.643	76%	0.756	S	S	*	*				66.9	151.8	92	95.9	0	0	0	0	113.2
1546	D	30.4	Very low	29	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	75%	0.754	S	S	*	*			cis	-134.4	161.5	18.5	-63.9	-62.1	0	0	0	112.7
1547	D	37.9	Very low	29.1	Very low	166 Å²	166	132.9 Å²	132.9	89%	0.888	76%	0.76	S	S	*	*				-165.8	163.7	114.3	-116.2	-31.2	0	0	0	112.8
1548	N	32.9	Very low	28.8	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	77%	0.768	S	S	*	*			trans	-118.5	178.1	-153.6	-90.7	-69.2	0	0	0	115.1
1549	P	37.2	Very low	29	Very low	107 Å²	107	141.4 Å²	141.4	70%	0.695	76%	0.761	S	S	*	*			cis	-137.4	169.4	-32.8	36.1	-19.6	0	0	0	114.9
1550	I	28.3	Very low	28.8	Very low	177 Å²	177	142 Å²	142	91%	0.908	76%	0.764	S	S	*	*			trans	-157.9	157.8	136.6	-107.6	163.3	0	0	0	109.6
1551	S	29.4	Very low	28.9	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	77%	0.77	S	S	*	*			trans	-86.9	134.7	-153	56.6	0	0	0	0	118.3
1552	T	28.5	Very low	29	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	77%	0.772	S	S	*	*			trans	57	120.8	139.4	60	0	0	0	0	121.5
1553	L	28.2	Very low	29.1	Very low	167 Å²	167	143.8 Å²	143.8	87%	0.874	78%	0.78	S	S	*	*				-160.9	164.2	106.5	-132.5	80	0	0	0	113.9
1554	D	30.4	Very low	29.1	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	76%	0.764	S	S	*	*			trans	-51.1	148.1	-168	-87.6	-66	0	0	0	120.5	S1556	D1554-S1556 PolarHBondContact O-N 2.97Å; D1554-S1556 VanDerWaalsContact O-N 3.14Å
1555	P	26.1	Very low	29.1	Very low	134 Å²	134	134.8 Å²	134.8	87%	0.87	76%	0.756	S	S	*	*			trans	-84.7	70.7	169.9	37	-35	0	0	0	112.5
1556	S	24.9	Very low	29.4	Very low	84 Å²	84	137.8 Å²	137.8	59%	0.587	76%	0.76	S	S	*	*			trans	-137.9	46.3	-178.6	61.1	0	0	0	0	115.8	D1554	D1554-S1556 PolarHBondContact O-N 2.97Å; D1554-S1556 VanDerWaalsContact O-N 3.14Å
1557	K	30.5	Very low	29.3	Very low	165 Å²	165	138.7 Å²	138.7	72%	0.717	76%	0.764	S	S	*	*			trans	-143.6	113.5	160.5	-101.2	103.3	-159.6	163.1	0	113.3	Y1559	K1557-Y1559 HydrophobicContact CB-CD2 4.39Å; K1557-Y1559 HydrophobicContact CB-CE2 4.08Å; K1557-Y1559 PolarHBondContact O-N 2.76Å
1558	I	25.9	Very low	28.9	Very low	165 Å²	165	136 Å²	136	85%	0.846	75%	0.75	S	S	*	*			trans	-71.1	119	159.4	-65.2	166	0	0	0	107.4	C1560	I1558-C1560 PolarHBondContact O-N 3.23Å
1559	Y	28.9	Very low	28.8	Very low	204 Å²	204	136.5 Å²	136.5	80%	0.8	75%	0.748	S	S	*	*			trans	-86.3	99.9	176.4	-86.3	-88.6	0	0	0	111.3	K1557	K1557-Y1559 HydrophobicContact CB-CD2 4.39Å; K1557-Y1559 HydrophobicContact CB-CE2 4.08Å; K1557-Y1559 PolarHBondContact O-N 2.76Å
1560	C	26.2	Very low	28.5	Very low	106 Å²	106	137.1 Å²	137.1	72%	0.716	75%	0.749	S	S	*	*			trans	-61.6	134.1	158.2	-70.8	0	0	0	0	109.7	I1558 T1562	I1558-C1560 PolarHBondContact O-N 3.23Å; C1560-T1562 PolarHBondContact O-N 2.64Å
1561	L	25.9	Very low	28.6	Very low	182 Å²	182	134 Å²	134	95%	0.953	73%	0.734	S	S	*	*			trans	-67.6	99.9	176.8	-76.6	164.2	0	0	0	111.4
1562	T	28.9	Very low	28.4	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-80.7	143.4	162.5	47.7	0	0	0	0	110.9	C1560	C1560-T1562 PolarHBondContact O-N 2.64Å
1563	L	26.7	Very low	28.4	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-62.2	157.2	178.7	-80.3	128.8	0	0	0	113.6
1564	P	28.8	Very low	28.4	Very low	91 Å²	91	132 Å²	132	59%	0.591	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.1	156.1	-168.7	-24.6	36.1	0	0	0	116.2	Q1566	P1564-Q1566 PolarHBondContact O-N 3.18Å
1565	S	28.6	Very low	28.3	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-79.2	-4.9	-166.8	50.9	0	0	0	0	116.2	L1567 N1568	S1565-L1567 PolarHBondContact O-N 3.31Å; S1565-N1568 PolarHBondContact O-N 2.96Å
1566	Q	31.9	Very low	28.4	Very low	155 Å²	155	137.6 Å²	137.6	72%	0.724	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-73.3	-20.2	-169.9	-73.9	154.8	-42.5	0	0	114.6	P1564 N1568	P1564-Q1566 PolarHBondContact O-N 3.18Å; Q1566-N1568 PolarHBondContact O-N 3.45Å
1567	L	29.2	Very low	28.7	Very low	145 Å²	145	139.9 Å²	139.9	76%	0.759	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-74.6	-2.6	176.1	-113.6	161.3	0	0	0	114.3	S1565	S1565-L1567 PolarHBondContact O-N 3.31Å
1568	N	30.5	Very low	29	Very low	110 Å²	110	135.7 Å²	135.7	59%	0.588	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-89.4	10.1	-176.2	-98.7	-58.9	0	0	0	115.5	S1565 Q1566 K1572	S1565-N1568 PolarHBondContact O-N 2.96Å; Q1566-N1568 PolarHBondContact O-N 3.45Å; N1568-K1572 WeakPolarHBondContact O-CE 3.44Å
1569	H	29.7	Very low	29.2	Very low	139 Å²	139	133.7 Å²	133.7	64%	0.644	70%	0.702	S	S	*	*	S	Bend	trans	-103.8	-15.1	-175.2	-92.5	-114.7	0	0	0	116	K1572	H1569-K1572 PolarHBondContact CD2-NZ 3.01Å; H1569-K1572 PolarHBondContact CE1-NZ 3.04Å; H1569-K1572 PolarHBondContact NE2-NZ 3.22Å
1570	T	31.7	Very low	29.6	Very low	120 Å²	120	130.4 Å²	130.4	74%	0.736	70%	0.699	S	S	*	*	S	Bend	trans	-88	-12.7	174	43.9	0	0	0	0	113.9
1571	I	29.3	Very low	30.2	Very low	112 Å²	112	132.8 Å²	132.8	57%	0.574	70%	0.697	S	S	*	*	S	Bend	trans	-106	41.1	179	-38.8	-177.1	0	0	0	111.4
1572	K	26.5	Very low	30.6	Very low	135 Å²	135	129.2 Å²	129.2	59%	0.587	67%	0.674	S	S	*	*			trans	-112.2	37.1	176.8	-74.6	-177.6	177.2	174.7	0	114.7	N1568 H1569	N1568-K1572 WeakPolarHBondContact O-CE 3.44Å; H1569-K1572 PolarHBondContact CD2-NZ 3.01Å; H1569-K1572 PolarHBondContact CE1-NZ 3.04Å; H1569-K1572 PolarHBondContact NE2-NZ 3.22Å
1573	P	27.9	Very low	30.9	Very low	110 Å²	110	129.1 Å²	129.1	71%	0.714	66%	0.659	S	S	*	*	S	Bend	trans	-131.4	13.5	147.8	38.6	-28.4	0	0	0	115.5
1574	I	28.9	Very low	31.8	Very low	99 Å²	99	127.1 Å²	127.1	51%	0.508	65%	0.649	S	S	.	*	S	Bend	trans	-117.3	57.5	179.4	-40.9	-177.5	0	0	0	111.7	F1579	I1574-F1579 HydrophobicContact CG2-CE2 3.91Å; I1574-F1579 HydrophobicContact CG2-CZ 3.84Å
1575	K	27.4	Very low	32.4	Very low	200 Å²	200	129.1 Å²	129.1	87%	0.87	65%	0.648	S	S	*	*	S	Bend	trans	-137	11.1	174.5	-123	170	-174.4	170.5	0	115.3
1576	L	28.7	Very low	32.7	Very low	180 Å²	180	129.5 Å²	129.5	94%	0.942	64%	0.638	S	S	*	*	S	Bend	trans	-137.6	21.5	178.4	-139.5	84.9	0	0	0	114.1
1577	M	31.4	Very low	33.1	Very low	132 Å²	132	125.9 Å²	125.9	65%	0.65	62%	0.624	S	S	*	*	S	Bend	trans	-115.9	128.3	175.4	-166.1	90.2	82.6	0	0	108.7	F1579	M1577-F1579 PolarHBondContact O-N 3.22Å
1578	S	35.5	Very low	33.9	Very low	77 Å²	77	123.7 Å²	123.7	54%	0.538	61%	0.61	S	S	.	*			trans	-75.2	108.9	-178.7	48.7	0	0	0	0	111.1	N1580 K1581 F1582	S1578-N1580 VanDerWaalsContact C-N 3.3Å; S1578-N1580 PolarHBondContact O-N 3.07Å; S1578-K1581 WeakPolarHBondContact O-CA 3.46Å; S1578-K1581 WeakPolarHBondContact O-CB 3.44Å; S1578-K1581 PolarHBondContact O-N 3.43Å; S1578-K1581 WeakPolarHBondContact OG-CB 3.45Å; S1578-F1582 PolarHBondContact O-N 2.98Å; S1578-F1582 VanDerWaalsContact O-N 3.11Å
1579	F	30.9	Very low	34.3	Very low	123 Å²	123	123.8 Å²	123.8	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-54.6	-39	-171.7	-96	-94.1	0	0	0	113.8	I1574 M1577 K1581 F1582 Y1583	I1574-F1579 HydrophobicContact CG2-CE2 3.91Å; I1574-F1579 HydrophobicContact CG2-CZ 3.84Å; M1577-F1579 PolarHBondContact O-N 3.22Å; F1579-K1581 VanDerWaalsContact C-N 3.26Å; F1579-K1581 PolarHBondContact O-N 3.3Å; F1579-F1582 CarbonylContact O-C 3.6Å; F1579-F1582 WeakPolarHBondContact O-CB 3.47Å; F1579-F1582 PolarHBondContact O-N 3.02Å; F1579-F1582 VanDerWaalsContact O-N 3.13Å; F1579-Y1583 PolarHBondContact O-N 3.49Å
1580	N	36.8	Very low	34.5	Very low	136 Å²	136	122.2 Å²	122.2	73%	0.727	60%	0.6	S	S	*	*	H	α-helix	trans	-60.8	-33.8	175.6	-67.9	5.7	0	0	0	113	S1578 L1584	S1578-N1580 VanDerWaalsContact C-N 3.3Å; S1578-N1580 PolarHBondContact O-N 3.07Å; N1580-L1584 WeakPolarHBondContact O-CB 3.48Å; N1580-L1584 PolarHBondContact O-N 2.92Å
1581	K	40.3	Very low	34.9	Very low	156 Å²	156	121.6 Å²	121.6	68%	0.678	59%	0.591	S	S	*	*	H	α-helix	trans	-78.8	-28.3	178	-154.7	171.9	-171.5	175.7	0	111.7	S1578 F1579 K1585	S1578-K1581 WeakPolarHBondContact O-CA 3.46Å; S1578-K1581 WeakPolarHBondContact O-CB 3.44Å; S1578-K1581 PolarHBondContact O-N 3.43Å; S1578-K1581 WeakPolarHBondContact OG-CB 3.45Å; F1579-K1581 VanDerWaalsContact C-N 3.26Å; F1579-K1581 PolarHBondContact O-N 3.3Å; K1581-K1585 VanDerWaalsContact O-CB 3.29Å; K1581-K1585 WeakPolarHBondContact O-CB 3.4Å; K1581-K1585 PolarHBondContact O-N 3.46Å
1582	F	33.6	Very low	35.6	Very low	107 Å²	107	122 Å²	122	47%	0.469	59%	0.589	S	S	.	*	H	α-helix	trans	-70.3	-45.6	167.6	-175.3	-97.5	0	0	0	111.5	S1578 F1579 K1585 F1586	S1578-F1582 PolarHBondContact O-N 2.98Å; S1578-F1582 VanDerWaalsContact O-N 3.11Å; F1579-F1582 CarbonylContact O-C 3.6Å; F1579-F1582 WeakPolarHBondContact O-CB 3.47Å; F1579-F1582 PolarHBondContact O-N 3.02Å; F1579-F1582 VanDerWaalsContact O-N 3.13Å; F1582-K1585 PolarHBondContact O-N 3.48Å; F1582-F1586 HydrophobicContact CE1-CB 4.5Å; F1582-F1586 HydrophobicContact CZ-CD2 4.45Å; F1582-F1586 WeakPolarHBondContact O-CB 3.49Å; F1582-F1586 PolarHBondContact O-N 2.81Å
1583	Y	35.9	Very low	36.1	Very low	127 Å²	127	120.4 Å²	120.4	50%	0.498	58%	0.583	S	S	.	*	H	α-helix	trans	-61.2	-46.7	178.4	-125.7	-86.2	0	0	0	112.1	F1579 K1585 F1586 N1587	F1579-Y1583 PolarHBondContact O-N 3.49Å; Y1583-K1585 PolarHBondContact O-N 3.05Å; Y1583-F1586 PolarHBondContact O-N 3.43Å; Y1583-N1587 WeakPolarHBondContact O-CB 3.32Å; Y1583-N1587 PolarHBondContact O-N 3.13Å
1584	L	44.8	Very low	36.5	Very low	122 Å²	122	119.9 Å²	119.9	64%	0.639	57%	0.574	S	S	*	*	H	α-helix	trans	-58.1	-48.1	173.5	-85.6	165	0	0	0	111.4	N1580 N1587 E1588	N1580-L1584 WeakPolarHBondContact O-CB 3.48Å; N1580-L1584 PolarHBondContact O-N 2.92Å; L1584-N1587 PolarHBondContact O-N 3.41Å; L1584-E1588 PolarHBondContact O-N 2.82Å
1585	K	40.5	Very low	37	Very low	133 Å²	133	120.5 Å²	120.5	58%	0.578	57%	0.574	S	S	*	*	H	α-helix	trans	-73.8	-28.1	-176.8	-162.2	162.4	-171.3	173.8	0	113.6	K1581 F1582 Y1583 M1589	K1581-K1585 VanDerWaalsContact O-CB 3.29Å; K1581-K1585 WeakPolarHBondContact O-CB 3.4Å; K1581-K1585 PolarHBondContact O-N 3.46Å; F1582-K1585 PolarHBondContact O-N 3.48Å; Y1583-K1585 PolarHBondContact O-N 3.05Å; K1585-M1589 WeakPolarHBondContact O-CB 3.28Å; K1585-M1589 VanDerWaalsContact O-CG 3.26Å; K1585-M1589 WeakPolarHBondContact O-CG 3.35Å; K1585-M1589 PolarHBondContact O-N 3.34Å
1586	F	35.9	Very low	37.5	Very low	101 Å²	101	116.8 Å²	116.8	44%	0.443	56%	0.56	S	S	.	*	H	α-helix	trans	-70.6	-40.1	171.6	-173.7	-99.5	0	0	0	111	F1582 Y1583 M1589 K1590	F1582-F1586 HydrophobicContact CE1-CB 4.5Å; F1582-F1586 HydrophobicContact CZ-CD2 4.45Å; F1582-F1586 WeakPolarHBondContact O-CB 3.49Å; F1582-F1586 PolarHBondContact O-N 2.81Å; Y1583-F1586 PolarHBondContact O-N 3.43Å; F1586-M1589 PolarHBondContact O-N 2.99Å; F1586-K1590 HydrophobicContact CE1-CD 4.36Å; F1586-K1590 PolarHBondContact O-N 2.92Å
1587	N	39.9	Very low	37.9	Very low	79 Å²	79	112.8 Å²	112.8	42%	0.422	54%	0.539	S	S	.	.	H	α-helix	trans	-67.1	-40.5	171.7	-75	-6.6	0	0	0	111.9	Y1583 L1584 M1589 K1590 L1591	Y1583-N1587 WeakPolarHBondContact O-CB 3.32Å; Y1583-N1587 PolarHBondContact O-N 3.13Å; L1584-N1587 PolarHBondContact O-N 3.41Å; N1587-M1589 VanDerWaalsContact C-N 3.33Å; N1587-M1589 PolarHBondContact O-N 3.2Å; N1587-K1590 PolarHBondContact O-N 3.13Å; N1587-L1591 VanDerWaalsContact O-CB 3.27Å; N1587-L1591 WeakPolarHBondContact O-CB 3.27Å; N1587-L1591 WeakPolarHBondContact O-CG 3.39Å; N1587-L1591 PolarHBondContact O-N 3.28Å
1588	E	45.4	Very low	37.9	Very low	100 Å²	100	113.3 Å²	113.3	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-58.5	-43.4	169.3	-77.2	-169.7	104.2	0	0	111.9	L1584 L1591 K1592	L1584-E1588 PolarHBondContact O-N 2.82Å; E1588-L1591 PolarHBondContact O-N 3.47Å; E1588-K1592 WeakPolarHBondContact O-CB 3.36Å; E1588-K1592 WeakPolarHBondContact O-CG 3.46Å; E1588-K1592 PolarHBondContact O-N 3.01Å
1589	M	39.1	Very low	37.9	Very low	111 Å²	111	115.1 Å²	115.1	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-41.9	179.8	-78.6	178.6	63.8	0	0	112.2	K1585 F1586 N1587 K1592 Q1593	K1585-M1589 WeakPolarHBondContact O-CB 3.28Å; K1585-M1589 VanDerWaalsContact O-CG 3.26Å; K1585-M1589 WeakPolarHBondContact O-CG 3.35Å; K1585-M1589 PolarHBondContact O-N 3.34Å; F1586-M1589 PolarHBondContact O-N 2.99Å; N1587-M1589 VanDerWaalsContact C-N 3.33Å; N1587-M1589 PolarHBondContact O-N 3.2Å; M1589-K1592 PolarHBondContact O-N 2.91Å; M1589-Q1593 WeakPolarHBondContact O-CB 3.25Å; M1589-Q1593 WeakPolarHBondContact O-CG 3.48Å; M1589-Q1593 PolarHBondContact O-N 3.35Å
1590	K	35	Very low	38.1	Very low	106 Å²	106	115.8 Å²	115.8	46%	0.461	55%	0.55	S	S	.	.	H	α-helix	trans	-68.1	-38.1	173	-91.3	-154.2	170.1	-168.3	0	112.3	F1586 N1587 Q1593 I1594	F1586-K1590 HydrophobicContact CE1-CD 4.36Å; F1586-K1590 PolarHBondContact O-N 2.92Å; N1587-K1590 PolarHBondContact O-N 3.13Å; K1590-Q1593 PolarHBondContact O-N 2.92Å; K1590-I1594 WeakPolarHBondContact O-CB 3.21Å; K1590-I1594 WeakPolarHBondContact O-CD1 3.38Å; K1590-I1594 WeakPolarHBondContact O-CG1 3.24Å; K1590-I1594 PolarHBondContact O-N 2.9Å
1591	L	40.2	Very low	37.8	Very low	108 Å²	108	117.3 Å²	117.3	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-61.8	-45.2	172.8	-80.2	165.2	0	0	0	111.2	N1587 E1588 Q1593 I1594 E1595	N1587-L1591 VanDerWaalsContact O-CB 3.27Å; N1587-L1591 WeakPolarHBondContact O-CB 3.27Å; N1587-L1591 WeakPolarHBondContact O-CG 3.39Å; N1587-L1591 PolarHBondContact O-N 3.28Å; E1588-L1591 PolarHBondContact O-N 3.47Å; L1591-Q1593 PolarHBondContact O-N 3.34Å; L1591-I1594 CarbonylContact O-C 3.59Å; L1591-I1594 PolarHBondContact O-N 3.48Å; L1591-E1595 WeakPolarHBondContact O-CG 3.28Å; L1591-E1595 PolarHBondContact O-N 2.88Å
1592	K	42.6	Very low	37.2	Very low	119 Å²	119	116.9 Å²	116.9	52%	0.517	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-34.3	175.4	-77.7	176.3	175.6	168.1	0	113.4	E1588 M1589 Q1596	E1588-K1592 WeakPolarHBondContact O-CB 3.36Å; E1588-K1592 WeakPolarHBondContact O-CG 3.46Å; E1588-K1592 PolarHBondContact O-N 3.01Å; M1589-K1592 PolarHBondContact O-N 2.91Å; K1592-Q1596 WeakPolarHBondContact O-CB 3.27Å; K1592-Q1596 VanDerWaalsContact O-CG 3.25Å; K1592-Q1596 WeakPolarHBondContact O-CG 3.35Å; K1592-Q1596 PolarHBondContact O-N 3.14Å
1593	Q	37.1	Very low	36.9	Very low	102 Å²	102	117.3 Å²	117.3	48%	0.477	56%	0.559	S	S	.	*	H	α-helix	trans	-69.6	-37.5	171.3	-77	179.5	-22.4	0	0	112	M1589 K1590 L1591 Q1596 I1597	M1589-Q1593 WeakPolarHBondContact O-CB 3.25Å; M1589-Q1593 WeakPolarHBondContact O-CG 3.48Å; M1589-Q1593 PolarHBondContact O-N 3.35Å; K1590-Q1593 PolarHBondContact O-N 2.92Å; L1591-Q1593 PolarHBondContact O-N 3.34Å; Q1593-Q1596 PolarHBondContact O-N 2.73Å; Q1593-I1597 WeakPolarHBondContact O-CB 3.36Å; Q1593-I1597 VanDerWaalsContact O-CG1 3.27Å; Q1593-I1597 WeakPolarHBondContact O-CG1 3.28Å; Q1593-I1597 PolarHBondContact O-N 2.84Å
1594	I	37	Very low	36.5	Very low	99 Å²	99	120.5 Å²	120.5	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-66.6	-39.2	173.9	-71.5	163.6	0	0	0	110.5	K1590 L1591 I1597 K1598	K1590-I1594 WeakPolarHBondContact O-CB 3.21Å; K1590-I1594 WeakPolarHBondContact O-CD1 3.38Å; K1590-I1594 WeakPolarHBondContact O-CG1 3.24Å; K1590-I1594 PolarHBondContact O-N 2.9Å; L1591-I1594 CarbonylContact O-C 3.59Å; L1591-I1594 PolarHBondContact O-N 3.48Å; I1594-I1597 PolarHBondContact O-N 2.69Å; I1594-K1598 WeakPolarHBondContact O-CB 3.39Å; I1594-K1598 PolarHBondContact O-N 3.04Å
1595	E	39.1	Very low	35.6	Very low	112 Å²	112	121.3 Å²	121.3	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-66.8	-40.5	171.5	-73.5	-175.9	137.8	0	0	112.5	L1591 I1597 K1598 N1599	L1591-E1595 WeakPolarHBondContact O-CG 3.28Å; L1591-E1595 PolarHBondContact O-N 2.88Å; E1595-I1597 VanDerWaalsContact C-N 3.33Å; E1595-I1597 PolarHBondContact O-N 2.79Å; E1595-K1598 WeakPolarHBondContact O-CB 3.48Å; E1595-K1598 PolarHBondContact O-N 3.39Å; E1595-K1598 VanDerWaalsContact O-N 3.17Å; E1595-N1599 WeakPolarHBondContact O-CB 3.36Å; E1595-N1599 PolarHBondContact O-N 3.48Å; E1595-N1599 PolarHBondContact O-ND2 3.18Å; E1595-N1599 PolarHBondContact O-OD1 3.49Å
1596	Q	38	Very low	34.9	Very low	122 Å²	122	121.1 Å²	121.1	57%	0.57	59%	0.586	S	S	*	*	H	α-helix	trans	-61.2	-41.7	172.7	-79.4	174.1	-22.8	0	0	111.6	K1592 Q1593 N1599 L1600	K1592-Q1596 WeakPolarHBondContact O-CB 3.27Å; K1592-Q1596 VanDerWaalsContact O-CG 3.25Å; K1592-Q1596 WeakPolarHBondContact O-CG 3.35Å; K1592-Q1596 PolarHBondContact O-N 3.14Å; Q1593-Q1596 PolarHBondContact O-N 2.73Å; Q1596-N1599 PolarHBondContact O-N 2.93Å; Q1596-L1600 WeakPolarHBondContact O-CB 3.33Å; Q1596-L1600 PolarHBondContact O-N 3.43Å
1597	I	36.4	Very low	34.5	Very low	97 Å²	97	122 Å²	122	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-65.1	-41.8	172.8	-69.4	164.9	0	0	0	110.4	Q1593 I1594 E1595 N1599 L1600 F1601	Q1593-I1597 WeakPolarHBondContact O-CB 3.36Å; Q1593-I1597 VanDerWaalsContact O-CG1 3.27Å; Q1593-I1597 WeakPolarHBondContact O-CG1 3.28Å; Q1593-I1597 PolarHBondContact O-N 2.84Å; I1594-I1597 PolarHBondContact O-N 2.69Å; E1595-I1597 VanDerWaalsContact C-N 3.33Å; E1595-I1597 PolarHBondContact O-N 2.79Å; I1597-N1599 VanDerWaalsContact C-N 3.31Å; I1597-N1599 PolarHBondContact O-N 2.92Å; I1597-L1600 PolarHBondContact O-N 2.84Å; I1597-F1601 HydrophobicContact CG2-CD2 4.05Å; I1597-F1601 HydrophobicContact CG2-CE2 4.27Å; I1597-F1601 WeakPolarHBondContact O-CD2 3.03Å; I1597-F1601 PolarHBondContact O-N 2.83Å; I1597-F1601 VanDerWaalsContact O-N 3.09Å
1598	K	32.3	Very low	33.8	Very low	143 Å²	143	128 Å²	128	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-57.4	-43.9	175.1	-139.4	175.2	-175.6	-175.9	0	111.5	I1594 E1595 F1601 Y1602	I1594-K1598 WeakPolarHBondContact O-CB 3.39Å; I1594-K1598 PolarHBondContact O-N 3.04Å; E1595-K1598 WeakPolarHBondContact O-CB 3.48Å; E1595-K1598 PolarHBondContact O-N 3.39Å; E1595-K1598 VanDerWaalsContact O-N 3.17Å; K1598-F1601 CarbonylContact O-C 3.46Å; K1598-F1601 PolarHBondContact O-N 2.87Å; K1598-Y1602 WeakPolarHBondContact O-CB 3.47Å; K1598-Y1602 PolarHBondContact O-N 3.09Å
1599	N	36.2	Very low	32.9	Very low	115 Å²	115	130.1 Å²	130.1	62%	0.615	63%	0.633	S	S	*	*	H	α-helix	trans	-76	-26	179.5	-63.9	-13.2	0	0	0	112.8	E1595 Q1596 I1597 F1601 Y1602	E1595-N1599 WeakPolarHBondContact O-CB 3.36Å; E1595-N1599 PolarHBondContact O-N 3.48Å; E1595-N1599 PolarHBondContact O-ND2 3.18Å; E1595-N1599 PolarHBondContact O-OD1 3.49Å; Q1596-N1599 PolarHBondContact O-N 2.93Å; I1597-N1599 VanDerWaalsContact C-N 3.31Å; I1597-N1599 PolarHBondContact O-N 2.92Å; N1599-F1601 VanDerWaalsContact C-N 3.28Å; N1599-Y1602 CarbonylContact O-C 3.53Å
1600	L	34.1	Very low	32.4	Very low	137 Å²	137	130.4 Å²	130.4	72%	0.717	64%	0.641	S	S	*	*	H	α-helix	trans	-70.9	-21.6	168.9	-90.8	157.2	0	0	0	113.2	Q1596 I1597	Q1596-L1600 WeakPolarHBondContact O-CB 3.33Å; Q1596-L1600 PolarHBondContact O-N 3.43Å; I1597-L1600 PolarHBondContact O-N 2.84Å
1601	F	30.5	Very low	32.1	Very low	168 Å²	168	131.2 Å²	131.2	74%	0.737	66%	0.655	S	S	*	*	S	Bend	trans	-107.7	-0.4	174.5	-74.6	-78.1	0	0	0	114.1	I1597 K1598 N1599	I1597-F1601 HydrophobicContact CG2-CD2 4.05Å; I1597-F1601 HydrophobicContact CG2-CE2 4.27Å; I1597-F1601 WeakPolarHBondContact O-CD2 3.03Å; I1597-F1601 PolarHBondContact O-N 2.83Å; I1597-F1601 VanDerWaalsContact O-N 3.09Å; K1598-F1601 CarbonylContact O-C 3.46Å; K1598-F1601 PolarHBondContact O-N 2.87Å; N1599-F1601 VanDerWaalsContact C-N 3.28Å
1602	Y	26.7	Very low	31.6	Very low	147 Å²	147	131.7 Å²	131.7	58%	0.576	66%	0.662	S	S	*	*			trans	-145	92.2	172.7	-88	-89.3	0	0	0	111.9	K1598 N1599	K1598-Y1602 WeakPolarHBondContact O-CB 3.47Å; K1598-Y1602 PolarHBondContact O-N 3.09Å; N1599-Y1602 CarbonylContact O-C 3.53Å
1603	P	29.1	Very low	31	Very low	116 Å²	116	132 Å²	132	75%	0.753	67%	0.669	S	S	*	*			trans	-77.6	117.1	156	31.1	-29.8	0	0	0	109.2
1604	Y	27.3	Very low	30.5	Very low	194 Å²	194	133.4 Å²	133.4	76%	0.761	68%	0.68	S	S	*	*			trans	-79.1	125.8	-174.6	-112.4	-91.9	0	0	0	113.3
1605	N	24.4	Very low	30.2	Very low	139 Å²	139	135 Å²	135	74%	0.743	69%	0.69	S	S	*	*			trans	4.5	129.6	158.2	-60	-12.4	0	0	0	120.3
1606	T	27.2	Very low	29.7	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	69%	0.694	S	S	*	*			trans	-132.6	110.1	142.8	47	0	0	0	0	111.6
1607	T	27.6	Very low	29.2	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	71%	0.705	S	S	*	*			trans	51.5	143.1	138.1	58.5	0	0	0	0	123.2
1608	Y	24.5	Very low	28.8	Very low	206 Å²	206	136.8 Å²	136.8	81%	0.808	72%	0.717	S	S	*	*			cis	-175.4	169.7	-30.3	-129.4	-76.9	0	0	0	108.6
1609	N	26.8	Very low	28.5	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	72%	0.719	S	S	*	*			trans	83.3	144.2	163.8	-54.6	-27.6	0	0	0	116.7
1610	T	28.9	Very low	28.1	Very low	117 Å²	117	135.8 Å²	135.8	72%	0.718	73%	0.726	S	S	*	*			cis	-134.6	142.1	11.2	44.9	0	0	0	0	114.4
1611	T	29	Very low	27.9	Very low	123 Å²	123	134.2 Å²	134.2	76%	0.755	72%	0.722	S	S	*	*			trans	56.2	146.5	144.9	56.4	0	0	0	0	121.2
1612	T	29.2	Very low	27.8	Very low	118 Å²	118	132.5 Å²	132.5	72%	0.724	72%	0.721	S	S	*	*			cis	-177.2	169.4	-13.4	25.8	0	0	0	0	105.6
1613	N	28.5	Very low	27.9	Very low	125 Å²	125	132 Å²	132	67%	0.668	73%	0.728	S	S	*	*			cis	-157.5	163.6	-2.1	-111.5	-14.5	0	0	0	106.2
1614	N	27.7	Very low	27.8	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	73%	0.725	S	S	*	*				61	131.7	60.5	-59.3	-21.4	0	0	0	113.6
1615	N	29.6	Very low	27.7	Very low	134 Å²	134	128.6 Å²	128.6	72%	0.717	72%	0.721	S	S	*	*			cis	-166.3	175	25.8	-112.3	13.9	0	0	0	109.8
1616	T	29.1	Very low	27.8	Very low	99 Å²	99	127.7 Å²	127.7	61%	0.607	72%	0.72	S	S	*	*			cis	-177.1	142.3	-29.1	29.5	0	0	0	0	111.9
1617	T	27.4	Very low	27.6	Very low	128 Å²	128	127.9 Å²	127.9	79%	0.785	72%	0.716	S	S	*	*			trans	68.3	167.5	157.8	66	0	0	0	0	118.9
1618	N	28.6	Very low	27.4	Very low	140 Å²	140	132 Å²	132	75%	0.749	72%	0.72	S	S	*	*			cis	-159.7	162	16.1	-147.8	-4	0	0	0	115.3
1619	S	26.6	Very low	27.4	Very low	96 Å²	96	127.7 Å²	127.7	67%	0.671	72%	0.715	S	S	*	*			trans	67.9	173.5	162.6	85.8	0	0	0	0	117.4
1620	N	27.1	Very low	27.3	Very low	141 Å²	141	126.2 Å²	126.2	75%	0.754	71%	0.711	S	S	*	*			cis	-175.4	166.4	-25.2	-100.2	13	0	0	0	108.1
1621	T	30.2	Very low	27	Very low	104 Å²	104	129.2 Å²	129.2	64%	0.638	71%	0.711	S	S	*	*			cis	-168.4	157.3	-17.8	26.6	0	0	0	0	111.5
1622	N	29.1	Very low	26.8	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	71%	0.707	S	S	*	*			trans	66.2	112.7	151.4	-62.4	-3.7	0	0	0	124
1623	N	27.7	Very low	26.6	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	70%	0.704	S	S	*	*				56.8	145	120.1	-52.6	-5.9	0	0	0	121.2
1624	N	27	Very low	26.4	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	71%	0.707	S	S	*	*			cis	-163	154.2	5.4	-128.5	-0.2	0	0	0	114.4
1625	T	26.2	Very low	26.3	Very low	109 Å²	109	128.4 Å²	128.4	67%	0.669	71%	0.706	S	S	*	*			trans	58.5	127.5	148.3	51.5	0	0	0	0	125.4
1626	T	25.6	Very low	26.2	Very low	119 Å²	119	128.1 Å²	128.1	73%	0.73	70%	0.703	S	S	*	*			trans	81.9	119.5	137.5	48.7	0	0	0	0	125
1627	N	23.9	Very low	26.1	Very low	132 Å²	132	128.9 Å²	128.9	71%	0.706	71%	0.708	S	S	*	*			trans	85.8	99.6	132.6	-66.1	-0.5	0	0	0	123.5
1628	Y	23.7	Very low	26.2	Very low	207 Å²	207	127.7 Å²	127.7	81%	0.812	70%	0.701	S	S	*	*				75.9	144.9	128.5	-81.3	-77.7	0	0	0	124.1
1629	T	24.4	Very low	26.2	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	70%	0.698	S	S	*	*			trans	83.2	122.2	148.3	36.6	0	0	0	0	123.2
1630	T	23.6	Very low	26.4	Very low	112 Å²	112	128.1 Å²	128.1	69%	0.687	70%	0.695	S	S	*	*			trans	80.2	117.6	137.5	48	0	0	0	0	124
1631	Y	23.5	Very low	26.5	Very low	179 Å²	179	126.8 Å²	126.8	70%	0.702	69%	0.693	S	S	*	*			trans	70.4	121.8	133.6	-72.4	-57.4	0	0	0	123.8
1632	N	24.2	Very low	26.5	Very low	125 Å²	125	127.4 Å²	127.4	67%	0.668	70%	0.696	S	S	*	*				85	114.6	128.2	-75	-5.9	0	0	0	123
1633	T	24	Very low	26.5	Very low	110 Å²	110	126.6 Å²	126.6	68%	0.675	69%	0.692	S	S	*	*				73.4	137.1	128.3	56.8	0	0	0	0	121.9
1634	T	26.1	Very low	26.6	Very low	117 Å²	117	126.1 Å²	126.1	72%	0.718	69%	0.689	S	S	*	*			trans	68.1	142.9	145.9	48.9	0	0	0	0	118.2
1635	N	24.6	Very low	26.8	Very low	130 Å²	130	125.3 Å²	125.3	70%	0.695	69%	0.689	S	S	*	*			cis	-167.6	176.5	-14.3	-125.6	3.2	0	0	0	110.2
1636	I	26.6	Very low	27	Very low	128 Å²	128	124.9 Å²	124.9	66%	0.656	69%	0.687	S	S	*	*			trans	71	101.3	142.8	-74.8	165	0	0	0	118.6
1637	T	27.2	Very low	27.2	Very low	115 Å²	115	125.6 Å²	125.6	71%	0.706	69%	0.686	S	S	*	*				69.4	166.5	129.6	76.8	0	0	0	0	119.8
1638	T	30.7	Very low	27.4	Very low	103 Å²	103	125.5 Å²	125.5	63%	0.632	69%	0.686	S	S	*	*			cis	-158.8	138.8	14	-12.6	0	0	0	0	110.6
1639	N	28	Very low	27.7	Very low	128 Å²	128	121.1 Å²	121.1	68%	0.684	68%	0.68	S	S	*	*			trans	61.8	159.3	133.5	-69.4	37.7	0	0	0	120.3
1640	D	30.4	Very low	27.8	Very low	116 Å²	116	121.2 Å²	121.2	62%	0.62	68%	0.681	S	S	*	*			cis	-162.4	160.3	-2	-122.6	-21.1	0	0	0	114
1641	T	29.6	Very low	28	Very low	114 Å²	114	123.7 Å²	123.7	70%	0.699	69%	0.69	S	S	*	*			trans	63	159.3	144.9	63.4	0	0	0	0	121.2
1642	T	29.4	Very low	28	Very low	116 Å²	116	122.2 Å²	122.2	71%	0.712	69%	0.694	S	S	*	*			cis	-173.4	175.4	-18.5	38.1	0	0	0	0	106.8
1643	N	30.7	Very low	28.1	Very low	117 Å²	117	121.7 Å²	121.7	63%	0.626	70%	0.696	S	S	*	*			cis	-162.5	177.2	-1.7	-127.1	22.3	0	0	0	111.5
1644	D	29	Very low	28.1	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	70%	0.696	S	S	*	*			trans	58.5	145.6	140.7	-61.8	-19.1	0	0	0	123.7
1645	T	30.5	Very low	28.1	Very low	112 Å²	112	125.6 Å²	125.6	69%	0.687	70%	0.699	S	S	*	*			cis	-157.7	-158.7	-12.8	38.7	0	0	0	0	107.5
1646	T	31.1	Very low	28	Very low	100 Å²	100	125.8 Å²	125.8	61%	0.613	70%	0.7	S	S	*	*			cis	-167.1	157	9.8	-14.7	0	0	0	0	111
1647	N	30.6	Very low	27.9	Very low	134 Å²	134	125 Å²	125	72%	0.717	70%	0.701	S	S	*	*			trans	63.8	143.9	152	-63.1	-16.5	0	0	0	120.2
1648	N	28	Very low	27.8	Very low	130 Å²	130	125.1 Å²	125.1	70%	0.695	70%	0.702	S	S	*	*			cis	-163.1	165.3	-10.9	-120.5	-20.2	0	0	0	114.7
1649	T	30.1	Very low	27.7	Very low	114 Å²	114	128 Å²	128	70%	0.699	71%	0.708	S	S	*	*			trans	61.6	95.6	152.3	50.6	0	0	0	0	123.6
1650	T	25.3	Very low	27.6	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	71%	0.706	S	S	*	*				22.7	128.7	122.2	56.1	0	0	0	0	123.2
1651	N	28.7	Very low	27.4	Very low	165 Å²	165	128.1 Å²	128.1	88%	0.882	71%	0.708	S	S	*	*				-174.4	177.6	113.1	-100.7	-20	0	0	0	114.4
1652	N	23.6	Very low	27.1	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	71%	0.707	S	S	*	*			trans	-121	158.7	-156.1	-104.7	-21.7	0	0	0	116.9
1653	T	25.7	Very low	27	Very low	114 Å²	114	128.4 Å²	128.4	70%	0.699	71%	0.71	S	S	*	*			trans	72	118.4	146.9	46.9	0	0	0	0	124.6
1654	T	24.7	Very low	27	Very low	111 Å²	111	129.9 Å²	129.9	68%	0.681	72%	0.718	S	S	*	*				89.7	116.5	128.7	49.7	0	0	0	0	125.9
1655	Y	25.3	Very low	27	Very low	198 Å²	198	130.2 Å²	130.2	78%	0.776	72%	0.72	S	S	*	*			trans	75.9	113.6	137.9	-67.9	-54.6	0	0	0	125
1656	N	23.5	Very low	27	Very low	134 Å²	134	129.7 Å²	129.7	72%	0.717	72%	0.717	S	S	*	*			trans	62	145	132.7	-63	0.9	0	0	0	120.6
1657	T	24.4	Very low	27	Very low	112 Å²	112	129.8 Å²	129.8	69%	0.687	72%	0.717	S	S	*	*			cis	-157.8	155.7	11.5	-11	0	0	0	0	111.6
1658	T	24.9	Very low	27	Very low	117 Å²	117	132.4 Å²	132.4	72%	0.718	72%	0.718	S	S	*	*			trans	42	126.8	157.7	52	0	0	0	0	119.8
1659	H	28.8	Very low	27.2	Very low	164 Å²	164	131.2 Å²	131.2	76%	0.759	71%	0.712	S	S	*	*			cis	-164	169.3	47.5	-117.7	-70.6	0	0	0	111.2
1660	N	24.9	Very low	27.3	Very low	120 Å²	120	130.2 Å²	130.2	64%	0.642	70%	0.702	S	S	*	*			trans	18.3	142.9	150.5	-70.1	48.8	0	0	0	121.5
1661	D	25.8	Very low	27.6	Very low	125 Å²	125	128.3 Å²	128.3	67%	0.668	69%	0.69	S	S	*	*			cis	-158	164.6	18.7	-123.3	-36.2	0	0	0	116.1
1662	T	25.1	Very low	27.8	Very low	110 Å²	110	124.4 Å²	124.4	68%	0.675	67%	0.669	S	S	*	*			trans	18.6	125.6	162	61.2	0	0	0	0	122.9
1663	T	27.3	Very low	28.4	Very low	127 Å²	127	119 Å²	119	78%	0.779	64%	0.642	S	S	*	*				171.6	176.5	109.7	35.8	0	0	0	0	112.2
1664	N	29.1	Very low	28.9	Very low	147 Å²	147	118.1 Å²	118.1	79%	0.786	63%	0.632	S	S	*	*	S	Bend	trans	69.6	50.1	170.2	-61.6	-18.6	0	0	0	119.2
1665	N	28.9	Very low	29.3	Very low	134 Å²	134	118.8 Å²	118.8	72%	0.717	63%	0.629	S	S	*	*			trans	-139.9	18.1	165.3	-132.6	-22.3	0	0	0	115.5
1666	T	30.6	Very low	30.1	Very low	102 Å²	102	112 Å²	112	63%	0.626	61%	0.606	S	S	*	*	S	Bend	trans	-90.2	-33.2	-178.6	37.7	0	0	0	0	113.8	Y1668 I1670	T1666-Y1668 PolarHBondContact O-N 3.32Å; T1666-I1670 WeakPolarHBondContact O-CG1 3.35Å
1667	T	31.1	Very low	31	Very low	101 Å²	101	108.6 Å²	108.6	62%	0.62	59%	0.588	S	S	*	*	H	α-helix	trans	-65.9	-42.5	-168.8	-28.9	0	0	0	0	113.5	N1669 I1670 T1671	T1667-N1669 VanDerWaalsContact C-N 3.33Å; T1667-N1669 PolarHBondContact O-N 2.75Å; T1667-I1670 PolarHBondContact O-N 2.92Å; T1667-T1671 PolarHBondContact O-N 3.35Å
1668	Y	31.2	Very low	31.6	Very low	189 Å²	189	108.8 Å²	108.8	74%	0.741	58%	0.582	S	S	*	*	H	α-helix	trans	-72.7	-22.3	-173.6	-129.8	-85.8	0	0	0	114.1	T1666 T1671	T1666-Y1668 PolarHBondContact O-N 3.32Å; Y1668-T1671 PolarHBondContact O-OG1 2.63Å
1669	N	32.9	Very low	32.8	Very low	105 Å²	105	107.9 Å²	107.9	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-86.4	-18.6	176.6	-79.9	-60.6	0	0	0	113	T1667 S1673	T1667-N1669 VanDerWaalsContact C-N 3.33Å; T1667-N1669 PolarHBondContact O-N 2.75Å; N1669-S1673 WeakPolarHBondContact O-CB 3.43Å; N1669-S1673 PolarHBondContact O-N 2.88Å; N1669-S1673 PolarHBondContact O-OG 3.18Å
1670	I	32.1	Very low	33.8	Very low	94 Å²	94	101.9 Å²	101.9	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-81.5	-44.6	179.6	-69.6	170.2	0	0	0	110.6	T1666 T1667 N1672 S1673 I1674	T1666-I1670 WeakPolarHBondContact O-CG1 3.35Å; T1667-I1670 PolarHBondContact O-N 2.92Å; I1670-N1672 PolarHBondContact O-N 3.42Å; I1670-S1673 WeakPolarHBondContact O-CB 3.43Å; I1670-S1673 PolarHBondContact O-N 2.97Å; I1670-S1673 VanDerWaalsContact O-N 3.12Å; I1670-I1674 HydrophobicContact CG2-CD1 3.68Å; I1670-I1674 HydrophobicContact CG2-CG1 4.38Å; I1670-I1674 WeakPolarHBondContact O-CG1 3.26Å; I1670-I1674 PolarHBondContact O-N 2.73Å
1671	T	31.1	Very low	34.9	Very low	78 Å²	78	104 Å²	104	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-57	-48.5	176.8	42.5	0	0	0	0	112.6	T1667 Y1668 S1673 I1674 M1675	T1667-T1671 PolarHBondContact O-N 3.35Å; Y1668-T1671 PolarHBondContact O-OG1 2.63Å; T1671-S1673 VanDerWaalsContact C-N 3.34Å; T1671-S1673 PolarHBondContact O-N 2.92Å; T1671-I1674 PolarHBondContact O-N 2.54Å; T1671-M1675 PolarHBondContact O-N 3.08Å
1672	N	33.6	Very low	36.1	Very low	82 Å²	82	102.5 Å²	102.5	44%	0.439	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-41	174.5	-79.6	-17.4	0	0	0	112.3	I1670 I1674 M1675 I1676	I1670-N1672 PolarHBondContact O-N 3.42Å; N1672-I1674 VanDerWaalsContact C-N 3.3Å; N1672-I1674 PolarHBondContact O-N 3.07Å; N1672-M1675 PolarHBondContact O-N 2.77Å; N1672-I1676 WeakPolarHBondContact O-CD1 3.41Å; N1672-I1676 VanDerWaalsContact O-CG1 3.3Å; N1672-I1676 WeakPolarHBondContact O-CG1 3.24Å; N1672-I1676 PolarHBondContact O-N 3.13Å
1673	S	35.7	Very low	37.3	Very low	34 Å²	34	98.4 Å²	98.4	24%	0.238	51%	0.51	C	S	.	.	H	α-helix	trans	-62.2	-35.7	176.1	-61.6	0	0	0	0	112.5	N1669 I1670 T1671 N1677 K1727	N1669-S1673 WeakPolarHBondContact O-CB 3.43Å; N1669-S1673 PolarHBondContact O-N 2.88Å; N1669-S1673 PolarHBondContact O-OG 3.18Å; I1670-S1673 WeakPolarHBondContact O-CB 3.43Å; I1670-S1673 PolarHBondContact O-N 2.97Å; I1670-S1673 VanDerWaalsContact O-N 3.12Å; T1671-S1673 VanDerWaalsContact C-N 3.34Å; T1671-S1673 PolarHBondContact O-N 2.92Å; S1673-N1677 PolarHBondContact O-ND2 3.26Å; S1673-K1727 PolarHBondContact OG-NZ 3.39Å
1674	I	35.4	Very low	38.4	Very low	96 Å²	96	94.8 Å²	94.8	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-74.3	-46.9	179.4	-69	167.5	0	0	0	110.8	I1670 T1671 N1672 I1676 N1677 M1678	I1670-I1674 HydrophobicContact CG2-CD1 3.68Å; I1670-I1674 HydrophobicContact CG2-CG1 4.38Å; I1670-I1674 WeakPolarHBondContact O-CG1 3.26Å; I1670-I1674 PolarHBondContact O-N 2.73Å; T1671-I1674 PolarHBondContact O-N 2.54Å; N1672-I1674 VanDerWaalsContact C-N 3.3Å; N1672-I1674 PolarHBondContact O-N 3.07Å; I1674-I1676 VanDerWaalsContact C-N 3.35Å; I1674-I1676 PolarHBondContact O-N 3.25Å; I1674-N1677 PolarHBondContact O-N 2.97Å; I1674-M1678 PolarHBondContact O-N 2.99Å
1675	M	34.3	Very low	39.5	Very low	125 Å²	125	90.1 Å²	90.1	62%	0.616	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-38.3	-176.1	-163.5	172.1	73.1	0	0	112.5	T1671 N1672 M1678 N1679	T1671-M1675 PolarHBondContact O-N 3.08Å; N1672-M1675 PolarHBondContact O-N 2.77Å; M1675-M1678 PolarHBondContact O-N 3.18Å; M1675-N1679 PolarHBondContact O-N 3.23Å
1676	I	41.3	Very low	40.7	Very low	56 Å²	56	89.3 Å²	89.3	29%	0.287	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-41.7	176.2	-68.7	163.9	0	0	0	111.6	N1672 I1674 N1720	N1672-I1676 WeakPolarHBondContact O-CD1 3.41Å; N1672-I1676 VanDerWaalsContact O-CG1 3.3Å; N1672-I1676 WeakPolarHBondContact O-CG1 3.24Å; N1672-I1676 PolarHBondContact O-N 3.13Å; I1674-I1676 VanDerWaalsContact C-N 3.35Å; I1674-I1676 PolarHBondContact O-N 3.25Å; I1676-N1720 WeakPolarHBondContact CG2-OD1 3.26Å
1677	N	41.9	Very low	41.6	Very low	63 Å²	63	86 Å²	86	34%	0.337	43%	0.428	S	S	.	.	H	α-helix	trans	-72.1	-33.5	178.4	-78.7	-80.3	0	0	0	112.5	S1673 I1674 N1679 Q1680 W1681	S1673-N1677 PolarHBondContact O-ND2 3.26Å; I1674-N1677 PolarHBondContact O-N 2.97Å; N1677-N1679 PolarHBondContact O-N 3.46Å; N1677-Q1680 PolarHBondContact O-N 2.86Å; N1677-W1681 PolarHBondContact O-N 3.09Å
1678	M	36.8	Very low	42.5	Very low	116 Å²	116	85.5 Å²	85.5	57%	0.571	42%	0.421	S	S	*	.	H	α-helix	trans	-61.4	-42.4	174.8	-86.5	-165.6	165.4	0	0	112.5	I1674 M1675 Q1680 W1681 L1682	I1674-M1678 PolarHBondContact O-N 2.99Å; M1675-M1678 PolarHBondContact O-N 3.18Å; M1678-Q1680 PolarHBondContact O-N 2.98Å; M1678-W1681 PolarHBondContact O-N 3.01Å; M1678-L1682 WeakPolarHBondContact O-CB 3.45Å; M1678-L1682 PolarHBondContact O-N 3.07Å
1679	N	50.7	Low	43.6	Very low	97 Å²	97	82.4 Å²	82.4	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.7	-90.3	-6.4	0	0	0	112.4	M1675 N1677 W1681 L1682 I1683	M1675-N1679 PolarHBondContact O-N 3.23Å; N1677-N1679 PolarHBondContact O-N 3.46Å; N1679-W1681 VanDerWaalsContact C-N 3.33Å; N1679-W1681 PolarHBondContact O-N 3.25Å; N1679-L1682 PolarHBondContact O-N 3.3Å; N1679-I1683 VanDerWaalsContact O-CG1 3.31Å; N1679-I1683 WeakPolarHBondContact O-CG1 3.08Å; N1679-I1683 PolarHBondContact O-N 3.01Å
1680	Q	49.9	Very low	44.5	Very low	38 Å²	38	81.8 Å²	81.8	18%	0.178	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-40.2	178.2	-66.7	-176.7	-2.9	0	0	112	N1677 M1678 I1684	N1677-Q1680 PolarHBondContact O-N 2.86Å; M1678-Q1680 PolarHBondContact O-N 2.98Å; Q1680-I1684 WeakPolarHBondContact O-CD1 3.4Å; Q1680-I1684 VanDerWaalsContact O-CG1 3.3Å; Q1680-I1684 WeakPolarHBondContact O-CG1 3.45Å; Q1680-I1684 PolarHBondContact O-N 3.37Å; Q1680-I1684 VanDerWaalsContact O-N 3.13Å
1681	W	47.4	Very low	45.3	Very low	166 Å²	166	80.2 Å²	80.2	63%	0.629	40%	0.397	S	S	*	.	H	α-helix	trans	-66.9	-38.6	174.7	-171.7	83	0	0	0	112.5	N1677 M1678 N1679 I1684 N1685	N1677-W1681 PolarHBondContact O-N 3.09Å; M1678-W1681 PolarHBondContact O-N 3.01Å; N1679-W1681 VanDerWaalsContact C-N 3.33Å; N1679-W1681 PolarHBondContact O-N 3.25Å; W1681-I1684 PolarHBondContact O-N 3.5Å; W1681-N1685 WeakPolarHBondContact CH2-ND2 3.31Å; W1681-N1685 WeakPolarHBondContact CZ2-ND2 3.15Å; W1681-N1685 WeakPolarHBondContact CZ3-ND2 3.18Å; W1681-N1685 VanDerWaalsContact O-CB 3.23Å; W1681-N1685 WeakPolarHBondContact O-CB 3.11Å; W1681-N1685 PolarHBondContact O-N 2.93Å
1682	L	50.9	Low	46.1	Very low	92 Å²	92	83.5 Å²	83.5	48%	0.482	41%	0.407	S	S	.	.	H	α-helix	trans	-65.2	-44.3	179.3	-153.7	79.8	0	0	0	111.8	M1678 N1679 N1685 Q1686	M1678-L1682 WeakPolarHBondContact O-CB 3.45Å; M1678-L1682 PolarHBondContact O-N 3.07Å; N1679-L1682 PolarHBondContact O-N 3.3Å; L1682-N1685 PolarHBondContact O-N 3.46Å; L1682-Q1686 WeakPolarHBondContact O-CG 3.31Å; L1682-Q1686 PolarHBondContact O-N 3.46Å
1683	I	51.4	Low	47.2	Very low	24 Å²	24	86.7 Å²	86.7	12%	0.123	42%	0.423	C	S	.	.	H	α-helix	trans	-58.6	-54.4	174.7	-67.9	164	0	0	0	109.8	N1679 N1685 Q1686 Y1687 L1709	N1679-I1683 VanDerWaalsContact O-CG1 3.31Å; N1679-I1683 WeakPolarHBondContact O-CG1 3.08Å; N1679-I1683 PolarHBondContact O-N 3.01Å; I1683-N1685 VanDerWaalsContact C-N 3.26Å; I1683-N1685 PolarHBondContact O-N 3.27Å; I1683-Q1686 PolarHBondContact O-N 2.97Å; I1683-Q1686 VanDerWaalsContact O-N 3.13Å; I1683-Y1687 HydrophobicContact CG2-CD2 3.93Å; I1683-Y1687 HydrophobicContact CG2-CE2 3.97Å; I1683-Y1687 WeakPolarHBondContact O-CD2 3.48Å; I1683-Y1687 PolarHBondContact O-N 3.22Å; I1683-L1709 HydrophobicContact CG2-CD1 3.97Å
1684	I	50.5	Low	47.7	Very low	52 Å²	52	87.7 Å²	87.7	27%	0.267	43%	0.426	S	S	.	.	H	α-helix	trans	-57.9	-39.4	-179.8	-69.5	168	0	0	0	111.4	Q1680 W1681 L1688 L1713	Q1680-I1684 WeakPolarHBondContact O-CD1 3.4Å; Q1680-I1684 VanDerWaalsContact O-CG1 3.3Å; Q1680-I1684 WeakPolarHBondContact O-CG1 3.45Å; Q1680-I1684 PolarHBondContact O-N 3.37Å; Q1680-I1684 VanDerWaalsContact O-N 3.13Å; W1681-I1684 PolarHBondContact O-N 3.5Å; I1684-L1688 HydrophobicContact CG2-CD1 3.82Å; I1684-L1688 HydrophobicContact CG2-CG 4.37Å; I1684-L1688 WeakPolarHBondContact O-CB 3.32Å; I1684-L1688 VanDerWaalsContact O-CG 3.25Å; I1684-L1688 WeakPolarHBondContact O-CG 3.48Å; I1684-L1688 PolarHBondContact O-N 2.79Å; I1684-L1713 HydrophobicContact CD1-CD2 4.45Å; I1684-L1713 HydrophobicContact CG1-CD2 4.42Å
1685	N	51.4	Low	47.8	Very low	49 Å²	49	87.3 Å²	87.3	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-72.4	-33.6	179.2	-162.7	-14.7	0	0	0	112.9	W1681 L1682 I1683 K1689	W1681-N1685 WeakPolarHBondContact CH2-ND2 3.31Å; W1681-N1685 WeakPolarHBondContact CZ2-ND2 3.15Å; W1681-N1685 WeakPolarHBondContact CZ3-ND2 3.18Å; W1681-N1685 VanDerWaalsContact O-CB 3.23Å; W1681-N1685 WeakPolarHBondContact O-CB 3.11Å; W1681-N1685 PolarHBondContact O-N 2.93Å; L1682-N1685 PolarHBondContact O-N 3.46Å; I1683-N1685 VanDerWaalsContact C-N 3.26Å; I1683-N1685 PolarHBondContact O-N 3.27Å; N1685-K1689 WeakPolarHBondContact O-CG 3.47Å; N1685-K1689 PolarHBondContact O-N 3.14Å
1686	Q	54.6	Low	48.1	Very low	116 Å²	116	88.9 Å²	88.9	54%	0.542	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-49.3	171.5	-78.9	-177.9	-23.4	0	0	111.8	L1682 I1683 K1689 Q1690	L1682-Q1686 WeakPolarHBondContact O-CG 3.31Å; L1682-Q1686 PolarHBondContact O-N 3.46Å; I1683-Q1686 PolarHBondContact O-N 2.97Å; I1683-Q1686 VanDerWaalsContact O-N 3.13Å; Q1686-K1689 PolarHBondContact O-N 2.62Å; Q1686-Q1690 PolarHBondContact O-N 2.96Å
1687	Y	50	Low	48	Very low	33 Å²	33	94.3 Å²	94.3	13%	0.129	47%	0.467	C	S	.	.	H	α-helix	trans	-69.2	-34.4	179.6	-79.9	-89.5	0	0	0	112.7	I1683 K1689 Q1690 I1691 I1705 L1709 E1712	I1683-Y1687 HydrophobicContact CG2-CD2 3.93Å; I1683-Y1687 HydrophobicContact CG2-CE2 3.97Å; I1683-Y1687 WeakPolarHBondContact O-CD2 3.48Å; I1683-Y1687 PolarHBondContact O-N 3.22Å; Y1687-K1689 VanDerWaalsContact C-N 3.33Å; Y1687-K1689 PolarHBondContact O-N 2.7Å; Y1687-Q1690 PolarHBondContact O-N 3.38Å; Y1687-I1691 VanDerWaalsContact O-CG1 3.31Å; Y1687-I1691 WeakPolarHBondContact O-CG1 3.27Å; Y1687-I1691 PolarHBondContact O-N 2.71Å; Y1687-I1705 HydrophobicContact CD1-CG2 3.69Å; Y1687-I1705 HydrophobicContact CE1-CG2 4.03Å; Y1687-L1709 HydrophobicContact CD1-CB 3.99Å; Y1687-L1709 HydrophobicContact CD2-CD1 3.67Å; Y1687-L1709 HydrophobicContact CE1-CB 4.03Å; Y1687-L1709 HydrophobicContact CE2-CD1 4.06Å; Y1687-L1709 HydrophobicContact CG-CB 4.21Å; Y1687-L1709 HydrophobicContact CG-CD1 3.9Å; Y1687-L1709 HydrophobicContact CG-CD2 4.29Å; Y1687-L1709 HydrophobicContact CG-CG 4.35Å; Y1687-E1712 VanDerWaalsContact CE2-OE2 3.23Å; Y1687-E1712 WeakPolarHBondContact CE2-OE2 3.22Å; Y1687-E1712 PolarHBondContact OH-OE2 2.89Å
1688	L	50.2	Low	48.5	Very low	91 Å²	91	95.8 Å²	95.8	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-42.4	172.2	-81.4	169	0	0	0	112.2	I1684 Q1690 I1691 E1692	I1684-L1688 HydrophobicContact CG2-CD1 3.82Å; I1684-L1688 HydrophobicContact CG2-CG 4.37Å; I1684-L1688 WeakPolarHBondContact O-CB 3.32Å; I1684-L1688 VanDerWaalsContact O-CG 3.25Å; I1684-L1688 WeakPolarHBondContact O-CG 3.48Å; I1684-L1688 PolarHBondContact O-N 2.79Å; L1688-Q1690 PolarHBondContact O-N 3.41Å; L1688-I1691 PolarHBondContact O-N 3.5Å; L1688-I1691 VanDerWaalsContact O-N 3.16Å; L1688-E1692 PolarHBondContact O-N 2.97Å
1689	K	53.4	Low	49.1	Very low	124 Å²	124	95.8 Å²	95.8	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-35.6	175.2	-73.3	-179.7	178.1	-174	0	113.2	N1685 Q1686 Y1687 I1691 L1693	N1685-K1689 WeakPolarHBondContact O-CG 3.47Å; N1685-K1689 PolarHBondContact O-N 3.14Å; Q1686-K1689 PolarHBondContact O-N 2.62Å; Y1687-K1689 VanDerWaalsContact C-N 3.33Å; Y1687-K1689 PolarHBondContact O-N 2.7Å; K1689-I1691 VanDerWaalsContact C-N 3.31Å; K1689-L1693 PolarHBondContact O-N 3.43Å
1690	Q	51.4	Low	49.1	Very low	91 Å²	91	97.4 Å²	97.4	43%	0.425	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-35.4	172.4	-67.8	-178.5	6.6	0	0	111.9	Q1686 Y1687 L1688 L1693 L1694	Q1686-Q1690 PolarHBondContact O-N 2.96Å; Y1687-Q1690 PolarHBondContact O-N 3.38Å; L1688-Q1690 PolarHBondContact O-N 3.41Å; Q1690-L1693 PolarHBondContact O-N 2.89Å; Q1690-L1694 WeakPolarHBondContact O-CG 3.29Å; Q1690-L1694 PolarHBondContact O-N 2.96Å
1691	I	50.3	Low	49.4	Very low	62 Å²	62	100.5 Å²	100.5	32%	0.318	50%	0.498	S	S	.	.	H	α-helix	trans	-71.4	-39.2	177.4	-68.7	165.1	0	0	0	111.6	Y1687 L1688 K1689 L1693 L1694 L1702	Y1687-I1691 VanDerWaalsContact O-CG1 3.31Å; Y1687-I1691 WeakPolarHBondContact O-CG1 3.27Å; Y1687-I1691 PolarHBondContact O-N 2.71Å; L1688-I1691 PolarHBondContact O-N 3.5Å; L1688-I1691 VanDerWaalsContact O-N 3.16Å; K1689-I1691 VanDerWaalsContact C-N 3.31Å; I1691-L1693 VanDerWaalsContact C-N 3.31Å; I1691-L1693 PolarHBondContact O-N 3.13Å; I1691-L1694 PolarHBondContact O-N 3.2Å; I1691-L1702 HydrophobicContact CG1-CD1 4.14Å; I1691-L1702 HydrophobicContact CG2-CD1 4.3Å
1692	E	48	Very low	49.6	Very low	147 Å²	147	94.8 Å²	94.8	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-59.5	-40.6	171.9	-76.7	-173.4	124.6	0	0	112.2	L1688 L1694 S1695	L1688-E1692 PolarHBondContact O-N 2.97Å; E1692-L1694 VanDerWaalsContact C-N 3.27Å; E1692-L1694 PolarHBondContact O-N 3.47Å; E1692-S1695 PolarHBondContact O-OG 3.37Å
1693	L	54.9	Low	49.6	Very low	148 Å²	148	96 Å²	96	78%	0.775	48%	0.484	S	S	*	.	H	α-helix	trans	-68.9	-16.9	177.9	-82.1	164	0	0	0	114.5	K1689 Q1690 I1691 S1695	K1689-L1693 PolarHBondContact O-N 3.43Å; Q1690-L1693 PolarHBondContact O-N 2.89Å; I1691-L1693 VanDerWaalsContact C-N 3.31Å; I1691-L1693 PolarHBondContact O-N 3.13Å; L1693-S1695 VanDerWaalsContact C-N 3.28Å; L1693-S1695 PolarHBondContact O-N 3Å
1694	L	46.8	Very low	50	Low	56 Å²	56	101 Å²	101	29%	0.293	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	19.5	-177.2	-80.4	166.4	0	0	0	114.3	Q1690 I1691 E1692 N1696 I1705	Q1690-L1694 WeakPolarHBondContact O-CG 3.29Å; Q1690-L1694 PolarHBondContact O-N 2.96Å; I1691-L1694 PolarHBondContact O-N 3.2Å; E1692-L1694 VanDerWaalsContact C-N 3.27Å; E1692-L1694 PolarHBondContact O-N 3.47Å; L1694-N1696 VanDerWaalsContact C-N 3.25Å; L1694-N1696 PolarHBondContact O-N 2.7Å; L1694-I1705 HydrophobicContact CD1-CD1 3.49Å; L1694-I1705 VanDerWaalsContact CD1-CD1 3.49Å
1695	S	38.3	Very low	50.4	Low	88 Å²	88	99.8 Å²	99.8	62%	0.615	50%	0.499	S	S	*	.	S	Bend	trans	-72.6	69.5	176	42.4	0	0	0	0	112.9	E1692 L1693	E1692-S1695 PolarHBondContact O-OG 3.37Å; L1693-S1695 VanDerWaalsContact C-N 3.28Å; L1693-S1695 PolarHBondContact O-N 3Å
1696	N	40.2	Very low	50.4	Low	158 Å²	158	100.2 Å²	100.2	85%	0.845	50%	0.498	S	S	*	.	S	Bend	trans	170.6	-18.8	131.5	-87.1	-42.5	0	0	0	116.2	L1694	L1694-N1696 VanDerWaalsContact C-N 3.25Å; L1694-N1696 PolarHBondContact O-N 2.7Å
1697	Q	38.6	Very low	50.6	Low	170 Å²	170	102.3 Å²	102.3	79%	0.794	50%	0.502	S	S	*	.	S	Bend	trans	-139.5	53.6	-163.4	-65.2	-167.3	-11	0	0	118.1
1698	N	53	Low	51.2	Low	94 Å²	94	104.6 Å²	104.6	50%	0.503	51%	0.514	S	S	.	.			trans	176.3	114.2	138.5	-107.7	-67.8	0	0	0	113.5	N1700 Q1701 L1702	N1698-N1700 VanDerWaalsContact C-N 3.3Å; N1698-N1700 PolarHBondContact O-N 3.35Å; N1698-Q1701 HydrophobicContact CB-CB 4.06Å; N1698-Q1701 HydrophobicContact CB-CG 4.14Å; N1698-Q1701 PolarHBondContact O-N 2.71Å; N1698-L1702 PolarHBondContact O-N 2.97Å
1699	M	48.3	Very low	51.4	Low	116 Å²	116	101.7 Å²	101.7	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-64.1	-33.4	173.4	-73.8	-67.7	-75	0	0	112.9	L1702 M1703	M1699-L1702 PolarHBondContact O-N 3.13Å; M1699-L1702 HydrophobicContact SD-CD2 4.44Å; M1699-M1703 WeakPolarHBondContact O-CG 3.5Å; M1699-M1703 PolarHBondContact O-N 3.48Å
1700	N	52.4	Low	51.6	Low	130 Å²	130	100.6 Å²	100.6	70%	0.695	50%	0.495	S	S	*	.	H	α-helix	trans	-69.2	-34.6	-179.1	-70.5	-8.3	0	0	0	112.7	N1698 K1704	N1698-N1700 VanDerWaalsContact C-N 3.3Å; N1698-N1700 PolarHBondContact O-N 3.35Å; N1700-K1704 PolarHBondContact O-N 2.79Å; N1700-K1704 VanDerWaalsContact O-N 3.08Å
1701	Q	54.7	Low	51.8	Low	103 Å²	103	99.4 Å²	99.4	48%	0.481	49%	0.491	S	S	.	.	H	α-helix	trans	-70.3	-41	173.3	-75.8	178.9	-52.3	0	0	111.2	N1698 M1703 K1704 I1705	N1698-Q1701 HydrophobicContact CB-CB 4.06Å; N1698-Q1701 HydrophobicContact CB-CG 4.14Å; N1698-Q1701 PolarHBondContact O-N 2.71Å; Q1701-M1703 VanDerWaalsContact C-N 3.33Å; Q1701-M1703 PolarHBondContact O-N 3.34Å; Q1701-K1704 PolarHBondContact O-N 3Å; Q1701-I1705 WeakPolarHBondContact O-CB 3.44Å; Q1701-I1705 WeakPolarHBondContact O-CG1 3.23Å; Q1701-I1705 PolarHBondContact O-N 2.88Å
1702	L	51.3	Low	52.3	Low	46 Å²	46	100.2 Å²	100.2	24%	0.241	49%	0.494	C	S	.	.	H	α-helix	trans	-60.1	-41.7	175.5	-175.4	64.2	0	0	0	112.1	I1691 N1698 M1699 K1706	I1691-L1702 HydrophobicContact CG1-CD1 4.14Å; I1691-L1702 HydrophobicContact CG2-CD1 4.3Å; N1698-L1702 PolarHBondContact O-N 2.97Å; M1699-L1702 PolarHBondContact O-N 3.13Å; M1699-L1702 HydrophobicContact SD-CD2 4.44Å; L1702-K1706 WeakPolarHBondContact O-CB 3.4Å; L1702-K1706 WeakPolarHBondContact O-CG 3.42Å; L1702-K1706 PolarHBondContact O-N 2.99Å
1703	M	52.2	Low	52.5	Low	119 Å²	119	94.9 Å²	94.9	59%	0.586	47%	0.469	S	S	*	.	H	α-helix	trans	-66.3	-39.4	174.9	-71.9	-67.1	-71.5	0	0	112.6	M1699 Q1701 K1706 Y1707	M1699-M1703 WeakPolarHBondContact O-CG 3.5Å; M1699-M1703 PolarHBondContact O-N 3.48Å; Q1701-M1703 VanDerWaalsContact C-N 3.33Å; Q1701-M1703 PolarHBondContact O-N 3.34Å; M1703-K1706 PolarHBondContact O-N 3.21Å; M1703-Y1707 PolarHBondContact O-N 3.43Å
1704	K	60.1	Low	52.5	Low	127 Å²	127	89.9 Å²	89.9	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-62.6	-48.3	176	-167.5	-179.2	-175	-101.3	0	111.7	N1700 Q1701 K1706 Y1707 E1708	N1700-K1704 PolarHBondContact O-N 2.79Å; N1700-K1704 VanDerWaalsContact O-N 3.08Å; Q1701-K1704 PolarHBondContact O-N 3Å; K1704-K1706 PolarHBondContact O-N 3.4Å; K1704-Y1707 WeakPolarHBondContact O-CB 3.29Å; K1704-Y1707 PolarHBondContact O-N 2.8Å; K1704-E1708 WeakPolarHBondContact CE-OE1 3.27Å; K1704-E1708 IonicContact NZ-OE1 3.35Å; K1704-E1708 PolarHBondContact NZ-OE1 2.89Å; K1704-E1708 IonicContact NZ-OE2 3.19Å; K1704-E1708 WeakPolarHBondContact O-CG 3.22Å; K1704-E1708 PolarHBondContact O-N 3Å
1705	I	59.2	Low	53	Low	28 Å²	28	92.4 Å²	92.4	14%	0.144	45%	0.453	C	S	.	.	H	α-helix	trans	-64.3	-38.8	180	-68.5	165.6	0	0	0	111.2	Y1687 L1694 Q1701 Y1707 E1708 L1709	Y1687-I1705 HydrophobicContact CD1-CG2 3.69Å; Y1687-I1705 HydrophobicContact CE1-CG2 4.03Å; L1694-I1705 HydrophobicContact CD1-CD1 3.49Å; L1694-I1705 VanDerWaalsContact CD1-CD1 3.49Å; Q1701-I1705 WeakPolarHBondContact O-CB 3.44Å; Q1701-I1705 WeakPolarHBondContact O-CG1 3.23Å; Q1701-I1705 PolarHBondContact O-N 2.88Å; I1705-Y1707 VanDerWaalsContact C-N 3.32Å; I1705-Y1707 PolarHBondContact O-N 3.39Å; I1705-E1708 PolarHBondContact O-N 3.19Å; I1705-L1709 WeakPolarHBondContact O-CB 3.39Å; I1705-L1709 PolarHBondContact O-N 3.39Å
1706	K	50.7	Low	53.6	Low	58 Å²	58	90.8 Å²	90.8	25%	0.252	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-41.1	170.2	-83.1	-173.7	168.5	-163.5	0	112.4	L1702 M1703 K1704 F1710 N1746	L1702-K1706 WeakPolarHBondContact O-CB 3.4Å; L1702-K1706 WeakPolarHBondContact O-CG 3.42Å; L1702-K1706 PolarHBondContact O-N 2.99Å; M1703-K1706 PolarHBondContact O-N 3.21Å; K1704-K1706 PolarHBondContact O-N 3.4Å; K1706-F1710 WeakPolarHBondContact O-CB 3.44Å; K1706-F1710 PolarHBondContact O-N 3.37Å; K1706-F1710 VanDerWaalsContact O-N 3.14Å; K1706-N1746 PolarHBondContact NZ-OD1 2.9Å
1707	Y	59.4	Low	54	Low	160 Å²	160	86.1 Å²	86.1	63%	0.627	41%	0.41	S	S	*	.	H	α-helix	trans	-72.5	-39	-178.9	-159.6	-97.8	0	0	0	112.2	M1703 K1704 I1705 F1710 N1711	M1703-Y1707 PolarHBondContact O-N 3.43Å; K1704-Y1707 WeakPolarHBondContact O-CB 3.29Å; K1704-Y1707 PolarHBondContact O-N 2.8Å; I1705-Y1707 VanDerWaalsContact C-N 3.32Å; I1705-Y1707 PolarHBondContact O-N 3.39Å; Y1707-F1710 PolarHBondContact O-N 3.31Å; Y1707-N1711 WeakPolarHBondContact CD1-ND2 3.48Å; Y1707-N1711 WeakPolarHBondContact CE1-ND2 3.43Å; Y1707-N1711 PolarHBondContact O-N 3Å; Y1707-N1711 PolarHBondContact O-ND2 2.98Å
1708	E	62.6	Low	54.6	Low	80 Å²	80	83.3 Å²	83.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-49.8	175.5	-72.5	167.8	156.8	0	0	111	K1704 I1705 F1710 N1711 E1712	K1704-E1708 WeakPolarHBondContact CE-OE1 3.27Å; K1704-E1708 IonicContact NZ-OE1 3.35Å; K1704-E1708 PolarHBondContact NZ-OE1 2.89Å; K1704-E1708 IonicContact NZ-OE2 3.19Å; K1704-E1708 WeakPolarHBondContact O-CG 3.22Å; K1704-E1708 PolarHBondContact O-N 3Å; I1705-E1708 PolarHBondContact O-N 3.19Å; E1708-F1710 VanDerWaalsContact C-N 3.32Å; E1708-F1710 PolarHBondContact O-N 3.22Å; E1708-N1711 PolarHBondContact O-N 3.49Å; E1708-E1712 WeakPolarHBondContact O-CB 3.34Å; E1708-E1712 PolarHBondContact O-N 2.91Å
1709	L	54.7	Low	54.5	Low	31 Å²	31	85.5 Å²	85.5	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-56.2	-40.6	174.1	173.8	61.9	0	0	0	113.2	I1683 Y1687 I1705 L1713	I1683-L1709 HydrophobicContact CG2-CD1 3.97Å; Y1687-L1709 HydrophobicContact CD1-CB 3.99Å; Y1687-L1709 HydrophobicContact CD2-CD1 3.67Å; Y1687-L1709 HydrophobicContact CE1-CB 4.03Å; Y1687-L1709 HydrophobicContact CE2-CD1 4.06Å; Y1687-L1709 HydrophobicContact CG-CB 4.21Å; Y1687-L1709 HydrophobicContact CG-CD1 3.9Å; Y1687-L1709 HydrophobicContact CG-CD2 4.29Å; Y1687-L1709 HydrophobicContact CG-CG 4.35Å; I1705-L1709 WeakPolarHBondContact O-CB 3.39Å; I1705-L1709 PolarHBondContact O-N 3.39Å; L1709-L1713 HydrophobicContact CD1-CD1 3.82Å; L1709-L1713 HydrophobicContact CD1-CG 4.1Å; L1709-L1713 HydrophobicContact CG-CD1 4.07Å; L1709-L1713 WeakPolarHBondContact O-CB 3.41Å; L1709-L1713 WeakPolarHBondContact O-CG 3.44Å; L1709-L1713 PolarHBondContact O-N 3.3Å
1710	F	56.2	Low	54.4	Low	101 Å²	101	81.5 Å²	81.5	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-45.1	179.2	177.6	-97.5	0	0	0	112.2	K1706 Y1707 E1708 M1714	K1706-F1710 WeakPolarHBondContact O-CB 3.44Å; K1706-F1710 PolarHBondContact O-N 3.37Å; K1706-F1710 VanDerWaalsContact O-N 3.14Å; Y1707-F1710 PolarHBondContact O-N 3.31Å; E1708-F1710 VanDerWaalsContact C-N 3.32Å; E1708-F1710 PolarHBondContact O-N 3.22Å; F1710-M1714 HydrophobicContact CE1-CG 4.26Å; F1710-M1714 HydrophobicContact CE2-CG 4.45Å; F1710-M1714 HydrophobicContact CZ-CG 4.14Å; F1710-M1714 WeakPolarHBondContact O-CG 3.36Å; F1710-M1714 PolarHBondContact O-N 2.78Å; F1710-M1714 VanDerWaalsContact O-N 3.09Å
1711	N	56.9	Low	54.1	Low	66 Å²	66	80.2 Å²	80.2	35%	0.353	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-41.4	178.8	-67.2	-51.3	0	0	0	111.7	Y1707 E1708 L1713 M1714 E1715	Y1707-N1711 WeakPolarHBondContact CD1-ND2 3.48Å; Y1707-N1711 WeakPolarHBondContact CE1-ND2 3.43Å; Y1707-N1711 PolarHBondContact O-N 3Å; Y1707-N1711 PolarHBondContact O-ND2 2.98Å; E1708-N1711 PolarHBondContact O-N 3.49Å; N1711-L1713 VanDerWaalsContact C-N 3.35Å; N1711-L1713 PolarHBondContact O-N 3.43Å; N1711-M1714 PolarHBondContact O-N 3.33Å; N1711-M1714 VanDerWaalsContact O-N 3.12Å; N1711-E1715 PolarHBondContact O-N 2.93Å
1712	E	60.1	Low	53.6	Low	79 Å²	79	83 Å²	83	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-37.7	178.9	-171.7	167.5	-157	0	0	112.2	Y1687 E1708 N1716	Y1687-E1712 VanDerWaalsContact CE2-OE2 3.23Å; Y1687-E1712 WeakPolarHBondContact CE2-OE2 3.22Å; Y1687-E1712 PolarHBondContact OH-OE2 2.89Å; E1708-E1712 WeakPolarHBondContact O-CB 3.34Å; E1708-E1712 PolarHBondContact O-N 2.91Å; E1712-N1716 WeakPolarHBondContact O-CB 3.48Å; E1712-N1716 PolarHBondContact O-N 3.26Å; E1712-N1716 PolarHBondContact O-ND2 3.39Å
1713	L	51.8	Low	53.2	Low	34 Å²	34	86.3 Å²	86.3	18%	0.178	41%	0.406	C	S	.	.	H	α-helix	trans	-66.6	-37.9	170.6	-76.8	169.7	0	0	0	112.6	I1684 L1709 N1711 F1717	I1684-L1713 HydrophobicContact CD1-CD2 4.45Å; I1684-L1713 HydrophobicContact CG1-CD2 4.42Å; L1709-L1713 HydrophobicContact CD1-CD1 3.82Å; L1709-L1713 HydrophobicContact CD1-CG 4.1Å; L1709-L1713 HydrophobicContact CG-CD1 4.07Å; L1709-L1713 WeakPolarHBondContact O-CB 3.41Å; L1709-L1713 WeakPolarHBondContact O-CG 3.44Å; L1709-L1713 PolarHBondContact O-N 3.3Å; N1711-L1713 VanDerWaalsContact C-N 3.35Å; N1711-L1713 PolarHBondContact O-N 3.43Å; L1713-F1717 WeakPolarHBondContact O-CB 3.39Å; L1713-F1717 PolarHBondContact O-N 2.74Å
1714	M	54.4	Low	52.7	Low	44 Å²	44	83.4 Å²	83.4	22%	0.217	40%	0.398	C	S	.	.	H	α-helix	trans	-74.2	-37.6	-177.7	-81.2	-53.6	-48.7	0	0	114.4	F1710 N1711 F1717 K1718 Y1735	F1710-M1714 HydrophobicContact CE1-CG 4.26Å; F1710-M1714 HydrophobicContact CE2-CG 4.45Å; F1710-M1714 HydrophobicContact CZ-CG 4.14Å; F1710-M1714 WeakPolarHBondContact O-CG 3.36Å; F1710-M1714 PolarHBondContact O-N 2.78Å; F1710-M1714 VanDerWaalsContact O-N 3.09Å; N1711-M1714 PolarHBondContact O-N 3.33Å; N1711-M1714 VanDerWaalsContact O-N 3.12Å; M1714-F1717 HydrophobicContact CE-CB 4.38Å; M1714-F1717 HydrophobicContact CE-CD1 3.88Å; M1714-F1717 HydrophobicContact CE-CG 4.44Å; M1714-F1717 WeakPolarHBondContact O-CB 3.36Å; M1714-F1717 PolarHBondContact O-N 3.02Å; M1714-K1718 PolarHBondContact O-N 3.43Å; M1714-Y1735 HydrophobicContact SD-CE2 4.31Å; M1714-Y1735 PolarHBondContact SD-OH 3.17Å
1715	E	57.4	Low	51.8	Low	109 Å²	109	86.9 Å²	86.9	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-68.1	-39.3	173.7	-68.3	-53.2	128.6	0	0	111.5	N1711 F1717 K1718 F1719	N1711-E1715 PolarHBondContact O-N 2.93Å; E1715-F1717 VanDerWaalsContact C-N 3.27Å; E1715-F1717 PolarHBondContact O-N 3.18Å; E1715-K1718 PolarHBondContact O-N 3.45Å; E1715-K1718 WeakPolarHBondContact OE1-CE 3.42Å; E1715-K1718 IonicContact OE1-NZ 3.83Å; E1715-K1718 PolarHBondContact OE1-NZ 3.01Å; E1715-K1718 IonicContact OE2-NZ 2.71Å; E1715-F1719 PolarHBondContact O-N 3.37Å
1716	N	50.9	Low	50.8	Low	54 Å²	54	93 Å²	93	29%	0.289	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-35.1	170	-84	-72.4	0	0	0	112.3	E1712 N1720	E1712-N1716 WeakPolarHBondContact O-CB 3.48Å; E1712-N1716 PolarHBondContact O-N 3.26Å; E1712-N1716 PolarHBondContact O-ND2 3.39Å; N1716-N1720 PolarHBondContact O-N 2.79Å; N1716-N1720 PolarHBondContact O-ND2 3.46Å
1717	F	49.5	Very low	50.6	Low	59 Å²	59	94.8 Å²	94.8	26%	0.259	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-48.2	174.2	-179	-95.1	0	0	0	111.9	L1713 M1714 E1715 F1719 N1720 L1721 Y1735	L1713-F1717 WeakPolarHBondContact O-CB 3.39Å; L1713-F1717 PolarHBondContact O-N 2.74Å; M1714-F1717 HydrophobicContact CE-CB 4.38Å; M1714-F1717 HydrophobicContact CE-CD1 3.88Å; M1714-F1717 HydrophobicContact CE-CG 4.44Å; M1714-F1717 WeakPolarHBondContact O-CB 3.36Å; M1714-F1717 PolarHBondContact O-N 3.02Å; E1715-F1717 VanDerWaalsContact C-N 3.27Å; E1715-F1717 PolarHBondContact O-N 3.18Å; F1717-F1719 PolarHBondContact O-N 3.15Å; F1717-N1720 PolarHBondContact O-N 2.8Å; F1717-L1721 HydrophobicContact CE1-CD2 4.37Å; F1717-L1721 HydrophobicContact CZ-CD1 4.45Å; F1717-L1721 PolarHBondContact O-N 2.89Å; F1717-Y1735 AromaticContact CD2-CD2 4Å; F1717-Y1735 HydrophobicContact CD2-CD2 4Å; F1717-Y1735 HydrophobicContact CD2-CE2 4.04Å; F1717-Y1735 AromaticContact CE2-CD2 3.93Å; F1717-Y1735 HydrophobicContact CE2-CD2 3.93Å; F1717-Y1735 HydrophobicContact CE2-CE2 4.17Å; F1717-Y1735 HydrophobicContact CE2-CG 4.17Å; F1717-Y1735 HydrophobicContact CG-CE2 4.43Å
1718	K	51.3	Low	49.8	Very low	112 Å²	112	93.4 Å²	93.4	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-55.6	-47.2	176.4	-72.6	176.1	-177.4	170.8	0	112.2	M1714 E1715 N1720 L1721 M1722	M1714-K1718 PolarHBondContact O-N 3.43Å; E1715-K1718 PolarHBondContact O-N 3.45Å; E1715-K1718 WeakPolarHBondContact OE1-CE 3.42Å; E1715-K1718 IonicContact OE1-NZ 3.83Å; E1715-K1718 PolarHBondContact OE1-NZ 3.01Å; E1715-K1718 IonicContact OE2-NZ 2.71Å; K1718-N1720 VanDerWaalsContact C-N 3.3Å; K1718-N1720 PolarHBondContact O-N 3.09Å; K1718-L1721 PolarHBondContact O-N 2.92Å; K1718-M1722 PolarHBondContact O-N 3.02Å
1719	F	51.3	Low	49.1	Very low	140 Å²	140	95.6 Å²	95.6	61%	0.614	47%	0.466	S	S	*	.	H	α-helix	trans	-62	-36.4	-178.6	-173.3	-95.9	0	0	0	112.9	E1715 F1717 N1723	E1715-F1719 PolarHBondContact O-N 3.37Å; F1717-F1719 PolarHBondContact O-N 3.15Å; F1719-N1723 PolarHBondContact O-ND2 2.7Å; F1719-N1723 VanDerWaalsContact O-ND2 3.14Å
1720	N	46.2	Very low	48.9	Very low	32 Å²	32	100.8 Å²	100.8	17%	0.171	49%	0.489	C	S	.	.	H	α-helix	trans	-79.3	-29.3	177.6	-75.8	-71.2	0	0	0	113.1	I1676 N1716 F1717 K1718 M1722 N1723	I1676-N1720 WeakPolarHBondContact CG2-OD1 3.26Å; N1716-N1720 PolarHBondContact O-N 2.79Å; N1716-N1720 PolarHBondContact O-ND2 3.46Å; F1717-N1720 PolarHBondContact O-N 2.8Å; K1718-N1720 VanDerWaalsContact C-N 3.3Å; K1718-N1720 PolarHBondContact O-N 3.09Å; N1720-M1722 VanDerWaalsContact C-N 3.32Å; N1720-M1722 PolarHBondContact O-N 2.99Å; N1720-N1723 PolarHBondContact O-N 3.15Å
1721	L	46.3	Very low	48.4	Very low	103 Å²	103	98.9 Å²	98.9	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-36.4	177.2	-166.5	70.8	0	0	0	112.4	F1717 K1718 N1723	F1717-L1721 HydrophobicContact CE1-CD2 4.37Å; F1717-L1721 HydrophobicContact CZ-CD1 4.45Å; F1717-L1721 PolarHBondContact O-N 2.89Å; K1718-L1721 PolarHBondContact O-N 2.92Å; L1721-N1723 VanDerWaalsContact C-N 3.26Å; L1721-N1723 PolarHBondContact O-N 3.15Å
1722	M	43.2	Very low	48	Very low	162 Å²	162	101 Å²	101	80%	0.798	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.8	175	-77.8	-73.7	-159.2	0	0	113.6	K1718 N1720	K1718-M1722 PolarHBondContact O-N 3.02Å; N1720-M1722 VanDerWaalsContact C-N 3.32Å; N1720-M1722 PolarHBondContact O-N 2.99Å
1723	N	44	Very low	47.6	Very low	114 Å²	114	102.8 Å²	102.8	61%	0.61	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-1.2	-159.4	-77.1	-45.9	0	0	0	115.9	F1719 N1720 L1721	F1719-N1723 PolarHBondContact O-ND2 2.7Å; F1719-N1723 VanDerWaalsContact O-ND2 3.14Å; N1720-N1723 PolarHBondContact O-N 3.15Å; L1721-N1723 VanDerWaalsContact C-N 3.26Å; L1721-N1723 PolarHBondContact O-N 3.15Å
1724	S	40.9	Very low	47.3	Very low	59 Å²	59	105.2 Å²	105.2	41%	0.413	51%	0.508	S	S	.	.			trans	-149.5	98.5	176.7	64.4	0	0	0	0	115.8	N1726	S1724-N1726 VanDerWaalsContact C-N 3.29Å; S1724-N1726 PolarHBondContact O-N 3.13Å
1725	K	40.9	Very low	46.9	Very low	199 Å²	199	106.5 Å²	106.5	87%	0.865	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.9	178.4	-70.4	-174	175.5	-179.4	0	114.9
1726	N	38.8	Very low	46.7	Very low	157 Å²	157	104 Å²	104	84%	0.84	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	11.7	-164.6	-68.2	6.1	0	0	0	116.4	S1724	S1724-N1726 VanDerWaalsContact C-N 3.29Å; S1724-N1726 PolarHBondContact O-N 3.13Å
1727	K	45.6	Very low	46.6	Very low	96 Å²	96	106.4 Å²	106.4	42%	0.417	51%	0.51	S	S	.	.			trans	-129.3	19.7	176.4	-77.7	-170.9	178.4	178.5	0	115.2	S1673 N1729 Q1730 F1731	S1673-K1727 PolarHBondContact OG-NZ 3.39Å; K1727-N1729 PolarHBondContact O-N 2.96Å; K1727-Q1730 PolarHBondContact O-N 3.11Å; K1727-F1731 HydrophobicContact CB-CD2 4.12Å; K1727-F1731 HydrophobicContact CB-CE2 4.26Å; K1727-F1731 PolarHBondContact O-N 3.35Å
1728	F	42.8	Very low	46.6	Very low	131 Å²	131	106.4 Å²	106.4	58%	0.575	51%	0.513	S	S	*	.	H	α-helix	trans	-47	-50.2	-171.6	-169.7	-105.1	0	0	0	115.2	Q1730 K1732	F1728-Q1730 PolarHBondContact O-N 2.86Å; F1728-K1732 HydrophobicContact CE1-CD 4.37Å; F1728-K1732 WeakPolarHBondContact O-CB 3.33Å; F1728-K1732 PolarHBondContact O-N 3.33Å
1729	N	47.9	Very low	46.4	Very low	125 Å²	125	104.4 Å²	104.4	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-68	-31.2	-173.5	-75.8	-17.9	0	0	0	114.5	K1727 Q1733	K1727-N1729 PolarHBondContact O-N 2.96Å; N1729-Q1733 PolarHBondContact O-N 2.62Å
1730	Q	51.3	Low	46.2	Very low	140 Å²	140	103.1 Å²	103.1	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-81.4	-38.8	-176.2	-161.2	167.4	13.5	0	0	111.6	K1727 F1728 K1732 Q1733 N1734	K1727-Q1730 PolarHBondContact O-N 3.11Å; F1728-Q1730 PolarHBondContact O-N 2.86Å; Q1730-K1732 VanDerWaalsContact C-N 3.32Å; Q1730-K1732 PolarHBondContact O-N 3.1Å; Q1730-Q1733 PolarHBondContact O-N 2.59Å; Q1730-N1734 PolarHBondContact O-N 2.78Å
1731	F	44.3	Very low	46.3	Very low	61 Å²	61	105 Å²	105	27%	0.268	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-39.6	168.4	-83.1	-75.5	0	0	0	111.9	K1727 Q1733 N1734 Y1735	K1727-F1731 HydrophobicContact CB-CD2 4.12Å; K1727-F1731 HydrophobicContact CB-CE2 4.26Å; K1727-F1731 PolarHBondContact O-N 3.35Å; F1731-Q1733 VanDerWaalsContact C-N 3.35Å; F1731-Q1733 PolarHBondContact O-N 3.28Å; F1731-N1734 PolarHBondContact O-N 3.37Å; F1731-Y1735 WeakPolarHBondContact O-CB 3.39Å; F1731-Y1735 PolarHBondContact O-N 2.88Å
1732	K	48.4	Very low	46.3	Very low	112 Å²	112	103 Å²	103	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-41.3	177.1	-173.4	173.6	-178.8	176.7	0	112.9	F1728 Q1730 I1736	F1728-K1732 HydrophobicContact CE1-CD 4.37Å; F1728-K1732 WeakPolarHBondContact O-CB 3.33Å; F1728-K1732 PolarHBondContact O-N 3.33Å; Q1730-K1732 VanDerWaalsContact C-N 3.32Å; Q1730-K1732 PolarHBondContact O-N 3.1Å; K1732-I1736 HydrophobicContact CG-CD1 4.08Å; K1732-I1736 WeakPolarHBondContact O-CD1 3.5Å; K1732-I1736 VanDerWaalsContact O-CG1 3.25Å; K1732-I1736 WeakPolarHBondContact O-CG1 3.26Å; K1732-I1736 PolarHBondContact O-N 3.49Å
1733	Q	51.7	Low	46.5	Very low	115 Å²	115	100.8 Å²	100.8	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-69.8	-44.2	178	-71.1	-67	1.3	0	0	112.7	N1729 Q1730 F1731 Y1735 I1736 E1737	N1729-Q1733 PolarHBondContact O-N 2.62Å; Q1730-Q1733 PolarHBondContact O-N 2.59Å; F1731-Q1733 VanDerWaalsContact C-N 3.35Å; F1731-Q1733 PolarHBondContact O-N 3.28Å; Q1733-Y1735 VanDerWaalsContact C-N 3.28Å; Q1733-Y1735 PolarHBondContact O-N 3.43Å; Q1733-I1736 PolarHBondContact O-N 2.92Å; Q1733-I1736 VanDerWaalsContact O-N 3.16Å; Q1733-E1737 PolarHBondContact O-N 2.87Å
1734	N	45.6	Very low	46.6	Very low	86 Å²	86	101.7 Å²	101.7	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-39.5	176.2	-69.7	6.7	0	0	0	111.5	Q1730 F1731 E1737 I1738	Q1730-N1734 PolarHBondContact O-N 2.78Å; F1731-N1734 PolarHBondContact O-N 3.37Å; N1734-E1737 PolarHBondContact O-N 2.96Å; N1734-I1738 WeakPolarHBondContact O-CG1 3.34Å; N1734-I1738 PolarHBondContact O-N 3.19Å
1735	Y	47.2	Very low	46.8	Very low	71 Å²	71	103 Å²	103	28%	0.278	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.6	-172.4	-107.9	0	0	0	112.6	M1714 F1717 F1731 Q1733 I1738 L1739	M1714-Y1735 HydrophobicContact SD-CE2 4.31Å; M1714-Y1735 PolarHBondContact SD-OH 3.17Å; F1717-Y1735 AromaticContact CD2-CD2 4Å; F1717-Y1735 HydrophobicContact CD2-CD2 4Å; F1717-Y1735 HydrophobicContact CD2-CE2 4.04Å; F1717-Y1735 AromaticContact CE2-CD2 3.93Å; F1717-Y1735 HydrophobicContact CE2-CD2 3.93Å; F1717-Y1735 HydrophobicContact CE2-CE2 4.17Å; F1717-Y1735 HydrophobicContact CE2-CG 4.17Å; F1717-Y1735 HydrophobicContact CG-CE2 4.43Å; F1731-Y1735 WeakPolarHBondContact O-CB 3.39Å; F1731-Y1735 PolarHBondContact O-N 2.88Å; Q1733-Y1735 VanDerWaalsContact C-N 3.28Å; Q1733-Y1735 PolarHBondContact O-N 3.43Å; Y1735-I1738 PolarHBondContact O-N 2.63Å; Y1735-L1739 HydrophobicContact CD1-CD1 3.81Å; Y1735-L1739 HydrophobicContact CD1-CG 4.34Å; Y1735-L1739 HydrophobicContact CE1-CD1 3.49Å; Y1735-L1739 VanDerWaalsContact CE1-CD1 3.49Å; Y1735-L1739 HydrophobicContact CE1-CG 4.11Å; Y1735-L1739 WeakPolarHBondContact O-CB 3.38Å; Y1735-L1739 WeakPolarHBondContact O-CG 3.36Å; Y1735-L1739 PolarHBondContact O-N 3.07Å
1736	I	52.6	Low	47	Very low	57 Å²	57	96.5 Å²	96.5	29%	0.292	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-41	173.7	-73.4	164.3	0	0	0	111.7	K1732 Q1733 L1739 K1740	K1732-I1736 HydrophobicContact CG-CD1 4.08Å; K1732-I1736 WeakPolarHBondContact O-CD1 3.5Å; K1732-I1736 VanDerWaalsContact O-CG1 3.25Å; K1732-I1736 WeakPolarHBondContact O-CG1 3.26Å; K1732-I1736 PolarHBondContact O-N 3.49Å; Q1733-I1736 PolarHBondContact O-N 2.92Å; Q1733-I1736 VanDerWaalsContact O-N 3.16Å; I1736-L1739 PolarHBondContact O-N 2.91Å; I1736-K1740 HydrophobicContact CG2-CD 4.27Å; I1736-K1740 VanDerWaalsContact O-CG 3.31Å; I1736-K1740 WeakPolarHBondContact O-CG 3.47Å; I1736-K1740 PolarHBondContact O-N 3Å
1737	E	49.8	Very low	47.6	Very low	103 Å²	103	93.1 Å²	93.1	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-65.2	-40.2	174.5	-75.3	-65	112.3	0	0	112.5	Q1733 N1734 K1740 T1741	Q1733-E1737 PolarHBondContact O-N 2.87Å; N1734-E1737 PolarHBondContact O-N 2.96Å; E1737-K1740 PolarHBondContact O-N 3.31Å; E1737-K1740 VanDerWaalsContact OE1-CD 3.31Å; E1737-K1740 WeakPolarHBondContact OE1-CD 3.25Å; E1737-K1740 IonicContact OE1-NZ 3.83Å; E1737-K1740 PolarHBondContact OE1-NZ 2.88Å; E1737-T1741 WeakPolarHBondContact O-CB 3.39Å; E1737-T1741 PolarHBondContact O-N 3.39Å; E1737-T1741 PolarHBondContact O-OG1 2.78Å
1738	I	48.8	Very low	47.7	Very low	60 Å²	60	91.4 Å²	91.4	31%	0.308	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-46.7	174.4	-69.6	165.5	0	0	0	110.6	N1734 Y1735 K1740 T1741 I1742	N1734-I1738 WeakPolarHBondContact O-CG1 3.34Å; N1734-I1738 PolarHBondContact O-N 3.19Å; Y1735-I1738 PolarHBondContact O-N 2.63Å; I1738-K1740 PolarHBondContact O-N 3.09Å; I1738-T1741 WeakPolarHBondContact O-CB 3.33Å; I1738-T1741 PolarHBondContact O-N 2.95Å; I1738-T1741 VanDerWaalsContact O-N 3.11Å; I1738-I1742 HydrophobicContact CG2-CD1 3.83Å; I1738-I1742 WeakPolarHBondContact O-CG1 3.39Å; I1738-I1742 PolarHBondContact O-N 3.35Å
1739	L	46.9	Very low	47.8	Very low	69 Å²	69	86.9 Å²	86.9	36%	0.361	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-45	177	-76	177.7	0	0	0	112.5	Y1735 I1736 T1741 I1742 Q1743	Y1735-L1739 HydrophobicContact CD1-CD1 3.81Å; Y1735-L1739 HydrophobicContact CD1-CG 4.34Å; Y1735-L1739 HydrophobicContact CE1-CD1 3.49Å; Y1735-L1739 VanDerWaalsContact CE1-CD1 3.49Å; Y1735-L1739 HydrophobicContact CE1-CG 4.11Å; Y1735-L1739 WeakPolarHBondContact O-CB 3.38Å; Y1735-L1739 WeakPolarHBondContact O-CG 3.36Å; Y1735-L1739 PolarHBondContact O-N 3.07Å; I1736-L1739 PolarHBondContact O-N 2.91Å; L1739-T1741 PolarHBondContact O-N 2.94Å; L1739-I1742 PolarHBondContact O-N 3.43Å; L1739-Q1743 WeakPolarHBondContact O-CB 3.36Å; L1739-Q1743 PolarHBondContact O-N 2.94Å
1740	K	47.3	Very low	47.6	Very low	114 Å²	114	87.4 Å²	87.4	50%	0.496	43%	0.426	S	S	.	.	H	α-helix	trans	-56.7	-39.2	172.9	-73.9	164.2	177.1	167.2	0	112.2	I1736 E1737 I1738 F1744	I1736-K1740 HydrophobicContact CG2-CD 4.27Å; I1736-K1740 VanDerWaalsContact O-CG 3.31Å; I1736-K1740 WeakPolarHBondContact O-CG 3.47Å; I1736-K1740 PolarHBondContact O-N 3Å; E1737-K1740 PolarHBondContact O-N 3.31Å; E1737-K1740 VanDerWaalsContact OE1-CD 3.31Å; E1737-K1740 WeakPolarHBondContact OE1-CD 3.25Å; E1737-K1740 IonicContact OE1-NZ 3.83Å; E1737-K1740 PolarHBondContact OE1-NZ 2.88Å; I1738-K1740 PolarHBondContact O-N 3.09Å; K1740-F1744 WeakPolarHBondContact O-CB 3.11Å; K1740-F1744 PolarHBondContact O-N 3.33Å
1741	T	48.1	Very low	47.6	Very low	70 Å²	70	87.9 Å²	87.9	43%	0.429	42%	0.423	S	S	.	.	H	α-helix	trans	-69.9	-40.3	-179.6	-53.9	0	0	0	0	111.3	E1737 I1738 L1739 L1745	E1737-T1741 WeakPolarHBondContact O-CB 3.39Å; E1737-T1741 PolarHBondContact O-N 3.39Å; E1737-T1741 PolarHBondContact O-OG1 2.78Å; I1738-T1741 WeakPolarHBondContact O-CB 3.33Å; I1738-T1741 PolarHBondContact O-N 2.95Å; I1738-T1741 VanDerWaalsContact O-N 3.11Å; L1739-T1741 PolarHBondContact O-N 2.94Å; T1741-L1745 HydrophobicContact CG2-CD1 4.4Å; T1741-L1745 WeakPolarHBondContact O-CG 3.33Å; T1741-L1745 PolarHBondContact O-N 3.39Å; T1741-L1745 VanDerWaalsContact O-N 3.15Å
1742	I	45.8	Very low	47.9	Very low	61 Å²	61	90.2 Å²	90.2	31%	0.313	43%	0.433	S	S	.	.	H	α-helix	trans	-67.8	-40.7	174.6	-66.1	168.4	0	0	0	111.1	I1738 L1739 L1745 N1746	I1738-I1742 HydrophobicContact CG2-CD1 3.83Å; I1738-I1742 WeakPolarHBondContact O-CG1 3.39Å; I1738-I1742 PolarHBondContact O-N 3.35Å; L1739-I1742 PolarHBondContact O-N 3.43Å; I1742-L1745 PolarHBondContact O-N 2.8Å; I1742-N1746 PolarHBondContact O-N 3.02Å; I1742-N1746 VanDerWaalsContact O-N 3.09Å
1743	Q	48.7	Very low	47.6	Very low	116 Å²	116	91.9 Å²	91.9	54%	0.542	44%	0.437	S	S	.	.	H	α-helix	trans	-56.1	-53.7	174.4	-172	73.7	48.2	0	0	110.5	L1739 L1745 N1746 D1747	L1739-Q1743 WeakPolarHBondContact O-CB 3.36Å; L1739-Q1743 PolarHBondContact O-N 2.94Å; Q1743-L1745 VanDerWaalsContact C-N 3.31Å; Q1743-L1745 PolarHBondContact O-N 3.13Å; Q1743-N1746 WeakPolarHBondContact O-CA 3.16Å; Q1743-N1746 WeakPolarHBondContact O-CB 3.39Å; Q1743-N1746 PolarHBondContact O-N 3.32Å; Q1743-D1747 VanDerWaalsContact O-CG 3.3Å; Q1743-D1747 PolarHBondContact O-N 3.41Å
1744	F	45.9	Very low	47.4	Very low	134 Å²	134	93.8 Å²	93.8	59%	0.588	44%	0.441	S	S	*	.	H	α-helix	trans	-58.8	-39	179.1	-173	-91	0	0	0	113.1	K1740 N1746 D1747 E1748	K1740-F1744 WeakPolarHBondContact O-CB 3.11Å; K1740-F1744 PolarHBondContact O-N 3.33Å; F1744-N1746 VanDerWaalsContact C-N 3.28Å; F1744-N1746 PolarHBondContact O-N 3.06Å; F1744-D1747 PolarHBondContact O-N 2.69Å; F1744-E1748 PolarHBondContact O-N 3.06Å
1745	L	44.1	Very low	47.9	Very low	86 Å²	86	94.1 Å²	94.1	45%	0.45	44%	0.439	S	S	.	.	H	α-helix	trans	-71.3	-17.6	175.7	-72.8	169.3	0	0	0	114.1	T1741 I1742 Q1743 A1749	T1741-L1745 HydrophobicContact CG2-CD1 4.4Å; T1741-L1745 WeakPolarHBondContact O-CG 3.33Å; T1741-L1745 PolarHBondContact O-N 3.39Å; T1741-L1745 VanDerWaalsContact O-N 3.15Å; I1742-L1745 PolarHBondContact O-N 2.8Å; Q1743-L1745 VanDerWaalsContact C-N 3.31Å; Q1743-L1745 PolarHBondContact O-N 3.13Å; L1745-A1749 WeakPolarHBondContact O-CB 3.28Å
1746	N	46.5	Very low	48.3	Very low	63 Å²	63	96.6 Å²	96.6	34%	0.337	46%	0.457	S	S	.	.	H	α-helix	trans	-88.2	-38.3	169.6	-74.6	-19.6	0	0	0	111.2	K1706 I1742 Q1743 F1744 A1749 H1750	K1706-N1746 PolarHBondContact NZ-OD1 2.9Å; I1742-N1746 PolarHBondContact O-N 3.02Å; I1742-N1746 VanDerWaalsContact O-N 3.09Å; Q1743-N1746 WeakPolarHBondContact O-CA 3.16Å; Q1743-N1746 WeakPolarHBondContact O-CB 3.39Å; Q1743-N1746 PolarHBondContact O-N 3.32Å; F1744-N1746 VanDerWaalsContact C-N 3.28Å; F1744-N1746 PolarHBondContact O-N 3.06Å; N1746-A1749 PolarHBondContact O-N 3.42Å; N1746-H1750 WeakPolarHBondContact O-CB 3.42Å; N1746-H1750 PolarHBondContact O-CD2 3.27Å; N1746-H1750 PolarHBondContact O-N 3.31Å
1747	D	49.5	Very low	47.8	Very low	85 Å²	85	96.5 Å²	96.5	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.8	-61.1	-28.3	0	0	0	111.5	Q1743 F1744 A1749 H1750 Y1751	Q1743-D1747 VanDerWaalsContact O-CG 3.3Å; Q1743-D1747 PolarHBondContact O-N 3.41Å; F1744-D1747 PolarHBondContact O-N 2.69Å; D1747-A1749 PolarHBondContact O-N 3.23Å; D1747-H1750 PolarHBondContact O-N 2.98Å; D1747-Y1751 WeakPolarHBondContact O-CB 3.38Å; D1747-Y1751 PolarHBondContact O-N 3.42Å
1748	E	49.1	Very low	48.2	Very low	60 Å²	60	94.4 Å²	94.4	28%	0.28	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-38.4	173.4	-165.2	-166.9	143	0	0	112.1	F1744 Y1751 K1752	F1744-E1748 PolarHBondContact O-N 3.06Å; E1748-Y1751 PolarHBondContact O-N 3.34Å; E1748-K1752 PolarHBondContact O-N 3.11Å; E1748-K1752 WeakPolarHBondContact OE1-CE 3.33Å; E1748-K1752 IonicContact OE1-NZ 2.6Å; E1748-K1752 PolarHBondContact OE1-NZ 3.08Å
1749	A	44.4	Very low	48.8	Very low	36 Å²	36	95.5 Å²	95.5	30%	0.298	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-40	177.1	0	0	0	0	0	111.9	L1745 N1746 D1747 K1752 Y1753	L1745-A1749 WeakPolarHBondContact O-CB 3.28Å; N1746-A1749 PolarHBondContact O-N 3.42Å; D1747-A1749 PolarHBondContact O-N 3.23Å; A1749-K1752 PolarHBondContact O-N 3.36Å; A1749-Y1753 WeakPolarHBondContact O-CB 3.3Å; A1749-Y1753 PolarHBondContact O-N 3.05Å
1750	H	44.3	Very low	49.1	Very low	137 Å²	137	100.2 Å²	100.2	63%	0.634	47%	0.473	S	S	*	.	H	α-helix	trans	-64.5	-41.2	173	-82.8	-147.7	0	0	0	111.5	N1746 D1747 Y1753 Y1754	N1746-H1750 WeakPolarHBondContact O-CB 3.42Å; N1746-H1750 PolarHBondContact O-CD2 3.27Å; N1746-H1750 PolarHBondContact O-N 3.31Å; D1747-H1750 PolarHBondContact O-N 2.98Å; H1750-Y1753 PolarHBondContact O-N 3.32Å; H1750-Y1754 WeakPolarHBondContact O-CB 3.49Å; H1750-Y1754 PolarHBondContact O-N 2.76Å
1751	Y	50.8	Low	49.5	Very low	149 Å²	149	100.6 Å²	100.6	58%	0.584	48%	0.475	S	S	*	.	H	α-helix	trans	-61.1	-48.7	174.9	-178.1	-86	0	0	0	111.8	D1747 E1748 Y1753 Y1754 E1755	D1747-Y1751 WeakPolarHBondContact O-CB 3.38Å; D1747-Y1751 PolarHBondContact O-N 3.42Å; E1748-Y1751 PolarHBondContact O-N 3.34Å; Y1751-Y1753 PolarHBondContact O-N 3.13Å; Y1751-Y1754 PolarHBondContact O-N 3.43Å; Y1751-E1755 WeakPolarHBondContact O-CB 3.31Å; Y1751-E1755 PolarHBondContact O-N 3.46Å
1752	K	49.6	Very low	50.3	Low	110 Å²	110	100.8 Å²	100.8	48%	0.478	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-35.3	178.2	-76.4	174	173.4	169.8	0	113	E1748 A1749 L1756	E1748-K1752 PolarHBondContact O-N 3.11Å; E1748-K1752 WeakPolarHBondContact OE1-CE 3.33Å; E1748-K1752 IonicContact OE1-NZ 2.6Å; E1748-K1752 PolarHBondContact OE1-NZ 3.08Å; A1749-K1752 PolarHBondContact O-N 3.36Å; K1752-L1756 WeakPolarHBondContact O-CB 3.4Å; K1752-L1756 PolarHBondContact O-N 2.77Å
1753	Y	43.9	Very low	51.3	Low	148 Å²	148	102.7 Å²	102.7	58%	0.58	48%	0.484	S	S	*	.	H	α-helix	trans	-64.4	-45.7	171.7	178.5	-103.2	0	0	0	111.4	A1749 H1750 Y1751 E1755 L1756 C1757	A1749-Y1753 WeakPolarHBondContact O-CB 3.3Å; A1749-Y1753 PolarHBondContact O-N 3.05Å; H1750-Y1753 PolarHBondContact O-N 3.32Å; Y1751-Y1753 PolarHBondContact O-N 3.13Å; Y1753-E1755 PolarHBondContact O-N 3.41Å; Y1753-L1756 WeakPolarHBondContact O-CB 3.27Å; Y1753-L1756 PolarHBondContact O-N 3.2Å; Y1753-C1757 VanDerWaalsContact CZ-SG 3.56Å; Y1753-C1757 PolarHBondContact O-N 3.06Å; Y1753-C1757 PolarHBondContact O-SG 3.09Å; Y1753-C1757 VanDerWaalsContact O-SG 3.35Å
1754	Y	45.7	Very low	51.8	Low	155 Å²	155	101.3 Å²	101.3	61%	0.608	48%	0.479	S	S	*	.	H	α-helix	trans	-61.2	-42.5	176	-174.5	-97.4	0	0	0	112	H1750 Y1751 C1757 N1758	H1750-Y1754 WeakPolarHBondContact O-CB 3.49Å; H1750-Y1754 PolarHBondContact O-N 2.76Å; Y1751-Y1754 PolarHBondContact O-N 3.43Å; Y1754-C1757 PolarHBondContact O-N 2.9Å; Y1754-N1758 WeakPolarHBondContact O-CB 3.33Å; Y1754-N1758 PolarHBondContact O-N 2.72Å
1755	E	58	Low	52.7	Low	93 Å²	93	98.3 Å²	98.3	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-62	-43	174.8	-176.5	169.2	-152.1	0	0	112.2	Y1751 Y1753 N1758 N1759	Y1751-E1755 WeakPolarHBondContact O-CB 3.31Å; Y1751-E1755 PolarHBondContact O-N 3.46Å; Y1753-E1755 PolarHBondContact O-N 3.41Å; E1755-N1758 PolarHBondContact O-N 2.69Å; E1755-N1759 WeakPolarHBondContact O-CB 3.43Å; E1755-N1759 PolarHBondContact O-N 2.99Å; E1755-N1759 PolarHBondContact O-ND2 3.45Å; E1755-N1759 VanDerWaalsContact O-ND2 3.16Å
1756	L	54.2	Low	53.8	Low	123 Å²	123	100.5 Å²	100.5	64%	0.644	48%	0.475	S	S	*	.	H	α-helix	trans	-60.7	-47.3	172.3	-91	165.7	0	0	0	112.2	K1752 Y1753 N1758 N1759 Y1760	K1752-L1756 WeakPolarHBondContact O-CB 3.4Å; K1752-L1756 PolarHBondContact O-N 2.77Å; Y1753-L1756 WeakPolarHBondContact O-CB 3.27Å; Y1753-L1756 PolarHBondContact O-N 3.2Å; L1756-N1758 VanDerWaalsContact C-N 3.33Å; L1756-N1758 PolarHBondContact O-N 3.48Å; L1756-N1759 PolarHBondContact O-N 3.37Å; L1756-Y1760 WeakPolarHBondContact O-CB 3.38Å; L1756-Y1760 PolarHBondContact O-N 3.04Å
1757	C	42.9	Very low	54.7	Low	54 Å²	54	103.3 Å²	103.3	37%	0.365	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-39.8	176.9	-71.4	0	0	0	0	112.2	Y1753 Y1754 Y1760 K1761	Y1753-C1757 VanDerWaalsContact CZ-SG 3.56Å; Y1753-C1757 PolarHBondContact O-N 3.06Å; Y1753-C1757 PolarHBondContact O-SG 3.09Å; Y1753-C1757 VanDerWaalsContact O-SG 3.35Å; Y1754-C1757 PolarHBondContact O-N 2.9Å; C1757-Y1760 PolarHBondContact O-N 2.92Å; C1757-K1761 VanDerWaalsContact O-CB 3.27Å; C1757-K1761 WeakPolarHBondContact O-CB 3.48Å; C1757-K1761 PolarHBondContact O-N 3.13Å
1758	N	57.9	Low	55.1	Low	60 Å²	60	107 Å²	107	32%	0.321	49%	0.494	S	S	.	.	H	α-helix	trans	-70.4	-38.7	178.4	-133.7	11.4	0	0	0	111.4	Y1754 E1755 L1756 K1761 N1762	Y1754-N1758 WeakPolarHBondContact O-CB 3.33Å; Y1754-N1758 PolarHBondContact O-N 2.72Å; E1755-N1758 PolarHBondContact O-N 2.69Å; L1756-N1758 VanDerWaalsContact C-N 3.33Å; L1756-N1758 PolarHBondContact O-N 3.48Å; N1758-K1761 PolarHBondContact O-N 2.94Å; N1758-N1762 WeakPolarHBondContact O-CB 3.43Å; N1758-N1762 PolarHBondContact O-N 3.36Å; N1758-N1762 PolarHBondContact O-ND2 2.64Å; N1758-N1762 PolarHBondContact O-OD1 3.48Å
1759	N	61.9	Low	56.1	Low	82 Å²	82	109.4 Å²	109.4	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-40.2	173.2	-77.1	-38.1	0	0	0	112.3	E1755 L1756 N1762 N1763	E1755-N1759 WeakPolarHBondContact O-CB 3.43Å; E1755-N1759 PolarHBondContact O-N 2.99Å; E1755-N1759 PolarHBondContact O-ND2 3.45Å; E1755-N1759 VanDerWaalsContact O-ND2 3.16Å; L1756-N1759 PolarHBondContact O-N 3.37Å; N1759-N1762 PolarHBondContact O-N 2.95Å; N1759-N1763 WeakPolarHBondContact O-CB 3.12Å; N1759-N1763 PolarHBondContact O-N 3.44Å
1760	Y	52.2	Low	57.2	Low	169 Å²	169	112.6 Å²	112.6	66%	0.663	52%	0.518	S	S	*	.	H	α-helix	trans	-64.6	-44	174.9	-165.3	-108.7	0	0	0	111.5	L1756 C1757 N1762 N1763 I1764	L1756-Y1760 WeakPolarHBondContact O-CB 3.38Å; L1756-Y1760 PolarHBondContact O-N 3.04Å; C1757-Y1760 PolarHBondContact O-N 2.92Å; Y1760-N1762 PolarHBondContact O-N 3.09Å; Y1760-N1763 PolarHBondContact O-N 3.27Å; Y1760-I1764 HydrophobicContact CD1-CD1 3.77Å; Y1760-I1764 HydrophobicContact CE1-CD1 3.57Å; Y1760-I1764 HydrophobicContact CE1-CG1 4.49Å; Y1760-I1764 WeakPolarHBondContact O-CG1 3.27Å; Y1760-I1764 PolarHBondContact O-N 3.23Å
1761	K	56	Low	58.1	Low	122 Å²	122	109.8 Å²	109.8	53%	0.53	51%	0.508	S	S	.	.	H	α-helix	trans	-57.9	-46.2	171.5	178.5	-175.3	175	-173.5	0	112.1	C1757 N1758 N1763 I1764 I1765	C1757-K1761 VanDerWaalsContact O-CB 3.27Å; C1757-K1761 WeakPolarHBondContact O-CB 3.48Å; C1757-K1761 PolarHBondContact O-N 3.13Å; N1758-K1761 PolarHBondContact O-N 2.94Å; K1761-N1763 VanDerWaalsContact C-N 3.32Å; K1761-N1763 PolarHBondContact O-N 3.06Å; K1761-I1764 PolarHBondContact O-N 3.3Å; K1761-I1765 HydrophobicContact CG-CD1 3.94Å; K1761-I1765 VanDerWaalsContact O-CG1 3.31Å; K1761-I1765 WeakPolarHBondContact O-CG1 3.5Å; K1761-I1765 PolarHBondContact O-N 2.92Å
1762	N	65.6	Low	58.4	Low	73 Å²	73	108.8 Å²	108.8	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-33.9	178.8	-69.7	-20	0	0	0	112.3	N1758 N1759 Y1760 K1766	N1758-N1762 WeakPolarHBondContact O-CB 3.43Å; N1758-N1762 PolarHBondContact O-N 3.36Å; N1758-N1762 PolarHBondContact O-ND2 2.64Å; N1758-N1762 PolarHBondContact O-OD1 3.48Å; N1759-N1762 PolarHBondContact O-N 2.95Å; Y1760-N1762 PolarHBondContact O-N 3.09Å; N1762-K1766 WeakPolarHBondContact O-CG 3.45Å; N1762-K1766 PolarHBondContact O-N 3.43Å
1763	N	66.7	Low	58.8	Low	101 Å²	101	109.8 Å²	109.8	54%	0.54	51%	0.513	S	S	.	.	H	α-helix	trans	-69	-41.8	173	-73.7	-15	0	0	0	111.8	N1759 Y1760 K1761 I1765 K1766 Q1767	N1759-N1763 WeakPolarHBondContact O-CB 3.12Å; N1759-N1763 PolarHBondContact O-N 3.44Å; Y1760-N1763 PolarHBondContact O-N 3.27Å; K1761-N1763 VanDerWaalsContact C-N 3.32Å; K1761-N1763 PolarHBondContact O-N 3.06Å; N1763-I1765 VanDerWaalsContact C-N 3.34Å; N1763-K1766 PolarHBondContact O-N 2.98Å; N1763-Q1767 VanDerWaalsContact O-CB 3.32Å; N1763-Q1767 WeakPolarHBondContact O-CB 3.49Å; N1763-Q1767 PolarHBondContact O-N 3.11Å
1764	I	58.4	Low	59.1	Low	87 Å²	87	108.9 Å²	108.9	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-41.9	173.4	-70.7	169.4	0	0	0	111	Y1760 K1761 Q1767 Y1768	Y1760-I1764 HydrophobicContact CD1-CD1 3.77Å; Y1760-I1764 HydrophobicContact CE1-CD1 3.57Å; Y1760-I1764 HydrophobicContact CE1-CG1 4.49Å; Y1760-I1764 WeakPolarHBondContact O-CG1 3.27Å; Y1760-I1764 PolarHBondContact O-N 3.23Å; K1761-I1764 PolarHBondContact O-N 3.3Å; I1764-Q1767 PolarHBondContact O-N 3.48Å; I1764-Y1768 WeakPolarHBondContact O-CB 3.45Å; I1764-Y1768 PolarHBondContact O-N 3.47Å
1765	I	64.4	Low	59.1	Low	71 Å²	71	105.8 Å²	105.8	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-49.7	176.1	-70.6	166.1	0	0	0	110.4	K1761 N1763 Q1767 Y1768 E1769	K1761-I1765 HydrophobicContact CG-CD1 3.94Å; K1761-I1765 VanDerWaalsContact O-CG1 3.31Å; K1761-I1765 WeakPolarHBondContact O-CG1 3.5Å; K1761-I1765 PolarHBondContact O-N 2.92Å; N1763-I1765 VanDerWaalsContact C-N 3.34Å; I1765-Q1767 VanDerWaalsContact C-N 3.3Å; I1765-Q1767 PolarHBondContact O-N 3.05Å; I1765-Y1768 CarbonylContact O-C 2.94Å; I1765-Y1768 PolarHBondContact O-N 2.85Å; I1765-E1769 HydrophobicContact CG2-CG 4.31Å; I1765-E1769 WeakPolarHBondContact O-CB 3.34Å; I1765-E1769 WeakPolarHBondContact O-CG 3.46Å; I1765-E1769 PolarHBondContact O-N 3.37Å
1766	K	67.8	Low	58.6	Low	132 Å²	132	107.8 Å²	107.8	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-60.2	-37.8	175.7	-78.4	-175.8	172.9	-172.6	0	113.4	N1762 N1763 E1769 N1770	N1762-K1766 WeakPolarHBondContact O-CG 3.45Å; N1762-K1766 PolarHBondContact O-N 3.43Å; N1763-K1766 PolarHBondContact O-N 2.98Å; K1766-E1769 PolarHBondContact O-N 3.21Å; K1766-N1770 WeakPolarHBondContact O-CB 3.36Å; K1766-N1770 PolarHBondContact O-N 3.38Å; K1766-N1770 PolarHBondContact O-ND2 3.36Å; K1766-N1770 PolarHBondContact O-OD1 2.75Å
1767	Q	66.3	Low	58.1	Low	123 Å²	123	108.6 Å²	108.6	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-66.1	-44.4	177.2	-169.6	166.4	-1.7	0	0	110.3	N1763 I1764 I1765 N1770 D1771	N1763-Q1767 VanDerWaalsContact O-CB 3.32Å; N1763-Q1767 WeakPolarHBondContact O-CB 3.49Å; N1763-Q1767 PolarHBondContact O-N 3.11Å; I1764-Q1767 PolarHBondContact O-N 3.48Å; I1765-Q1767 VanDerWaalsContact C-N 3.3Å; I1765-Q1767 PolarHBondContact O-N 3.05Å; Q1767-N1770 PolarHBondContact O-N 3.06Å; Q1767-D1771 WeakPolarHBondContact O-CB 3.47Å; Q1767-D1771 PolarHBondContact O-N 3.29Å
1768	Y	57.7	Low	58.2	Low	162 Å²	162	110.5 Å²	110.5	64%	0.635	53%	0.525	S	S	*	.	H	α-helix	trans	-67.6	-33.1	175.6	-164.6	-99.4	0	0	0	113.4	I1764 I1765 K1772	I1764-Y1768 WeakPolarHBondContact O-CB 3.45Å; I1764-Y1768 PolarHBondContact O-N 3.47Å; I1765-Y1768 CarbonylContact O-C 2.94Å; I1765-Y1768 PolarHBondContact O-N 2.85Å; Y1768-K1772 WeakPolarHBondContact O-CB 3.27Å; Y1768-K1772 PolarHBondContact O-N 2.77Å
1769	E	68.6	Low	57.3	Low	111 Å²	111	113.8 Å²	113.8	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-67.4	-48.1	172.6	-74.4	171.2	156.8	0	0	110.9	I1765 K1766 D1771 K1772 E1773	I1765-E1769 HydrophobicContact CG2-CG 4.31Å; I1765-E1769 WeakPolarHBondContact O-CB 3.34Å; I1765-E1769 WeakPolarHBondContact O-CG 3.46Å; I1765-E1769 PolarHBondContact O-N 3.37Å; K1766-E1769 PolarHBondContact O-N 3.21Å; E1769-D1771 PolarHBondContact O-N 3.15Å; E1769-K1772 PolarHBondContact O-N 3.49Å; E1769-K1772 VanDerWaalsContact O-N 3.12Å; E1769-E1773 PolarHBondContact O-N 2.75Å
1770	N	68.1	Low	56.1	Low	103 Å²	103	116.9 Å²	116.9	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-59.2	-46	173.6	-69.2	-14.2	0	0	0	111.8	K1766 Q1767 K1772 E1773 F1774	K1766-N1770 WeakPolarHBondContact O-CB 3.36Å; K1766-N1770 PolarHBondContact O-N 3.38Å; K1766-N1770 PolarHBondContact O-ND2 3.36Å; K1766-N1770 PolarHBondContact O-OD1 2.75Å; Q1767-N1770 PolarHBondContact O-N 3.06Å; N1770-K1772 PolarHBondContact O-N 2.99Å; N1770-E1773 PolarHBondContact O-N 2.78Å; N1770-F1774 VanDerWaalsContact O-CB 3.29Å; N1770-F1774 WeakPolarHBondContact O-CB 3.06Å; N1770-F1774 PolarHBondContact O-N 3.14Å
1771	D	64.1	Low	55.3	Low	78 Å²	78	117.7 Å²	117.7	42%	0.417	57%	0.569	S	S	.	*	H	α-helix	trans	-62.2	-32.6	177.2	-70.3	-25	0	0	0	110.9	Q1767 E1769 N1775	Q1767-D1771 WeakPolarHBondContact O-CB 3.47Å; Q1767-D1771 PolarHBondContact O-N 3.29Å; E1769-D1771 PolarHBondContact O-N 3.15Å; D1771-N1775 WeakPolarHBondContact O-CB 3.47Å; D1771-N1775 PolarHBondContact O-N 3.15Å; D1771-N1775 PolarHBondContact O-ND2 3.29Å
1772	K	57	Low	53.9	Low	127 Å²	127	117 Å²	117	55%	0.552	58%	0.58	S	S	*	*	H	α-helix	trans	-75.8	-39.5	178.1	-165.9	174.8	-175.5	-177.4	0	112.8	Y1768 E1769 N1770 Q1776	Y1768-K1772 WeakPolarHBondContact O-CB 3.27Å; Y1768-K1772 PolarHBondContact O-N 2.77Å; E1769-K1772 PolarHBondContact O-N 3.49Å; E1769-K1772 VanDerWaalsContact O-N 3.12Å; N1770-K1772 PolarHBondContact O-N 2.99Å; K1772-Q1776 WeakPolarHBondContact O-CG 3.4Å; K1772-Q1776 PolarHBondContact O-N 3.12Å
1773	E	57.2	Low	52.3	Low	132 Å²	132	119.6 Å²	119.6	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-64.1	-42.7	170.4	-70.9	-168.5	152.6	0	0	111.3	E1769 N1770 N1775 Q1776 L1777	E1769-E1773 PolarHBondContact O-N 2.75Å; N1770-E1773 PolarHBondContact O-N 2.78Å; E1773-N1775 PolarHBondContact O-N 3.25Å; E1773-Q1776 PolarHBondContact O-N 3.13Å; E1773-Q1776 VanDerWaalsContact O-N 3.15Å; E1773-L1777 PolarHBondContact O-N 3.5Å
1774	F	51.3	Low	50.7	Low	129 Å²	129	121.3 Å²	121.3	57%	0.566	61%	0.612	S	S	*	*	H	α-helix	trans	-61.5	-44	176.6	-168	-110.2	0	0	0	111.9	N1770 Q1776 L1777 I1778	N1770-F1774 VanDerWaalsContact O-CB 3.29Å; N1770-F1774 WeakPolarHBondContact O-CB 3.06Å; N1770-F1774 PolarHBondContact O-N 3.14Å; F1774-Q1776 VanDerWaalsContact C-N 3.34Å; F1774-Q1776 PolarHBondContact O-N 3.14Å; F1774-L1777 PolarHBondContact O-N 3.04Å; F1774-I1778 HydrophobicContact CD1-CD1 3.72Å; F1774-I1778 HydrophobicContact CE1-CD1 3.42Å; F1774-I1778 VanDerWaalsContact CE1-CD1 3.42Å; F1774-I1778 HydrophobicContact CE2-CD1 4.36Å; F1774-I1778 HydrophobicContact CG-CD1 4.31Å; F1774-I1778 HydrophobicContact CZ-CD1 3.78Å; F1774-I1778 WeakPolarHBondContact O-CG1 3.37Å; F1774-I1778 PolarHBondContact O-N 2.84Å
1775	N	44.6	Very low	49.2	Very low	89 Å²	89	125.5 Å²	125.5	48%	0.476	63%	0.632	S	S	.	*	H	α-helix	trans	-69.1	-27	174.3	-80.7	-71.2	0	0	0	113.3	D1771 E1773 N1779	D1771-N1775 WeakPolarHBondContact O-CB 3.47Å; D1771-N1775 PolarHBondContact O-N 3.15Å; D1771-N1775 PolarHBondContact O-ND2 3.29Å; E1773-N1775 PolarHBondContact O-N 3.25Å; N1775-N1779 PolarHBondContact O-ND2 3.47Å
1776	Q	46.7	Very low	47.8	Very low	136 Å²	136	127.1 Å²	127.1	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-75.2	-30.7	172.8	-78.2	-173	-34.8	0	0	113	K1772 E1773 F1774	K1772-Q1776 WeakPolarHBondContact O-CG 3.4Å; K1772-Q1776 PolarHBondContact O-N 3.12Å; E1773-Q1776 PolarHBondContact O-N 3.13Å; E1773-Q1776 VanDerWaalsContact O-N 3.15Å; F1774-Q1776 VanDerWaalsContact C-N 3.34Å; F1774-Q1776 PolarHBondContact O-N 3.14Å
1777	L	44.6	Very low	46.1	Very low	139 Å²	139	126.6 Å²	126.6	73%	0.728	66%	0.655	S	S	*	*	H	α-helix	trans	-71.7	-31.5	173.7	-78.7	162.8	0	0	0	113.2	E1773 F1774	E1773-L1777 PolarHBondContact O-N 3.5Å; F1774-L1777 PolarHBondContact O-N 3.04Å
1778	I	45.2	Very low	44.3	Very low	95 Å²	95	128.3 Å²	128.3	49%	0.487	67%	0.665	S	S	.	*	H	α-helix	trans	-79.7	-25.9	-176.9	-72.7	171.1	0	0	0	113.3	F1774 N1780	F1774-I1778 HydrophobicContact CD1-CD1 3.72Å; F1774-I1778 HydrophobicContact CE1-CD1 3.42Å; F1774-I1778 VanDerWaalsContact CE1-CD1 3.42Å; F1774-I1778 HydrophobicContact CE2-CD1 4.36Å; F1774-I1778 HydrophobicContact CG-CD1 4.31Å; F1774-I1778 HydrophobicContact CZ-CD1 3.78Å; F1774-I1778 WeakPolarHBondContact O-CG1 3.37Å; F1774-I1778 PolarHBondContact O-N 2.84Å; I1778-N1780 PolarHBondContact O-N 3.1Å; I1778-N1780 VanDerWaalsContact O-N 3.11Å
1779	N	39	Very low	42.8	Very low	129 Å²	129	127.2 Å²	127.2	69%	0.69	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	13.9	-176.1	-83.5	-70.1	0	0	0	115.4	N1775	N1775-N1779 PolarHBondContact O-ND2 3.47Å
1780	N	36.9	Very low	40.8	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	1.1	-175.9	-90.4	-19.1	0	0	0	115.6	I1778	I1778-N1780 PolarHBondContact O-N 3.1Å; I1778-N1780 VanDerWaalsContact O-N 3.11Å
1781	E	34.3	Very low	39.3	Very low	187 Å²	187	127.4 Å²	127.4	87%	0.874	69%	0.688	S	S	*	*	S	Bend	trans	-122.9	153.2	167.7	-69.2	-165.9	150.5	0	0	110.7
1782	S	27.7	Very low	37.5	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	70%	0.704	S	S	*	*			trans	-137.5	160.2	-162	66.3	0	0	0	0	114.2
1783	V	31.4	Very low	36.1	Very low	126 Å²	126	132.2 Å²	132.2	76%	0.764	71%	0.713	S	S	*	*			trans	90.7	132.4	167.7	-174.1	0	0	0	0	117.7
1784	T	32.9	Very low	34.7	Very low	137 Å²	137	131.4 Å²	131.4	84%	0.84	72%	0.718	S	S	*	*			trans	84.6	130	167.2	34.2	0	0	0	0	121.5
1785	M	27	Very low	33.6	Very low	176 Å²	176	131.7 Å²	131.7	87%	0.867	72%	0.724	S	S	*	*			trans	-124	169.9	178	-79.7	-88.6	-76.6	0	0	107.9
1786	P	34.8	Very low	32.9	Very low	105 Å²	105	133.9 Å²	133.9	68%	0.682	73%	0.731	S	S	*	*			cis	-119	-142.9	10.5	27.7	-2.3	0	0	0	111.5
1787	T	32.5	Very low	32.2	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	73%	0.732	S	S	*	*			cis	-162.7	167.7	20.7	-26.1	0	0	0	0	114.1
1788	M	27.8	Very low	31.4	Very low	159 Å²	159	137.4 Å²	137.4	78%	0.783	73%	0.733	S	S	*	*			trans	-55.1	157.8	167.6	-56.4	-61.2	-178.1	0	0	114
1789	L	26.7	Very low	30.7	Very low	139 Å²	139	139.2 Å²	139.2	73%	0.728	74%	0.74	S	S	*	*			cis	-164.7	120	-2.2	-121.4	167.7	0	0	0	111.9
1790	S	26.9	Very low	30.2	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	75%	0.747	S	S	*	*			trans	62.3	174	155.5	72.9	0	0	0	0	119.7
1791	P	36.2	Very low	29.7	Very low	109 Å²	109	142.2 Å²	142.2	71%	0.708	74%	0.744	S	S	*	*				-135.5	-171.9	-66.4	42	-26.2	0	0	0	114.9
1792	I	26.9	Very low	29.5	Very low	145 Å²	145	142.8 Å²	142.8	74%	0.744	74%	0.743	S	S	*	*			trans	87.6	105.8	160	-66.2	171.5	0	0	0	119.4
1793	E	27.2	Very low	29.6	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.752	75%	0.748	S	S	*	*			trans	64.2	127	133.7	-63.9	-168	139.5	0	0	125.7
1794	T	28.6	Very low	29.3	Very low	116 Å²	116	142.5 Å²	142.5	71%	0.712	75%	0.747	S	S	*	*				101.7	124.4	125.8	46.1	0	0	0	0	125.2
1795	L	27.4	Very low	29.1	Very low	134 Å²	134	145.6 Å²	145.6	70%	0.702	75%	0.749	S	S	*	*			trans	91.5	93.9	135	-68.7	166.7	0	0	0	123
1796	Q	30.8	Very low	29	Very low	135 Å²	135	141.7 Å²	141.7	63%	0.631	74%	0.739	S	S	*	*				84.5	105.7	120.8	-76.6	-169.3	46.7	0	0	123.3
1797	K	30.6	Very low	28.6	Very low	151 Å²	151	142 Å²	142	66%	0.657	74%	0.743	S	S	*	*				89.4	143.6	113.8	-83.4	-179.8	-168.5	156.1	0	121.7
1798	R	29.6	Very low	28.3	Very low	198 Å²	198	145 Å²	145	75%	0.747	75%	0.746	S	S	*	*			trans	79	142.4	141.6	-83	-179.1	152.5	160.1	-5.2	118
1799	E	28.7	Very low	28.3	Very low	134 Å²	134	143.5 Å²	143.5	63%	0.626	75%	0.751	S	S	*	*			cis	-166.3	180	-12.6	-142	166	-133.6	0	0	109.5
1800	R	29.1	Very low	28.4	Very low	221 Å²	221	140 Å²	140	83%	0.834	75%	0.749	S	S	*	*			trans	82.4	149.7	167.8	-51.9	-177.8	174.2	177	-2.5	118.1
1801	T	25.9	Very low	28.6	Very low	117 Å²	117	139.9 Å²	139.9	72%	0.718	75%	0.748	S	S	*	*			cis	-166.5	169.7	-27.3	34.6	0	0	0	0	110.3
1802	K	30.8	Very low	28.4	Very low	199 Å²	199	141 Å²	141	87%	0.865	75%	0.747	S	S	*	*			trans	92.5	140	170.1	-58.1	176.9	-177.5	176.6	0	114.8
1803	S	30.1	Very low	28.8	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	75%	0.748	S	S	*	*			cis	-152.5	166.3	-6	40.5	0	0	0	0	112.6
1804	S	25.8	Very low	29.1	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	75%	0.75	S	S	*	*			trans	-107	-179.1	-176.3	57	0	0	0	0	113.6
1805	K	28.5	Very low	29.4	Very low	203 Å²	203	144.3 Å²	144.3	88%	0.883	75%	0.749	S	S	*	*			trans	93.1	152.6	175.2	-60.5	179.8	-179.9	-179.6	0	116.5
1806	S	24.8	Very low	29.6	Very low	94 Å²	94	146.8 Å²	146.8	66%	0.657	75%	0.754	S	S	*	*			cis	-176	135	-33.4	53.9	0	0	0	0	111.7
1807	S	25.1	Very low	29.7	Very low	111 Å²	111	151.7 Å²	151.7	78%	0.776	78%	0.783	S	S	*	*			trans	66.7	165	164.7	81.7	0	0	0	0	116.3
1808	K	27.2	Very low	29.7	Very low	184 Å²	184	151.8 Å²	151.8	80%	0.8	79%	0.789	S	S	*	*			cis	-159.7	151.4	12.7	-150.7	168.3	-174.3	178.7	0	112.4
1809	S	27.8	Very low	29.7	Very low	128 Å²	128	149.3 Å²	149.3	90%	0.895	79%	0.791	S	S	*	*			trans	64.2	166.2	168.2	75.9	0	0	0	0	117.7
1810	G	29.3	Very low	29.7	Very low	65 Å²	65	150.2 Å²	150.2	67%	0.67	80%	0.8	S	S	*	*			trans	163.7	-38.4	171.2	0	0	0	0	0	119.9
1811	S	30.4	Very low	29.8	Very low	105 Å²	105	146 Å²	146	73%	0.734	80%	0.798	S	S	*	*			trans	62.2	145.6	173.8	82.2	0	0	0	0	120.7
1812	N	31.2	Very low	30	Very low	132 Å²	132	147.8 Å²	147.8	71%	0.706	80%	0.803	S	S	*	*			trans	76.9	127	149.1	-79.9	-54.7	0	0	0	123.6
1813	K	35	Very low	29.9	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.765	80%	0.799	S	S	*	*			trans	75	103.5	136.9	-70.2	174.9	-177.3	173.6	0	121.1
1814	K	35.2	Very low	29.9	Very low	181 Å²	181	146 Å²	146	79%	0.787	80%	0.795	S	S	*	*				84.1	124.1	117.5	-84.4	-172.4	165.7	-169.9	0	120.8
1815	I	33.6	Very low	30.2	Very low	135 Å²	135	149.2 Å²	149.2	69%	0.692	80%	0.8	S	S	*	*			trans	82.6	107.8	138	-62.9	166.9	0	0	0	117.3
1816	K	32.6	Very low	30.4	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	79%	0.793	S	S	*	*			trans	36.3	113.3	142.8	-58.9	-178.5	177.4	-175.5	0	118.3
1817	I	32.4	Very low	30.9	Very low	238 Å²	238	149.3 Å²	149.3	100%	1.221	81%	0.805	S	S	*	*				-110.4	0	86.2	-65.5	-174.4	0	0	0	107.3

Retrieved 1,817 of 1,817 residues in 2342.2 ms (Link to these results)

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